Browse entries in the PDBbind-CN Database
HEADER 5YPP_COMPLEX COMPND 5YPP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 90 ASP ASN VAL ILE LEU GLU LEU THR VAL ARG ASN HIS PRO SEQRES 2 A 90 GLY VAL MET THR HIS VAL CYS GLY LEU PHE ALA ARG ARG SEQRES 3 A 90 ALA PHE ASN VAL GLU GLY ILE LEU CYS LEU PRO ILE GLN SEQRES 4 A 90 ASP SER ASP LYS SER HIS ILE TRP LEU LEU VAL ASN ASP SEQRES 5 A 90 ASP GLN ARG LEU GLU GLN MET ILE SER GLN ILE ASP LYS SEQRES 6 A 90 LEU GLU ASP VAL VAL LYS VAL GLN ARG ASN GLN SER ASP SEQRES 7 A 90 PRO THR MET PHE ASN LYS ILE ALA VAL PHE PHE GLN SEQRES 1 B 90 ASP ASN VAL ILE LEU GLU LEU THR VAL ARG ASN HIS PRO SEQRES 2 B 90 GLY VAL MET THR HIS VAL CYS GLY LEU PHE ALA ARG ARG SEQRES 3 B 90 ALA PHE ASN VAL GLU GLY ILE LEU CYS LEU PRO ILE GLN SEQRES 4 B 90 ASP SER ASP LYS SER HIS ILE TRP LEU LEU VAL ASN ASP SEQRES 5 B 90 ASP GLN ARG LEU GLU GLN MET ILE SER GLN ILE ASP LYS SEQRES 6 B 90 LEU GLU ASP VAL VAL LYS VAL GLN ARG ASN GLN SER ASP SEQRES 7 B 90 PRO THR MET PHE ASN LYS ILE ALA VAL PHE PHE GLN HET VAL A 224 19 ATOM 1 N ASP A 9 23.694 30.186 26.224 1.00 53.67 N ATOM 2 CA ASP A 9 24.434 30.728 25.090 1.00 56.85 C ATOM 3 C ASP A 9 23.631 30.601 23.790 1.00 54.44 C ATOM 4 O ASP A 9 22.492 30.134 23.803 1.00 51.09 O ATOM 5 CB ASP A 9 25.788 30.032 24.955 1.00 68.28 C ATOM 6 CG ASP A 9 25.655 28.540 24.743 1.00 78.72 C ATOM 7 OD1 ASP A 9 24.568 27.994 25.033 1.00 82.28 O ATOM 8 OD2 ASP A 9 26.637 27.914 24.292 1.00 82.32 O ATOM 9 HN3 ASP A 9 23.492 29.180 26.056 1.00 0.00 H ATOM 10 HN2 ASP A 9 22.800 30.706 26.334 1.00 0.00 H ATOM 11 HN1 ASP A 9 24.264 30.287 27.088 1.00 0.00 H ATOM 12 N ASN A 10 24.242 30.997 22.671 1.00 53.48 N ATOM 13 CA ASN A 10 23.537 31.255 21.421 1.00 49.30 C ATOM 14 C ASN A 10 24.017 30.336 20.300 1.00 44.08 C ATOM 15 O ASN A 10 25.091 29.733 20.376 1.00 46.85 O ATOM 16 CB ASN A 10 23.710 32.717 20.986 1.00 49.27 C ATOM 17 CG ASN A 10 22.817 33.669 21.760 1.00 53.97 C ATOM 18 OD1 ASN A 10 21.844 33.257 22.392 1.00 58.48 O ATOM 19 ND2 ASN A 10 23.136 34.957 21.698 1.00 54.96 N ATOM 20 HD22 ASN A 10 23.967 35.261 21.152 1.00 0.00 H ATOM 21 HD21 ASN A 10 22.554 35.661 22.195 1.00 0.00 H ATOM 22 H ASN A 10 25.273 31.128 22.692 1.00 0.00 H ATOM 23 N VAL A 11 23.192 30.238 19.249 1.00 37.22 N ATOM 24 CA VAL A 11 23.501 29.469 18.047 1.00 36.07 C ATOM 25 C VAL A 11 23.111 30.286 16.819 1.00 33.80 C ATOM 26 O VAL A 11 22.258 31.174 16.881 1.00 34.68 O ATOM 27 CB VAL A 11 22.785 28.097 18.015 1.00 37.65 C ATOM 28 CG1 VAL A 11 21.291 28.277 17.795 1.00 31.78 C ATOM 29 CG2 VAL A 11 23.383 27.208 16.931 1.00 40.69 C ATOM 30 H VAL A 11 22.281 30.737 19.292 1.00 0.00 H ATOM 31 N ILE A 12 23.767 29.992 15.695 1.00 27.08 N ATOM 32 CA ILE A 12 23.529 30.681 14.429 1.00 26.79 C ATOM 33 C ILE A 12 22.841 29.711 13.475 1.00 29.42 C ATOM 34 O ILE A 12 23.353 28.614 13.218 1.00 32.82 O ATOM 35 CB ILE A 12 24.831 31.223 13.819 1.00 26.86 C ATOM 36 CG1 ILE A 12 25.468 32.239 14.766 1.00 29.92 C ATOM 37 CG2 ILE A 12 24.554 31.866 12.466 1.00 24.35 C ATOM 38 CD1 ILE A 12 25.817 33.542 14.124 1.00 30.12 C ATOM 39 H ILE A 12 24.481 29.237 15.721 1.00 0.00 H ATOM 40 N LEU A 13 21.689 30.117 12.947 1.00 26.75 N ATOM 41 CA LEU A 13 20.973 29.358 11.928 1.00 28.10 C ATOM 42 C LEU A 13 21.294 29.916 10.547 1.00 29.44 C ATOM 43 O LEU A 13 21.256 31.134 10.341 1.00 28.13 O ATOM 44 CB LEU A 13 19.465 29.416 12.165 1.00 24.17 C ATOM 45 CG LEU A 13 18.945 28.878 13.491 1.00 27.56 C ATOM 46 CD1 LEU A 13 17.425 28.904 13.506 1.00 28.03 C ATOM 47 CD2 LEU A 13 19.475 27.475 13.735 1.00 33.32 C ATOM 48 H LEU A 13 21.281 31.015 13.276 1.00 0.00 H ATOM 49 N GLU A 14 21.597 29.026 9.604 1.00 32.74 N ATOM 50 CA GLU A 14 21.883 29.398 8.224 1.00 30.26 C ATOM 51 C GLU A 14 20.739 28.937 7.337 1.00 30.59 C ATOM 52 O GLU A 14 20.406 27.749 7.320 1.00 34.50 O ATOM 53 CB GLU A 14 23.187 28.771 7.744 1.00 35.45 C ATOM 54 CG GLU A 14 24.430 29.386 8.317 1.00 51.61 C ATOM 55 CD GLU A 14 25.670 28.897 7.602 1.00 72.66 C ATOM 56 OE1 GLU A 14 26.590 28.396 8.284 1.00 80.69 O ATOM 57 OE2 GLU A 14 25.712 28.986 6.354 1.00 80.72 O ATOM 58 H GLU A 14 21.631 28.020 9.864 1.00 0.00 H ATOM 59 N LEU A 15 20.160 29.867 6.586 1.00 28.28 N ATOM 60 CA LEU A 15 19.067 29.583 5.670 1.00 28.42 C ATOM 61 C LEU A 15 19.449 30.014 4.263 1.00 33.69 C ATOM 62 O LEU A 15 20.148 31.014 4.077 1.00 34.91 O ATOM 63 CB LEU A 15 17.777 30.299 6.082 1.00 29.37 C ATOM 64 CG LEU A 15 17.082 29.942 7.398 1.00 29.43 C ATOM 65 CD1 LEU A 15 17.898 30.369 8.598 1.00 25.32 C ATOM 66 CD2 LEU A 15 15.721 30.610 7.430 1.00 32.30 C ATOM 67 H LEU A 15 20.505 30.846 6.657 1.00 0.00 H ATOM 68 N THR A 16 19.016 29.236 3.280 1.00 35.24 N ATOM 69 CA THR A 16 19.002 29.657 1.887 1.00 33.39 C ATOM 70 C THR A 16 17.546 29.826 1.479 1.00 32.65 C ATOM 71 O THR A 16 16.760 28.880 1.572 1.00 36.17 O ATOM 72 CB THR A 16 19.708 28.644 0.988 1.00 36.37 C ATOM 73 OG1 THR A 16 21.060 28.475 1.428 1.00 36.95 O ATOM 74 CG2 THR A 16 19.708 29.128 -0.451 1.00 36.81 C ATOM 75 HG1 THR A 16 21.516 27.818 0.844 1.00 0.00 H ATOM 76 H THR A 16 18.671 28.283 3.515 1.00 0.00 H ATOM 77 N VAL A 17 17.186 31.029 1.039 1.00 32.00 N ATOM 78 CA VAL A 17 15.796 31.364 0.772 1.00 30.94 C ATOM 79 C VAL A 17 15.716 32.058 -0.578 1.00 32.36 C ATOM 80 O VAL A 17 16.714 32.541 -1.116 1.00 35.36 O ATOM 81 CB VAL A 17 15.183 32.264 1.871 1.00 26.23 C ATOM 82 CG1 VAL A 17 15.387 31.644 3.247 1.00 24.70 C ATOM 83 CG2 VAL A 17 15.766 33.671 1.806 1.00 23.88 C ATOM 84 H VAL A 17 17.919 31.750 0.882 1.00 0.00 H ATOM 85 N ARG A 18 14.506 32.095 -1.125 1.00 32.40 N ATOM 86 CA ARG A 18 14.256 32.850 -2.342 1.00 38.92 C ATOM 87 C ARG A 18 14.175 34.337 -2.022 1.00 36.87 C ATOM 88 O ARG A 18 13.593 34.737 -1.011 1.00 33.07 O ATOM 89 CB ARG A 18 12.969 32.372 -3.013 1.00 46.96 C ATOM 90 CG ARG A 18 13.171 31.145 -3.889 1.00 57.57 C ATOM 91 CD ARG A 18 11.893 30.728 -4.589 1.00 65.43 C ATOM 92 NE ARG A 18 11.115 29.783 -3.793 1.00 69.99 N ATOM 93 CZ ARG A 18 11.314 28.468 -3.792 1.00 71.77 C ATOM 94 NH1 ARG A 18 12.272 27.937 -4.541 1.00 70.02 N ATOM 95 NH2 ARG A 18 10.555 27.683 -3.041 1.00 72.98 N ATOM 96 HE ARG A 18 10.358 30.162 -3.189 1.00 0.00 H ATOM 97 HH12 ARG A 18 12.425 26.908 -4.538 1.00 0.00 H ATOM 98 HH11 ARG A 18 12.870 28.550 -5.131 1.00 0.00 H ATOM 99 HH22 ARG A 18 10.711 26.655 -3.041 1.00 0.00 H ATOM 100 HH21 ARG A 18 9.803 28.095 -2.452 1.00 0.00 H ATOM 101 H ARG A 18 13.725 31.576 -0.676 1.00 0.00 H ATOM 102 N ASN A 19 14.781 35.154 -2.885 1.00 39.17 N ATOM 103 CA ASN A 19 14.831 36.605 -2.695 1.00 35.16 C ATOM 104 C ASN A 19 13.550 37.224 -3.261 1.00 37.45 C ATOM 105 O ASN A 19 13.536 37.885 -4.302 1.00 38.57 O ATOM 106 CB ASN A 19 16.079 37.175 -3.356 1.00 36.36 C ATOM 107 CG ASN A 19 16.354 38.611 -2.958 1.00 34.54 C ATOM 108 OD1 ASN A 19 15.738 39.144 -2.036 1.00 33.29 O ATOM 109 ND2 ASN A 19 17.292 39.243 -3.651 1.00 37.29 N ATOM 110 HD22 ASN A 19 17.787 38.753 -4.423 1.00 0.00 H ATOM 111 HD21 ASN A 19 17.532 40.229 -3.422 1.00 0.00 H ATOM 112 H ASN A 19 15.236 34.744 -3.726 1.00 0.00 H ATOM 113 N HIS A 20 12.460 37.004 -2.538 1.00 40.90 N ATOM 114 CA HIS A 20 11.122 37.440 -2.913 1.00 47.34 C ATOM 115 C HIS A 20 10.518 38.271 -1.796 1.00 44.85 C ATOM 116 O HIS A 20 10.890 38.122 -0.624 1.00 40.19 O ATOM 117 CB HIS A 20 10.218 36.229 -3.201 1.00 48.60 C ATOM 118 CG HIS A 20 10.579 35.478 -4.446 1.00 53.10 C ATOM 119 ND1 HIS A 20 11.532 35.925 -5.337 1.00 55.59 N ATOM 120 CD2 HIS A 20 10.128 34.300 -4.938 1.00 56.00 C ATOM 121 CE1 HIS A 20 11.645 35.059 -6.329 1.00 57.11 C ATOM 122 NE2 HIS A 20 10.806 34.064 -6.110 1.00 57.91 N ATOM 123 H HIS A 20 12.568 36.485 -1.643 1.00 0.00 H ATOM 124 N PRO A 21 9.572 39.157 -2.113 1.00 46.89 N ATOM 125 CA PRO A 21 8.917 39.933 -1.057 1.00 39.50 C ATOM 126 C PRO A 21 8.169 39.024 -0.090 1.00 37.71 C ATOM 127 O PRO A 21 7.558 38.032 -0.490 1.00 42.06 O ATOM 128 CB PRO A 21 7.957 40.845 -1.829 1.00 41.01 C ATOM 129 CG PRO A 21 8.524 40.918 -3.211 1.00 39.42 C ATOM 130 CD PRO A 21 9.139 39.576 -3.460 1.00 38.42 C ATOM 131 N GLY A 22 8.229 39.371 1.198 1.00 35.50 N ATOM 132 CA GLY A 22 7.488 38.670 2.227 1.00 32.80 C ATOM 133 C GLY A 22 8.195 37.494 2.868 1.00 29.73 C ATOM 134 O GLY A 22 7.704 36.977 3.877 1.00 30.67 O ATOM 135 H GLY A 22 8.830 40.174 1.473 1.00 0.00 H ATOM 136 N VAL A 23 9.340 37.069 2.336 1.00 33.86 N ATOM 137 CA VAL A 23 10.009 35.876 2.852 1.00 33.34 C ATOM 138 C VAL A 23 10.567 36.123 4.251 1.00 32.49 C ATOM 139 O VAL A 23 10.445 35.272 5.140 1.00 30.71 O ATOM 140 CB VAL A 23 11.105 35.418 1.875 1.00 32.79 C ATOM 141 CG1 VAL A 23 11.866 34.233 2.450 1.00 32.23 C ATOM 142 CG2 VAL A 23 10.494 35.061 0.536 1.00 28.38 C ATOM 143 H VAL A 23 9.763 37.593 1.543 1.00 0.00 H ATOM 144 N MET A 24 11.206 37.272 4.470 1.00 29.79 N ATOM 145 CA MET A 24 11.731 37.553 5.801 1.00 28.83 C ATOM 146 C MET A 24 10.607 37.678 6.820 1.00 26.98 C ATOM 147 O MET A 24 10.788 37.333 7.991 1.00 30.44 O ATOM 148 CB MET A 24 12.579 38.822 5.778 1.00 26.69 C ATOM 149 CG MET A 24 13.305 39.104 7.087 1.00 30.41 C ATOM 150 SD MET A 24 14.471 37.807 7.555 1.00 33.60 S ATOM 151 CE MET A 24 15.452 38.667 8.769 1.00 36.62 C ATOM 152 H MET A 24 11.329 37.960 3.700 1.00 0.00 H ATOM 153 N THR A 25 9.438 38.150 6.389 1.00 28.19 N ATOM 154 CA THR A 25 8.289 38.230 7.282 1.00 27.06 C ATOM 155 C THR A 25 7.829 36.843 7.710 1.00 27.34 C ATOM 156 O THR A 25 7.483 36.627 8.877 1.00 31.04 O ATOM 157 CB THR A 25 7.155 38.984 6.592 1.00 28.81 C ATOM 158 OG1 THR A 25 7.647 40.236 6.098 1.00 32.97 O ATOM 159 CG2 THR A 25 6.023 39.242 7.561 1.00 27.25 C ATOM 160 HG1 THR A 25 8.377 40.070 5.450 1.00 0.00 H ATOM 161 H THR A 25 9.344 38.465 5.402 1.00 0.00 H ATOM 162 N HIS A 26 7.818 35.892 6.774 1.00 27.39 N ATOM 163 CA HIS A 26 7.448 34.517 7.095 1.00 29.08 C ATOM 164 C HIS A 26 8.407 33.906 8.111 1.00 29.67 C ATOM 165 O HIS A 26 7.981 33.284 9.091 1.00 29.94 O ATOM 166 CB HIS A 26 7.425 33.688 5.814 1.00 32.09 C ATOM 167 CG HIS A 26 6.298 34.034 4.895 1.00 41.62 C ATOM 168 ND1 HIS A 26 6.438 34.054 3.524 1.00 46.55 N ATOM 169 CD2 HIS A 26 5.014 34.376 5.148 1.00 46.79 C ATOM 170 CE1 HIS A 26 5.287 34.394 2.972 1.00 49.79 C ATOM 171 NE2 HIS A 26 4.406 34.595 3.935 1.00 50.10 N ATOM 172 H HIS A 26 8.078 36.135 5.797 1.00 0.00 H ATOM 173 N VAL A 27 9.713 34.066 7.884 1.00 30.10 N ATOM 174 CA VAL A 27 10.712 33.452 8.756 1.00 28.03 C ATOM 175 C VAL A 27 10.624 34.030 10.162 1.00 29.91 C ATOM 176 O VAL A 27 10.549 33.294 11.153 1.00 30.87 O ATOM 177 CB VAL A 27 12.122 33.628 8.164 1.00 30.22 C ATOM 178 CG1 VAL A 27 13.172 33.179 9.166 1.00 28.53 C ATOM 179 CG2 VAL A 27 12.254 32.850 6.855 1.00 34.58 C ATOM 180 H VAL A 27 10.025 34.637 7.073 1.00 0.00 H ATOM 181 N CYS A 28 10.655 35.358 10.272 1.00 30.06 N ATOM 182 CA CYS A 28 10.605 35.982 11.588 1.00 27.63 C ATOM 183 C CYS A 28 9.246 35.793 12.242 1.00 26.99 C ATOM 184 O CYS A 28 9.160 35.724 13.472 1.00 31.27 O ATOM 185 CB CYS A 28 10.952 37.466 11.479 1.00 28.10 C ATOM 186 SG CYS A 28 12.668 37.780 11.038 1.00 26.04 S ATOM 187 H CYS A 28 10.715 35.949 9.418 1.00 0.00 H ATOM 188 N GLY A 29 8.180 35.714 11.445 1.00 22.08 N ATOM 189 CA GLY A 29 6.868 35.465 12.008 1.00 23.61 C ATOM 190 C GLY A 29 6.813 34.180 12.808 1.00 28.00 C ATOM 191 O GLY A 29 6.069 34.084 13.784 1.00 30.43 O ATOM 192 H GLY A 29 8.290 35.831 10.418 1.00 0.00 H ATOM 193 N LEU A 30 7.597 33.178 12.410 1.00 27.78 N ATOM 194 CA LEU A 30 7.635 31.936 13.171 1.00 25.89 C ATOM 195 C LEU A 30 8.187 32.165 14.569 1.00 28.24 C ATOM 196 O LEU A 30 7.694 31.586 15.544 1.00 32.81 O ATOM 197 CB LEU A 30 8.482 30.902 12.437 1.00 28.45 C ATOM 198 CG LEU A 30 7.894 30.353 11.147 1.00 28.64 C ATOM 199 CD1 LEU A 30 8.962 29.584 10.400 1.00 30.11 C ATOM 200 CD2 LEU A 30 6.716 29.465 11.470 1.00 33.06 C ATOM 201 H LEU A 30 8.182 33.283 11.556 1.00 0.00 H ATOM 202 N PHE A 31 9.212 33.006 14.688 1.00 24.70 N ATOM 203 CA PHE A 31 9.741 33.335 16.006 1.00 23.94 C ATOM 204 C PHE A 31 8.792 34.252 16.764 1.00 26.49 C ATOM 205 O PHE A 31 8.559 34.060 17.963 1.00 29.07 O ATOM 206 CB PHE A 31 11.116 33.978 15.864 1.00 25.00 C ATOM 207 CG PHE A 31 12.161 33.049 15.332 1.00 26.69 C ATOM 208 CD1 PHE A 31 12.285 32.836 13.967 1.00 28.84 C ATOM 209 CD2 PHE A 31 13.025 32.390 16.191 1.00 28.50 C ATOM 210 CE1 PHE A 31 13.248 31.984 13.467 1.00 26.86 C ATOM 211 CE2 PHE A 31 13.991 31.532 15.696 1.00 28.36 C ATOM 212 CZ PHE A 31 14.100 31.328 14.331 1.00 26.81 C ATOM 213 H PHE A 31 9.637 33.430 13.838 1.00 0.00 H ATOM 214 N ALA A 32 8.244 35.261 16.081 1.00 27.90 N ATOM 215 CA ALA A 32 7.332 36.190 16.734 1.00 27.83 C ATOM 216 C ALA A 32 6.162 35.457 17.376 1.00 35.86 C ATOM 217 O ALA A 32 5.787 35.752 18.518 1.00 37.56 O ATOM 218 CB ALA A 32 6.822 37.218 15.726 1.00 27.95 C ATOM 219 H ALA A 32 8.471 35.384 15.074 1.00 0.00 H ATOM 220 N ARG A 33 5.575 34.494 16.660 1.00 37.70 N ATOM 221 CA ARG A 33 4.396 33.797 17.162 1.00 37.62 C ATOM 222 C ARG A 33 4.689 32.928 18.376 1.00 40.15 C ATOM 223 O ARG A 33 3.749 32.508 19.057 1.00 46.03 O ATOM 224 CB ARG A 33 3.767 32.954 16.053 1.00 34.12 C ATOM 225 CG ARG A 33 3.122 33.791 14.965 1.00 37.81 C ATOM 226 CD ARG A 33 2.285 32.954 14.015 1.00 44.04 C ATOM 227 NE ARG A 33 3.082 32.039 13.209 1.00 50.16 N ATOM 228 CZ ARG A 33 3.697 32.386 12.085 1.00 58.63 C ATOM 229 NH1 ARG A 33 3.618 33.634 11.644 1.00 62.10 N ATOM 230 NH2 ARG A 33 4.400 31.490 11.406 1.00 61.17 N ATOM 231 HE ARG A 33 3.175 31.055 13.534 1.00 0.00 H ATOM 232 HH12 ARG A 33 4.100 33.906 10.763 1.00 0.00 H ATOM 233 HH11 ARG A 33 3.074 34.341 12.179 1.00 0.00 H ATOM 234 HH22 ARG A 33 4.881 31.765 10.526 1.00 0.00 H ATOM 235 HH21 ARG A 33 4.471 30.512 11.754 1.00 0.00 H ATOM 236 H ARG A 33 5.965 34.237 15.730 1.00 0.00 H ATOM 237 N ARG A 34 5.956 32.654 18.670 1.00 39.43 N ATOM 238 CA ARG A 34 6.330 31.912 19.865 1.00 42.57 C ATOM 239 C ARG A 34 7.013 32.791 20.906 1.00 40.23 C ATOM 240 O ARG A 34 7.558 32.268 21.883 1.00 43.19 O ATOM 241 CB ARG A 34 7.231 30.731 19.491 1.00 45.21 C ATOM 242 CG ARG A 34 6.491 29.546 18.877 1.00 52.62 C ATOM 243 CD ARG A 34 7.414 28.348 18.692 1.00 56.10 C ATOM 244 NE ARG A 34 6.678 27.097 18.518 1.00 60.56 N ATOM 245 CZ ARG A 34 6.334 26.287 19.516 1.00 63.46 C ATOM 246 NH1 ARG A 34 6.660 26.598 20.763 1.00 66.25 N ATOM 247 NH2 ARG A 34 5.665 25.168 19.270 1.00 61.85 N ATOM 248 HE ARG A 34 6.406 26.823 17.552 1.00 0.00 H ATOM 249 HH12 ARG A 34 6.392 25.966 21.544 1.00 0.00 H ATOM 250 HH11 ARG A 34 7.184 27.474 20.960 1.00 0.00 H ATOM 251 HH22 ARG A 34 5.399 24.538 20.054 1.00 0.00 H ATOM 252 HH21 ARG A 34 5.407 24.920 18.293 1.00 0.00 H ATOM 253 H ARG A 34 6.704 32.980 18.025 1.00 0.00 H ATOM 254 N ALA A 35 6.982 34.114 20.733 1.00 34.52 N ATOM 255 CA ALA A 35 7.673 35.041 21.627 1.00 33.31 C ATOM 256 C ALA A 35 9.159 34.710 21.724 1.00 31.41 C ATOM 257 O ALA A 35 9.779 34.866 22.778 1.00 36.55 O ATOM 258 CB ALA A 35 7.035 35.061 23.019 1.00 39.23 C ATOM 259 H ALA A 35 6.445 34.500 19.931 1.00 0.00 H ATOM 260 N PHE A 36 9.730 34.245 20.621 1.00 26.00 N ATOM 261 CA PHE A 36 11.135 33.882 20.544 1.00 30.10 C ATOM 262 C PHE A 36 11.885 35.048 19.915 1.00 33.60 C ATOM 263 O PHE A 36 11.612 35.427 18.771 1.00 31.11 O ATOM 264 CB PHE A 36 11.325 32.604 19.728 1.00 33.25 C ATOM 265 CG PHE A 36 12.624 31.891 19.994 1.00 36.56 C ATOM 266 CD1 PHE A 36 13.837 32.534 19.802 1.00 35.78 C ATOM 267 CD2 PHE A 36 12.633 30.569 20.406 1.00 41.12 C ATOM 268 CE1 PHE A 36 15.030 31.880 20.036 1.00 36.41 C ATOM 269 CE2 PHE A 36 13.825 29.907 20.639 1.00 42.04 C ATOM 270 CZ PHE A 36 15.025 30.564 20.455 1.00 39.98 C ATOM 271 H PHE A 36 9.143 34.135 19.769 1.00 0.00 H ATOM 272 N ASN A 37 12.821 35.615 20.663 1.00 33.00 N ATOM 273 CA ASN A 37 13.529 36.793 20.200 1.00 29.62 C ATOM 274 C ASN A 37 14.668 36.400 19.273 1.00 28.14 C ATOM 275 O ASN A 37 15.354 35.398 19.490 1.00 30.67 O ATOM 276 CB ASN A 37 14.059 37.592 21.390 1.00 29.24 C ATOM 277 CG ASN A 37 14.524 38.969 20.999 1.00 27.65 C ATOM 278 OD1 ASN A 37 13.749 39.768 20.479 1.00 30.47 O ATOM 279 ND2 ASN A 37 15.790 39.268 21.268 1.00 23.49 N ATOM 280 HD22 ASN A 37 16.409 38.559 21.709 1.00 0.00 H ATOM 281 HD21 ASN A 37 16.162 40.212 21.037 1.00 0.00 H ATOM 282 H ASN A 37 13.050 35.210 21.593 1.00 0.00 H ATOM 283 N VAL A 38 14.853 37.188 18.222 1.00 26.67 N ATOM 284 CA VAL A 38 15.986 37.041 17.321 1.00 26.00 C ATOM 285 C VAL A 38 17.000 38.115 17.689 1.00 21.41 C ATOM 286 O VAL A 38 16.688 39.312 17.668 1.00 20.38 O ATOM 287 CB VAL A 38 15.549 37.154 15.853 1.00 24.90 C ATOM 288 CG1 VAL A 38 16.747 36.978 14.924 1.00 27.60 C ATOM 289 CG2 VAL A 38 14.465 36.130 15.547 1.00 20.21 C ATOM 290 H VAL A 38 14.161 37.941 18.035 1.00 0.00 H ATOM 291 N GLU A 39 18.212 37.694 18.036 1.00 25.31 N ATOM 292 CA GLU A 39 19.211 38.631 18.533 1.00 30.21 C ATOM 293 C GLU A 39 19.993 39.309 17.413 1.00 31.90 C ATOM 294 O GLU A 39 20.256 40.514 17.492 1.00 38.69 O ATOM 295 CB GLU A 39 20.162 37.917 19.496 1.00 33.83 C ATOM 296 CG GLU A 39 19.459 37.282 20.697 1.00 41.34 C ATOM 297 CD GLU A 39 18.698 38.290 21.555 1.00 43.25 C ATOM 298 OE1 GLU A 39 19.156 39.447 21.683 1.00 42.68 O ATOM 299 OE2 GLU A 39 17.634 37.923 22.100 1.00 46.98 O ATOM 300 H GLU A 39 18.450 36.685 17.952 1.00 0.00 H ATOM 301 N GLY A 40 20.370 38.570 16.378 1.00 26.98 N ATOM 302 CA GLY A 40 21.091 39.147 15.258 1.00 24.85 C ATOM 303 C GLY A 40 20.604 38.569 13.946 1.00 21.24 C ATOM 304 O GLY A 40 20.214 37.403 13.863 1.00 23.02 O ATOM 305 H GLY A 40 20.144 37.555 16.369 1.00 0.00 H ATOM 306 N ILE A 41 20.647 39.401 12.904 1.00 22.43 N ATOM 307 CA ILE A 41 20.200 39.014 11.569 1.00 18.21 C ATOM 308 C ILE A 41 21.172 39.546 10.528 1.00 19.84 C ATOM 309 O ILE A 41 21.601 40.702 10.590 1.00 19.52 O ATOM 310 CB ILE A 41 18.781 39.535 11.258 1.00 23.71 C ATOM 311 CG1 ILE A 41 17.751 38.931 12.211 1.00 22.09 C ATOM 312 CG2 ILE A 41 18.416 39.239 9.805 1.00 26.10 C ATOM 313 CD1 ILE A 41 16.371 39.491 12.015 1.00 21.58 C ATOM 314 H ILE A 41 21.013 40.364 13.048 1.00 0.00 H ATOM 315 N LEU A 42 21.504 38.698 9.559 1.00 22.24 N ATOM 316 CA LEU A 42 22.200 39.097 8.346 1.00 20.21 C ATOM 317 C LEU A 42 21.496 38.453 7.165 1.00 20.83 C ATOM 318 O LEU A 42 21.242 37.247 7.172 1.00 23.71 O ATOM 319 CB LEU A 42 23.678 38.691 8.370 1.00 20.03 C ATOM 320 CG LEU A 42 24.476 38.975 7.092 1.00 20.82 C ATOM 321 CD1 LEU A 42 24.555 40.467 6.796 1.00 20.22 C ATOM 322 CD2 LEU A 42 25.865 38.375 7.190 1.00 26.36 C ATOM 323 H LEU A 42 21.252 37.696 9.675 1.00 0.00 H ATOM 324 N CYS A 43 21.151 39.260 6.171 1.00 22.56 N ATOM 325 CA CYS A 43 20.569 38.759 4.936 1.00 22.45 C ATOM 326 C CYS A 43 21.343 39.356 3.776 1.00 22.82 C ATOM 327 O CYS A 43 21.432 40.580 3.654 1.00 23.43 O ATOM 328 CB CYS A 43 19.084 39.107 4.823 1.00 23.43 C ATOM 329 SG CYS A 43 18.353 38.515 3.282 1.00 27.46 S ATOM 330 H CYS A 43 21.301 40.283 6.278 1.00 0.00 H ATOM 331 N LEU A 44 21.911 38.495 2.937 1.00 25.31 N ATOM 332 CA LEU A 44 22.672 38.933 1.779 1.00 27.38 C ATOM 333 C LEU A 44 22.155 38.203 0.551 1.00 25.75 C ATOM 334 O LEU A 44 22.013 36.969 0.577 1.00 26.42 O ATOM 335 CB LEU A 44 24.174 38.660 1.961 1.00 27.12 C ATOM 336 CG LEU A 44 24.934 39.361 3.083 1.00 21.87 C ATOM 337 CD1 LEU A 44 26.305 38.744 3.229 1.00 22.92 C ATOM 338 CD2 LEU A 44 25.047 40.838 2.788 1.00 24.38 C ATOM 339 H LEU A 44 21.807 37.476 3.115 1.00 0.00 H ATOM 340 N PRO A 45 21.889 38.903 -0.547 1.00 31.23 N ATOM 341 CA PRO A 45 21.527 38.208 -1.782 1.00 33.55 C ATOM 342 C PRO A 45 22.721 37.433 -2.311 1.00 35.64 C ATOM 343 O PRO A 45 23.877 37.802 -2.094 1.00 39.01 O ATOM 344 CB PRO A 45 21.125 39.341 -2.731 1.00 34.87 C ATOM 345 CG PRO A 45 21.839 40.544 -2.206 1.00 36.26 C ATOM 346 CD PRO A 45 21.951 40.367 -0.719 1.00 31.56 C ATOM 347 N ILE A 46 22.432 36.338 -2.999 1.00 36.26 N ATOM 348 CA ILE A 46 23.470 35.497 -3.581 1.00 39.36 C ATOM 349 C ILE A 46 23.719 35.947 -5.015 1.00 41.17 C ATOM 350 O ILE A 46 22.796 35.957 -5.837 1.00 40.40 O ATOM 351 CB ILE A 46 23.078 34.014 -3.523 1.00 38.03 C ATOM 352 CG1 ILE A 46 22.944 33.558 -2.069 1.00 35.61 C ATOM 353 CG2 ILE A 46 24.107 33.167 -4.253 1.00 41.94 C ATOM 354 CD1 ILE A 46 22.274 32.208 -1.899 1.00 36.81 C ATOM 355 H ILE A 46 21.435 36.071 -3.127 1.00 0.00 H ATOM 356 N GLN A 47 24.959 36.356 -5.303 1.00 46.37 N ATOM 357 CA GLN A 47 25.300 36.861 -6.628 1.00 53.48 C ATOM 358 C GLN A 47 24.758 35.950 -7.716 1.00 52.93 C ATOM 359 O GLN A 47 24.965 34.734 -7.688 1.00 57.60 O ATOM 360 CB GLN A 47 26.816 36.976 -6.810 1.00 66.33 C ATOM 361 CG GLN A 47 27.536 38.004 -5.961 1.00 70.77 C ATOM 362 CD GLN A 47 28.878 38.364 -6.583 1.00 75.64 C ATOM 363 OE1 GLN A 47 29.458 37.573 -7.331 1.00 76.24 O ATOM 364 NE2 GLN A 47 29.384 39.551 -6.266 1.00 76.97 N ATOM 365 HE22 GLN A 47 28.860 40.187 -5.631 1.00 0.00 H ATOM 366 HE21 GLN A 47 30.304 39.844 -6.653 1.00 0.00 H ATOM 367 H GLN A 47 25.694 36.313 -4.568 1.00 0.00 H ATOM 368 N ASP A 48 24.084 36.545 -8.695 1.00 48.08 N ATOM 369 CA ASP A 48 23.731 35.821 -9.907 1.00 56.25 C ATOM 370 C ASP A 48 22.714 34.723 -9.609 1.00 57.20 C ATOM 371 O ASP A 48 22.827 33.603 -10.110 1.00 59.95 O ATOM 372 CB ASP A 48 24.984 35.233 -10.565 1.00 60.38 C ATOM 373 CG ASP A 48 25.769 36.261 -11.361 1.00 63.13 C ATOM 374 OD1 ASP A 48 25.164 36.937 -12.218 1.00 64.92 O ATOM 375 OD2 ASP A 48 26.990 36.394 -11.122 1.00 62.81 O ATOM 376 H ASP A 48 23.805 37.542 -8.593 1.00 0.00 H ATOM 377 N SER A 49 21.730 35.036 -8.770 1.00 56.84 N ATOM 378 CA SER A 49 20.679 34.082 -8.437 1.00 56.51 C ATOM 379 C SER A 49 19.465 34.843 -7.930 1.00 52.16 C ATOM 380 O SER A 49 19.501 36.059 -7.734 1.00 53.40 O ATOM 381 CB SER A 49 21.143 33.069 -7.388 1.00 55.59 C ATOM 382 OG SER A 49 21.118 33.643 -6.092 1.00 52.90 O ATOM 383 HG SER A 49 21.721 34.428 -6.068 1.00 0.00 H ATOM 384 H SER A 49 21.710 35.983 -8.342 1.00 0.00 H ATOM 385 N ASP A 50 18.382 34.100 -7.718 1.00 50.08 N ATOM 386 CA ASP A 50 17.173 34.633 -7.110 1.00 48.87 C ATOM 387 C ASP A 50 17.065 34.231 -5.648 1.00 42.57 C ATOM 388 O ASP A 50 15.962 34.212 -5.090 1.00 42.68 O ATOM 389 CB ASP A 50 15.933 34.175 -7.879 1.00 55.63 C ATOM 390 CG ASP A 50 15.750 32.671 -7.848 1.00 59.22 C ATOM 391 OD1 ASP A 50 16.747 31.957 -7.615 1.00 60.55 O ATOM 392 OD2 ASP A 50 14.609 32.203 -8.044 1.00 61.72 O ATOM 393 H ASP A 50 18.401 33.099 -7.998 1.00 0.00 H ATOM 394 N LYS A 51 18.191 33.917 -5.017 1.00 37.35 N ATOM 395 CA LYS A 51 18.215 33.431 -3.652 1.00 36.01 C ATOM 396 C LYS A 51 19.026 34.381 -2.786 1.00 35.37 C ATOM 397 O LYS A 51 19.773 35.228 -3.284 1.00 38.93 O ATOM 398 CB LYS A 51 18.829 32.027 -3.579 1.00 35.86 C ATOM 399 CG LYS A 51 18.206 31.028 -4.530 1.00 37.67 C ATOM 400 CD LYS A 51 16.922 30.460 -3.981 1.00 37.28 C ATOM 401 CE LYS A 51 16.386 29.381 -4.893 1.00 46.70 C ATOM 402 NZ LYS A 51 15.964 29.931 -6.209 1.00 55.40 N ATOM 403 HZ1 LYS A 51 15.216 30.639 -6.064 1.00 0.00 H ATOM 404 HZ2 LYS A 51 16.780 30.378 -6.674 1.00 0.00 H ATOM 405 HZ3 LYS A 51 15.602 29.160 -6.806 1.00 0.00 H ATOM 406 H LYS A 51 19.093 34.024 -5.524 1.00 0.00 H ATOM 407 N SER A 52 18.861 34.230 -1.474 1.00 33.54 N ATOM 408 CA SER A 52 19.594 35.011 -0.492 1.00 30.44 C ATOM 409 C SER A 52 20.016 34.091 0.644 1.00 29.33 C ATOM 410 O SER A 52 19.386 33.064 0.897 1.00 29.27 O ATOM 411 CB SER A 52 18.754 36.177 0.055 1.00 26.79 C ATOM 412 OG SER A 52 18.402 37.097 -0.961 1.00 26.00 O ATOM 413 HG SER A 52 17.864 37.830 -0.569 1.00 0.00 H ATOM 414 H SER A 52 18.178 33.522 -1.137 1.00 0.00 H ATOM 415 N HIS A 53 21.101 34.468 1.311 1.00 30.37 N ATOM 416 CA HIS A 53 21.539 33.824 2.540 1.00 29.23 C ATOM 417 C HIS A 53 21.041 34.626 3.735 1.00 26.56 C ATOM 418 O HIS A 53 21.096 35.859 3.731 1.00 25.15 O ATOM 419 CB HIS A 53 23.066 33.717 2.595 1.00 31.47 C ATOM 420 CG HIS A 53 23.642 32.697 1.663 1.00 33.54 C ATOM 421 ND1 HIS A 53 24.890 32.832 1.094 1.00 34.55 N ATOM 422 CD2 HIS A 53 23.149 31.518 1.213 1.00 34.61 C ATOM 423 CE1 HIS A 53 25.138 31.785 0.327 1.00 35.64 C ATOM 424 NE2 HIS A 53 24.098 30.973 0.383 1.00 35.83 N ATOM 425 H HIS A 53 21.663 35.259 0.938 1.00 0.00 H ATOM 426 N ILE A 54 20.550 33.924 4.753 1.00 27.23 N ATOM 427 CA ILE A 54 20.152 34.542 6.013 1.00 22.68 C ATOM 428 C ILE A 54 20.918 33.858 7.133 1.00 23.93 C ATOM 429 O ILE A 54 20.974 32.625 7.189 1.00 25.49 O ATOM 430 CB ILE A 54 18.636 34.439 6.262 1.00 20.70 C ATOM 431 CG1 ILE A 54 17.855 35.238 5.220 1.00 21.90 C ATOM 432 CG2 ILE A 54 18.298 34.920 7.670 1.00 18.31 C ATOM 433 CD1 ILE A 54 16.357 35.093 5.346 1.00 23.22 C ATOM 434 H ILE A 54 20.446 32.895 4.646 1.00 0.00 H ATOM 435 N TRP A 55 21.519 34.655 8.008 1.00 26.06 N ATOM 436 CA TRP A 55 22.106 34.173 9.249 1.00 25.21 C ATOM 437 C TRP A 55 21.264 34.701 10.399 1.00 20.79 C ATOM 438 O TRP A 55 21.038 35.909 10.494 1.00 21.39 O ATOM 439 CB TRP A 55 23.557 34.634 9.405 1.00 17.64 C ATOM 440 CG TRP A 55 24.511 34.050 8.406 1.00 23.46 C ATOM 441 CD1 TRP A 55 25.338 32.985 8.591 1.00 28.07 C ATOM 442 CD2 TRP A 55 24.751 34.517 7.070 1.00 25.97 C ATOM 443 NE1 TRP A 55 26.077 32.754 7.454 1.00 30.14 N ATOM 444 CE2 TRP A 55 25.734 33.682 6.507 1.00 29.14 C ATOM 445 CE3 TRP A 55 24.229 35.560 6.297 1.00 24.91 C ATOM 446 CZ2 TRP A 55 26.201 33.852 5.204 1.00 28.98 C ATOM 447 CZ3 TRP A 55 24.695 35.727 5.007 1.00 20.54 C ATOM 448 CH2 TRP A 55 25.670 34.878 4.474 1.00 24.66 C ATOM 449 HE1 TRP A 55 26.781 31.998 7.333 1.00 0.00 H ATOM 450 H TRP A 55 21.573 35.672 7.797 1.00 0.00 H ATOM 451 N LEU A 56 20.791 33.802 11.256 1.00 22.07 N ATOM 452 CA LEU A 56 19.993 34.170 12.418 1.00 20.91 C ATOM 453 C LEU A 56 20.738 33.777 13.683 1.00 19.70 C ATOM 454 O LEU A 56 21.083 32.607 13.867 1.00 21.32 O ATOM 455 CB LEU A 56 18.619 33.497 12.392 1.00 27.08 C ATOM 456 CG LEU A 56 17.677 33.788 11.226 1.00 25.29 C ATOM 457 CD1 LEU A 56 16.384 33.016 11.415 1.00 25.93 C ATOM 458 CD2 LEU A 56 17.411 35.275 11.087 1.00 22.36 C ATOM 459 H LEU A 56 20.999 32.796 11.091 1.00 0.00 H ATOM 460 N LEU A 57 20.969 34.752 14.553 1.00 23.52 N ATOM 461 CA LEU A 57 21.558 34.525 15.864 1.00 21.72 C ATOM 462 C LEU A 57 20.446 34.453 16.906 1.00 25.79 C ATOM 463 O LEU A 57 19.740 35.442 17.135 1.00 27.80 O ATOM 464 CB LEU A 57 22.539 35.639 16.210 1.00 22.91 C ATOM 465 CG LEU A 57 23.111 35.533 17.616 1.00 25.58 C ATOM 466 CD1 LEU A 57 24.096 34.381 17.685 1.00 26.70 C ATOM 467 CD2 LEU A 57 23.746 36.847 18.024 1.00 28.91 C ATOM 468 H LEU A 57 20.717 35.725 14.285 1.00 0.00 H ATOM 469 N VAL A 58 20.285 33.280 17.526 1.00 26.93 N ATOM 470 CA VAL A 58 19.225 33.037 18.497 1.00 28.06 C ATOM 471 C VAL A 58 19.795 32.235 19.659 1.00 34.79 C ATOM 472 O VAL A 58 20.809 31.547 19.531 1.00 39.01 O ATOM 473 CB VAL A 58 18.025 32.291 17.879 1.00 30.83 C ATOM 474 CG1 VAL A 58 17.389 33.119 16.771 1.00 27.05 C ATOM 475 CG2 VAL A 58 18.470 30.935 17.354 1.00 33.44 C ATOM 476 H VAL A 58 20.945 32.507 17.306 1.00 0.00 H ATOM 477 N ASN A 59 19.120 32.327 20.805 1.00 35.07 N ATOM 478 CA ASN A 59 19.528 31.562 21.977 1.00 38.02 C ATOM 479 C ASN A 59 19.295 30.075 21.737 1.00 41.20 C ATOM 480 O ASN A 59 18.223 29.669 21.276 1.00 39.41 O ATOM 481 CB ASN A 59 18.763 32.034 23.213 1.00 40.75 C ATOM 482 CG ASN A 59 19.220 31.337 24.484 1.00 54.84 C ATOM 483 OD1 ASN A 59 20.237 31.700 25.076 1.00 62.29 O ATOM 484 ND2 ASN A 59 18.461 30.333 24.913 1.00 55.37 N ATOM 485 HD22 ASN A 59 17.610 30.060 24.381 1.00 0.00 H ATOM 486 HD21 ASN A 59 18.718 29.821 25.781 1.00 0.00 H ATOM 487 H ASN A 59 18.291 32.953 20.864 1.00 0.00 H ATOM 488 N ASP A 60 20.310 29.262 22.033 1.00 43.74 N ATOM 489 CA ASP A 60 20.187 27.822 21.853 1.00 45.55 C ATOM 490 C ASP A 60 19.145 27.265 22.809 1.00 46.09 C ATOM 491 O ASP A 60 19.260 27.415 24.029 1.00 51.98 O ATOM 492 CB ASP A 60 21.528 27.130 22.065 1.00 51.01 C ATOM 493 CG ASP A 60 21.537 25.722 21.505 1.00 54.49 C ATOM 494 OD1 ASP A 60 20.596 25.376 20.759 1.00 52.90 O ATOM 495 OD2 ASP A 60 22.477 24.959 21.808 1.00 60.54 O ATOM 496 H ASP A 60 21.199 29.661 22.396 1.00 0.00 H ATOM 497 N ASP A 61 18.133 26.617 22.250 1.00 41.20 N ATOM 498 CA ASP A 61 16.954 26.232 23.001 1.00 44.32 C ATOM 499 C ASP A 61 16.468 24.884 22.495 1.00 45.28 C ATOM 500 O ASP A 61 16.682 24.529 21.333 1.00 49.35 O ATOM 501 CB ASP A 61 15.863 27.300 22.857 1.00 46.41 C ATOM 502 CG ASP A 61 14.683 27.056 23.754 1.00 52.27 C ATOM 503 OD1 ASP A 61 14.187 25.911 23.795 1.00 57.82 O ATOM 504 OD2 ASP A 61 14.247 28.019 24.414 1.00 57.40 O ATOM 505 H ASP A 61 18.186 26.377 21.240 1.00 0.00 H ATOM 506 N GLN A 62 15.810 24.131 23.376 1.00 40.86 N ATOM 507 CA GLN A 62 15.140 22.924 22.911 1.00 48.18 C ATOM 508 C GLN A 62 13.982 23.266 21.981 1.00 47.40 C ATOM 509 O GLN A 62 13.627 22.468 21.106 1.00 49.00 O ATOM 510 CB GLN A 62 14.660 22.093 24.099 1.00 54.51 C ATOM 511 CG GLN A 62 14.721 20.586 23.866 1.00 58.12 C ATOM 512 CD GLN A 62 13.835 20.128 22.721 1.00 57.50 C ATOM 513 OE1 GLN A 62 12.648 20.450 22.672 1.00 59.46 O ATOM 514 NE2 GLN A 62 14.413 19.382 21.786 1.00 54.43 N ATOM 515 HE22 GLN A 62 15.420 19.134 21.868 1.00 0.00 H ATOM 516 HE21 GLN A 62 13.859 19.046 20.972 1.00 0.00 H ATOM 517 H GLN A 62 15.775 24.401 24.380 1.00 0.00 H ATOM 518 N ARG A 63 13.394 24.452 22.143 1.00 43.07 N ATOM 519 CA ARG A 63 12.360 24.908 21.221 1.00 39.94 C ATOM 520 C ARG A 63 12.890 25.097 19.809 1.00 34.56 C ATOM 521 O ARG A 63 12.101 25.177 18.861 1.00 33.98 O ATOM 522 CB ARG A 63 11.782 26.223 21.723 1.00 42.72 C ATOM 523 CG ARG A 63 11.079 26.110 23.051 1.00 54.29 C ATOM 524 CD ARG A 63 11.328 27.347 23.909 1.00 64.24 C ATOM 525 NE ARG A 63 10.827 28.577 23.297 1.00 69.15 N ATOM 526 CZ ARG A 63 11.002 29.796 23.804 1.00 71.85 C ATOM 527 NH1 ARG A 63 11.668 29.960 24.940 1.00 74.72 N ATOM 528 NH2 ARG A 63 10.511 30.856 23.176 1.00 71.88 N ATOM 529 HE ARG A 63 10.298 28.494 22.405 1.00 0.00 H ATOM 530 HH12 ARG A 63 11.802 30.914 25.331 1.00 0.00 H ATOM 531 HH11 ARG A 63 12.056 29.134 25.439 1.00 0.00 H ATOM 532 HH22 ARG A 63 10.649 31.807 23.574 1.00 0.00 H ATOM 533 HH21 ARG A 63 9.988 30.737 22.285 1.00 0.00 H ATOM 534 H ARG A 63 13.677 25.060 22.938 1.00 0.00 H ATOM 535 N LEU A 64 14.208 25.201 19.652 1.00 32.22 N ATOM 536 CA LEU A 64 14.771 25.479 18.339 1.00 32.44 C ATOM 537 C LEU A 64 14.485 24.347 17.365 1.00 31.30 C ATOM 538 O LEU A 64 14.230 24.589 16.181 1.00 34.91 O ATOM 539 CB LEU A 64 16.274 25.719 18.458 1.00 37.19 C ATOM 540 CG LEU A 64 16.704 27.180 18.578 1.00 39.05 C ATOM 541 CD1 LEU A 64 18.206 27.305 18.382 1.00 41.69 C ATOM 542 CD2 LEU A 64 15.952 28.051 17.585 1.00 38.72 C ATOM 543 H LEU A 64 14.838 25.083 20.471 1.00 0.00 H ATOM 544 N GLU A 65 14.523 23.102 17.843 1.00 32.38 N ATOM 545 CA GLU A 65 14.306 21.962 16.957 1.00 36.56 C ATOM 546 C GLU A 65 12.970 22.082 16.231 1.00 37.60 C ATOM 547 O GLU A 65 12.910 22.022 14.997 1.00 36.61 O ATOM 548 CB GLU A 65 14.384 20.661 17.757 1.00 35.40 C ATOM 549 CG GLU A 65 14.644 19.409 16.932 1.00 37.39 C ATOM 550 CD GLU A 65 13.406 18.892 16.222 1.00 48.24 C ATOM 551 OE1 GLU A 65 13.511 18.544 15.028 1.00 47.88 O ATOM 552 OE2 GLU A 65 12.327 18.832 16.853 1.00 46.42 O ATOM 553 H GLU A 65 14.708 22.942 18.854 1.00 0.00 H ATOM 554 N GLN A 66 11.883 22.262 16.983 1.00 36.47 N ATOM 555 CA GLN A 66 10.583 22.466 16.354 1.00 34.20 C ATOM 556 C GLN A 66 10.599 23.689 15.448 1.00 32.55 C ATOM 557 O GLN A 66 10.060 23.657 14.337 1.00 34.00 O ATOM 558 CB GLN A 66 9.502 22.605 17.422 1.00 39.70 C ATOM 559 CG GLN A 66 8.171 23.080 16.880 1.00 45.68 C ATOM 560 CD GLN A 66 7.602 22.137 15.845 1.00 54.71 C ATOM 561 OE1 GLN A 66 7.986 20.969 15.772 1.00 60.32 O ATOM 562 NE2 GLN A 66 6.682 22.640 15.030 1.00 55.63 N ATOM 563 HE22 GLN A 66 6.387 23.633 15.128 1.00 0.00 H ATOM 564 HE21 GLN A 66 6.256 22.041 14.294 1.00 0.00 H ATOM 565 H GLN A 66 11.963 22.257 18.020 1.00 0.00 H ATOM 566 N MET A 67 11.216 24.780 15.909 1.00 37.96 N ATOM 567 CA MET A 67 11.320 25.993 15.103 1.00 37.52 C ATOM 568 C MET A 67 12.021 25.720 13.777 1.00 32.23 C ATOM 569 O MET A 67 11.546 26.130 12.712 1.00 29.83 O ATOM 570 CB MET A 67 12.069 27.071 15.887 1.00 44.28 C ATOM 571 CG MET A 67 11.841 28.493 15.396 1.00 50.37 C ATOM 572 SD MET A 67 10.385 29.265 16.121 1.00 54.01 S ATOM 573 CE MET A 67 10.772 29.109 17.863 1.00 52.11 C ATOM 574 H MET A 67 11.631 24.765 16.862 1.00 0.00 H ATOM 575 N ILE A 68 13.173 25.051 13.824 1.00 29.75 N ATOM 576 CA ILE A 68 13.880 24.710 12.594 1.00 29.33 C ATOM 577 C ILE A 68 13.009 23.826 11.714 1.00 32.66 C ATOM 578 O ILE A 68 13.006 23.955 10.484 1.00 30.10 O ATOM 579 CB ILE A 68 15.226 24.042 12.922 1.00 31.05 C ATOM 580 CG1 ILE A 68 16.126 25.018 13.680 1.00 31.78 C ATOM 581 CG2 ILE A 68 15.900 23.550 11.656 1.00 34.59 C ATOM 582 CD1 ILE A 68 17.308 24.362 14.356 1.00 37.19 C ATOM 583 H ILE A 68 13.570 24.770 14.743 1.00 0.00 H ATOM 584 N SER A 69 12.245 22.924 12.333 1.00 34.25 N ATOM 585 CA SER A 69 11.315 22.094 11.576 1.00 37.75 C ATOM 586 C SER A 69 10.298 22.949 10.834 1.00 42.59 C ATOM 587 O SER A 69 9.982 22.682 9.668 1.00 45.16 O ATOM 588 CB SER A 69 10.610 21.116 12.516 1.00 34.63 C ATOM 589 OG SER A 69 9.607 20.386 11.838 1.00 36.84 O ATOM 590 HG SER A 69 9.169 19.763 12.471 1.00 0.00 H ATOM 591 H SER A 69 12.313 22.812 13.365 1.00 0.00 H ATOM 592 N GLN A 70 9.781 23.991 11.489 1.00 40.37 N ATOM 593 CA GLN A 70 8.796 24.853 10.845 1.00 35.29 C ATOM 594 C GLN A 70 9.434 25.719 9.766 1.00 27.92 C ATOM 595 O GLN A 70 8.829 25.948 8.713 1.00 32.55 O ATOM 596 CB GLN A 70 8.093 25.719 11.889 1.00 37.03 C ATOM 597 CG GLN A 70 7.074 24.954 12.709 1.00 42.27 C ATOM 598 CD GLN A 70 6.162 24.109 11.837 1.00 54.25 C ATOM 599 OE1 GLN A 70 6.147 22.881 11.942 1.00 61.40 O ATOM 600 NE2 GLN A 70 5.402 24.763 10.965 1.00 57.15 N ATOM 601 HE22 GLN A 70 5.447 25.801 10.911 1.00 0.00 H ATOM 602 HE21 GLN A 70 4.762 24.237 10.336 1.00 0.00 H ATOM 603 H GLN A 70 10.082 24.189 12.464 1.00 0.00 H ATOM 604 N ILE A 71 10.650 26.209 10.007 1.00 26.36 N ATOM 605 CA ILE A 71 11.332 27.017 8.999 1.00 32.41 C ATOM 606 C ILE A 71 11.540 26.212 7.723 1.00 38.82 C ATOM 607 O ILE A 71 11.278 26.697 6.615 1.00 37.59 O ATOM 608 CB ILE A 71 12.668 27.554 9.550 1.00 29.96 C ATOM 609 CG1 ILE A 71 12.425 28.547 10.689 1.00 27.72 C ATOM 610 CG2 ILE A 71 13.499 28.183 8.433 1.00 28.33 C ATOM 611 CD1 ILE A 71 13.667 28.888 11.479 1.00 25.91 C ATOM 612 H ILE A 71 11.115 26.015 10.917 1.00 0.00 H ATOM 613 N ASP A 72 11.994 24.963 7.858 1.00 38.26 N ATOM 614 CA ASP A 72 12.252 24.149 6.677 1.00 38.58 C ATOM 615 C ASP A 72 10.984 23.916 5.865 1.00 42.35 C ATOM 616 O ASP A 72 11.055 23.761 4.640 1.00 41.87 O ATOM 617 CB ASP A 72 12.875 22.815 7.082 1.00 37.61 C ATOM 618 CG ASP A 72 13.254 21.962 5.885 1.00 42.61 C ATOM 619 OD1 ASP A 72 14.186 22.345 5.148 1.00 45.91 O ATOM 620 OD2 ASP A 72 12.619 20.910 5.676 1.00 46.87 O ATOM 621 H ASP A 72 12.163 24.571 8.806 1.00 0.00 H ATOM 622 N LYS A 73 9.818 23.898 6.522 1.00 40.26 N ATOM 623 CA LYS A 73 8.573 23.606 5.817 1.00 42.24 C ATOM 624 C LYS A 73 8.146 24.751 4.906 1.00 43.84 C ATOM 625 O LYS A 73 7.464 24.516 3.901 1.00 49.52 O ATOM 626 CB LYS A 73 7.460 23.283 6.815 1.00 45.10 C ATOM 627 CG LYS A 73 7.471 21.847 7.328 1.00 49.87 C ATOM 628 CD LYS A 73 6.124 21.479 7.937 1.00 57.26 C ATOM 629 CE LYS A 73 6.054 20.006 8.326 1.00 62.74 C ATOM 630 NZ LYS A 73 6.777 19.720 9.596 1.00 63.56 N ATOM 631 HZ1 LYS A 73 7.779 19.977 9.489 1.00 0.00 H ATOM 632 HZ2 LYS A 73 6.355 20.277 10.366 1.00 0.00 H ATOM 633 HZ3 LYS A 73 6.700 18.707 9.817 1.00 0.00 H ATOM 634 H LYS A 73 9.799 24.094 7.543 1.00 0.00 H ATOM 635 N LEU A 74 8.525 25.985 5.234 1.00 39.20 N ATOM 636 CA LEU A 74 8.166 27.128 4.404 1.00 37.76 C ATOM 637 C LEU A 74 8.580 26.893 2.959 1.00 38.38 C ATOM 638 O LEU A 74 9.698 26.455 2.682 1.00 39.42 O ATOM 639 CB LEU A 74 8.825 28.400 4.938 1.00 34.50 C ATOM 640 CG LEU A 74 8.438 28.848 6.346 1.00 33.89 C ATOM 641 CD1 LEU A 74 9.324 29.999 6.782 1.00 31.08 C ATOM 642 CD2 LEU A 74 6.965 29.235 6.411 1.00 32.54 C ATOM 643 H LEU A 74 9.086 26.135 6.097 1.00 0.00 H ATOM 644 N GLU A 75 7.668 27.195 2.034 1.00 43.92 N ATOM 645 CA GLU A 75 7.947 26.939 0.626 1.00 49.73 C ATOM 646 C GLU A 75 9.155 27.733 0.144 1.00 46.33 C ATOM 647 O GLU A 75 9.934 27.247 -0.684 1.00 47.49 O ATOM 648 CB GLU A 75 6.716 27.265 -0.219 1.00 59.70 C ATOM 649 CG GLU A 75 6.280 28.714 -0.130 1.00 68.36 C ATOM 650 CD GLU A 75 5.259 29.082 -1.186 1.00 78.32 C ATOM 651 OE1 GLU A 75 4.886 28.200 -1.989 1.00 83.02 O ATOM 652 OE2 GLU A 75 4.834 30.257 -1.215 1.00 80.44 O ATOM 653 H GLU A 75 6.759 27.613 2.317 1.00 0.00 H ATOM 654 N ASP A 76 9.333 28.951 0.652 1.00 43.73 N ATOM 655 CA ASP A 76 10.382 29.843 0.173 1.00 40.33 C ATOM 656 C ASP A 76 11.729 29.615 0.845 1.00 36.20 C ATOM 657 O ASP A 76 12.699 30.289 0.486 1.00 36.27 O ATOM 658 CB ASP A 76 9.958 31.305 0.355 1.00 38.97 C ATOM 659 CG ASP A 76 8.821 31.707 -0.573 1.00 45.44 C ATOM 660 OD1 ASP A 76 8.915 31.449 -1.791 1.00 47.41 O ATOM 661 OD2 ASP A 76 7.827 32.278 -0.079 1.00 49.95 O ATOM 662 H ASP A 76 8.704 29.276 1.414 1.00 0.00 H ATOM 663 N VAL A 77 11.823 28.685 1.792 1.00 32.85 N ATOM 664 CA VAL A 77 13.088 28.335 2.431 1.00 31.99 C ATOM 665 C VAL A 77 13.645 27.115 1.714 1.00 37.86 C ATOM 666 O VAL A 77 13.029 26.043 1.721 1.00 42.92 O ATOM 667 CB VAL A 77 12.919 28.077 3.938 1.00 30.89 C ATOM 668 CG1 VAL A 77 14.191 27.482 4.523 1.00 30.28 C ATOM 669 CG2 VAL A 77 12.593 29.370 4.655 1.00 24.20 C ATOM 670 H VAL A 77 10.960 28.187 2.089 1.00 0.00 H ATOM 671 N VAL A 78 14.804 27.283 1.078 1.00 37.17 N ATOM 672 CA VAL A 78 15.408 26.191 0.327 1.00 39.12 C ATOM 673 C VAL A 78 16.187 25.254 1.241 1.00 41.81 C ATOM 674 O VAL A 78 16.256 24.047 0.984 1.00 46.84 O ATOM 675 CB VAL A 78 16.300 26.763 -0.787 1.00 39.77 C ATOM 676 CG1 VAL A 78 17.057 25.655 -1.488 1.00 39.67 C ATOM 677 CG2 VAL A 78 15.456 27.549 -1.778 1.00 40.69 C ATOM 678 H VAL A 78 15.283 28.205 1.118 1.00 0.00 H ATOM 679 N LYS A 79 16.767 25.774 2.317 1.00 38.80 N ATOM 680 CA LYS A 79 17.597 24.975 3.204 1.00 35.81 C ATOM 681 C LYS A 79 17.784 25.736 4.507 1.00 31.65 C ATOM 682 O LYS A 79 17.789 26.969 4.523 1.00 29.76 O ATOM 683 CB LYS A 79 18.947 24.661 2.551 1.00 37.20 C ATOM 684 CG LYS A 79 19.928 23.931 3.440 1.00 43.73 C ATOM 685 CD LYS A 79 21.177 23.541 2.663 1.00 48.80 C ATOM 686 CE LYS A 79 21.841 24.755 2.036 1.00 49.75 C ATOM 687 NZ LYS A 79 23.083 24.384 1.304 1.00 52.90 N ATOM 688 HZ1 LYS A 79 23.756 23.946 1.965 1.00 0.00 H ATOM 689 HZ2 LYS A 79 22.850 23.710 0.547 1.00 0.00 H ATOM 690 HZ3 LYS A 79 23.508 25.238 0.890 1.00 0.00 H ATOM 691 H LYS A 79 16.623 26.782 2.531 1.00 0.00 H ATOM 692 N VAL A 80 17.927 24.992 5.600 1.00 34.33 N ATOM 693 CA VAL A 80 18.136 25.592 6.916 1.00 35.81 C ATOM 694 C VAL A 80 19.002 24.649 7.741 1.00 40.46 C ATOM 695 O VAL A 80 18.723 23.450 7.821 1.00 41.16 O ATOM 696 CB VAL A 80 16.801 25.899 7.630 1.00 29.18 C ATOM 697 CG1 VAL A 80 15.950 24.650 7.745 1.00 27.81 C ATOM 698 CG2 VAL A 80 17.053 26.515 8.998 1.00 27.81 C ATOM 699 H VAL A 80 17.889 23.956 5.516 1.00 0.00 H ATOM 700 N GLN A 81 20.059 25.193 8.350 1.00 42.01 N ATOM 701 CA GLN A 81 21.020 24.401 9.103 1.00 43.75 C ATOM 702 C GLN A 81 21.502 25.195 10.311 1.00 40.55 C ATOM 703 O GLN A 81 21.295 26.406 10.409 1.00 38.81 O ATOM 704 CB GLN A 81 22.208 23.990 8.228 1.00 50.67 C ATOM 705 CG GLN A 81 23.020 25.169 7.727 1.00 55.08 C ATOM 706 CD GLN A 81 24.048 24.773 6.689 1.00 60.00 C ATOM 707 OE1 GLN A 81 23.928 23.729 6.045 1.00 63.98 O ATOM 708 NE2 GLN A 81 25.070 25.609 6.519 1.00 55.93 N ATOM 709 HE22 GLN A 81 25.130 26.479 7.085 1.00 0.00 H ATOM 710 HE21 GLN A 81 25.809 25.392 5.820 1.00 0.00 H ATOM 711 H GLN A 81 20.201 26.221 8.284 1.00 0.00 H ATOM 712 N ARG A 82 22.158 24.495 11.233 1.00 44.08 N ATOM 713 CA ARG A 82 22.714 25.066 12.452 1.00 47.66 C ATOM 714 C ARG A 82 24.239 25.060 12.392 1.00 53.86 C ATOM 715 O ARG A 82 24.844 24.551 11.447 1.00 56.76 O ATOM 716 CB ARG A 82 22.238 24.289 13.682 1.00 52.52 C ATOM 717 CG ARG A 82 20.774 24.461 14.039 1.00 56.64 C ATOM 718 CD ARG A 82 20.342 23.427 15.086 1.00 62.56 C ATOM 719 NE ARG A 82 21.145 23.493 16.306 1.00 64.66 N ATOM 720 CZ ARG A 82 20.659 23.750 17.517 1.00 66.21 C ATOM 721 NH1 ARG A 82 19.361 23.955 17.690 1.00 65.73 N ATOM 722 NH2 ARG A 82 21.476 23.791 18.561 1.00 69.74 N ATOM 723 HE ARG A 82 22.168 23.327 16.221 1.00 0.00 H ATOM 724 HH12 ARG A 82 18.988 24.155 18.640 1.00 0.00 H ATOM 725 HH11 ARG A 82 18.715 23.915 16.876 1.00 0.00 H ATOM 726 HH22 ARG A 82 21.099 23.992 19.509 1.00 0.00 H ATOM 727 HH21 ARG A 82 22.494 23.622 18.432 1.00 0.00 H ATOM 728 H ARG A 82 22.282 23.475 11.073 1.00 0.00 H ATOM 729 N ASN A 83 24.848 25.642 13.428 1.00 59.93 N ATOM 730 CA ASN A 83 26.272 25.518 13.732 1.00 71.71 C ATOM 731 C ASN A 83 27.148 25.240 12.517 1.00 70.63 C ATOM 732 O ASN A 83 27.976 24.328 12.541 1.00 72.23 O ATOM 733 CB ASN A 83 26.479 24.416 14.776 1.00 86.61 C ATOM 734 CG ASN A 83 27.935 24.271 15.218 1.00 98.10 C ATOM 735 OD1 ASN A 83 28.763 25.174 15.043 1.00100.24 O ATOM 736 ND2 ASN A 83 28.250 23.118 15.792 1.00103.43 N ATOM 737 HD22 ASN A 83 27.523 22.385 15.920 1.00 0.00 H ATOM 738 HD21 ASN A 83 29.224 22.946 16.114 1.00 0.00 H ATOM 739 H ASN A 83 24.267 26.225 14.064 1.00 0.00 H ATOM 740 N GLN A 84 26.988 26.010 11.448 1.00 69.34 N ATOM 741 CA GLN A 84 27.938 25.962 10.348 1.00 74.77 C ATOM 742 C GLN A 84 28.637 27.296 10.131 1.00 76.61 C ATOM 743 O GLN A 84 29.479 27.406 9.228 1.00 77.96 O ATOM 744 CB GLN A 84 27.246 25.498 9.056 1.00 74.62 C ATOM 745 CG GLN A 84 26.763 24.036 9.102 1.00 79.73 C ATOM 746 CD GLN A 84 27.870 23.038 9.457 1.00 88.35 C ATOM 747 OE1 GLN A 84 29.041 23.248 9.138 1.00 90.99 O ATOM 748 NE2 GLN A 84 27.496 21.950 10.125 1.00 92.11 N ATOM 749 HE22 GLN A 84 26.496 21.811 10.375 1.00 0.00 H ATOM 750 HE21 GLN A 84 28.204 21.238 10.397 1.00 0.00 H ATOM 751 H GLN A 84 26.174 26.655 11.396 1.00 0.00 H ATOM 752 N SER A 85 28.329 28.299 10.945 1.00 79.36 N ATOM 753 CA SER A 85 28.924 29.620 10.847 1.00 78.97 C ATOM 754 C SER A 85 29.772 29.900 12.081 1.00 80.71 C ATOM 755 O SER A 85 29.710 29.190 13.088 1.00 86.64 O ATOM 756 CB SER A 85 27.841 30.695 10.708 1.00 77.27 C ATOM 757 OG SER A 85 26.914 30.364 9.690 1.00 78.29 O ATOM 758 HG SER A 85 27.390 30.282 8.826 1.00 0.00 H ATOM 759 H SER A 85 27.625 28.130 11.692 1.00 0.00 H ATOM 760 N ASP A 86 30.581 30.947 11.985 1.00 73.89 N ATOM 761 CA ASP A 86 31.356 31.426 13.119 1.00 66.12 C ATOM 762 C ASP A 86 30.395 31.881 14.214 1.00 56.59 C ATOM 763 O ASP A 86 29.629 32.832 13.995 1.00 48.08 O ATOM 764 CB ASP A 86 32.277 32.564 12.675 1.00 67.02 C ATOM 765 CG ASP A 86 33.196 33.056 13.783 1.00 71.90 C ATOM 766 OD1 ASP A 86 32.778 33.093 14.958 1.00 73.55 O ATOM 767 OD2 ASP A 86 34.356 33.395 13.472 1.00 75.96 O ATOM 768 H ASP A 86 30.664 31.440 11.073 1.00 0.00 H ATOM 769 N PRO A 87 30.384 31.237 15.384 1.00 53.92 N ATOM 770 CA PRO A 87 29.399 31.615 16.413 1.00 49.84 C ATOM 771 C PRO A 87 29.483 33.073 16.838 1.00 43.74 C ATOM 772 O PRO A 87 28.499 33.604 17.367 1.00 39.08 O ATOM 773 CB PRO A 87 29.717 30.662 17.574 1.00 51.79 C ATOM 774 CG PRO A 87 31.126 30.222 17.337 1.00 55.17 C ATOM 775 CD PRO A 87 31.283 30.168 15.846 1.00 54.73 C ATOM 776 N THR A 88 30.619 33.738 16.621 1.00 41.97 N ATOM 777 CA THR A 88 30.808 35.131 17.010 1.00 40.68 C ATOM 778 C THR A 88 30.766 36.082 15.815 1.00 36.73 C ATOM 779 O THR A 88 31.309 37.187 15.890 1.00 38.40 O ATOM 780 CB THR A 88 32.130 35.295 17.764 1.00 47.32 C ATOM 781 OG1 THR A 88 33.222 34.923 16.912 1.00 52.70 O ATOM 782 CG2 THR A 88 32.152 34.416 19.003 1.00 50.22 C ATOM 783 HG1 THR A 88 33.116 33.978 16.636 1.00 0.00 H ATOM 784 H THR A 88 31.404 33.241 16.154 1.00 0.00 H ATOM 785 N MET A 89 30.124 35.681 14.714 1.00 32.07 N ATOM 786 CA MET A 89 30.167 36.491 13.500 1.00 28.89 C ATOM 787 C MET A 89 29.538 37.865 13.707 1.00 28.20 C ATOM 788 O MET A 89 30.004 38.855 13.135 1.00 29.93 O ATOM 789 CB MET A 89 29.473 35.766 12.348 1.00 28.08 C ATOM 790 CG MET A 89 28.014 35.447 12.588 1.00 27.59 C ATOM 791 SD MET A 89 27.198 34.859 11.092 1.00 31.21 S ATOM 792 CE MET A 89 26.979 36.399 10.214 1.00 26.71 C ATOM 793 H MET A 89 29.591 34.788 14.722 1.00 0.00 H ATOM 794 N PHE A 90 28.471 37.950 14.504 1.00 27.55 N ATOM 795 CA PHE A 90 27.821 39.239 14.711 1.00 25.17 C ATOM 796 C PHE A 90 28.595 40.141 15.662 1.00 27.78 C ATOM 797 O PHE A 90 28.432 41.363 15.597 1.00 27.12 O ATOM 798 CB PHE A 90 26.387 39.044 15.199 1.00 23.25 C ATOM 799 CG PHE A 90 25.476 38.466 14.152 1.00 24.92 C ATOM 800 CD1 PHE A 90 24.902 39.280 13.192 1.00 24.61 C ATOM 801 CD2 PHE A 90 25.207 37.106 14.120 1.00 24.44 C ATOM 802 CE1 PHE A 90 24.076 38.750 12.219 1.00 21.12 C ATOM 803 CE2 PHE A 90 24.375 36.572 13.156 1.00 22.03 C ATOM 804 CZ PHE A 90 23.808 37.394 12.207 1.00 20.90 C ATOM 805 H PHE A 90 28.104 37.099 14.976 1.00 0.00 H ATOM 806 N ASN A 91 29.411 39.570 16.554 1.00 30.87 N ATOM 807 CA ASN A 91 30.370 40.379 17.302 1.00 34.65 C ATOM 808 C ASN A 91 31.418 40.982 16.375 1.00 33.39 C ATOM 809 O ASN A 91 31.826 42.135 16.556 1.00 31.63 O ATOM 810 CB ASN A 91 31.051 39.541 18.383 1.00 45.75 C ATOM 811 CG ASN A 91 30.099 39.106 19.469 1.00 54.02 C ATOM 812 OD1 ASN A 91 29.423 39.931 20.081 1.00 57.08 O ATOM 813 ND2 ASN A 91 30.041 37.803 19.718 1.00 57.20 N ATOM 814 HD22 ASN A 91 30.632 37.143 19.174 1.00 0.00 H ATOM 815 HD21 ASN A 91 29.404 37.443 20.457 1.00 0.00 H ATOM 816 H ASN A 91 29.363 38.544 16.716 1.00 0.00 H ATOM 817 N LYS A 92 31.888 40.206 15.393 1.00 31.52 N ATOM 818 CA LYS A 92 32.903 40.709 14.471 1.00 31.30 C ATOM 819 C LYS A 92 32.333 41.777 13.547 1.00 27.56 C ATOM 820 O LYS A 92 33.020 42.750 13.215 1.00 28.84 O ATOM 821 CB LYS A 92 33.492 39.560 13.653 1.00 29.79 C ATOM 822 CG LYS A 92 34.078 38.424 14.472 1.00 34.08 C ATOM 823 CD LYS A 92 34.554 37.307 13.561 1.00 35.42 C ATOM 824 CE LYS A 92 35.551 36.412 14.256 1.00 44.08 C ATOM 825 NZ LYS A 92 35.900 35.247 13.400 1.00 53.53 N ATOM 826 HZ1 LYS A 92 35.040 34.698 13.196 1.00 0.00 H ATOM 827 HZ2 LYS A 92 36.316 35.585 12.509 1.00 0.00 H ATOM 828 HZ3 LYS A 92 36.587 34.646 13.898 1.00 0.00 H ATOM 829 H LYS A 92 31.528 39.236 15.285 1.00 0.00 H ATOM 830 N ILE A 93 31.080 41.611 13.118 1.00 31.65 N ATOM 831 CA ILE A 93 30.439 42.626 12.290 1.00 29.21 C ATOM 832 C ILE A 93 30.259 43.918 13.076 1.00 31.37 C ATOM 833 O ILE A 93 30.445 45.017 12.541 1.00 32.17 O ATOM 834 CB ILE A 93 29.100 42.104 11.736 1.00 26.61 C ATOM 835 CG1 ILE A 93 29.339 40.965 10.741 1.00 25.01 C ATOM 836 CG2 ILE A 93 28.317 43.228 11.083 1.00 28.48 C ATOM 837 CD1 ILE A 93 28.084 40.275 10.286 1.00 23.83 C ATOM 838 H ILE A 93 30.556 40.750 13.376 1.00 0.00 H ATOM 839 N ALA A 94 29.912 43.811 14.360 1.00 33.78 N ATOM 840 CA ALA A 94 29.685 45.010 15.159 1.00 34.35 C ATOM 841 C ALA A 94 30.949 45.845 15.295 1.00 34.58 C ATOM 842 O ALA A 94 30.868 47.070 15.433 1.00 36.24 O ATOM 843 CB ALA A 94 29.149 44.630 16.541 1.00 36.44 C ATOM 844 H ALA A 94 29.803 42.871 14.792 1.00 0.00 H ATOM 845 N VAL A 95 32.123 45.211 15.253 1.00 38.46 N ATOM 846 CA VAL A 95 33.370 45.961 15.382 1.00 38.09 C ATOM 847 C VAL A 95 33.479 47.024 14.294 1.00 36.84 C ATOM 848 O VAL A 95 34.061 48.092 14.515 1.00 43.02 O ATOM 849 CB VAL A 95 34.575 44.994 15.369 1.00 36.69 C ATOM 850 CG1 VAL A 95 35.890 45.761 15.261 1.00 36.97 C ATOM 851 CG2 VAL A 95 34.567 44.119 16.617 1.00 34.58 C ATOM 852 H VAL A 95 32.150 44.179 15.128 1.00 0.00 H ATOM 853 N PHE A 96 32.902 46.772 13.119 1.00 36.71 N ATOM 854 CA PHE A 96 33.046 47.668 11.981 1.00 35.48 C ATOM 855 C PHE A 96 31.804 48.490 11.661 1.00 35.73 C ATOM 856 O PHE A 96 31.903 49.435 10.871 1.00 40.59 O ATOM 857 CB PHE A 96 33.469 46.873 10.738 1.00 33.05 C ATOM 858 CG PHE A 96 34.840 46.268 10.853 1.00 39.85 C ATOM 859 CD1 PHE A 96 35.968 47.028 10.588 1.00 39.94 C ATOM 860 CD2 PHE A 96 35.007 44.952 11.244 1.00 42.56 C ATOM 861 CE1 PHE A 96 37.236 46.483 10.699 1.00 42.06 C ATOM 862 CE2 PHE A 96 36.279 44.403 11.358 1.00 35.36 C ATOM 863 CZ PHE A 96 37.389 45.170 11.085 1.00 38.15 C ATOM 864 H PHE A 96 32.332 45.909 13.012 1.00 0.00 H ATOM 865 N PHE A 97 30.648 48.177 12.250 1.00 38.00 N ATOM 866 CA PHE A 97 29.419 48.906 11.954 1.00 38.56 C ATOM 867 C PHE A 97 28.724 49.480 13.183 1.00 41.88 C ATOM 868 O PHE A 97 27.650 50.077 13.046 1.00 44.98 O ATOM 869 CB PHE A 97 28.463 48.010 11.151 1.00 32.39 C ATOM 870 CG PHE A 97 29.011 47.636 9.797 1.00 32.74 C ATOM 871 CD1 PHE A 97 28.823 48.466 8.706 1.00 35.67 C ATOM 872 CD2 PHE A 97 29.759 46.483 9.628 1.00 30.82 C ATOM 873 CE1 PHE A 97 29.350 48.141 7.465 1.00 35.26 C ATOM 874 CE2 PHE A 97 30.284 46.153 8.390 1.00 31.35 C ATOM 875 CZ PHE A 97 30.079 46.983 7.309 1.00 33.34 C ATOM 876 H PHE A 97 30.622 47.396 12.936 1.00 0.00 H ATOM 877 N GLN A 98 29.304 49.335 14.369 1.00 45.91 N ATOM 878 CA GLN A 98 28.815 50.021 15.561 1.00 47.73 C ATOM 879 C GLN A 98 29.970 50.628 16.341 1.00 47.69 C ATOM 880 O GLN A 98 31.134 50.406 16.015 1.00 48.43 O ATOM 881 CB GLN A 98 28.031 49.075 16.464 1.00 52.03 C ATOM 882 CG GLN A 98 26.704 48.629 15.910 1.00 52.32 C ATOM 883 CD GLN A 98 25.988 47.708 16.866 1.00 56.48 C ATOM 884 OE1 GLN A 98 26.613 46.892 17.548 1.00 56.87 O ATOM 885 NE2 GLN A 98 24.671 47.851 16.946 1.00 58.86 N ATOM 886 OXT GLN A 98 29.768 51.350 17.316 1.00 50.89 O ATOM 887 HE22 GLN A 98 24.187 48.553 16.350 1.00 0.00 H ATOM 888 HE21 GLN A 98 24.123 47.261 17.604 1.00 0.00 H ATOM 889 H GLN A 98 30.133 48.713 14.451 1.00 0.00 H TER 890 GLN A 98 ATOM 891 N ASP B 9 19.357 54.117 -7.117 1.00 90.20 N ATOM 892 CA ASP B 9 19.084 52.689 -7.236 1.00 84.62 C ATOM 893 C ASP B 9 18.612 52.121 -5.902 1.00 63.73 C ATOM 894 O ASP B 9 17.418 52.133 -5.608 1.00 58.92 O ATOM 895 CB ASP B 9 20.327 51.943 -7.724 1.00 94.99 C ATOM 896 CG ASP B 9 20.013 50.543 -8.211 1.00100.40 C ATOM 897 OD1 ASP B 9 19.021 49.954 -7.731 1.00100.94 O ATOM 898 OD2 ASP B 9 20.756 50.033 -9.077 1.00103.02 O ATOM 899 HN3 ASP B 9 20.099 54.269 -6.404 1.00 0.00 H ATOM 900 HN2 ASP B 9 18.489 54.612 -6.827 1.00 0.00 H ATOM 901 HN1 ASP B 9 19.677 54.485 -8.035 1.00 0.00 H ATOM 902 N ASN B 10 19.550 51.618 -5.104 1.00 54.30 N ATOM 903 CA ASN B 10 19.236 51.136 -3.767 1.00 47.00 C ATOM 904 C ASN B 10 19.472 52.235 -2.737 1.00 40.11 C ATOM 905 O ASN B 10 20.225 53.184 -2.962 1.00 45.44 O ATOM 906 CB ASN B 10 20.077 49.907 -3.408 1.00 49.86 C ATOM 907 CG ASN B 10 19.536 48.618 -4.015 1.00 53.75 C ATOM 908 OD1 ASN B 10 18.377 48.543 -4.426 1.00 58.23 O ATOM 909 ND2 ASN B 10 20.375 47.590 -4.054 1.00 51.16 N ATOM 910 HD22 ASN B 10 21.346 47.697 -3.696 1.00 0.00 H ATOM 911 HD21 ASN B 10 20.062 46.678 -4.442 1.00 0.00 H ATOM 912 H ASN B 10 20.532 51.568 -5.444 1.00 0.00 H ATOM 913 N VAL B 11 18.815 52.087 -1.589 1.00 41.57 N ATOM 914 CA VAL B 11 18.968 53.005 -0.468 1.00 43.91 C ATOM 915 C VAL B 11 19.041 52.193 0.820 1.00 36.01 C ATOM 916 O VAL B 11 18.519 51.078 0.905 1.00 34.16 O ATOM 917 CB VAL B 11 17.822 54.046 -0.410 1.00 45.86 C ATOM 918 CG1 VAL B 11 17.832 54.919 -1.654 1.00 52.22 C ATOM 919 CG2 VAL B 11 16.477 53.362 -0.257 1.00 46.03 C ATOM 920 H VAL B 11 18.165 51.282 -1.488 1.00 0.00 H ATOM 921 N ILE B 12 19.697 52.760 1.829 1.00 34.07 N ATOM 922 CA ILE B 12 19.892 52.101 3.114 1.00 31.33 C ATOM 923 C ILE B 12 19.043 52.820 4.147 1.00 32.84 C ATOM 924 O ILE B 12 19.223 54.021 4.378 1.00 40.80 O ATOM 925 CB ILE B 12 21.371 52.111 3.532 1.00 35.83 C ATOM 926 CG1 ILE B 12 22.223 51.339 2.524 1.00 37.20 C ATOM 927 CG2 ILE B 12 21.535 51.550 4.941 1.00 33.88 C ATOM 928 CD1 ILE B 12 23.138 50.328 3.150 1.00 37.41 C ATOM 929 H ILE B 12 20.087 53.715 1.695 1.00 0.00 H ATOM 930 N LEU B 13 18.138 52.087 4.787 1.00 28.92 N ATOM 931 CA LEU B 13 17.364 52.605 5.906 1.00 26.25 C ATOM 932 C LEU B 13 17.975 52.117 7.211 1.00 24.47 C ATOM 933 O LEU B 13 18.302 50.935 7.343 1.00 28.45 O ATOM 934 CB LEU B 13 15.901 52.179 5.813 1.00 27.12 C ATOM 935 CG LEU B 13 15.159 52.657 4.571 1.00 32.91 C ATOM 936 CD1 LEU B 13 13.703 52.264 4.672 1.00 33.70 C ATOM 937 CD2 LEU B 13 15.296 54.162 4.406 1.00 37.22 C ATOM 938 H LEU B 13 17.977 51.107 4.477 1.00 0.00 H ATOM 939 N GLU B 14 18.143 53.032 8.161 1.00 29.91 N ATOM 940 CA GLU B 14 18.657 52.719 9.488 1.00 33.90 C ATOM 941 C GLU B 14 17.544 52.874 10.514 1.00 34.08 C ATOM 942 O GLU B 14 16.901 53.928 10.579 1.00 36.23 O ATOM 943 CB GLU B 14 19.824 53.632 9.862 1.00 39.15 C ATOM 944 CG GLU B 14 21.118 53.345 9.146 1.00 45.76 C ATOM 945 CD GLU B 14 22.273 54.111 9.748 1.00 56.01 C ATOM 946 OE1 GLU B 14 22.458 54.034 10.980 1.00 60.00 O ATOM 947 OE2 GLU B 14 22.984 54.806 8.996 1.00 63.08 O ATOM 948 H GLU B 14 17.896 54.019 7.946 1.00 0.00 H ATOM 949 N LEU B 15 17.321 51.834 11.314 1.00 31.93 N ATOM 950 CA LEU B 15 16.312 51.856 12.364 1.00 29.49 C ATOM 951 C LEU B 15 16.953 51.569 13.716 1.00 27.37 C ATOM 952 O LEU B 15 17.864 50.743 13.816 1.00 30.27 O ATOM 953 CB LEU B 15 15.204 50.826 12.104 1.00 27.04 C ATOM 954 CG LEU B 15 14.312 50.968 10.868 1.00 27.79 C ATOM 955 CD1 LEU B 15 15.100 50.677 9.608 1.00 29.64 C ATOM 956 CD2 LEU B 15 13.100 50.062 10.967 1.00 25.31 C ATOM 957 H LEU B 15 17.889 50.973 11.184 1.00 0.00 H ATOM 958 N THR B 16 16.474 52.254 14.751 1.00 28.49 N ATOM 959 CA THR B 16 16.729 51.881 16.138 1.00 28.65 C ATOM 960 C THR B 16 15.415 51.372 16.710 1.00 29.86 C ATOM 961 O THR B 16 14.413 52.095 16.700 1.00 30.13 O ATOM 962 CB THR B 16 17.257 53.054 16.966 1.00 31.95 C ATOM 963 OG1 THR B 16 18.466 53.556 16.387 1.00 35.97 O ATOM 964 CG2 THR B 16 17.554 52.601 18.381 1.00 31.70 C ATOM 965 HG1 THR B 16 18.800 54.314 16.929 1.00 0.00 H ATOM 966 H THR B 16 15.891 53.094 14.563 1.00 0.00 H ATOM 967 N VAL B 17 15.415 50.128 17.185 1.00 28.80 N ATOM 968 CA VAL B 17 14.197 49.444 17.594 1.00 29.17 C ATOM 969 C VAL B 17 14.435 48.757 18.931 1.00 32.11 C ATOM 970 O VAL B 17 15.569 48.593 19.380 1.00 34.13 O ATOM 971 CB VAL B 17 13.733 48.412 16.546 1.00 25.86 C ATOM 972 CG1 VAL B 17 13.601 49.059 15.180 1.00 25.13 C ATOM 973 CG2 VAL B 17 14.698 47.246 16.498 1.00 27.81 C ATOM 974 H VAL B 17 16.322 49.625 17.267 1.00 0.00 H ATOM 975 N ARG B 18 13.337 48.336 19.557 1.00 36.05 N ATOM 976 CA ARG B 18 13.423 47.527 20.764 1.00 40.91 C ATOM 977 C ARG B 18 13.792 46.094 20.408 1.00 36.67 C ATOM 978 O ARG B 18 13.259 45.513 19.457 1.00 35.04 O ATOM 979 CB ARG B 18 12.104 47.554 21.538 1.00 45.19 C ATOM 980 CG ARG B 18 11.760 48.918 22.106 1.00 57.12 C ATOM 981 CD ARG B 18 10.433 48.915 22.852 1.00 67.68 C ATOM 982 NE ARG B 18 10.548 48.402 24.216 1.00 75.78 N ATOM 983 CZ ARG B 18 9.995 47.272 24.644 1.00 78.62 C ATOM 984 NH1 ARG B 18 9.278 46.526 23.813 1.00 79.10 N ATOM 985 NH2 ARG B 18 10.152 46.892 25.904 1.00 79.83 N ATOM 986 HE ARG B 18 11.100 48.960 24.898 1.00 0.00 H ATOM 987 HH12 ARG B 18 8.846 45.642 24.149 1.00 0.00 H ATOM 988 HH11 ARG B 18 9.148 46.826 22.826 1.00 0.00 H ATOM 989 HH22 ARG B 18 9.719 46.008 26.238 1.00 0.00 H ATOM 990 HH21 ARG B 18 10.708 47.478 26.558 1.00 0.00 H ATOM 991 H ARG B 18 12.403 48.590 19.177 1.00 0.00 H ATOM 992 N ASN B 19 14.722 45.532 21.176 1.00 33.26 N ATOM 993 CA ASN B 19 15.186 44.164 20.961 1.00 30.86 C ATOM 994 C ASN B 19 14.271 43.184 21.696 1.00 36.37 C ATOM 995 O ASN B 19 14.596 42.623 22.745 1.00 36.39 O ATOM 996 CB ASN B 19 16.633 44.018 21.404 1.00 28.32 C ATOM 997 CG ASN B 19 17.231 42.710 20.971 1.00 28.84 C ATOM 998 OD1 ASN B 19 16.641 41.983 20.173 1.00 28.17 O ATOM 999 ND2 ASN B 19 18.407 42.395 21.496 1.00 30.43 N ATOM 1000 HD22 ASN B 19 18.867 43.043 22.167 1.00 0.00 H ATOM 1001 HD21 ASN B 19 18.869 41.500 21.237 1.00 0.00 H ATOM 1002 H ASN B 19 15.132 46.085 21.955 1.00 0.00 H ATOM 1003 N HIS B 20 13.091 42.999 21.124 1.00 38.68 N ATOM 1004 CA HIS B 20 12.092 42.106 21.681 1.00 41.49 C ATOM 1005 C HIS B 20 11.365 41.403 20.548 1.00 31.23 C ATOM 1006 O HIS B 20 11.361 41.881 19.409 1.00 27.73 O ATOM 1007 CB HIS B 20 11.108 42.856 22.587 1.00 61.65 C ATOM 1008 CG HIS B 20 11.703 43.264 23.900 1.00 81.40 C ATOM 1009 ND1 HIS B 20 11.553 44.526 24.433 1.00 87.34 N ATOM 1010 CD2 HIS B 20 12.456 42.569 24.787 1.00 87.09 C ATOM 1011 CE1 HIS B 20 12.186 44.592 25.591 1.00 89.82 C ATOM 1012 NE2 HIS B 20 12.742 43.417 25.829 1.00 88.84 N ATOM 1013 H HIS B 20 12.873 43.511 20.246 1.00 0.00 H ATOM 1014 N PRO B 21 10.752 40.257 20.831 1.00 31.22 N ATOM 1015 CA PRO B 21 10.209 39.413 19.760 1.00 30.99 C ATOM 1016 C PRO B 21 9.136 40.113 18.940 1.00 29.10 C ATOM 1017 O PRO B 21 8.329 40.885 19.457 1.00 34.90 O ATOM 1018 CB PRO B 21 9.634 38.214 20.520 1.00 33.90 C ATOM 1019 CG PRO B 21 10.374 38.192 21.811 1.00 34.01 C ATOM 1020 CD PRO B 21 10.640 39.619 22.151 1.00 32.13 C ATOM 1021 N GLY B 22 9.133 39.824 17.642 1.00 28.38 N ATOM 1022 CA GLY B 22 8.116 40.328 16.751 1.00 31.69 C ATOM 1023 C GLY B 22 8.428 41.652 16.096 1.00 29.85 C ATOM 1024 O GLY B 22 7.674 42.078 15.213 1.00 30.54 O ATOM 1025 H GLY B 22 9.885 39.217 17.258 1.00 0.00 H ATOM 1026 N VAL B 23 9.509 42.321 16.493 1.00 30.42 N ATOM 1027 CA VAL B 23 9.783 43.647 15.952 1.00 29.54 C ATOM 1028 C VAL B 23 10.162 43.556 14.476 1.00 25.60 C ATOM 1029 O VAL B 23 9.658 44.316 13.645 1.00 30.17 O ATOM 1030 CB VAL B 23 10.872 44.353 16.778 1.00 31.06 C ATOM 1031 CG1 VAL B 23 11.192 45.702 16.171 1.00 34.37 C ATOM 1032 CG2 VAL B 23 10.423 44.514 18.218 1.00 31.53 C ATOM 1033 H VAL B 23 10.157 41.898 17.188 1.00 0.00 H ATOM 1034 N MET B 24 11.035 42.613 14.121 1.00 25.77 N ATOM 1035 CA MET B 24 11.426 42.483 12.720 1.00 26.67 C ATOM 1036 C MET B 24 10.258 42.035 11.843 1.00 30.91 C ATOM 1037 O MET B 24 10.207 42.384 10.659 1.00 31.29 O ATOM 1038 CB MET B 24 12.600 41.514 12.586 1.00 26.26 C ATOM 1039 CG MET B 24 13.198 41.443 11.181 1.00 28.46 C ATOM 1040 SD MET B 24 13.916 42.987 10.581 1.00 30.26 S ATOM 1041 CE MET B 24 15.580 42.882 11.229 1.00 26.74 C ATOM 1042 H MET B 24 11.435 41.974 14.837 1.00 0.00 H ATOM 1043 N THR B 25 9.323 41.257 12.393 1.00 31.00 N ATOM 1044 CA THR B 25 8.152 40.847 11.621 1.00 27.03 C ATOM 1045 C THR B 25 7.266 42.040 11.280 1.00 28.36 C ATOM 1046 O THR B 25 6.741 42.129 10.165 1.00 30.09 O ATOM 1047 CB THR B 25 7.360 39.794 12.392 1.00 29.99 C ATOM 1048 OG1 THR B 25 8.241 38.742 12.793 1.00 31.11 O ATOM 1049 CG2 THR B 25 6.272 39.207 11.520 1.00 33.22 C ATOM 1050 HG1 THR B 25 8.953 39.112 13.372 1.00 0.00 H ATOM 1051 H THR B 25 9.429 40.940 13.378 1.00 0.00 H ATOM 1052 N HIS B 26 7.075 42.957 12.232 1.00 28.08 N ATOM 1053 CA HIS B 26 6.305 44.167 11.955 1.00 27.11 C ATOM 1054 C HIS B 26 6.955 44.993 10.855 1.00 28.45 C ATOM 1055 O HIS B 26 6.283 45.443 9.921 1.00 30.44 O ATOM 1056 CB HIS B 26 6.166 45.006 13.224 1.00 24.81 C ATOM 1057 CG HIS B 26 5.234 44.427 14.236 1.00 27.97 C ATOM 1058 ND1 HIS B 26 3.924 44.115 13.944 1.00 31.36 N ATOM 1059 CD2 HIS B 26 5.414 44.122 15.542 1.00 29.12 C ATOM 1060 CE1 HIS B 26 3.339 43.633 15.026 1.00 34.13 C ATOM 1061 NE2 HIS B 26 4.221 43.628 16.010 1.00 32.71 N ATOM 1062 H HIS B 26 7.478 42.808 13.179 1.00 0.00 H ATOM 1063 N VAL B 27 8.267 45.213 10.959 1.00 29.05 N ATOM 1064 CA VAL B 27 8.969 46.061 9.998 1.00 27.16 C ATOM 1065 C VAL B 27 8.937 45.438 8.608 1.00 30.65 C ATOM 1066 O VAL B 27 8.537 46.080 7.630 1.00 35.84 O ATOM 1067 CB VAL B 27 10.412 46.321 10.465 1.00 28.05 C ATOM 1068 CG1 VAL B 27 11.210 47.004 9.361 1.00 30.22 C ATOM 1069 CG2 VAL B 27 10.414 47.169 11.727 1.00 26.29 C ATOM 1070 H VAL B 27 8.799 44.774 11.737 1.00 0.00 H ATOM 1071 N CYS B 28 9.365 44.178 8.495 1.00 26.04 N ATOM 1072 CA CYS B 28 9.368 43.537 7.185 1.00 27.29 C ATOM 1073 C CYS B 28 7.954 43.301 6.678 1.00 28.18 C ATOM 1074 O CYS B 28 7.729 43.291 5.464 1.00 30.71 O ATOM 1075 CB CYS B 28 10.151 42.226 7.231 1.00 28.98 C ATOM 1076 SG CYS B 28 11.931 42.439 7.458 1.00 32.53 S ATOM 1077 H CYS B 28 9.693 43.658 9.334 1.00 0.00 H ATOM 1078 N GLY B 29 6.995 43.096 7.582 1.00 23.87 N ATOM 1079 CA GLY B 29 5.618 42.930 7.156 1.00 25.82 C ATOM 1080 C GLY B 29 5.099 44.109 6.361 1.00 28.59 C ATOM 1081 O GLY B 29 4.258 43.945 5.475 1.00 29.79 O ATOM 1082 H GLY B 29 7.234 43.055 8.593 1.00 0.00 H ATOM 1083 N LEU B 30 5.587 45.313 6.665 1.00 30.90 N ATOM 1084 CA LEU B 30 5.175 46.487 5.905 1.00 32.89 C ATOM 1085 C LEU B 30 5.612 46.381 4.450 1.00 33.79 C ATOM 1086 O LEU B 30 4.871 46.776 3.542 1.00 34.27 O ATOM 1087 CB LEU B 30 5.740 47.750 6.552 1.00 32.95 C ATOM 1088 CG LEU B 30 5.085 48.107 7.885 1.00 35.74 C ATOM 1089 CD1 LEU B 30 5.886 49.164 8.618 1.00 37.71 C ATOM 1090 CD2 LEU B 30 3.661 48.591 7.641 1.00 37.57 C ATOM 1091 H LEU B 30 6.264 45.414 7.448 1.00 0.00 H ATOM 1092 N PHE B 31 6.812 45.849 4.206 1.00 33.62 N ATOM 1093 CA PHE B 31 7.260 45.636 2.834 1.00 33.53 C ATOM 1094 C PHE B 31 6.519 44.474 2.187 1.00 34.24 C ATOM 1095 O PHE B 31 6.096 44.568 1.029 1.00 35.45 O ATOM 1096 CB PHE B 31 8.767 45.382 2.803 1.00 32.24 C ATOM 1097 CG PHE B 31 9.590 46.567 3.202 1.00 33.58 C ATOM 1098 CD1 PHE B 31 9.820 46.849 4.541 1.00 34.33 C ATOM 1099 CD2 PHE B 31 10.139 47.400 2.242 1.00 36.63 C ATOM 1100 CE1 PHE B 31 10.584 47.939 4.918 1.00 32.92 C ATOM 1101 CE2 PHE B 31 10.900 48.495 2.610 1.00 40.37 C ATOM 1102 CZ PHE B 31 11.124 48.763 3.951 1.00 38.28 C ATOM 1103 H PHE B 31 7.431 45.585 4.999 1.00 0.00 H ATOM 1104 N ALA B 32 6.355 43.369 2.917 1.00 35.10 N ATOM 1105 CA ALA B 32 5.677 42.210 2.351 1.00 35.59 C ATOM 1106 C ALA B 32 4.289 42.580 1.851 1.00 38.76 C ATOM 1107 O ALA B 32 3.889 42.176 0.754 1.00 44.25 O ATOM 1108 CB ALA B 32 5.597 41.089 3.385 1.00 36.14 C ATOM 1109 H ALA B 32 6.712 43.335 3.893 1.00 0.00 H ATOM 1110 N ARG B 33 3.541 43.352 2.637 1.00 40.33 N ATOM 1111 CA ARG B 33 2.182 43.722 2.256 1.00 46.36 C ATOM 1112 C ARG B 33 2.135 44.637 1.041 1.00 44.99 C ATOM 1113 O ARG B 33 1.036 44.959 0.576 1.00 46.91 O ATOM 1114 CB ARG B 33 1.469 44.385 3.437 1.00 47.77 C ATOM 1115 CG ARG B 33 1.148 43.424 4.567 1.00 49.71 C ATOM 1116 CD ARG B 33 0.275 44.067 5.630 1.00 50.94 C ATOM 1117 NE ARG B 33 0.991 45.120 6.348 1.00 48.60 N ATOM 1118 CZ ARG B 33 1.812 44.899 7.369 1.00 45.32 C ATOM 1119 NH1 ARG B 33 2.033 43.660 7.786 1.00 48.15 N ATOM 1120 NH2 ARG B 33 2.420 45.912 7.967 1.00 41.93 N ATOM 1121 HE ARG B 33 0.849 46.103 6.040 1.00 0.00 H ATOM 1122 HH12 ARG B 33 2.676 43.487 8.585 1.00 0.00 H ATOM 1123 HH11 ARG B 33 1.564 42.861 7.314 1.00 0.00 H ATOM 1124 HH22 ARG B 33 3.062 45.735 8.766 1.00 0.00 H ATOM 1125 HH21 ARG B 33 2.256 46.885 7.638 1.00 0.00 H ATOM 1126 H ARG B 33 3.932 43.697 3.537 1.00 0.00 H ATOM 1127 N ARG B 34 3.287 45.057 0.516 1.00 43.35 N ATOM 1128 CA ARG B 34 3.347 45.946 -0.638 1.00 46.90 C ATOM 1129 C ARG B 34 4.155 45.345 -1.785 1.00 47.74 C ATOM 1130 O ARG B 34 4.515 46.060 -2.726 1.00 50.65 O ATOM 1131 CB ARG B 34 3.922 47.303 -0.225 1.00 46.60 C ATOM 1132 CG ARG B 34 3.059 48.045 0.782 1.00 53.57 C ATOM 1133 CD ARG B 34 3.782 49.234 1.390 1.00 58.48 C ATOM 1134 NE ARG B 34 2.902 50.055 2.223 1.00 64.00 N ATOM 1135 CZ ARG B 34 2.610 49.798 3.497 1.00 65.38 C ATOM 1136 NH1 ARG B 34 3.119 48.730 4.098 1.00 61.61 N ATOM 1137 NH2 ARG B 34 1.803 50.607 4.173 1.00 67.76 N ATOM 1138 HE ARG B 34 2.475 50.898 1.790 1.00 0.00 H ATOM 1139 HH12 ARG B 34 2.888 48.534 5.093 1.00 0.00 H ATOM 1140 HH11 ARG B 34 3.749 48.089 3.574 1.00 0.00 H ATOM 1141 HH22 ARG B 34 1.577 50.404 5.168 1.00 0.00 H ATOM 1142 HH21 ARG B 34 1.397 51.444 3.708 1.00 0.00 H ATOM 1143 H ARG B 34 4.178 44.738 0.947 1.00 0.00 H ATOM 1144 N ALA B 35 4.435 44.042 -1.731 1.00 46.19 N ATOM 1145 CA ALA B 35 5.264 43.371 -2.734 1.00 42.84 C ATOM 1146 C ALA B 35 6.581 44.105 -2.935 1.00 38.72 C ATOM 1147 O ALA B 35 7.120 44.165 -4.042 1.00 44.98 O ATOM 1148 CB ALA B 35 4.522 43.224 -4.063 1.00 45.56 C ATOM 1149 H ALA B 35 4.049 43.480 -0.945 1.00 0.00 H ATOM 1150 N PHE B 36 7.092 44.682 -1.855 1.00 37.86 N ATOM 1151 CA PHE B 36 8.342 45.427 -1.862 1.00 36.95 C ATOM 1152 C PHE B 36 9.432 44.510 -1.319 1.00 36.18 C ATOM 1153 O PHE B 36 9.357 44.065 -0.169 1.00 37.42 O ATOM 1154 CB PHE B 36 8.216 46.694 -1.015 1.00 31.33 C ATOM 1155 CG PHE B 36 9.193 47.774 -1.378 1.00 35.42 C ATOM 1156 CD1 PHE B 36 10.557 47.535 -1.356 1.00 37.59 C ATOM 1157 CD2 PHE B 36 8.748 49.041 -1.709 1.00 41.07 C ATOM 1158 CE1 PHE B 36 11.463 48.534 -1.684 1.00 35.09 C ATOM 1159 CE2 PHE B 36 9.647 50.045 -2.033 1.00 45.57 C ATOM 1160 CZ PHE B 36 11.008 49.788 -2.017 1.00 40.24 C ATOM 1161 H PHE B 36 6.573 44.598 -0.958 1.00 0.00 H ATOM 1162 N ASN B 37 10.427 44.211 -2.146 1.00 34.39 N ATOM 1163 CA ASN B 37 11.477 43.286 -1.754 1.00 29.77 C ATOM 1164 C ASN B 37 12.565 44.002 -0.964 1.00 34.70 C ATOM 1165 O ASN B 37 12.935 45.138 -1.274 1.00 38.33 O ATOM 1166 CB ASN B 37 12.072 42.613 -2.987 1.00 33.69 C ATOM 1167 CG ASN B 37 12.940 41.427 -2.640 1.00 33.01 C ATOM 1168 OD1 ASN B 37 12.476 40.467 -2.028 1.00 32.77 O ATOM 1169 ND2 ASN B 37 14.200 41.472 -3.055 1.00 34.68 N ATOM 1170 HD22 ASN B 37 14.549 42.306 -3.570 1.00 0.00 H ATOM 1171 HD21 ASN B 37 14.839 40.673 -2.866 1.00 0.00 H ATOM 1172 H ASN B 37 10.455 44.646 -3.090 1.00 0.00 H ATOM 1173 N VAL B 38 13.069 43.336 0.069 1.00 33.10 N ATOM 1174 CA VAL B 38 14.202 43.820 0.847 1.00 30.07 C ATOM 1175 C VAL B 38 15.429 43.037 0.407 1.00 26.75 C ATOM 1176 O VAL B 38 15.448 41.804 0.488 1.00 28.84 O ATOM 1177 CB VAL B 38 13.954 43.671 2.356 1.00 24.87 C ATOM 1178 CG1 VAL B 38 15.142 44.198 3.147 1.00 23.48 C ATOM 1179 CG2 VAL B 38 12.677 44.395 2.750 1.00 26.55 C ATOM 1180 H VAL B 38 12.636 42.429 0.334 1.00 0.00 H ATOM 1181 N GLU B 39 16.455 43.751 -0.054 1.00 25.33 N ATOM 1182 CA GLU B 39 17.625 43.115 -0.644 1.00 28.53 C ATOM 1183 C GLU B 39 18.653 42.696 0.394 1.00 30.83 C ATOM 1184 O GLU B 39 19.205 41.594 0.308 1.00 37.34 O ATOM 1185 CB GLU B 39 18.279 44.062 -1.650 1.00 33.28 C ATOM 1186 CG GLU B 39 17.354 44.528 -2.759 1.00 39.37 C ATOM 1187 CD GLU B 39 16.789 43.379 -3.563 1.00 42.86 C ATOM 1188 OE1 GLU B 39 17.498 42.358 -3.715 1.00 40.47 O ATOM 1189 OE2 GLU B 39 15.645 43.506 -4.055 1.00 45.09 O ATOM 1190 H GLU B 39 16.420 44.788 0.009 1.00 0.00 H ATOM 1191 N GLY B 40 18.917 43.548 1.372 1.00 26.22 N ATOM 1192 CA GLY B 40 19.874 43.229 2.413 1.00 22.99 C ATOM 1193 C GLY B 40 19.377 43.721 3.753 1.00 23.25 C ATOM 1194 O GLY B 40 18.684 44.735 3.849 1.00 24.45 O ATOM 1195 H GLY B 40 18.428 44.465 1.394 1.00 0.00 H ATOM 1196 N ILE B 41 19.738 42.981 4.794 1.00 25.67 N ATOM 1197 CA ILE B 41 19.348 43.301 6.161 1.00 23.04 C ATOM 1198 C ILE B 41 20.536 43.047 7.073 1.00 23.04 C ATOM 1199 O ILE B 41 21.248 42.050 6.921 1.00 25.85 O ATOM 1200 CB ILE B 41 18.128 42.473 6.626 1.00 23.49 C ATOM 1201 CG1 ILE B 41 16.901 42.790 5.770 1.00 28.20 C ATOM 1202 CG2 ILE B 41 17.838 42.732 8.097 1.00 15.05 C ATOM 1203 CD1 ILE B 41 15.700 41.933 6.098 1.00 31.29 C ATOM 1204 H ILE B 41 20.323 42.138 4.627 1.00 0.00 H ATOM 1205 N LEU B 42 20.762 43.961 8.008 1.00 22.85 N ATOM 1206 CA LEU B 42 21.662 43.729 9.128 1.00 21.09 C ATOM 1207 C LEU B 42 20.971 44.217 10.391 1.00 19.08 C ATOM 1208 O LEU B 42 20.477 45.347 10.432 1.00 21.75 O ATOM 1209 CB LEU B 42 23.007 44.436 8.941 1.00 21.38 C ATOM 1210 CG LEU B 42 23.992 44.307 10.110 1.00 19.14 C ATOM 1211 CD1 LEU B 42 24.417 42.860 10.322 1.00 19.54 C ATOM 1212 CD2 LEU B 42 25.196 45.193 9.892 1.00 23.67 C ATOM 1213 H LEU B 42 20.277 44.878 7.938 1.00 0.00 H ATOM 1214 N CYS B 43 20.921 43.361 11.406 1.00 18.35 N ATOM 1215 CA CYS B 43 20.370 43.711 12.709 1.00 16.58 C ATOM 1216 C CYS B 43 21.381 43.320 13.773 1.00 17.97 C ATOM 1217 O CYS B 43 21.768 42.152 13.860 1.00 22.57 O ATOM 1218 CB CYS B 43 19.029 43.012 12.945 1.00 17.53 C ATOM 1219 SG CYS B 43 18.293 43.365 14.537 1.00 22.72 S ATOM 1220 H CYS B 43 21.291 42.399 11.264 1.00 0.00 H ATOM 1221 N LEU B 44 21.818 44.296 14.567 1.00 22.67 N ATOM 1222 CA LEU B 44 22.793 44.076 15.624 1.00 23.53 C ATOM 1223 C LEU B 44 22.260 44.673 16.917 1.00 26.68 C ATOM 1224 O LEU B 44 21.733 45.799 16.912 1.00 27.23 O ATOM 1225 CB LEU B 44 24.161 44.700 15.286 1.00 24.94 C ATOM 1226 CG LEU B 44 24.970 44.227 14.077 1.00 21.02 C ATOM 1227 CD1 LEU B 44 26.133 45.176 13.862 1.00 25.09 C ATOM 1228 CD2 LEU B 44 25.466 42.795 14.231 1.00 19.91 C ATOM 1229 H LEU B 44 21.446 45.257 14.425 1.00 0.00 H ATOM 1230 N PRO B 45 22.352 43.963 18.036 1.00 30.56 N ATOM 1231 CA PRO B 45 21.975 44.562 19.320 1.00 32.48 C ATOM 1232 C PRO B 45 22.962 45.634 19.758 1.00 31.17 C ATOM 1233 O PRO B 45 24.148 45.603 19.422 1.00 33.01 O ATOM 1234 CB PRO B 45 21.978 43.372 20.286 1.00 36.36 C ATOM 1235 CG PRO B 45 22.908 42.385 19.659 1.00 36.71 C ATOM 1236 CD PRO B 45 22.809 42.569 18.172 1.00 31.46 C ATOM 1237 N ILE B 46 22.446 46.602 20.506 1.00 30.94 N ATOM 1238 CA ILE B 46 23.247 47.684 21.070 1.00 33.72 C ATOM 1239 C ILE B 46 23.655 47.290 22.488 1.00 33.86 C ATOM 1240 O ILE B 46 22.793 47.011 23.328 1.00 35.96 O ATOM 1241 CB ILE B 46 22.466 49.008 21.064 1.00 31.38 C ATOM 1242 CG1 ILE B 46 22.126 49.427 19.633 1.00 31.39 C ATOM 1243 CG2 ILE B 46 23.272 50.099 21.719 1.00 31.35 C ATOM 1244 CD1 ILE B 46 21.105 50.539 19.548 1.00 29.91 C ATOM 1245 H ILE B 46 21.424 46.589 20.699 1.00 0.00 H ATOM 1246 N GLN B 47 24.963 47.232 22.751 1.00 39.52 N ATOM 1247 CA GLN B 47 25.440 46.792 24.060 1.00 43.55 C ATOM 1248 C GLN B 47 24.908 47.695 25.166 1.00 42.52 C ATOM 1249 O GLN B 47 24.850 48.917 25.015 1.00 41.00 O ATOM 1250 CB GLN B 47 26.968 46.796 24.124 1.00 54.56 C ATOM 1251 CG GLN B 47 27.689 46.362 22.870 1.00 62.16 C ATOM 1252 CD GLN B 47 29.120 45.937 23.154 1.00 73.25 C ATOM 1253 OE1 GLN B 47 29.712 46.329 24.165 1.00 77.14 O ATOM 1254 NE2 GLN B 47 29.673 45.107 22.276 1.00 75.08 N ATOM 1255 HE22 GLN B 47 29.137 44.803 21.438 1.00 0.00 H ATOM 1256 HE21 GLN B 47 30.642 44.761 22.426 1.00 0.00 H ATOM 1257 H GLN B 47 25.648 47.503 22.017 1.00 0.00 H ATOM 1258 N ASP B 48 24.555 47.088 26.301 1.00 40.27 N ATOM 1259 CA ASP B 48 24.073 47.817 27.476 1.00 47.32 C ATOM 1260 C ASP B 48 22.762 48.550 27.198 1.00 44.23 C ATOM 1261 O ASP B 48 22.548 49.673 27.657 1.00 49.41 O ATOM 1262 CB ASP B 48 25.129 48.796 27.996 1.00 56.22 C ATOM 1263 CG ASP B 48 26.170 48.123 28.866 1.00 66.55 C ATOM 1264 OD1 ASP B 48 26.269 46.880 28.819 1.00 69.65 O ATOM 1265 OD2 ASP B 48 26.888 48.837 29.598 1.00 72.83 O ATOM 1266 H ASP B 48 24.625 46.052 26.353 1.00 0.00 H ATOM 1267 N SER B 49 21.865 47.904 26.461 1.00 43.25 N ATOM 1268 CA SER B 49 20.560 48.490 26.189 1.00 41.75 C ATOM 1269 C SER B 49 19.597 47.373 25.818 1.00 39.92 C ATOM 1270 O SER B 49 19.986 46.211 25.677 1.00 39.77 O ATOM 1271 CB SER B 49 20.627 49.550 25.082 1.00 36.15 C ATOM 1272 OG SER B 49 20.676 48.963 23.798 1.00 37.73 O ATOM 1273 HG SER B 49 21.480 48.389 23.729 1.00 0.00 H ATOM 1274 H SER B 49 22.098 46.968 26.073 1.00 0.00 H ATOM 1275 N ASP B 50 18.323 47.740 25.688 1.00 42.81 N ATOM 1276 CA ASP B 50 17.278 46.832 25.237 1.00 38.99 C ATOM 1277 C ASP B 50 16.877 47.088 23.791 1.00 32.33 C ATOM 1278 O ASP B 50 15.778 46.703 23.381 1.00 35.04 O ATOM 1279 CB ASP B 50 16.057 46.940 26.153 1.00 42.85 C ATOM 1280 CG ASP B 50 15.429 48.322 26.136 1.00 44.11 C ATOM 1281 OD1 ASP B 50 16.121 49.293 25.769 1.00 42.54 O ATOM 1282 OD2 ASP B 50 14.237 48.437 26.489 1.00 46.44 O ATOM 1283 H ASP B 50 18.063 48.720 25.919 1.00 0.00 H ATOM 1284 N LYS B 51 17.744 47.724 23.013 1.00 30.62 N ATOM 1285 CA LYS B 51 17.445 48.103 21.643 1.00 32.96 C ATOM 1286 C LYS B 51 18.463 47.494 20.687 1.00 27.88 C ATOM 1287 O LYS B 51 19.528 47.015 21.090 1.00 26.16 O ATOM 1288 CB LYS B 51 17.415 49.629 21.504 1.00 33.82 C ATOM 1289 CG LYS B 51 16.480 50.290 22.491 1.00 34.85 C ATOM 1290 CD LYS B 51 16.586 51.796 22.443 1.00 40.00 C ATOM 1291 CE LYS B 51 15.778 52.428 23.567 1.00 47.77 C ATOM 1292 NZ LYS B 51 16.238 51.991 24.915 1.00 50.22 N ATOM 1293 HZ1 LYS B 51 16.145 50.958 24.994 1.00 0.00 H ATOM 1294 HZ2 LYS B 51 17.234 52.261 25.044 1.00 0.00 H ATOM 1295 HZ3 LYS B 51 15.656 52.450 25.644 1.00 0.00 H ATOM 1296 H LYS B 51 18.679 47.962 23.402 1.00 0.00 H ATOM 1297 N SER B 52 18.118 47.532 19.400 1.00 27.36 N ATOM 1298 CA SER B 52 18.961 47.014 18.335 1.00 24.54 C ATOM 1299 C SER B 52 18.959 47.992 17.172 1.00 25.32 C ATOM 1300 O SER B 52 18.055 48.818 17.031 1.00 29.92 O ATOM 1301 CB SER B 52 18.483 45.642 17.846 1.00 19.17 C ATOM 1302 OG SER B 52 18.534 44.675 18.873 1.00 23.85 O ATOM 1303 HG SER B 52 18.219 43.805 18.521 1.00 0.00 H ATOM 1304 H SER B 52 17.201 47.953 19.146 1.00 0.00 H ATOM 1305 N HIS B 53 19.999 47.892 16.348 1.00 27.29 N ATOM 1306 CA HIS B 53 20.124 48.646 15.108 1.00 27.40 C ATOM 1307 C HIS B 53 19.747 47.757 13.931 1.00 24.74 C ATOM 1308 O HIS B 53 20.117 46.581 13.888 1.00 24.52 O ATOM 1309 CB HIS B 53 21.553 49.163 14.919 1.00 28.15 C ATOM 1310 CG HIS B 53 21.868 50.395 15.709 1.00 28.06 C ATOM 1311 ND1 HIS B 53 23.109 50.625 16.264 1.00 28.81 N ATOM 1312 CD2 HIS B 53 21.111 51.474 16.021 1.00 28.37 C ATOM 1313 CE1 HIS B 53 23.099 51.787 16.892 1.00 31.17 C ATOM 1314 NE2 HIS B 53 21.899 52.322 16.759 1.00 30.75 N ATOM 1315 H HIS B 53 20.766 47.238 16.604 1.00 0.00 H ATOM 1316 N ILE B 54 19.014 48.322 12.974 1.00 27.15 N ATOM 1317 CA ILE B 54 18.624 47.605 11.766 1.00 24.36 C ATOM 1318 C ILE B 54 19.031 48.434 10.553 1.00 29.98 C ATOM 1319 O ILE B 54 18.750 49.637 10.495 1.00 34.26 O ATOM 1320 CB ILE B 54 17.111 47.325 11.736 1.00 20.01 C ATOM 1321 CG1 ILE B 54 16.714 46.407 12.883 1.00 24.09 C ATOM 1322 CG2 ILE B 54 16.722 46.691 10.414 1.00 18.91 C ATOM 1323 CD1 ILE B 54 15.219 46.195 12.989 1.00 27.40 C ATOM 1324 H ILE B 54 18.709 49.309 13.092 1.00 0.00 H ATOM 1325 N TRP B 55 19.692 47.795 9.594 1.00 24.24 N ATOM 1326 CA TRP B 55 19.967 48.385 8.291 1.00 25.27 C ATOM 1327 C TRP B 55 19.163 47.644 7.232 1.00 21.39 C ATOM 1328 O TRP B 55 19.249 46.419 7.133 1.00 21.83 O ATOM 1329 CB TRP B 55 21.457 48.317 7.950 1.00 29.55 C ATOM 1330 CG TRP B 55 22.382 49.171 8.793 1.00 26.90 C ATOM 1331 CD1 TRP B 55 22.881 50.399 8.467 1.00 24.28 C ATOM 1332 CD2 TRP B 55 22.948 48.839 10.070 1.00 26.29 C ATOM 1333 NE1 TRP B 55 23.709 50.855 9.461 1.00 27.30 N ATOM 1334 CE2 TRP B 55 23.768 49.916 10.456 1.00 25.63 C ATOM 1335 CE3 TRP B 55 22.836 47.739 10.925 1.00 25.04 C ATOM 1336 CZ2 TRP B 55 24.468 49.926 11.658 1.00 27.45 C ATOM 1337 CZ3 TRP B 55 23.533 47.750 12.117 1.00 22.63 C ATOM 1338 CH2 TRP B 55 24.337 48.836 12.473 1.00 26.67 C ATOM 1339 HE1 TRP B 55 24.211 51.766 9.459 1.00 0.00 H ATOM 1340 H TRP B 55 20.029 46.829 9.782 1.00 0.00 H ATOM 1341 N LEU B 56 18.383 48.379 6.446 1.00 24.35 N ATOM 1342 CA LEU B 56 17.592 47.798 5.368 1.00 22.09 C ATOM 1343 C LEU B 56 18.078 48.356 4.040 1.00 24.23 C ATOM 1344 O LEU B 56 18.041 49.571 3.825 1.00 28.85 O ATOM 1345 CB LEU B 56 16.107 48.099 5.552 1.00 23.35 C ATOM 1346 CG LEU B 56 15.445 47.567 6.816 1.00 22.05 C ATOM 1347 CD1 LEU B 56 13.996 47.979 6.831 1.00 30.29 C ATOM 1348 CD2 LEU B 56 15.564 46.061 6.875 1.00 19.91 C ATOM 1349 H LEU B 56 18.335 49.406 6.606 1.00 0.00 H ATOM 1350 N LEU B 57 18.509 47.469 3.147 1.00 27.92 N ATOM 1351 CA LEU B 57 18.906 47.833 1.791 1.00 26.48 C ATOM 1352 C LEU B 57 17.726 47.545 0.866 1.00 29.12 C ATOM 1353 O LEU B 57 17.332 46.388 0.694 1.00 29.05 O ATOM 1354 CB LEU B 57 20.151 47.056 1.371 1.00 30.17 C ATOM 1355 CG LEU B 57 20.659 47.253 -0.058 1.00 31.34 C ATOM 1356 CD1 LEU B 57 21.291 48.625 -0.201 1.00 32.63 C ATOM 1357 CD2 LEU B 57 21.646 46.162 -0.438 1.00 30.60 C ATOM 1358 H LEU B 57 18.566 46.469 3.429 1.00 0.00 H ATOM 1359 N VAL B 58 17.160 48.598 0.272 1.00 32.57 N ATOM 1360 CA VAL B 58 15.961 48.474 -0.548 1.00 34.78 C ATOM 1361 C VAL B 58 16.100 49.331 -1.800 1.00 38.09 C ATOM 1362 O VAL B 58 16.855 50.304 -1.835 1.00 41.75 O ATOM 1363 CB VAL B 58 14.687 48.875 0.236 1.00 32.79 C ATOM 1364 CG1 VAL B 58 14.484 47.959 1.433 1.00 29.32 C ATOM 1365 CG2 VAL B 58 14.776 50.320 0.696 1.00 30.34 C ATOM 1366 H VAL B 58 17.588 49.537 0.398 1.00 0.00 H ATOM 1367 N ASN B 59 15.349 48.960 -2.835 1.00 39.00 N ATOM 1368 CA ASN B 59 15.329 49.745 -4.062 1.00 44.25 C ATOM 1369 C ASN B 59 14.649 51.082 -3.807 1.00 44.02 C ATOM 1370 O ASN B 59 13.582 51.138 -3.189 1.00 46.43 O ATOM 1371 CB ASN B 59 14.608 48.986 -5.176 1.00 50.30 C ATOM 1372 CG ASN B 59 15.345 47.731 -5.599 1.00 53.48 C ATOM 1373 H ASN B 59 14.770 48.099 -2.767 1.00 0.00 H ATOM 1374 N ASP B 60 15.275 52.161 -4.267 1.00 45.77 N ATOM 1375 CA ASP B 60 14.707 53.494 -4.097 1.00 48.69 C ATOM 1376 C ASP B 60 13.402 53.607 -4.878 1.00 53.52 C ATOM 1377 O ASP B 60 13.369 53.369 -6.089 1.00 61.04 O ATOM 1378 CB ASP B 60 15.709 54.555 -4.541 1.00 50.64 C ATOM 1379 CG ASP B 60 15.364 55.934 -4.015 1.00 54.63 C ATOM 1380 OD1 ASP B 60 14.478 56.029 -3.142 1.00 55.01 O ATOM 1381 OD2 ASP B 60 15.991 56.919 -4.457 1.00 59.17 O ATOM 1382 H ASP B 60 16.186 52.053 -4.757 1.00 0.00 H ATOM 1383 N ASP B 61 12.327 53.966 -4.183 1.00 52.17 N ATOM 1384 CA ASP B 61 10.983 53.887 -4.731 1.00 58.32 C ATOM 1385 C ASP B 61 10.173 55.089 -4.275 1.00 60.44 C ATOM 1386 O ASP B 61 10.333 55.564 -3.148 1.00 60.45 O ATOM 1387 CB ASP B 61 10.290 52.590 -4.293 1.00 62.71 C ATOM 1388 CG ASP B 61 8.950 52.379 -4.972 1.00 72.47 C ATOM 1389 OD1 ASP B 61 8.139 53.330 -5.012 1.00 77.82 O ATOM 1390 OD2 ASP B 61 8.702 51.256 -5.460 1.00 74.37 O ATOM 1391 H ASP B 61 12.452 54.316 -3.212 1.00 0.00 H ATOM 1392 N GLN B 62 9.299 55.572 -5.161 1.00 61.81 N ATOM 1393 CA GLN B 62 8.421 56.679 -4.801 1.00 62.99 C ATOM 1394 C GLN B 62 7.615 56.361 -3.549 1.00 59.21 C ATOM 1395 O GLN B 62 7.271 57.269 -2.784 1.00 60.02 O ATOM 1396 CB GLN B 62 7.491 57.013 -5.972 1.00 67.18 C ATOM 1397 CG GLN B 62 8.204 57.090 -7.319 1.00 73.22 C ATOM 1398 CD GLN B 62 7.722 58.243 -8.190 1.00 77.64 C ATOM 1399 OE1 GLN B 62 6.613 58.746 -8.019 1.00 81.71 O ATOM 1400 NE2 GLN B 62 8.565 58.670 -9.126 1.00 77.18 N ATOM 1401 HE22 GLN B 62 9.494 58.215 -9.236 1.00 0.00 H ATOM 1402 HE21 GLN B 62 8.295 59.459 -9.748 1.00 0.00 H ATOM 1403 H GLN B 62 9.244 55.157 -6.113 1.00 0.00 H ATOM 1404 N ARG B 63 7.317 55.083 -3.315 1.00 54.41 N ATOM 1405 CA ARG B 63 6.554 54.677 -2.143 1.00 52.96 C ATOM 1406 C ARG B 63 7.374 54.693 -0.861 1.00 50.44 C ATOM 1407 O ARG B 63 6.805 54.505 0.220 1.00 47.17 O ATOM 1408 CB ARG B 63 5.986 53.269 -2.330 1.00 53.13 C ATOM 1409 CG ARG B 63 4.992 53.106 -3.464 1.00 58.91 C ATOM 1410 CD ARG B 63 4.712 51.625 -3.689 1.00 58.62 C ATOM 1411 NE ARG B 63 5.918 50.877 -4.039 1.00 55.62 N ATOM 1412 CZ ARG B 63 5.977 49.552 -4.120 1.00 51.89 C ATOM 1413 NH1 ARG B 63 4.903 48.821 -3.865 1.00 50.47 N ATOM 1414 NH2 ARG B 63 7.112 48.953 -4.451 1.00 52.11 N ATOM 1415 HE ARG B 63 6.785 51.416 -4.237 1.00 0.00 H ATOM 1416 HH12 ARG B 63 4.952 47.784 -3.929 1.00 0.00 H ATOM 1417 HH11 ARG B 63 4.010 49.284 -3.600 1.00 0.00 H ATOM 1418 HH22 ARG B 63 7.154 47.916 -4.513 1.00 0.00 H ATOM 1419 HH21 ARG B 63 7.961 49.520 -4.649 1.00 0.00 H ATOM 1420 H ARG B 63 7.638 54.357 -3.987 1.00 0.00 H ATOM 1421 N LEU B 64 8.687 54.904 -0.953 1.00 50.38 N ATOM 1422 CA LEU B 64 9.548 54.726 0.211 1.00 48.40 C ATOM 1423 C LEU B 64 9.213 55.718 1.320 1.00 52.03 C ATOM 1424 O LEU B 64 9.168 55.348 2.499 1.00 50.54 O ATOM 1425 CB LEU B 64 11.012 54.858 -0.201 1.00 46.97 C ATOM 1426 CG LEU B 64 12.013 54.249 0.779 1.00 45.76 C ATOM 1427 CD1 LEU B 64 11.707 52.773 0.992 1.00 44.64 C ATOM 1428 CD2 LEU B 64 13.432 54.447 0.285 1.00 46.23 C ATOM 1429 H LEU B 64 9.100 55.198 -1.861 1.00 0.00 H ATOM 1430 N GLU B 65 8.977 56.985 0.968 1.00 56.93 N ATOM 1431 CA GLU B 65 8.783 58.004 1.995 1.00 57.87 C ATOM 1432 C GLU B 65 7.510 57.759 2.795 1.00 51.37 C ATOM 1433 O GLU B 65 7.504 57.916 4.021 1.00 48.49 O ATOM 1434 CB GLU B 65 8.768 59.396 1.365 1.00 70.69 C ATOM 1435 CG GLU B 65 9.677 60.394 2.072 1.00 78.54 C ATOM 1436 CD GLU B 65 11.115 59.901 2.179 1.00 82.34 C ATOM 1437 OE1 GLU B 65 11.470 58.931 1.473 1.00 82.31 O ATOM 1438 OE2 GLU B 65 11.890 60.480 2.971 1.00 83.07 O ATOM 1439 H GLU B 65 8.932 57.245 -0.038 1.00 0.00 H ATOM 1440 N GLN B 66 6.419 57.379 2.124 1.00 51.25 N ATOM 1441 CA GLN B 66 5.212 57.008 2.854 1.00 54.28 C ATOM 1442 C GLN B 66 5.430 55.759 3.698 1.00 52.98 C ATOM 1443 O GLN B 66 4.754 55.569 4.715 1.00 52.84 O ATOM 1444 CB GLN B 66 4.051 56.795 1.886 1.00 61.76 C ATOM 1445 CG GLN B 66 2.861 56.085 2.512 1.00 68.03 C ATOM 1446 CD GLN B 66 2.374 56.767 3.782 1.00 75.89 C ATOM 1447 OE1 GLN B 66 2.710 57.921 4.050 1.00 80.68 O ATOM 1448 NE2 GLN B 66 1.583 56.048 4.574 1.00 74.96 N ATOM 1449 HE22 GLN B 66 1.325 55.076 4.308 1.00 0.00 H ATOM 1450 HE21 GLN B 66 1.223 56.458 5.460 1.00 0.00 H ATOM 1451 H GLN B 66 6.430 57.348 1.085 1.00 0.00 H ATOM 1452 N MET B 67 6.361 54.893 3.295 1.00 53.57 N ATOM 1453 CA MET B 67 6.652 53.710 4.094 1.00 48.85 C ATOM 1454 C MET B 67 7.464 54.061 5.332 1.00 42.23 C ATOM 1455 O MET B 67 7.175 53.562 6.424 1.00 41.62 O ATOM 1456 CB MET B 67 7.376 52.661 3.248 1.00 51.58 C ATOM 1457 CG MET B 67 6.489 52.025 2.186 1.00 56.20 C ATOM 1458 SD MET B 67 7.367 50.935 1.053 1.00 55.84 S ATOM 1459 CE MET B 67 7.692 49.539 2.126 1.00 50.03 C ATOM 1460 H MET B 67 6.880 55.062 2.410 1.00 0.00 H ATOM 1461 N ILE B 68 8.477 54.918 5.188 1.00 40.85 N ATOM 1462 CA ILE B 68 9.200 55.405 6.359 1.00 39.81 C ATOM 1463 C ILE B 68 8.222 55.978 7.374 1.00 41.92 C ATOM 1464 O ILE B 68 8.407 55.838 8.589 1.00 43.37 O ATOM 1465 CB ILE B 68 10.269 56.436 5.945 1.00 43.04 C ATOM 1466 CG1 ILE B 68 11.327 55.781 5.052 1.00 40.89 C ATOM 1467 CG2 ILE B 68 10.910 57.065 7.170 1.00 43.03 C ATOM 1468 CD1 ILE B 68 12.214 56.764 4.328 1.00 42.00 C ATOM 1469 H ILE B 68 8.752 55.240 4.238 1.00 0.00 H ATOM 1470 N SER B 69 7.170 56.641 6.892 1.00 42.80 N ATOM 1471 CA SER B 69 6.131 57.127 7.792 1.00 44.26 C ATOM 1472 C SER B 69 5.462 55.973 8.530 1.00 44.73 C ATOM 1473 O SER B 69 5.247 56.043 9.745 1.00 45.33 O ATOM 1474 CB SER B 69 5.101 57.941 7.009 1.00 47.79 C ATOM 1475 OG SER B 69 4.017 58.328 7.835 1.00 52.25 O ATOM 1476 HG SER B 69 3.368 58.852 7.302 1.00 0.00 H ATOM 1477 H SER B 69 7.090 56.812 5.869 1.00 0.00 H ATOM 1478 N GLN B 70 5.135 54.895 7.812 1.00 45.69 N ATOM 1479 CA GLN B 70 4.469 53.760 8.442 1.00 45.79 C ATOM 1480 C GLN B 70 5.383 53.035 9.421 1.00 41.86 C ATOM 1481 O GLN B 70 4.912 52.520 10.439 1.00 43.44 O ATOM 1482 CB GLN B 70 3.958 52.789 7.375 1.00 47.96 C ATOM 1483 CG GLN B 70 2.683 53.242 6.689 1.00 54.75 C ATOM 1484 CD GLN B 70 1.543 53.436 7.670 1.00 64.14 C ATOM 1485 OE1 GLN B 70 0.964 54.518 7.760 1.00 70.32 O ATOM 1486 NE2 GLN B 70 1.216 52.385 8.414 1.00 65.12 N ATOM 1487 HE22 GLN B 70 1.733 51.489 8.304 1.00 0.00 H ATOM 1488 HE21 GLN B 70 0.443 52.458 9.106 1.00 0.00 H ATOM 1489 H GLN B 70 5.357 54.865 6.796 1.00 0.00 H ATOM 1490 N ILE B 71 6.683 52.974 9.126 1.00 37.62 N ATOM 1491 CA ILE B 71 7.628 52.321 10.027 1.00 28.46 C ATOM 1492 C ILE B 71 7.752 53.100 11.328 1.00 29.04 C ATOM 1493 O ILE B 71 7.772 52.517 12.419 1.00 31.78 O ATOM 1494 CB ILE B 71 8.994 52.170 9.335 1.00 31.23 C ATOM 1495 CG1 ILE B 71 8.889 51.220 8.142 1.00 33.87 C ATOM 1496 CG2 ILE B 71 10.047 51.700 10.325 1.00 29.35 C ATOM 1497 CD1 ILE B 71 10.096 51.242 7.240 1.00 33.59 C ATOM 1498 H ILE B 71 7.028 53.398 8.241 1.00 0.00 H ATOM 1499 N ASP B 72 7.859 54.427 11.233 1.00 28.85 N ATOM 1500 CA ASP B 72 8.009 55.260 12.420 1.00 32.05 C ATOM 1501 C ASP B 72 6.802 55.138 13.344 1.00 38.12 C ATOM 1502 O ASP B 72 6.932 55.279 14.567 1.00 39.47 O ATOM 1503 CB ASP B 72 8.233 56.711 11.990 1.00 33.64 C ATOM 1504 CG ASP B 72 8.473 57.642 13.159 1.00 41.10 C ATOM 1505 OD1 ASP B 72 9.529 57.512 13.814 1.00 43.06 O ATOM 1506 OD2 ASP B 72 7.607 58.508 13.414 1.00 47.99 O ATOM 1507 H ASP B 72 7.835 54.875 10.295 1.00 0.00 H ATOM 1508 N LYS B 73 5.625 54.858 12.784 1.00 34.99 N ATOM 1509 CA LYS B 73 4.413 54.713 13.580 1.00 36.90 C ATOM 1510 C LYS B 73 4.413 53.448 14.431 1.00 38.12 C ATOM 1511 O LYS B 73 3.618 53.354 15.372 1.00 41.36 O ATOM 1512 CB LYS B 73 3.187 54.714 12.665 1.00 37.73 C ATOM 1513 CG LYS B 73 2.892 56.054 12.011 1.00 40.35 C ATOM 1514 CD LYS B 73 2.095 55.872 10.728 1.00 42.15 C ATOM 1515 CE LYS B 73 0.974 54.858 10.902 1.00 41.75 C ATOM 1516 NZ LYS B 73 -0.007 55.274 11.941 1.00 44.84 N ATOM 1517 HZ1 LYS B 73 0.480 55.377 12.854 1.00 0.00 H ATOM 1518 HZ2 LYS B 73 -0.433 56.183 11.670 1.00 0.00 H ATOM 1519 HZ3 LYS B 73 -0.751 54.552 12.023 1.00 0.00 H ATOM 1520 H LYS B 73 5.570 54.740 11.752 1.00 0.00 H ATOM 1521 N LEU B 74 5.271 52.475 14.122 1.00 35.19 N ATOM 1522 CA LEU B 74 5.311 51.236 14.891 1.00 35.33 C ATOM 1523 C LEU B 74 5.845 51.508 16.293 1.00 35.46 C ATOM 1524 O LEU B 74 6.879 52.162 16.458 1.00 36.39 O ATOM 1525 CB LEU B 74 6.179 50.193 14.184 1.00 35.56 C ATOM 1526 CG LEU B 74 5.761 49.708 12.790 1.00 32.26 C ATOM 1527 CD1 LEU B 74 6.843 48.824 12.168 1.00 28.13 C ATOM 1528 CD2 LEU B 74 4.420 48.982 12.835 1.00 29.10 C ATOM 1529 H LEU B 74 5.922 52.601 13.321 1.00 0.00 H ATOM 1530 N GLU B 75 5.141 50.998 17.307 1.00 35.41 N ATOM 1531 CA GLU B 75 5.476 51.348 18.684 1.00 36.05 C ATOM 1532 C GLU B 75 6.921 50.999 19.017 1.00 35.67 C ATOM 1533 O GLU B 75 7.583 51.721 19.771 1.00 36.99 O ATOM 1534 CB GLU B 75 4.523 50.650 19.654 1.00 34.77 C ATOM 1535 CG GLU B 75 3.102 51.187 19.631 1.00 36.67 C ATOM 1536 CD GLU B 75 3.044 52.693 19.788 1.00 41.86 C ATOM 1537 OE1 GLU B 75 2.699 53.379 18.806 1.00 43.78 O ATOM 1538 OE2 GLU B 75 3.347 53.195 20.890 1.00 46.70 O ATOM 1539 H GLU B 75 4.351 50.349 17.115 1.00 0.00 H ATOM 1540 N ASP B 76 7.428 49.906 18.460 1.00 29.73 N ATOM 1541 CA ASP B 76 8.750 49.398 18.799 1.00 33.70 C ATOM 1542 C ASP B 76 9.864 50.031 17.974 1.00 31.80 C ATOM 1543 O ASP B 76 11.035 49.685 18.168 1.00 30.82 O ATOM 1544 CB ASP B 76 8.774 47.873 18.642 1.00 42.23 C ATOM 1545 CG ASP B 76 7.907 47.166 19.675 1.00 49.50 C ATOM 1546 OD1 ASP B 76 8.043 47.479 20.877 1.00 50.81 O ATOM 1547 OD2 ASP B 76 7.082 46.308 19.288 1.00 52.51 O ATOM 1548 H ASP B 76 6.860 49.393 17.755 1.00 0.00 H ATOM 1549 N VAL B 77 9.535 50.943 17.066 1.00 30.65 N ATOM 1550 CA VAL B 77 10.524 51.658 16.270 1.00 29.10 C ATOM 1551 C VAL B 77 10.794 52.998 16.942 1.00 32.47 C ATOM 1552 O VAL B 77 9.897 53.846 17.042 1.00 34.54 O ATOM 1553 CB VAL B 77 10.051 51.842 14.819 1.00 28.75 C ATOM 1554 CG1 VAL B 77 10.997 52.760 14.059 1.00 33.65 C ATOM 1555 CG2 VAL B 77 9.936 50.495 14.131 1.00 22.76 C ATOM 1556 H VAL B 77 8.528 51.156 16.917 1.00 0.00 H ATOM 1557 N VAL B 78 12.030 53.181 17.412 1.00 33.11 N ATOM 1558 CA VAL B 78 12.415 54.414 18.087 1.00 32.52 C ATOM 1559 C VAL B 78 12.787 55.491 17.084 1.00 32.92 C ATOM 1560 O VAL B 78 12.547 56.678 17.328 1.00 39.54 O ATOM 1561 CB VAL B 78 13.578 54.152 19.057 1.00 37.89 C ATOM 1562 CG1 VAL B 78 14.078 55.456 19.640 1.00 46.21 C ATOM 1563 CG2 VAL B 78 13.148 53.207 20.159 1.00 42.27 C ATOM 1564 H VAL B 78 12.735 52.426 17.294 1.00 0.00 H ATOM 1565 N LYS B 79 13.372 55.107 15.953 1.00 36.24 N ATOM 1566 CA LYS B 79 13.849 56.066 14.967 1.00 42.13 C ATOM 1567 C LYS B 79 14.036 55.348 13.638 1.00 38.13 C ATOM 1568 O LYS B 79 14.423 54.179 13.606 1.00 36.51 O ATOM 1569 CB LYS B 79 15.163 56.712 15.419 1.00 49.45 C ATOM 1570 CG LYS B 79 15.616 57.875 14.565 1.00 57.29 C ATOM 1571 CD LYS B 79 17.132 57.913 14.468 1.00 63.76 C ATOM 1572 CE LYS B 79 17.784 57.783 15.837 1.00 68.43 C ATOM 1573 NZ LYS B 79 19.275 57.754 15.749 1.00 68.32 N ATOM 1574 HZ1 LYS B 79 19.571 56.942 15.170 1.00 0.00 H ATOM 1575 HZ2 LYS B 79 19.612 58.635 15.311 1.00 0.00 H ATOM 1576 HZ3 LYS B 79 19.676 57.665 16.705 1.00 0.00 H ATOM 1577 H LYS B 79 13.492 54.091 15.767 1.00 0.00 H ATOM 1578 N VAL B 80 13.754 56.058 12.544 1.00 39.78 N ATOM 1579 CA VAL B 80 13.925 55.507 11.202 1.00 39.67 C ATOM 1580 C VAL B 80 14.354 56.616 10.251 1.00 39.13 C ATOM 1581 O VAL B 80 13.664 57.630 10.117 1.00 42.46 O ATOM 1582 CB VAL B 80 12.640 54.817 10.705 1.00 40.53 C ATOM 1583 CG1 VAL B 80 11.433 55.714 10.911 1.00 46.83 C ATOM 1584 CG2 VAL B 80 12.780 54.439 9.234 1.00 37.92 C ATOM 1585 H VAL B 80 13.403 57.031 12.650 1.00 0.00 H ATOM 1586 N GLN B 81 15.488 56.424 9.576 1.00 44.41 N ATOM 1587 CA GLN B 81 16.102 57.447 8.735 1.00 51.17 C ATOM 1588 C GLN B 81 16.666 56.801 7.473 1.00 47.97 C ATOM 1589 O GLN B 81 16.637 55.579 7.304 1.00 46.37 O ATOM 1590 CB GLN B 81 17.206 58.186 9.498 1.00 60.19 C ATOM 1591 CG GLN B 81 18.357 57.283 9.909 1.00 67.77 C ATOM 1592 CD GLN B 81 19.251 57.910 10.959 1.00 79.51 C ATOM 1593 OE1 GLN B 81 18.966 58.995 11.466 1.00 87.03 O ATOM 1594 NE2 GLN B 81 20.339 57.225 11.295 1.00 79.97 N ATOM 1595 HE22 GLN B 81 20.540 56.312 10.840 1.00 0.00 H ATOM 1596 HE21 GLN B 81 20.990 57.602 12.013 1.00 0.00 H ATOM 1597 H GLN B 81 15.958 55.500 9.653 1.00 0.00 H ATOM 1598 N ARG B 82 17.206 57.630 6.586 1.00 50.38 N ATOM 1599 CA ARG B 82 17.764 57.169 5.327 1.00 47.17 C ATOM 1600 C ARG B 82 19.257 57.466 5.258 1.00 53.13 C ATOM 1601 O ARG B 82 19.788 58.286 6.011 1.00 49.43 O ATOM 1602 CB ARG B 82 17.066 57.829 4.132 1.00 44.65 C ATOM 1603 CG ARG B 82 15.568 57.631 4.087 1.00 45.00 C ATOM 1604 CD ARG B 82 14.954 58.537 3.037 1.00 49.89 C ATOM 1605 NE ARG B 82 15.596 58.364 1.737 1.00 54.83 N ATOM 1606 CZ ARG B 82 14.977 57.932 0.643 1.00 57.77 C ATOM 1607 NH1 ARG B 82 13.684 57.639 0.679 1.00 59.55 N ATOM 1608 NH2 ARG B 82 15.650 57.803 -0.491 1.00 59.20 N ATOM 1609 HE ARG B 82 16.607 58.595 1.662 1.00 0.00 H ATOM 1610 HH12 ARG B 82 13.203 57.301 -0.179 1.00 0.00 H ATOM 1611 HH11 ARG B 82 13.151 57.747 1.565 1.00 0.00 H ATOM 1612 HH22 ARG B 82 15.166 57.465 -1.347 1.00 0.00 H ATOM 1613 HH21 ARG B 82 16.662 58.040 -0.525 1.00 0.00 H ATOM 1614 H ARG B 82 17.230 58.647 6.801 1.00 0.00 H ATOM 1615 N ASN B 83 19.919 56.757 4.343 1.00 65.95 N ATOM 1616 CA ASN B 83 21.264 57.047 3.854 1.00 73.99 C ATOM 1617 C ASN B 83 22.185 57.732 4.853 1.00 76.25 C ATOM 1618 O ASN B 83 22.729 58.804 4.568 1.00 80.02 O ATOM 1619 CB ASN B 83 21.169 57.904 2.592 1.00 86.51 C ATOM 1620 CG ASN B 83 20.412 57.214 1.484 1.00 91.68 C ATOM 1621 OD1 ASN B 83 20.511 56.000 1.319 1.00 91.70 O ATOM 1622 ND2 ASN B 83 19.642 57.982 0.722 1.00 95.29 N ATOM 1623 HD22 ASN B 83 19.590 59.005 0.900 1.00 0.00 H ATOM 1624 HD21 ASN B 83 19.091 57.560 -0.053 1.00 0.00 H ATOM 1625 H ASN B 83 19.436 55.927 3.944 1.00 0.00 H ATOM 1626 N GLN B 84 22.381 57.124 6.017 1.00 75.32 N ATOM 1627 CA GLN B 84 23.439 57.551 6.918 1.00 75.75 C ATOM 1628 C GLN B 84 24.654 56.638 6.851 1.00 81.23 C ATOM 1629 O GLN B 84 25.719 57.005 7.358 1.00 77.76 O ATOM 1630 CB GLN B 84 22.920 57.614 8.361 1.00 65.72 C ATOM 1631 H GLN B 84 21.768 56.329 6.289 1.00 0.00 H ATOM 1632 N SER B 85 24.524 55.485 6.207 1.00 93.37 N ATOM 1633 CA SER B 85 25.507 54.416 6.256 1.00 93.85 C ATOM 1634 C SER B 85 26.333 54.372 4.977 1.00 91.67 C ATOM 1635 O SER B 85 26.034 55.033 3.980 1.00 95.65 O ATOM 1636 CB SER B 85 24.816 53.067 6.476 1.00 96.33 C ATOM 1637 OG SER B 85 23.917 53.121 7.568 1.00 98.39 O ATOM 1638 HG SER B 85 24.413 53.359 8.391 1.00 0.00 H ATOM 1639 H SER B 85 23.669 55.338 5.634 1.00 0.00 H ATOM 1640 N ASP B 86 27.391 53.577 5.028 1.00 72.42 N ATOM 1641 CA ASP B 86 28.198 53.312 3.852 1.00 56.42 C ATOM 1642 C ASP B 86 27.303 52.676 2.795 1.00 42.62 C ATOM 1643 O ASP B 86 26.789 51.568 3.016 1.00 38.34 O ATOM 1644 CB ASP B 86 29.355 52.379 4.207 1.00 52.72 C ATOM 1645 CG ASP B 86 30.298 52.132 3.040 1.00 54.20 C ATOM 1646 OD1 ASP B 86 29.971 52.519 1.898 1.00 54.58 O ATOM 1647 OD2 ASP B 86 31.368 51.530 3.265 1.00 55.46 O ATOM 1648 H ASP B 86 27.649 53.132 5.932 1.00 0.00 H ATOM 1649 N PRO B 87 27.081 53.326 1.653 1.00 37.89 N ATOM 1650 CA PRO B 87 26.141 52.765 0.670 1.00 39.43 C ATOM 1651 C PRO B 87 26.506 51.365 0.209 1.00 43.30 C ATOM 1652 O PRO B 87 25.620 50.632 -0.247 1.00 45.69 O ATOM 1653 CB PRO B 87 26.201 53.768 -0.491 1.00 40.60 C ATOM 1654 CG PRO B 87 26.795 55.013 0.082 1.00 43.89 C ATOM 1655 CD PRO B 87 27.671 54.600 1.215 1.00 40.04 C ATOM 1656 N THR B 88 27.773 50.964 0.319 1.00 42.87 N ATOM 1657 CA THR B 88 28.222 49.647 -0.114 1.00 39.25 C ATOM 1658 C THR B 88 28.518 48.721 1.058 1.00 34.47 C ATOM 1659 O THR B 88 29.249 47.741 0.897 1.00 39.59 O ATOM 1660 CB THR B 88 29.460 49.774 -1.000 1.00 47.15 C ATOM 1661 OG1 THR B 88 30.520 50.381 -0.251 1.00 51.48 O ATOM 1662 CG2 THR B 88 29.158 50.620 -2.230 1.00 47.17 C ATOM 1663 HG1 THR B 88 30.236 51.280 0.052 1.00 0.00 H ATOM 1664 H THR B 88 28.469 51.618 0.731 1.00 0.00 H ATOM 1665 N MET B 89 27.944 48.997 2.229 1.00 32.95 N ATOM 1666 CA MET B 89 28.283 48.223 3.417 1.00 28.86 C ATOM 1667 C MET B 89 27.942 46.751 3.248 1.00 30.97 C ATOM 1668 O MET B 89 28.643 45.889 3.790 1.00 31.92 O ATOM 1669 CB MET B 89 27.575 48.807 4.634 1.00 29.18 C ATOM 1670 CG MET B 89 26.069 48.838 4.502 1.00 29.22 C ATOM 1671 SD MET B 89 25.259 49.283 6.047 1.00 31.05 S ATOM 1672 CE MET B 89 25.395 47.736 6.935 1.00 19.83 C ATOM 1673 H MET B 89 27.250 49.769 2.296 1.00 0.00 H ATOM 1674 N PHE B 90 26.868 46.438 2.521 1.00 29.62 N ATOM 1675 CA PHE B 90 26.501 45.039 2.331 1.00 24.75 C ATOM 1676 C PHE B 90 27.399 44.336 1.319 1.00 30.48 C ATOM 1677 O PHE B 90 27.557 43.111 1.388 1.00 31.70 O ATOM 1678 CB PHE B 90 25.036 44.929 1.906 1.00 23.22 C ATOM 1679 CG PHE B 90 24.063 45.284 2.993 1.00 24.19 C ATOM 1680 CD1 PHE B 90 23.712 44.355 3.953 1.00 25.50 C ATOM 1681 CD2 PHE B 90 23.495 46.545 3.050 1.00 26.92 C ATOM 1682 CE1 PHE B 90 22.819 44.680 4.957 1.00 22.28 C ATOM 1683 CE2 PHE B 90 22.597 46.876 4.050 1.00 24.53 C ATOM 1684 CZ PHE B 90 22.260 45.944 5.002 1.00 21.55 C ATOM 1685 H PHE B 90 26.293 47.190 2.090 1.00 0.00 H ATOM 1686 N ASN B 91 27.993 45.076 0.376 1.00 30.52 N ATOM 1687 CA ASN B 91 29.022 44.479 -0.470 1.00 28.80 C ATOM 1688 C ASN B 91 30.255 44.102 0.339 1.00 27.18 C ATOM 1689 O ASN B 91 30.822 43.022 0.149 1.00 30.78 O ATOM 1690 CB ASN B 91 29.413 45.431 -1.596 1.00 36.96 C ATOM 1691 CG ASN B 91 28.294 45.668 -2.577 1.00 44.39 C ATOM 1692 OD1 ASN B 91 27.868 46.800 -2.778 1.00 49.77 O ATOM 1693 ND2 ASN B 91 27.821 44.603 -3.209 1.00 46.34 N ATOM 1694 HD22 ASN B 91 28.213 43.661 -3.006 1.00 0.00 H ATOM 1695 HD21 ASN B 91 27.058 44.709 -3.907 1.00 0.00 H ATOM 1696 H ASN B 91 27.723 46.072 0.246 1.00 0.00 H ATOM 1697 N LYS B 92 30.678 44.972 1.256 1.00 27.14 N ATOM 1698 CA LYS B 92 31.875 44.685 2.040 1.00 31.58 C ATOM 1699 C LYS B 92 31.640 43.538 3.017 1.00 29.29 C ATOM 1700 O LYS B 92 32.532 42.710 3.233 1.00 30.12 O ATOM 1701 CB LYS B 92 32.324 45.947 2.772 1.00 32.49 C ATOM 1702 CG LYS B 92 32.541 47.118 1.834 1.00 37.42 C ATOM 1703 CD LYS B 92 32.904 48.390 2.571 1.00 41.45 C ATOM 1704 CE LYS B 92 33.568 49.372 1.623 1.00 49.53 C ATOM 1705 NZ LYS B 92 33.817 50.695 2.252 1.00 55.52 N ATOM 1706 HZ1 LYS B 92 32.913 51.108 2.558 1.00 0.00 H ATOM 1707 HZ2 LYS B 92 34.441 50.574 3.075 1.00 0.00 H ATOM 1708 HZ3 LYS B 92 34.271 51.326 1.561 1.00 0.00 H ATOM 1709 H LYS B 92 30.154 45.857 1.413 1.00 0.00 H ATOM 1710 N ILE B 93 30.444 43.463 3.607 1.00 26.55 N ATOM 1711 CA ILE B 93 30.123 42.343 4.485 1.00 26.10 C ATOM 1712 C ILE B 93 30.084 41.041 3.700 1.00 26.90 C ATOM 1713 O ILE B 93 30.518 39.993 4.192 1.00 27.95 O ATOM 1714 CB ILE B 93 28.788 42.589 5.204 1.00 24.43 C ATOM 1715 CG1 ILE B 93 28.901 43.769 6.157 1.00 28.96 C ATOM 1716 CG2 ILE B 93 28.354 41.339 5.952 1.00 24.16 C ATOM 1717 CD1 ILE B 93 27.568 44.172 6.745 1.00 30.10 C ATOM 1718 H ILE B 93 29.737 44.207 3.439 1.00 0.00 H ATOM 1719 N ALA B 94 29.541 41.074 2.481 1.00 25.37 N ATOM 1720 CA ALA B 94 29.449 39.853 1.689 1.00 26.47 C ATOM 1721 C ALA B 94 30.828 39.303 1.337 1.00 33.00 C ATOM 1722 O ALA B 94 30.985 38.089 1.163 1.00 37.30 O ATOM 1723 CB ALA B 94 28.627 40.105 0.426 1.00 25.15 C ATOM 1724 H ALA B 94 29.183 41.971 2.096 1.00 0.00 H ATOM 1725 N VAL B 95 31.836 40.171 1.227 1.00 35.64 N ATOM 1726 CA VAL B 95 33.184 39.710 0.899 1.00 37.78 C ATOM 1727 C VAL B 95 33.683 38.705 1.927 1.00 34.68 C ATOM 1728 O VAL B 95 34.495 37.831 1.605 1.00 38.53 O ATOM 1729 CB VAL B 95 34.151 40.904 0.760 1.00 37.61 C ATOM 1730 CG1 VAL B 95 35.589 40.418 0.691 1.00 38.91 C ATOM 1731 CG2 VAL B 95 33.818 41.712 -0.488 1.00 32.60 C ATOM 1732 H VAL B 95 31.661 41.185 1.376 1.00 0.00 H ATOM 1733 N PHE B 96 33.216 38.803 3.168 1.00 32.81 N ATOM 1734 CA PHE B 96 33.733 37.972 4.245 1.00 33.93 C ATOM 1735 C PHE B 96 32.808 36.833 4.645 1.00 37.80 C ATOM 1736 O PHE B 96 33.249 35.931 5.365 1.00 43.72 O ATOM 1737 CB PHE B 96 34.028 38.838 5.470 1.00 29.82 C ATOM 1738 CG PHE B 96 35.105 39.840 5.232 1.00 40.42 C ATOM 1739 CD1 PHE B 96 36.437 39.475 5.321 1.00 45.45 C ATOM 1740 CD2 PHE B 96 34.790 41.140 4.885 1.00 45.45 C ATOM 1741 CE1 PHE B 96 37.438 40.392 5.087 1.00 51.52 C ATOM 1742 CE2 PHE B 96 35.785 42.064 4.648 1.00 51.71 C ATOM 1743 CZ PHE B 96 37.113 41.689 4.750 1.00 54.53 C ATOM 1744 H PHE B 96 32.463 39.490 3.374 1.00 0.00 H ATOM 1745 N PHE B 97 31.555 36.832 4.187 1.00 39.24 N ATOM 1746 CA PHE B 97 30.603 35.790 4.547 1.00 39.27 C ATOM 1747 C PHE B 97 29.987 35.092 3.344 1.00 43.53 C ATOM 1748 O PHE B 97 29.141 34.209 3.524 1.00 46.28 O ATOM 1749 CB PHE B 97 29.500 36.375 5.435 1.00 32.92 C ATOM 1750 CG PHE B 97 30.011 36.890 6.740 1.00 34.85 C ATOM 1751 CD1 PHE B 97 30.151 36.045 7.823 1.00 40.35 C ATOM 1752 CD2 PHE B 97 30.383 38.215 6.877 1.00 37.82 C ATOM 1753 CE1 PHE B 97 30.639 36.513 9.026 1.00 44.32 C ATOM 1754 CE2 PHE B 97 30.869 38.692 8.075 1.00 41.64 C ATOM 1755 CZ PHE B 97 30.997 37.840 9.153 1.00 45.38 C ATOM 1756 H PHE B 97 31.249 37.598 3.554 1.00 0.00 H ATOM 1757 N GLN B 98 30.396 35.450 2.133 1.00 45.34 N ATOM 1758 CA GLN B 98 30.012 34.724 0.931 1.00 44.07 C ATOM 1759 C GLN B 98 31.250 34.510 0.066 1.00 47.19 C ATOM 1760 O GLN B 98 31.159 34.140 -1.107 1.00 47.86 O ATOM 1761 CB GLN B 98 28.928 35.469 0.147 1.00 39.77 C ATOM 1762 CG GLN B 98 27.578 35.507 0.828 1.00 35.21 C ATOM 1763 CD GLN B 98 26.538 36.232 0.005 1.00 39.15 C ATOM 1764 OE1 GLN B 98 26.836 37.217 -0.666 1.00 42.08 O ATOM 1765 NE2 GLN B 98 25.308 35.736 0.040 1.00 41.81 N ATOM 1766 OXT GLN B 98 32.374 34.708 0.536 1.00 44.67 O ATOM 1767 HE22 GLN B 98 25.101 34.900 0.623 1.00 0.00 H ATOM 1768 HE21 GLN B 98 24.551 36.183 -0.515 1.00 0.00 H ATOM 1769 H GLN B 98 31.014 36.281 2.039 1.00 0.00 H TER 1770 GLN B 98 HETATM 1771 O HOH 1 17.725 39.108 -0.039 1.00 29.09 O HETATM 1772 O HOH 2 16.371 18.762 20.478 1.00 24.67 O HETATM 1773 O HOH 3 10.925 24.398 2.080 1.00 26.52 O HETATM 1774 O HOH 4 11.518 21.897 19.821 1.00 25.95 O HETATM 1775 O HOH 5 9.558 41.999 1.620 1.00 28.06 O HETATM 1776 O HOH 6 31.755 43.389 18.796 1.00 41.59 O HETATM 1777 O HOH 7 9.395 40.473 3.963 1.00 25.14 O HETATM 1778 O HOH 8 5.328 32.788 9.355 1.00 31.60 O HETATM 1779 O HOH 9 11.031 37.433 17.216 1.00 23.92 O HETATM 1780 O HOH 10 26.499 44.188 18.658 1.00 32.99 O HETATM 1781 O HOH 11 12.909 23.417 2.427 1.00 35.88 O HETATM 1782 O HOH 12 17.193 34.462 21.278 1.00 33.33 O HETATM 1783 O HOH 13 7.774 30.713 2.236 1.00 44.90 O HETATM 1784 O HOH 14 18.999 37.190 -5.134 1.00 26.37 O HETATM 1785 O HOH 15 14.893 20.540 13.618 1.00 34.10 O HETATM 1786 O HOH 16 5.955 26.604 8.613 1.00 31.28 O HETATM 1787 O HOH 17 35.554 49.305 16.766 1.00 38.01 O HETATM 1788 O HOH 18 11.357 19.269 19.642 1.00 28.98 O HETATM 1789 O HOH 19 31.466 26.766 12.511 1.00 43.43 O HETATM 1790 O HOH 20 28.832 31.286 7.233 1.00 43.05 O HETATM 1791 O HOH 21 4.419 36.258 9.539 1.00 33.22 O HETATM 1792 O HOH 22 14.510 20.476 2.612 1.00 52.55 O HETATM 1793 O HOH 23 27.665 32.018 -1.317 1.00 46.96 O HETATM 1794 O HOH 24 26.645 33.756 20.679 1.00 45.82 O HETATM 1795 O HOH 25 5.044 29.862 3.292 1.00 39.41 O HETATM 1796 O HOH 26 7.660 54.811 16.591 1.00 21.97 O HETATM 1797 O HOH 27 19.661 41.993 -4.595 1.00 44.84 O HETATM 1798 O HOH 28 18.386 42.371 18.101 1.00 33.91 O HETATM 1799 O HOH 29 2.942 50.990 10.914 1.00 35.35 O HETATM 1800 O HOH 30 34.848 36.611 8.916 1.00 39.89 O HETATM 1801 O HOH 31 13.933 46.824 -3.215 1.00 75.91 O HETATM 1802 O HOH 32 5.481 40.637 15.096 1.00 41.97 O HETATM 1803 O HOH 33 2.659 44.414 11.643 1.00 40.08 O HETATM 1804 O HOH 34 9.284 56.836 16.358 1.00 48.51 O HETATM 1805 O HOH 35 19.659 44.972 22.781 1.00 29.87 O HETATM 1806 O HOH 36 4.086 42.006 10.053 1.00 37.29 O HETATM 1807 O HOH 37 10.335 45.083 -4.752 1.00 35.58 O HETATM 1808 O HOH 38 10.264 39.027 14.702 1.00 25.60 O HETATM 1809 O HOH 39 25.984 53.151 9.466 1.00 38.88 O HETATM 1810 O HOH 40 27.646 31.446 3.285 1.00 46.60 O HETATM 1811 O HOH 41 30.230 41.369 -2.528 1.00 34.66 O HETATM 1812 O HOH 42 2.834 40.864 13.398 1.00 54.01 O HETATM 1813 O HOH 43 21.790 43.659 -3.690 1.00 76.25 O HETATM 1814 N VAL A 44 13.736 39.498 0.091 1.00 0.23 N HETATM 1815 CA VAL A 44 13.116 38.785 1.203 1.00 0.03 C HETATM 1816 C VAL A 44 12.037 39.653 1.851 1.00 0.08 C HETATM 1817 O VAL A 44 11.778 40.774 1.412 1.00 -0.56 O HETATM 1818 OXT VAL A 44 11.383 39.260 2.818 1.00 -0.56 O HETATM 1819 CB VAL A 44 14.176 38.337 2.238 1.00 0.01 C HETATM 1820 CG1 VAL A 44 15.237 37.471 1.564 1.00 -0.06 C HETATM 1821 H6 VAL A 44 15.984 37.159 2.309 1.00 0.02 H HETATM 1822 H7 VAL A 44 15.731 38.049 0.769 1.00 0.02 H HETATM 1823 H8 VAL A 44 14.761 36.581 1.128 1.00 0.02 H HETATM 1824 CG2 VAL A 44 14.809 39.538 2.917 1.00 -0.06 C HETATM 1825 H9 VAL A 44 14.025 40.145 3.394 1.00 0.02 H HETATM 1826 H10 VAL A 44 15.338 40.146 2.168 1.00 0.02 H HETATM 1827 H11 VAL A 44 15.522 39.194 3.681 1.00 0.02 H HETATM 1828 H5 VAL A 44 13.674 37.732 3.008 1.00 0.04 H HETATM 1829 H4 VAL A 44 12.632 37.882 0.803 1.00 0.10 H HETATM 1830 H1 VAL A 44 13.025 39.778 -0.567 1.00 0.20 H HETATM 1831 H2 VAL A 44 14.399 38.893 -0.368 1.00 0.20 H HETATM 1832 H3 VAL A 44 14.212 40.315 0.440 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 891 892 899 900 901 CONECT 899 891 CONECT 900 891 CONECT 901 891 CONECT 1814 1815 1830 1831 1832 CONECT 1815 1814 1816 1819 1829 CONECT 1816 1815 1817 1818 CONECT 1817 1816 CONECT 1818 1816 CONECT 1819 1815 1820 1824 1828 CONECT 1820 1819 1821 1822 1823 CONECT 1821 1820 CONECT 1822 1820 CONECT 1823 1820 CONECT 1824 1819 1825 1826 1827 CONECT 1825 1824 CONECT 1826 1824 CONECT 1827 1824 CONECT 1828 1819 CONECT 1829 1815 CONECT 1830 1814 CONECT 1831 1814 CONECT 1832 1814 MASTER 0 0 0 0 0 0 0 0 1830 2 27 14 END
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Structure:
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Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 5ypp
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5yum
RCSB PDB
PDBbind
98aa, >5YUM_1|Chain... at 100%
5ypy
RCSB PDB
PDBbind
98aa, >5YPY_1|Chains... at 100%
5ypw
RCSB PDB
PDBbind
98aa, >5YPW_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1t4s
RCSB PDB
PDBbind
VAL
5ypy
RCSB PDB
PDBbind
VAL
5ypw
RCSB PDB
PDBbind
VAL
Entry Information
PDB ID
5ypp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Acetolactate synthase isozyme 1 small subunit
Ligand Name
VAL
EC.Number
E.C.2.2.1.6
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=23uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Biochemistry Vol. 58: pp. 1992-2008
Ligand Properties
Formula
C
5
H
1
2
NO
2
Molecular Weight
118.154
Exact Mass
118.087
No. of atoms
20
No. of bonds
19
Polar Surface Area
64.94
LOGP Value
-1.15 (
Computed with XLOGP3
)
-0.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
Canonical SMILES
[NH3+][C@H](C(=O)O)C(C)C
InChI String
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0ADF8
Entrez Gene ID
NCBI Entrez Gene ID:
56816289
61752823
948183
ASD
Information of known allosteric effects of PDB entries
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