Browse entries in the PDBbind-CN Database
HEADER 5C1Y_COMPLEX COMPND 5C1Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 181 MET GLY PRO SER LEU ASP PHE ALA LEU SER LEU LEU ARG SEQRES 2 A 181 ARG ASN VAL ARG GLN VAL GLN THR ASP GLN GLY HIS PHE SEQRES 3 A 181 THR MET LEU GLY VAL ARG ASP ARG LEU ALA VAL LEU PRO SEQRES 4 A 181 ARG HIS SER GLN PRO GLY LYS THR ILE TRP ILE GLU HIS SEQRES 5 A 181 LYS LEU VAL ASN ILE LEU ASP ALA VAL GLU LEU VAL ASP SEQRES 6 A 181 GLU GLN GLY VAL ASN LEU GLU LEU THR LEU ILE THR LEU SEQRES 7 A 181 ASP THR ASN GLU LYS PHE ARG ASP ILE THR LYS PHE ILE SEQRES 8 A 181 PRO GLU ASN ILE SER THR ALA SER ASP ALA THR LEU VAL SEQRES 9 A 181 ILE ASN THR GLU HIS MET PRO SER MET PHE VAL PRO VAL SEQRES 10 A 181 GLY ASP VAL VAL GLN TYR GLY PHE LEU ASN LEU SER GLY SEQRES 11 A 181 LYS PRO THR HIS ARG THR MET MET TYR ASN PHE PRO THR SEQRES 12 A 181 LYS ALA GLY GLN CYS GLY GLY VAL VAL THR SER VAL GLY SEQRES 13 A 181 LYS VAL ILE GLY ILE HIS ILE GLY GLY ASN GLY ARG GLN SEQRES 14 A 181 GLY PHE CYS ALA GLY LEU LYS ARG SER TYR PHE ALA HET GHY A 239 60 ATOM 1 N MET A 0 0.103 31.718 -26.876 1.00 47.78 N ATOM 2 CA MET A 0 0.347 31.146 -25.512 1.00 46.83 C ATOM 3 C MET A 0 0.709 32.167 -24.472 1.00 42.37 C ATOM 4 O MET A 0 1.469 33.091 -24.736 1.00 50.83 O ATOM 5 CB MET A 0 1.523 30.228 -25.569 1.00 48.67 C ATOM 6 CG MET A 0 1.397 29.043 -24.659 1.00 49.65 C ATOM 7 SD MET A 0 2.655 27.933 -25.226 1.00 50.86 S ATOM 8 CE MET A 0 1.853 26.905 -26.461 1.00 53.52 C ATOM 9 HN3 MET A 0 0.963 32.200 -27.207 1.00 0.00 H ATOM 10 HN2 MET A 0 -0.682 32.399 -26.830 1.00 0.00 H ATOM 11 HN1 MET A 0 -0.141 30.950 -27.534 1.00 0.00 H ATOM 12 N GLY A 1 0.243 31.937 -23.263 1.00 36.41 N ATOM 13 CA GLY A 1 0.712 32.683 -22.110 1.00 34.97 C ATOM 14 C GLY A 1 2.043 32.206 -21.536 1.00 36.11 C ATOM 15 O GLY A 1 2.605 31.170 -21.953 1.00 29.69 O ATOM 16 H GLY A 1 -0.480 31.201 -23.130 1.00 0.00 H ATOM 17 N PRO A 2 2.520 32.923 -20.538 1.00 39.24 N ATOM 18 CA PRO A 2 3.881 32.784 -20.034 1.00 40.62 C ATOM 19 C PRO A 2 4.101 31.576 -19.163 1.00 37.78 C ATOM 20 O PRO A 2 5.169 30.970 -19.269 1.00 35.60 O ATOM 21 CB PRO A 2 4.061 34.044 -19.178 1.00 39.37 C ATOM 22 CG PRO A 2 2.659 34.395 -18.731 1.00 39.21 C ATOM 23 CD PRO A 2 1.835 34.094 -19.947 1.00 40.81 C ATOM 24 N SER A 3 3.130 31.233 -18.322 1.00 33.32 N ATOM 25 CA SER A 3 3.276 30.081 -17.434 1.00 32.28 C ATOM 26 C SER A 3 3.210 28.773 -18.214 1.00 28.57 C ATOM 27 O SER A 3 3.952 27.812 -17.914 1.00 22.86 O ATOM 28 CB SER A 3 2.211 30.049 -16.347 1.00 37.41 C ATOM 29 OG SER A 3 2.328 31.121 -15.445 1.00 37.91 O ATOM 30 HG SER A 3 1.615 31.054 -14.761 1.00 0.00 H ATOM 31 H SER A 3 2.254 31.793 -18.296 1.00 0.00 H ATOM 32 N LEU A 4 2.335 28.742 -19.213 1.00 28.61 N ATOM 33 CA LEU A 4 2.198 27.573 -20.025 1.00 28.12 C ATOM 34 C LEU A 4 3.460 27.430 -20.866 1.00 30.32 C ATOM 35 O LEU A 4 3.969 26.340 -21.062 1.00 21.72 O ATOM 36 CB LEU A 4 0.960 27.660 -20.923 1.00 26.03 C ATOM 37 CG LEU A 4 0.703 26.437 -21.830 1.00 26.88 C ATOM 38 CD1 LEU A 4 0.599 25.111 -21.049 1.00 25.06 C ATOM 39 CD2 LEU A 4 -0.565 26.646 -22.657 1.00 25.98 C ATOM 40 H LEU A 4 1.744 29.576 -19.406 1.00 0.00 H ATOM 41 N ASP A 5 3.946 28.553 -21.386 1.00 27.32 N ATOM 42 CA ASP A 5 5.159 28.513 -22.200 1.00 27.33 C ATOM 43 C ASP A 5 6.367 28.025 -21.405 1.00 24.86 C ATOM 44 O ASP A 5 7.150 27.185 -21.896 1.00 28.65 O ATOM 45 CB ASP A 5 5.449 29.909 -22.766 1.00 27.98 C ATOM 46 CG ASP A 5 6.743 29.984 -23.487 1.00 32.97 C ATOM 47 OD1 ASP A 5 6.813 29.478 -24.652 1.00 38.25 O ATOM 48 OD2 ASP A 5 7.668 30.568 -22.875 1.00 34.62 O ATOM 49 H ASP A 5 3.464 29.458 -21.214 1.00 0.00 H ATOM 50 N PHE A 6 6.523 28.497 -20.189 1.00 21.80 N ATOM 51 CA PHE A 6 7.610 28.074 -19.342 1.00 23.46 C ATOM 52 C PHE A 6 7.551 26.557 -18.976 1.00 24.35 C ATOM 53 O PHE A 6 8.550 25.883 -19.048 1.00 20.44 O ATOM 54 CB PHE A 6 7.642 28.913 -18.093 1.00 24.58 C ATOM 55 CG PHE A 6 8.734 28.574 -17.139 1.00 25.24 C ATOM 56 CD1 PHE A 6 10.026 29.071 -17.340 1.00 27.13 C ATOM 57 CD2 PHE A 6 8.473 27.831 -16.016 1.00 24.60 C ATOM 58 CE1 PHE A 6 11.030 28.790 -16.433 1.00 28.27 C ATOM 59 CE2 PHE A 6 9.468 27.548 -15.093 1.00 25.92 C ATOM 60 CZ PHE A 6 10.757 28.028 -15.292 1.00 26.22 C ATOM 61 H PHE A 6 5.843 29.196 -19.827 1.00 0.00 H ATOM 62 N ALA A 7 6.399 26.055 -18.588 1.00 22.51 N ATOM 63 CA ALA A 7 6.270 24.628 -18.252 1.00 23.73 C ATOM 64 C ALA A 7 6.481 23.759 -19.449 1.00 22.08 C ATOM 65 O ALA A 7 7.131 22.719 -19.336 1.00 23.54 O ATOM 66 CB ALA A 7 4.920 24.362 -17.623 1.00 23.99 C ATOM 67 H ALA A 7 5.567 26.675 -18.518 1.00 0.00 H ATOM 68 N LEU A 8 5.922 24.137 -20.599 1.00 23.98 N ATOM 69 CA LEU A 8 6.139 23.355 -21.817 1.00 21.87 C ATOM 70 C LEU A 8 7.618 23.384 -22.248 1.00 24.78 C ATOM 71 O LEU A 8 8.184 22.405 -22.741 1.00 21.34 O ATOM 72 CB LEU A 8 5.272 23.842 -22.949 1.00 24.45 C ATOM 73 CG LEU A 8 3.750 23.665 -22.756 1.00 23.88 C ATOM 74 CD1 LEU A 8 3.061 24.262 -23.958 1.00 26.75 C ATOM 75 CD2 LEU A 8 3.387 22.181 -22.674 1.00 25.23 C ATOM 76 H LEU A 8 5.329 24.991 -20.631 1.00 0.00 H ATOM 77 N SER A 9 8.254 24.529 -22.086 1.00 24.23 N ATOM 78 CA SER A 9 9.651 24.628 -22.422 1.00 26.58 C ATOM 79 C SER A 9 10.526 23.763 -21.464 1.00 25.45 C ATOM 80 O SER A 9 11.477 23.072 -21.884 1.00 24.34 O ATOM 81 CB SER A 9 10.040 26.094 -22.399 1.00 31.92 C ATOM 82 OG SER A 9 11.398 26.187 -22.165 1.00 39.46 O ATOM 83 HG SER A 9 11.611 25.768 -21.294 1.00 0.00 H ATOM 84 H SER A 9 7.747 25.359 -21.716 1.00 0.00 H ATOM 85 N LEU A 10 10.177 23.750 -20.195 1.00 23.55 N ATOM 86 CA LEU A 10 10.771 22.805 -19.268 1.00 25.42 C ATOM 87 C LEU A 10 10.661 21.379 -19.727 1.00 25.09 C ATOM 88 O LEU A 10 11.649 20.635 -19.730 1.00 25.72 O ATOM 89 CB LEU A 10 10.148 22.944 -17.911 1.00 27.80 C ATOM 90 CG LEU A 10 10.764 23.907 -16.932 1.00 28.13 C ATOM 91 CD1 LEU A 10 10.073 23.681 -15.600 1.00 29.69 C ATOM 92 CD2 LEU A 10 12.276 23.750 -16.741 1.00 27.27 C ATOM 93 H LEU A 10 9.466 24.427 -19.852 1.00 0.00 H ATOM 94 N LEU A 11 9.473 20.990 -20.139 1.00 24.05 N ATOM 95 CA LEU A 11 9.236 19.671 -20.614 1.00 24.56 C ATOM 96 C LEU A 11 10.033 19.316 -21.839 1.00 25.65 C ATOM 97 O LEU A 11 10.536 18.205 -21.979 1.00 27.86 O ATOM 98 CB LEU A 11 7.762 19.518 -20.952 1.00 25.64 C ATOM 99 CG LEU A 11 6.967 19.064 -19.745 1.00 24.49 C ATOM 100 CD1 LEU A 11 5.474 19.288 -19.954 1.00 28.14 C ATOM 101 CD2 LEU A 11 7.246 17.600 -19.466 1.00 23.11 C ATOM 102 H LEU A 11 8.684 21.668 -20.116 1.00 0.00 H ATOM 103 N ARG A 12 10.144 20.254 -22.756 1.00 23.03 N ATOM 104 CA ARG A 12 10.902 19.989 -23.934 1.00 24.88 C ATOM 105 C ARG A 12 12.387 19.888 -23.640 1.00 22.43 C ATOM 106 O ARG A 12 13.079 19.108 -24.209 1.00 26.36 O ATOM 107 CB ARG A 12 10.735 21.143 -24.926 1.00 29.19 C ATOM 108 CG ARG A 12 9.695 20.928 -26.009 1.00 37.62 C ATOM 109 CD ARG A 12 10.124 21.629 -27.286 1.00 35.89 C ATOM 110 NE ARG A 12 10.865 22.830 -26.937 1.00 38.63 N ATOM 111 CZ ARG A 12 10.281 23.937 -26.506 1.00 46.96 C ATOM 112 NH1 ARG A 12 8.945 23.978 -26.433 1.00 52.56 N ATOM 113 NH2 ARG A 12 11.014 24.998 -26.161 1.00 41.20 N ATOM 114 HE ARG A 12 11.901 22.819 -27.030 1.00 0.00 H ATOM 115 HH12 ARG A 12 8.469 24.839 -26.097 1.00 0.00 H ATOM 116 HH11 ARG A 12 8.383 23.149 -26.713 1.00 0.00 H ATOM 117 HH22 ARG A 12 10.548 25.864 -25.823 1.00 0.00 H ATOM 118 HH21 ARG A 12 12.051 24.958 -26.230 1.00 0.00 H ATOM 119 H ARG A 12 9.684 21.177 -22.623 1.00 0.00 H ATOM 120 N ARG A 13 12.894 20.772 -22.832 1.00 20.10 N ATOM 121 CA ARG A 13 14.336 20.977 -22.716 1.00 22.01 C ATOM 122 C ARG A 13 14.975 20.320 -21.499 1.00 19.38 C ATOM 123 O ARG A 13 16.142 19.969 -21.571 1.00 19.50 O ATOM 124 CB ARG A 13 14.643 22.468 -22.701 1.00 25.95 C ATOM 125 CG ARG A 13 14.437 23.106 -24.064 1.00 31.13 C ATOM 126 CD ARG A 13 14.871 24.555 -23.966 1.00 40.42 C ATOM 127 NE ARG A 13 14.804 25.267 -25.228 1.00 50.45 N ATOM 128 CZ ARG A 13 15.827 25.899 -25.799 1.00 57.82 C ATOM 129 NH1 ARG A 13 17.043 25.902 -25.235 1.00 49.51 N ATOM 130 NH2 ARG A 13 15.627 26.507 -26.984 1.00 63.71 N ATOM 131 HE ARG A 13 13.890 25.285 -25.723 1.00 0.00 H ATOM 132 HH12 ARG A 13 17.829 26.402 -25.697 1.00 0.00 H ATOM 133 HH11 ARG A 13 17.200 25.405 -24.335 1.00 0.00 H ATOM 134 HH22 ARG A 13 16.410 27.007 -27.450 1.00 0.00 H ATOM 135 HH21 ARG A 13 14.689 26.476 -27.433 1.00 0.00 H ATOM 136 H ARG A 13 12.254 21.350 -22.251 1.00 0.00 H ATOM 137 N ASN A 14 14.261 20.191 -20.387 1.00 18.61 N ATOM 138 CA ASN A 14 14.919 19.774 -19.149 1.00 16.25 C ATOM 139 C ASN A 14 14.293 18.599 -18.422 1.00 16.57 C ATOM 140 O ASN A 14 14.931 18.059 -17.559 1.00 16.91 O ATOM 141 CB ASN A 14 15.024 20.946 -18.196 1.00 14.49 C ATOM 142 CG ASN A 14 15.881 22.056 -18.726 1.00 16.06 C ATOM 143 OD1 ASN A 14 15.396 22.935 -19.498 1.00 17.93 O ATOM 144 ND2 ASN A 14 17.145 22.066 -18.343 1.00 15.44 N ATOM 145 HD22 ASN A 14 17.502 21.324 -17.708 1.00 0.00 H ATOM 146 HD21 ASN A 14 17.784 22.816 -18.677 1.00 0.00 H ATOM 147 H ASN A 14 13.239 20.385 -20.396 1.00 0.00 H ATOM 148 N VAL A 15 13.047 18.220 -18.705 1.00 17.07 N ATOM 149 CA VAL A 15 12.351 17.271 -17.835 1.00 18.00 C ATOM 150 C VAL A 15 12.156 15.990 -18.604 1.00 20.22 C ATOM 151 O VAL A 15 11.401 15.986 -19.549 1.00 20.86 O ATOM 152 CB VAL A 15 10.978 17.814 -17.387 1.00 18.29 C ATOM 153 CG1 VAL A 15 10.227 16.778 -16.583 1.00 20.74 C ATOM 154 CG2 VAL A 15 11.151 19.136 -16.611 1.00 17.87 C ATOM 155 H VAL A 15 12.568 18.600 -19.546 1.00 0.00 H ATOM 156 N ARG A 16 12.842 14.911 -18.211 1.00 17.98 N ATOM 157 CA ARG A 16 12.925 13.726 -19.022 1.00 18.15 C ATOM 158 C ARG A 16 12.272 12.481 -18.437 1.00 15.79 C ATOM 159 O ARG A 16 12.221 12.283 -17.240 1.00 16.49 O ATOM 160 CB ARG A 16 14.413 13.381 -19.219 1.00 21.04 C ATOM 161 CG ARG A 16 15.232 14.466 -19.872 1.00 23.46 C ATOM 162 CD ARG A 16 15.121 14.386 -21.383 1.00 26.32 C ATOM 163 NE ARG A 16 16.045 15.315 -22.008 1.00 32.05 N ATOM 164 CZ ARG A 16 15.684 16.504 -22.483 1.00 34.09 C ATOM 165 NH1 ARG A 16 14.406 16.883 -22.428 1.00 35.84 N ATOM 166 NH2 ARG A 16 16.595 17.277 -23.047 1.00 37.87 N ATOM 167 HE ARG A 16 17.044 15.036 -22.089 1.00 0.00 H ATOM 168 HH12 ARG A 16 14.123 17.812 -22.799 1.00 0.00 H ATOM 169 HH11 ARG A 16 13.693 16.249 -22.014 1.00 0.00 H ATOM 170 HH22 ARG A 16 16.326 18.209 -23.422 1.00 0.00 H ATOM 171 HH21 ARG A 16 17.581 16.954 -23.116 1.00 0.00 H ATOM 172 H ARG A 16 13.329 14.929 -17.292 1.00 0.00 H ATOM 173 N GLN A 17 11.817 11.600 -19.311 1.00 15.93 N ATOM 174 CA GLN A 17 11.276 10.309 -18.957 1.00 14.84 C ATOM 175 C GLN A 17 12.388 9.290 -18.702 1.00 15.80 C ATOM 176 O GLN A 17 13.216 9.043 -19.570 1.00 17.51 O ATOM 177 CB GLN A 17 10.391 9.810 -20.085 1.00 15.94 C ATOM 178 CG GLN A 17 9.154 10.679 -20.423 1.00 16.25 C ATOM 179 CD GLN A 17 8.390 10.122 -21.603 1.00 20.52 C ATOM 180 OE1 GLN A 17 8.737 9.062 -22.138 1.00 21.27 O ATOM 181 NE2 GLN A 17 7.346 10.824 -22.025 1.00 21.44 N ATOM 182 HE22 GLN A 17 7.088 11.711 -21.547 1.00 0.00 H ATOM 183 HE21 GLN A 17 6.786 10.487 -22.834 1.00 0.00 H ATOM 184 H GLN A 17 11.851 11.853 -20.319 1.00 0.00 H ATOM 185 N VAL A 18 12.418 8.704 -17.509 1.00 14.86 N ATOM 186 CA VAL A 18 13.469 7.731 -17.184 1.00 14.84 C ATOM 187 C VAL A 18 12.937 6.502 -16.471 1.00 14.28 C ATOM 188 O VAL A 18 11.847 6.487 -15.947 1.00 14.82 O ATOM 189 CB VAL A 18 14.645 8.339 -16.354 1.00 14.64 C ATOM 190 CG1 VAL A 18 15.103 9.664 -16.995 1.00 15.28 C ATOM 191 CG2 VAL A 18 14.171 8.576 -14.924 1.00 15.70 C ATOM 192 H VAL A 18 11.692 8.936 -16.801 1.00 0.00 H ATOM 193 N GLN A 19 13.753 5.458 -16.523 1.00 16.91 N ATOM 194 CA GLN A 19 13.456 4.192 -15.879 1.00 21.42 C ATOM 195 C GLN A 19 14.744 3.668 -15.261 1.00 19.94 C ATOM 196 O GLN A 19 15.789 3.736 -15.874 1.00 21.49 O ATOM 197 CB GLN A 19 12.972 3.118 -16.881 1.00 22.54 C ATOM 198 CG GLN A 19 11.662 3.410 -17.555 1.00 28.16 C ATOM 199 CD GLN A 19 11.311 2.347 -18.583 1.00 28.38 C ATOM 200 OE1 GLN A 19 11.398 1.175 -18.273 1.00 25.34 O ATOM 201 NE2 GLN A 19 10.901 2.772 -19.815 1.00 27.96 N ATOM 202 HE22 GLN A 19 10.846 3.790 -20.022 1.00 0.00 H ATOM 203 HE21 GLN A 19 10.644 2.078 -20.545 1.00 0.00 H ATOM 204 H GLN A 19 14.646 5.551 -17.049 1.00 0.00 H ATOM 205 N THR A 20 14.637 3.181 -14.055 1.00 23.89 N ATOM 206 CA THR A 20 15.750 2.527 -13.349 1.00 24.06 C ATOM 207 C THR A 20 15.227 1.188 -12.900 1.00 30.31 C ATOM 208 O THR A 20 14.091 0.848 -13.207 1.00 30.05 O ATOM 209 CB THR A 20 16.169 3.303 -12.094 1.00 20.91 C ATOM 210 OG1 THR A 20 15.133 3.199 -11.102 1.00 20.53 O ATOM 211 CG2 THR A 20 16.385 4.759 -12.436 1.00 23.25 C ATOM 212 HG1 THR A 20 15.402 3.700 -10.291 1.00 0.00 H ATOM 213 H THR A 20 13.721 3.259 -13.569 1.00 0.00 H ATOM 214 N ASP A 21 16.040 0.448 -12.139 1.00 31.38 N ATOM 215 CA ASP A 21 15.567 -0.839 -11.606 1.00 35.08 C ATOM 216 C ASP A 21 14.329 -0.652 -10.778 1.00 34.05 C ATOM 217 O ASP A 21 13.518 -1.547 -10.673 1.00 34.45 O ATOM 218 CB ASP A 21 16.679 -1.527 -10.799 1.00 36.41 C ATOM 219 CG ASP A 21 17.787 -2.047 -11.693 1.00 44.40 C ATOM 220 OD1 ASP A 21 17.490 -2.462 -12.830 1.00 51.71 O ATOM 221 OD2 ASP A 21 18.969 -2.023 -11.286 1.00 54.70 O ATOM 222 H ASP A 21 17.002 0.781 -11.925 1.00 0.00 H ATOM 223 N GLN A 22 14.180 0.521 -10.165 1.00 31.02 N ATOM 224 CA GLN A 22 13.012 0.809 -9.330 1.00 28.08 C ATOM 225 C GLN A 22 11.777 1.237 -10.100 1.00 28.41 C ATOM 226 O GLN A 22 10.770 1.459 -9.528 1.00 29.17 O ATOM 227 CB GLN A 22 13.353 1.919 -8.310 1.00 29.53 C ATOM 228 CG GLN A 22 14.410 1.515 -7.295 1.00 29.97 C ATOM 229 CD GLN A 22 14.050 0.220 -6.579 1.00 31.77 C ATOM 230 OE1 GLN A 22 14.664 -0.796 -6.822 1.00 32.44 O ATOM 231 NE2 GLN A 22 13.048 0.268 -5.695 1.00 33.48 N ATOM 232 HE22 GLN A 22 12.551 1.165 -5.521 1.00 0.00 H ATOM 233 HE21 GLN A 22 12.766 -0.591 -5.182 1.00 0.00 H ATOM 234 H GLN A 22 14.912 1.251 -10.282 1.00 0.00 H ATOM 235 N GLY A 23 11.862 1.407 -11.412 1.00 28.87 N ATOM 236 CA GLY A 23 10.677 1.808 -12.177 1.00 27.45 C ATOM 237 C GLY A 23 10.782 3.183 -12.841 1.00 23.59 C ATOM 238 O GLY A 23 11.878 3.652 -13.095 1.00 22.71 O ATOM 239 H GLY A 23 12.769 1.256 -11.898 1.00 0.00 H ATOM 240 N HIS A 24 9.638 3.797 -13.101 1.00 21.62 N ATOM 241 CA HIS A 24 9.543 5.048 -13.903 1.00 22.42 C ATOM 242 C HIS A 24 9.615 6.289 -13.039 1.00 19.31 C ATOM 243 O HIS A 24 8.908 6.421 -12.038 1.00 20.27 O ATOM 244 CB HIS A 24 8.226 5.060 -14.659 1.00 23.57 C ATOM 245 CG HIS A 24 8.165 4.006 -15.737 1.00 24.61 C ATOM 246 ND1 HIS A 24 7.746 2.704 -15.496 1.00 31.90 N ATOM 247 CD2 HIS A 24 8.493 4.050 -17.048 1.00 25.03 C ATOM 248 CE1 HIS A 24 7.799 2.004 -16.617 1.00 27.57 C ATOM 249 NE2 HIS A 24 8.264 2.794 -17.574 1.00 32.67 N ATOM 250 H HIS A 24 8.760 3.384 -12.726 1.00 0.00 H ATOM 251 N PHE A 25 10.441 7.232 -13.456 1.00 19.01 N ATOM 252 CA PHE A 25 10.603 8.453 -12.708 1.00 16.62 C ATOM 253 C PHE A 25 10.669 9.586 -13.711 1.00 15.41 C ATOM 254 O PHE A 25 11.016 9.406 -14.875 1.00 16.41 O ATOM 255 CB PHE A 25 11.865 8.391 -11.868 1.00 16.47 C ATOM 256 CG PHE A 25 11.748 7.441 -10.722 1.00 17.94 C ATOM 257 CD1 PHE A 25 11.267 7.863 -9.495 1.00 18.99 C ATOM 258 CD2 PHE A 25 12.068 6.112 -10.887 1.00 20.11 C ATOM 259 CE1 PHE A 25 11.133 6.955 -8.441 1.00 22.87 C ATOM 260 CE2 PHE A 25 11.954 5.194 -9.859 1.00 21.27 C ATOM 261 CZ PHE A 25 11.483 5.603 -8.626 1.00 21.32 C ATOM 262 H PHE A 25 10.980 7.092 -14.334 1.00 0.00 H ATOM 263 N THR A 26 10.403 10.765 -13.227 1.00 15.09 N ATOM 264 CA THR A 26 10.728 12.014 -13.943 1.00 16.13 C ATOM 265 C THR A 26 12.100 12.477 -13.476 1.00 16.27 C ATOM 266 O THR A 26 12.383 12.394 -12.297 1.00 16.00 O ATOM 267 CB THR A 26 9.702 13.058 -13.560 1.00 16.25 C ATOM 268 OG1 THR A 26 8.399 12.628 -13.997 1.00 16.96 O ATOM 269 CG2 THR A 26 10.011 14.411 -14.216 1.00 15.08 C ATOM 270 HG1 THR A 26 8.174 11.767 -13.563 1.00 0.00 H ATOM 271 H THR A 26 9.942 10.829 -12.297 1.00 0.00 H ATOM 272 N MET A 27 12.963 12.910 -14.402 1.00 15.90 N ATOM 273 CA MET A 27 14.310 13.365 -14.100 1.00 16.09 C ATOM 274 C MET A 27 14.450 14.815 -14.512 1.00 15.27 C ATOM 275 O MET A 27 14.065 15.168 -15.593 1.00 17.47 O ATOM 276 CB MET A 27 15.328 12.587 -14.864 1.00 16.62 C ATOM 277 CG MET A 27 16.802 12.892 -14.489 1.00 20.55 C ATOM 278 SD MET A 27 17.999 11.997 -15.528 1.00 21.82 S ATOM 279 CE MET A 27 17.856 13.021 -16.984 1.00 22.33 C ATOM 280 H MET A 27 12.652 12.922 -15.394 1.00 0.00 H ATOM 281 N LEU A 28 15.022 15.661 -13.674 1.00 14.95 N ATOM 282 CA LEU A 28 15.291 17.052 -14.096 1.00 13.83 C ATOM 283 C LEU A 28 16.789 17.230 -14.454 1.00 13.63 C ATOM 284 O LEU A 28 17.642 17.037 -13.640 1.00 12.64 O ATOM 285 CB LEU A 28 14.954 18.009 -12.986 1.00 12.84 C ATOM 286 CG LEU A 28 15.140 19.509 -13.212 1.00 12.36 C ATOM 287 CD1 LEU A 28 14.262 20.042 -14.242 1.00 13.10 C ATOM 288 CD2 LEU A 28 14.885 20.205 -11.806 1.00 14.08 C ATOM 289 H LEU A 28 15.283 15.348 -12.717 1.00 0.00 H ATOM 290 N GLY A 29 17.057 17.602 -15.693 1.00 15.12 N ATOM 291 CA GLY A 29 18.397 17.958 -16.169 1.00 14.99 C ATOM 292 C GLY A 29 18.595 19.452 -15.833 1.00 14.79 C ATOM 293 O GLY A 29 17.744 20.268 -16.166 1.00 17.16 O ATOM 294 H GLY A 29 16.270 17.645 -16.371 1.00 0.00 H ATOM 295 N VAL A 30 19.663 19.790 -15.124 1.00 15.22 N ATOM 296 CA VAL A 30 19.816 21.117 -14.537 1.00 17.73 C ATOM 297 C VAL A 30 20.768 21.996 -15.321 1.00 18.86 C ATOM 298 O VAL A 30 20.456 23.119 -15.635 1.00 18.85 O ATOM 299 CB VAL A 30 20.259 21.014 -13.077 1.00 22.88 C ATOM 300 CG1 VAL A 30 20.676 22.384 -12.547 1.00 23.55 C ATOM 301 CG2 VAL A 30 19.127 20.420 -12.222 1.00 20.52 C ATOM 302 H VAL A 30 20.416 19.087 -14.982 1.00 0.00 H ATOM 303 N ARG A 31 21.925 21.467 -15.663 1.00 19.41 N ATOM 304 CA ARG A 31 22.876 22.155 -16.489 1.00 18.00 C ATOM 305 C ARG A 31 23.881 21.128 -16.971 1.00 19.89 C ATOM 306 O ARG A 31 24.070 20.082 -16.312 1.00 17.41 O ATOM 307 CB ARG A 31 23.598 23.263 -15.710 1.00 19.67 C ATOM 308 CG ARG A 31 24.501 22.779 -14.619 1.00 19.58 C ATOM 309 CD ARG A 31 25.477 23.875 -14.180 1.00 22.43 C ATOM 310 NE ARG A 31 26.174 23.464 -12.966 1.00 22.97 N ATOM 311 CZ ARG A 31 27.162 22.574 -12.902 1.00 25.95 C ATOM 312 NH1 ARG A 31 27.622 22.003 -13.985 1.00 28.40 N ATOM 313 NH2 ARG A 31 27.705 22.250 -11.742 1.00 28.23 N ATOM 314 HE ARG A 31 25.873 23.904 -12.073 1.00 0.00 H ATOM 315 HH12 ARG A 31 28.394 21.310 -13.919 1.00 0.00 H ATOM 316 HH11 ARG A 31 27.216 22.242 -14.912 1.00 0.00 H ATOM 317 HH22 ARG A 31 28.476 21.553 -11.705 1.00 0.00 H ATOM 318 HH21 ARG A 31 27.361 22.692 -10.865 1.00 0.00 H ATOM 319 H ARG A 31 22.159 20.513 -15.321 1.00 0.00 H ATOM 320 N ASP A 32 24.552 21.424 -18.090 1.00 20.30 N ATOM 321 CA ASP A 32 25.681 20.617 -18.535 1.00 22.30 C ATOM 322 C ASP A 32 25.239 19.151 -18.588 1.00 20.08 C ATOM 323 O ASP A 32 24.229 18.889 -19.188 1.00 18.08 O ATOM 324 CB ASP A 32 26.885 20.849 -17.616 1.00 26.66 C ATOM 325 CG ASP A 32 27.311 22.359 -17.606 1.00 30.70 C ATOM 326 OD1 ASP A 32 27.631 22.862 -18.727 1.00 33.22 O ATOM 327 OD2 ASP A 32 27.255 23.029 -16.562 1.00 26.82 O ATOM 328 H ASP A 32 24.262 22.248 -18.654 1.00 0.00 H ATOM 329 N ARG A 33 25.955 18.224 -17.941 1.00 19.30 N ATOM 330 CA ARG A 33 25.532 16.791 -17.954 1.00 20.34 C ATOM 331 C ARG A 33 25.016 16.366 -16.569 1.00 18.95 C ATOM 332 O ARG A 33 24.971 15.183 -16.237 1.00 19.48 O ATOM 333 CB ARG A 33 26.718 15.909 -18.398 1.00 23.54 C ATOM 334 CG ARG A 33 27.485 16.525 -19.533 1.00 31.19 C ATOM 335 CD ARG A 33 28.284 15.531 -20.353 1.00 39.81 C ATOM 336 NE ARG A 33 28.329 15.976 -21.749 1.00 47.33 N ATOM 337 CZ ARG A 33 28.866 17.128 -22.153 1.00 50.84 C ATOM 338 NH1 ARG A 33 29.420 17.984 -21.286 1.00 54.68 N ATOM 339 NH2 ARG A 33 28.862 17.440 -23.436 1.00 55.53 N ATOM 340 HE ARG A 33 27.915 15.353 -22.471 1.00 0.00 H ATOM 341 HH12 ARG A 33 29.832 18.876 -21.627 1.00 0.00 H ATOM 342 HH11 ARG A 33 29.438 17.757 -20.271 1.00 0.00 H ATOM 343 HH22 ARG A 33 29.280 18.338 -23.754 1.00 0.00 H ATOM 344 HH21 ARG A 33 28.441 16.788 -24.128 1.00 0.00 H ATOM 345 H ARG A 33 26.813 18.503 -17.425 1.00 0.00 H ATOM 346 N LEU A 34 24.634 17.361 -15.769 1.00 17.90 N ATOM 347 CA LEU A 34 24.113 17.206 -14.426 1.00 19.69 C ATOM 348 C LEU A 34 22.595 17.193 -14.363 1.00 17.64 C ATOM 349 O LEU A 34 21.929 18.126 -14.763 1.00 15.05 O ATOM 350 CB LEU A 34 24.618 18.366 -13.555 1.00 20.57 C ATOM 351 CG LEU A 34 24.288 18.301 -12.075 1.00 23.88 C ATOM 352 CD1 LEU A 34 25.056 17.194 -11.423 1.00 25.19 C ATOM 353 CD2 LEU A 34 24.700 19.625 -11.442 1.00 27.85 C ATOM 354 H LEU A 34 24.717 18.329 -16.140 1.00 0.00 H ATOM 355 N ALA A 35 22.074 16.110 -13.789 1.00 15.08 N ATOM 356 CA ALA A 35 20.636 15.962 -13.502 1.00 14.91 C ATOM 357 C ALA A 35 20.394 15.568 -12.038 1.00 15.73 C ATOM 358 O ALA A 35 21.311 15.118 -11.341 1.00 15.91 O ATOM 359 CB ALA A 35 19.991 14.924 -14.408 1.00 14.53 C ATOM 360 H ALA A 35 22.713 15.331 -13.531 1.00 0.00 H ATOM 361 N VAL A 36 19.152 15.671 -11.644 1.00 16.28 N ATOM 362 CA VAL A 36 18.749 15.283 -10.351 1.00 18.31 C ATOM 363 C VAL A 36 17.536 14.358 -10.385 1.00 18.24 C ATOM 364 O VAL A 36 16.563 14.545 -11.129 1.00 19.21 O ATOM 365 CB VAL A 36 18.505 16.519 -9.500 1.00 17.61 C ATOM 366 CG1 VAL A 36 17.324 17.299 -9.996 1.00 18.39 C ATOM 367 CG2 VAL A 36 18.354 16.149 -8.033 1.00 20.19 C ATOM 368 H VAL A 36 18.442 16.050 -12.303 1.00 0.00 H ATOM 369 N LEU A 37 17.582 13.403 -9.488 1.00 19.74 N ATOM 370 CA LEU A 37 16.494 12.451 -9.268 1.00 21.50 C ATOM 371 C LEU A 37 16.217 12.232 -7.780 1.00 19.92 C ATOM 372 O LEU A 37 17.099 12.413 -6.962 1.00 18.47 O ATOM 373 CB LEU A 37 16.942 11.068 -9.771 1.00 23.07 C ATOM 374 CG LEU A 37 17.018 10.784 -11.244 1.00 26.48 C ATOM 375 CD1 LEU A 37 17.949 9.597 -11.429 1.00 30.13 C ATOM 376 CD2 LEU A 37 15.693 10.396 -11.813 1.00 28.91 C ATOM 377 H LEU A 37 18.437 13.318 -8.902 1.00 0.00 H ATOM 378 N PRO A 38 15.041 11.744 -7.435 1.00 19.32 N ATOM 379 CA PRO A 38 14.818 11.296 -6.073 1.00 18.73 C ATOM 380 C PRO A 38 15.728 10.136 -5.716 1.00 20.26 C ATOM 381 O PRO A 38 15.915 9.192 -6.511 1.00 20.07 O ATOM 382 CB PRO A 38 13.381 10.807 -6.075 1.00 19.95 C ATOM 383 CG PRO A 38 12.778 11.359 -7.277 1.00 20.66 C ATOM 384 CD PRO A 38 13.854 11.573 -8.268 1.00 20.55 C ATOM 385 N ARG A 39 16.334 10.230 -4.545 1.00 22.35 N ATOM 386 CA ARG A 39 17.248 9.197 -4.062 1.00 22.34 C ATOM 387 C ARG A 39 16.641 7.789 -4.198 1.00 22.42 C ATOM 388 O ARG A 39 17.358 6.852 -4.621 1.00 23.30 O ATOM 389 CB ARG A 39 17.642 9.492 -2.626 1.00 24.66 C ATOM 390 CG ARG A 39 18.757 8.582 -2.131 1.00 28.56 C ATOM 391 CD ARG A 39 18.757 8.449 -0.611 1.00 33.52 C ATOM 392 NE ARG A 39 17.388 8.275 -0.105 1.00 39.18 N ATOM 393 CZ ARG A 39 16.735 7.113 -0.037 1.00 42.59 C ATOM 394 NH1 ARG A 39 17.311 5.977 -0.445 1.00 48.78 N ATOM 395 NH2 ARG A 39 15.497 7.084 0.435 1.00 41.82 N ATOM 396 HE ARG A 39 16.889 9.125 0.226 1.00 0.00 H ATOM 397 HH12 ARG A 39 16.790 5.079 -0.386 1.00 0.00 H ATOM 398 HH11 ARG A 39 18.280 5.991 -0.821 1.00 0.00 H ATOM 399 HH22 ARG A 39 14.983 6.182 0.491 1.00 0.00 H ATOM 400 HH21 ARG A 39 15.040 7.963 0.750 1.00 0.00 H ATOM 401 H ARG A 39 16.155 11.064 -3.950 1.00 0.00 H ATOM 402 N HIS A 40 15.356 7.607 -3.921 1.00 22.27 N ATOM 403 CA HIS A 40 14.809 6.215 -3.921 1.00 22.47 C ATOM 404 C HIS A 40 14.621 5.630 -5.295 1.00 24.70 C ATOM 405 O HIS A 40 14.223 4.449 -5.444 1.00 24.99 O ATOM 406 CB HIS A 40 13.522 6.070 -3.113 1.00 23.93 C ATOM 407 CG HIS A 40 12.340 6.798 -3.663 1.00 22.22 C ATOM 408 ND1 HIS A 40 12.062 8.127 -3.352 1.00 25.39 N ATOM 409 CD2 HIS A 40 11.343 6.382 -4.466 1.00 21.84 C ATOM 410 CE1 HIS A 40 10.964 8.502 -3.974 1.00 22.52 C ATOM 411 NE2 HIS A 40 10.482 7.445 -4.628 1.00 23.10 N ATOM 412 H HIS A 40 14.740 8.418 -3.708 1.00 0.00 H ATOM 413 N SER A 41 14.912 6.430 -6.329 1.00 24.40 N ATOM 414 CA SER A 41 15.020 5.883 -7.677 1.00 21.78 C ATOM 415 C SER A 41 16.211 4.912 -7.780 1.00 25.83 C ATOM 416 O SER A 41 16.206 4.014 -8.597 1.00 23.35 O ATOM 417 CB SER A 41 15.072 7.007 -8.723 1.00 23.69 C ATOM 418 OG SER A 41 16.315 7.637 -8.799 1.00 20.74 O ATOM 419 HG SER A 41 16.535 8.037 -7.921 1.00 0.00 H ATOM 420 H SER A 41 15.062 7.447 -6.170 1.00 0.00 H ATOM 421 N GLN A 42 17.237 5.110 -6.972 1.00 25.07 N ATOM 422 CA GLN A 42 18.382 4.192 -6.915 1.00 26.76 C ATOM 423 C GLN A 42 19.029 3.909 -8.275 1.00 28.29 C ATOM 424 O GLN A 42 19.182 2.763 -8.666 1.00 29.12 O ATOM 425 CB GLN A 42 17.976 2.875 -6.236 1.00 28.10 C ATOM 426 CG GLN A 42 17.599 3.103 -4.774 1.00 32.62 C ATOM 427 CD GLN A 42 16.872 1.937 -4.145 1.00 37.23 C ATOM 428 OE1 GLN A 42 17.292 0.780 -4.264 1.00 41.71 O ATOM 429 NE2 GLN A 42 15.770 2.233 -3.460 1.00 41.67 N ATOM 430 HE22 GLN A 42 15.453 3.221 -3.386 1.00 0.00 H ATOM 431 HE21 GLN A 42 15.226 1.476 -2.999 1.00 0.00 H ATOM 432 H GLN A 42 17.234 5.946 -6.354 1.00 0.00 H ATOM 433 N PRO A 43 19.404 4.981 -8.997 1.00 28.10 N ATOM 434 CA PRO A 43 20.037 4.834 -10.292 1.00 30.10 C ATOM 435 C PRO A 43 21.322 4.015 -10.181 1.00 29.76 C ATOM 436 O PRO A 43 22.089 4.194 -9.243 1.00 27.30 O ATOM 437 CB PRO A 43 20.370 6.254 -10.678 1.00 28.52 C ATOM 438 CG PRO A 43 20.540 6.957 -9.409 1.00 31.79 C ATOM 439 CD PRO A 43 19.577 6.330 -8.450 1.00 30.14 C ATOM 440 N GLY A 44 21.554 3.127 -11.139 1.00 33.39 N ATOM 441 CA GLY A 44 22.767 2.282 -11.123 1.00 30.94 C ATOM 442 C GLY A 44 23.862 2.842 -11.974 1.00 28.98 C ATOM 443 O GLY A 44 24.094 4.063 -11.965 1.00 25.68 O ATOM 444 H GLY A 44 20.870 3.023 -11.916 1.00 0.00 H ATOM 445 N LYS A 45 24.553 1.984 -12.728 1.00 29.13 N ATOM 446 CA LYS A 45 25.673 2.471 -13.556 1.00 30.27 C ATOM 447 C LYS A 45 25.138 3.046 -14.839 1.00 23.54 C ATOM 448 O LYS A 45 25.813 3.754 -15.549 1.00 23.52 O ATOM 449 CB LYS A 45 26.668 1.369 -13.887 1.00 36.74 C ATOM 450 CG LYS A 45 27.338 0.718 -12.671 1.00 44.42 C ATOM 451 CD LYS A 45 27.828 1.739 -11.665 1.00 50.91 C ATOM 452 CE LYS A 45 28.928 1.133 -10.783 1.00 54.79 C ATOM 453 NZ LYS A 45 29.056 1.856 -9.494 1.00 56.97 N ATOM 454 HZ1 LYS A 45 29.294 2.851 -9.678 1.00 0.00 H ATOM 455 HZ2 LYS A 45 28.155 1.804 -8.978 1.00 0.00 H ATOM 456 HZ3 LYS A 45 29.809 1.418 -8.925 1.00 0.00 H ATOM 457 H LYS A 45 24.302 0.975 -12.732 1.00 0.00 H ATOM 458 N THR A 46 23.918 2.680 -15.163 1.00 24.26 N ATOM 459 CA THR A 46 23.273 3.116 -16.396 1.00 21.63 C ATOM 460 C THR A 46 21.856 3.402 -16.073 1.00 19.09 C ATOM 461 O THR A 46 21.349 2.919 -15.102 1.00 19.37 O ATOM 462 CB THR A 46 23.302 2.042 -17.503 1.00 25.26 C ATOM 463 OG1 THR A 46 22.521 0.906 -17.112 1.00 23.68 O ATOM 464 CG2 THR A 46 24.716 1.629 -17.792 1.00 24.87 C ATOM 465 HG1 THR A 46 21.585 1.188 -16.958 1.00 0.00 H ATOM 466 H THR A 46 23.394 2.057 -14.516 1.00 0.00 H ATOM 467 N ILE A 47 21.269 4.332 -16.819 1.00 18.99 N ATOM 468 CA ILE A 47 19.869 4.650 -16.667 1.00 18.38 C ATOM 469 C ILE A 47 19.248 4.811 -18.037 1.00 16.37 C ATOM 470 O ILE A 47 19.892 5.243 -19.000 1.00 18.37 O ATOM 471 CB ILE A 47 19.714 5.929 -15.819 1.00 19.04 C ATOM 472 CG1 ILE A 47 18.255 6.302 -15.586 1.00 19.43 C ATOM 473 CG2 ILE A 47 20.396 7.092 -16.495 1.00 19.33 C ATOM 474 CD1 ILE A 47 18.049 7.329 -14.519 1.00 19.58 C ATOM 475 H ILE A 47 21.831 4.843 -17.529 1.00 0.00 H ATOM 476 N TRP A 48 18.010 4.402 -18.168 1.00 17.45 N ATOM 477 CA TRP A 48 17.299 4.501 -19.423 1.00 20.13 C ATOM 478 C TRP A 48 16.689 5.897 -19.479 1.00 20.30 C ATOM 479 O TRP A 48 15.897 6.246 -18.628 1.00 21.35 O ATOM 480 CB TRP A 48 16.172 3.475 -19.484 1.00 20.01 C ATOM 481 CG TRP A 48 15.336 3.544 -20.749 1.00 21.64 C ATOM 482 CD1 TRP A 48 14.103 4.117 -20.881 1.00 23.09 C ATOM 483 CD2 TRP A 48 15.673 3.026 -22.041 1.00 23.82 C ATOM 484 NE1 TRP A 48 13.645 3.984 -22.187 1.00 24.71 N ATOM 485 CE2 TRP A 48 14.605 3.352 -22.924 1.00 25.20 C ATOM 486 CE3 TRP A 48 16.784 2.364 -22.556 1.00 25.39 C ATOM 487 CZ2 TRP A 48 14.605 3.003 -24.286 1.00 26.84 C ATOM 488 CZ3 TRP A 48 16.775 2.003 -23.941 1.00 25.53 C ATOM 489 CH2 TRP A 48 15.689 2.327 -24.770 1.00 24.94 C ATOM 490 HE1 TRP A 48 12.724 4.311 -22.543 1.00 0.00 H ATOM 491 H TRP A 48 17.524 3.994 -17.344 1.00 0.00 H ATOM 492 N ILE A 49 17.061 6.676 -20.455 1.00 18.87 N ATOM 493 CA ILE A 49 16.495 8.012 -20.637 1.00 20.83 C ATOM 494 C ILE A 49 15.823 8.131 -22.008 1.00 21.63 C ATOM 495 O ILE A 49 16.474 8.085 -23.054 1.00 23.75 O ATOM 496 CB ILE A 49 17.542 9.130 -20.504 1.00 19.64 C ATOM 497 CG1 ILE A 49 18.232 9.032 -19.154 1.00 21.17 C ATOM 498 CG2 ILE A 49 16.900 10.490 -20.681 1.00 20.40 C ATOM 499 CD1 ILE A 49 19.494 9.841 -19.067 1.00 20.44 C ATOM 500 H ILE A 49 17.782 6.338 -21.124 1.00 0.00 H ATOM 501 N GLU A 50 14.495 8.236 -21.952 1.00 23.60 N ATOM 502 CA GLU A 50 13.579 8.401 -23.100 1.00 26.61 C ATOM 503 C GLU A 50 13.622 7.235 -24.058 1.00 28.03 C ATOM 504 O GLU A 50 12.687 6.458 -24.125 1.00 30.46 O ATOM 505 CB GLU A 50 13.860 9.713 -23.872 1.00 28.43 C ATOM 506 CG GLU A 50 13.703 10.972 -23.040 1.00 32.80 C ATOM 507 CD GLU A 50 12.252 11.419 -22.871 1.00 34.91 C ATOM 508 OE1 GLU A 50 11.361 10.816 -23.542 1.00 34.89 O ATOM 509 OE2 GLU A 50 12.017 12.400 -22.086 1.00 27.31 O ATOM 510 H GLU A 50 14.061 8.198 -21.008 1.00 0.00 H ATOM 511 N HIS A 51 14.688 7.171 -24.855 1.00 30.58 N ATOM 512 CA HIS A 51 14.798 6.112 -25.869 1.00 34.13 C ATOM 513 C HIS A 51 16.122 5.353 -25.852 1.00 31.50 C ATOM 514 O HIS A 51 16.369 4.525 -26.701 1.00 29.12 O ATOM 515 CB HIS A 51 14.556 6.702 -27.258 1.00 42.11 C ATOM 516 CG HIS A 51 13.126 7.060 -27.504 1.00 56.40 C ATOM 517 ND1 HIS A 51 12.578 8.263 -27.104 1.00 63.99 N ATOM 518 CD2 HIS A 51 12.121 6.371 -28.098 1.00 67.77 C ATOM 519 CE1 HIS A 51 11.298 8.300 -27.432 1.00 66.52 C ATOM 520 NE2 HIS A 51 10.996 7.165 -28.040 1.00 73.55 N ATOM 521 H HIS A 51 15.447 7.875 -24.759 1.00 0.00 H ATOM 522 N LYS A 52 16.987 5.621 -24.888 1.00 28.21 N ATOM 523 CA LYS A 52 18.266 4.947 -24.892 1.00 30.07 C ATOM 524 C LYS A 52 18.919 4.846 -23.540 1.00 27.61 C ATOM 525 O LYS A 52 18.597 5.593 -22.631 1.00 24.21 O ATOM 526 CB LYS A 52 19.215 5.617 -25.891 1.00 33.57 C ATOM 527 CG LYS A 52 19.961 6.820 -25.395 1.00 35.98 C ATOM 528 CD LYS A 52 21.122 7.079 -26.342 1.00 42.47 C ATOM 529 CE LYS A 52 21.727 8.453 -26.153 1.00 47.95 C ATOM 530 NZ LYS A 52 21.823 9.148 -27.481 1.00 52.80 N ATOM 531 HZ1 LYS A 52 22.424 8.590 -28.120 1.00 0.00 H ATOM 532 HZ2 LYS A 52 20.872 9.242 -27.891 1.00 0.00 H ATOM 533 HZ3 LYS A 52 22.239 10.092 -27.348 1.00 0.00 H ATOM 534 H LYS A 52 16.751 6.304 -24.140 1.00 0.00 H ATOM 535 N LEU A 53 19.843 3.891 -23.422 1.00 24.50 N ATOM 536 CA LEU A 53 20.497 3.616 -22.165 1.00 23.83 C ATOM 537 C LEU A 53 21.684 4.549 -22.019 1.00 22.39 C ATOM 538 O LEU A 53 22.481 4.713 -22.930 1.00 22.34 O ATOM 539 CB LEU A 53 20.945 2.194 -22.097 1.00 26.45 C ATOM 540 CG LEU A 53 21.248 1.626 -20.722 1.00 28.18 C ATOM 541 CD1 LEU A 53 20.033 1.576 -19.776 1.00 28.80 C ATOM 542 CD2 LEU A 53 21.815 0.226 -20.964 1.00 32.32 C ATOM 543 H LEU A 53 20.099 3.329 -24.259 1.00 0.00 H ATOM 544 N VAL A 54 21.740 5.255 -20.908 1.00 21.16 N ATOM 545 CA VAL A 54 22.782 6.282 -20.782 1.00 21.40 C ATOM 546 C VAL A 54 23.676 5.901 -19.599 1.00 20.98 C ATOM 547 O VAL A 54 23.186 5.490 -18.572 1.00 24.29 O ATOM 548 CB VAL A 54 22.180 7.702 -20.682 1.00 21.23 C ATOM 549 CG1 VAL A 54 23.307 8.715 -20.575 1.00 22.36 C ATOM 550 CG2 VAL A 54 21.305 7.975 -21.918 1.00 23.68 C ATOM 551 H VAL A 54 21.061 5.089 -20.138 1.00 0.00 H ATOM 552 N ASN A 55 24.978 6.034 -19.761 1.00 21.88 N ATOM 553 CA ASN A 55 25.922 5.701 -18.674 1.00 23.69 C ATOM 554 C ASN A 55 25.984 6.824 -17.622 1.00 20.67 C ATOM 555 O ASN A 55 26.047 7.981 -17.957 1.00 18.97 O ATOM 556 CB ASN A 55 27.312 5.465 -19.268 1.00 27.88 C ATOM 557 CG ASN A 55 28.414 5.201 -18.209 1.00 34.59 C ATOM 558 OD1 ASN A 55 28.176 5.102 -16.997 1.00 47.11 O ATOM 559 ND2 ASN A 55 29.650 5.095 -18.691 1.00 43.59 N ATOM 560 HD22 ASN A 55 29.819 5.183 -19.713 1.00 0.00 H ATOM 561 HD21 ASN A 55 30.447 4.925 -18.045 1.00 0.00 H ATOM 562 H ASN A 55 25.347 6.379 -20.670 1.00 0.00 H ATOM 563 N ILE A 56 25.952 6.461 -16.357 1.00 18.74 N ATOM 564 CA ILE A 56 26.083 7.419 -15.297 1.00 20.02 C ATOM 565 C ILE A 56 27.558 7.438 -14.876 1.00 22.24 C ATOM 566 O ILE A 56 28.117 6.405 -14.437 1.00 22.84 O ATOM 567 CB ILE A 56 25.151 7.080 -14.119 1.00 20.34 C ATOM 568 CG1 ILE A 56 23.724 7.377 -14.517 1.00 18.47 C ATOM 569 CG2 ILE A 56 25.483 7.888 -12.848 1.00 20.15 C ATOM 570 CD1 ILE A 56 22.740 6.686 -13.624 1.00 19.35 C ATOM 571 H ILE A 56 25.829 5.456 -16.120 1.00 0.00 H ATOM 572 N LEU A 57 28.197 8.591 -15.049 1.00 20.66 N ATOM 573 CA LEU A 57 29.583 8.754 -14.630 1.00 25.26 C ATOM 574 C LEU A 57 29.754 8.942 -13.115 1.00 29.21 C ATOM 575 O LEU A 57 30.713 8.483 -12.554 1.00 33.39 O ATOM 576 CB LEU A 57 30.187 9.962 -15.359 1.00 26.03 C ATOM 577 CG LEU A 57 30.199 9.838 -16.846 1.00 24.99 C ATOM 578 CD1 LEU A 57 30.724 11.118 -17.450 1.00 25.01 C ATOM 579 CD2 LEU A 57 31.064 8.646 -17.176 1.00 27.56 C ATOM 580 H LEU A 57 27.699 9.390 -15.491 1.00 0.00 H ATOM 581 N ASP A 58 28.836 9.626 -12.451 1.00 31.85 N ATOM 582 CA ASP A 58 28.903 9.832 -11.001 1.00 32.09 C ATOM 583 C ASP A 58 27.517 10.067 -10.406 1.00 29.97 C ATOM 584 O ASP A 58 26.632 10.652 -11.038 1.00 25.70 O ATOM 585 CB ASP A 58 29.770 11.057 -10.705 1.00 40.71 C ATOM 586 CG ASP A 58 28.975 12.349 -10.661 1.00 52.76 C ATOM 587 OD1 ASP A 58 28.240 12.587 -9.662 1.00 61.54 O ATOM 588 OD2 ASP A 58 29.090 13.144 -11.623 1.00 59.03 O ATOM 589 H ASP A 58 28.037 10.033 -12.978 1.00 0.00 H ATOM 590 N ALA A 59 27.328 9.627 -9.182 1.00 26.64 N ATOM 591 CA ALA A 59 26.104 9.855 -8.445 1.00 28.31 C ATOM 592 C ALA A 59 26.453 10.358 -7.040 1.00 34.55 C ATOM 593 O ALA A 59 27.320 9.805 -6.369 1.00 35.92 O ATOM 594 CB ALA A 59 25.272 8.603 -8.358 1.00 27.68 C ATOM 595 H ALA A 59 28.092 9.091 -8.723 1.00 0.00 H ATOM 596 N VAL A 60 25.779 11.403 -6.608 1.00 29.55 N ATOM 597 CA VAL A 60 26.007 11.961 -5.306 1.00 29.90 C ATOM 598 C VAL A 60 24.663 12.050 -4.587 1.00 29.64 C ATOM 599 O VAL A 60 23.774 12.850 -4.992 1.00 24.46 O ATOM 600 CB VAL A 60 26.606 13.357 -5.437 1.00 31.05 C ATOM 601 CG1 VAL A 60 26.523 14.113 -4.118 1.00 33.73 C ATOM 602 CG2 VAL A 60 28.041 13.282 -5.960 1.00 33.63 C ATOM 603 H VAL A 60 25.063 11.835 -7.226 1.00 0.00 H ATOM 604 N GLU A 61 24.506 11.264 -3.520 1.00 24.35 N ATOM 605 CA GLU A 61 23.304 11.318 -2.693 1.00 29.05 C ATOM 606 C GLU A 61 23.406 12.478 -1.667 1.00 29.97 C ATOM 607 O GLU A 61 24.286 12.486 -0.789 1.00 32.76 O ATOM 608 CB GLU A 61 23.043 9.946 -2.012 1.00 35.95 C ATOM 609 CG GLU A 61 22.836 8.826 -3.056 1.00 38.85 C ATOM 610 CD GLU A 61 22.594 7.412 -2.500 1.00 45.98 C ATOM 611 OE1 GLU A 61 22.586 7.184 -1.262 1.00 48.74 O ATOM 612 OE2 GLU A 61 22.436 6.505 -3.345 1.00 46.96 O ATOM 613 H GLU A 61 25.261 10.594 -3.270 1.00 0.00 H ATOM 614 N LEU A 62 22.535 13.463 -1.774 1.00 26.12 N ATOM 615 CA LEU A 62 22.675 14.693 -0.944 1.00 27.72 C ATOM 616 C LEU A 62 22.204 14.505 0.511 1.00 26.47 C ATOM 617 O LEU A 62 21.123 14.048 0.757 1.00 25.41 O ATOM 618 CB LEU A 62 21.869 15.856 -1.526 1.00 26.88 C ATOM 619 CG LEU A 62 22.383 16.429 -2.832 1.00 30.88 C ATOM 620 CD1 LEU A 62 21.421 17.455 -3.420 1.00 32.35 C ATOM 621 CD2 LEU A 62 23.740 17.066 -2.587 1.00 34.56 C ATOM 622 H LEU A 62 21.743 13.381 -2.444 1.00 0.00 H ATOM 623 N VAL A 63 23.030 14.921 1.465 1.00 26.82 N ATOM 624 CA VAL A 63 22.637 14.932 2.871 1.00 28.53 C ATOM 625 C VAL A 63 22.902 16.314 3.460 1.00 27.37 C ATOM 626 O VAL A 63 23.759 17.062 2.950 1.00 28.68 O ATOM 627 CB VAL A 63 23.448 13.886 3.671 1.00 31.87 C ATOM 628 CG1 VAL A 63 23.285 12.508 3.044 1.00 34.42 C ATOM 629 CG2 VAL A 63 24.929 14.288 3.745 1.00 32.91 C ATOM 630 H VAL A 63 23.982 15.248 1.203 1.00 0.00 H ATOM 631 N ASP A 64 22.193 16.658 4.520 1.00 28.53 N ATOM 632 CA ASP A 64 22.476 17.936 5.203 1.00 33.09 C ATOM 633 C ASP A 64 23.628 17.792 6.214 1.00 33.03 C ATOM 634 O ASP A 64 24.244 16.723 6.325 1.00 33.39 O ATOM 635 CB ASP A 64 21.221 18.535 5.853 1.00 35.62 C ATOM 636 CG ASP A 64 20.790 17.806 7.118 1.00 38.28 C ATOM 637 OD1 ASP A 64 21.453 16.821 7.497 1.00 39.24 O ATOM 638 OD2 ASP A 64 19.790 18.247 7.732 1.00 45.11 O ATOM 639 H ASP A 64 21.440 16.033 4.871 1.00 0.00 H ATOM 640 N GLU A 65 23.906 18.869 6.942 1.00 34.97 N ATOM 641 CA GLU A 65 25.034 18.894 7.879 1.00 37.39 C ATOM 642 C GLU A 65 24.843 17.880 8.997 1.00 35.69 C ATOM 643 O GLU A 65 25.785 17.321 9.499 1.00 37.12 O ATOM 644 CB GLU A 65 25.208 20.299 8.472 1.00 41.53 C ATOM 645 CG GLU A 65 25.222 21.405 7.426 1.00 48.01 C ATOM 646 CD GLU A 65 23.890 21.517 6.676 1.00 57.16 C ATOM 647 OE1 GLU A 65 23.905 21.429 5.409 1.00 56.51 O ATOM 648 OE2 GLU A 65 22.827 21.658 7.361 1.00 58.64 O ATOM 649 H GLU A 65 23.309 19.715 6.845 1.00 0.00 H ATOM 650 N GLN A 66 23.612 17.676 9.422 1.00 38.54 N ATOM 651 CA GLN A 66 23.302 16.737 10.489 1.00 40.29 C ATOM 652 C GLN A 66 23.414 15.283 10.005 1.00 40.07 C ATOM 653 O GLN A 66 23.168 14.370 10.754 1.00 41.15 O ATOM 654 CB GLN A 66 21.881 17.000 10.993 1.00 46.30 C ATOM 655 CG GLN A 66 21.696 18.399 11.550 1.00 51.24 C ATOM 656 CD GLN A 66 20.237 18.781 11.736 1.00 59.17 C ATOM 657 OE1 GLN A 66 19.408 18.003 12.293 1.00 54.18 O ATOM 658 NE2 GLN A 66 19.902 20.007 11.277 1.00 53.82 N ATOM 659 HE22 GLN A 66 20.621 20.608 10.827 1.00 0.00 H ATOM 660 HE21 GLN A 66 18.925 20.350 11.374 1.00 0.00 H ATOM 661 H GLN A 66 22.834 18.205 8.979 1.00 0.00 H ATOM 662 N GLY A 67 23.734 15.089 8.730 1.00 41.09 N ATOM 663 CA GLY A 67 23.815 13.763 8.124 1.00 39.04 C ATOM 664 C GLY A 67 22.495 13.188 7.650 1.00 35.61 C ATOM 665 O GLY A 67 22.399 11.980 7.269 1.00 32.63 O ATOM 666 H GLY A 67 23.936 15.919 8.137 1.00 0.00 H ATOM 667 N VAL A 68 21.465 14.026 7.658 1.00 29.77 N ATOM 668 CA VAL A 68 20.158 13.567 7.367 1.00 29.47 C ATOM 669 C VAL A 68 19.954 13.599 5.822 1.00 32.55 C ATOM 670 O VAL A 68 20.457 14.475 5.127 1.00 26.24 O ATOM 671 CB VAL A 68 19.091 14.375 8.100 1.00 31.86 C ATOM 672 CG1 VAL A 68 17.697 13.822 7.766 1.00 31.37 C ATOM 673 CG2 VAL A 68 19.311 14.316 9.612 1.00 33.60 C ATOM 674 H VAL A 68 21.620 15.030 7.880 1.00 0.00 H ATOM 675 N ASN A 69 19.273 12.572 5.343 1.00 30.85 N ATOM 676 CA ASN A 69 18.851 12.437 3.952 1.00 30.33 C ATOM 677 C ASN A 69 18.138 13.654 3.369 1.00 26.21 C ATOM 678 O ASN A 69 17.182 14.147 3.950 1.00 26.74 O ATOM 679 CB ASN A 69 17.884 11.286 3.918 1.00 33.91 C ATOM 680 CG ASN A 69 17.352 11.026 2.554 1.00 33.95 C ATOM 681 OD1 ASN A 69 18.106 10.989 1.594 1.00 36.64 O ATOM 682 ND2 ASN A 69 16.050 10.880 2.446 1.00 33.32 N ATOM 683 HD22 ASN A 69 15.450 10.920 3.295 1.00 0.00 H ATOM 684 HD21 ASN A 69 15.620 10.725 1.512 1.00 0.00 H ATOM 685 H ASN A 69 19.021 11.808 6.002 1.00 0.00 H ATOM 686 N LEU A 70 18.573 14.163 2.205 1.00 26.61 N ATOM 687 CA LEU A 70 17.746 15.158 1.539 1.00 23.20 C ATOM 688 C LEU A 70 16.851 14.546 0.447 1.00 22.69 C ATOM 689 O LEU A 70 16.000 15.241 -0.132 1.00 22.17 O ATOM 690 CB LEU A 70 18.634 16.246 0.941 1.00 27.48 C ATOM 691 CG LEU A 70 19.464 16.999 1.993 1.00 30.29 C ATOM 692 CD1 LEU A 70 20.231 18.167 1.351 1.00 29.84 C ATOM 693 CD2 LEU A 70 18.549 17.521 3.079 1.00 32.91 C ATOM 694 H LEU A 70 19.476 13.855 1.791 1.00 0.00 H ATOM 695 N GLU A 71 17.057 13.274 0.154 1.00 23.65 N ATOM 696 CA GLU A 71 16.242 12.524 -0.819 1.00 23.80 C ATOM 697 C GLU A 71 16.491 12.943 -2.259 1.00 22.12 C ATOM 698 O GLU A 71 15.707 12.640 -3.160 1.00 22.79 O ATOM 699 CB GLU A 71 14.774 12.609 -0.478 1.00 26.04 C ATOM 700 CG GLU A 71 13.914 11.613 -1.243 1.00 29.06 C ATOM 701 CD GLU A 71 14.351 10.185 -1.028 1.00 34.94 C ATOM 702 OE1 GLU A 71 14.824 9.859 0.095 1.00 33.95 O ATOM 703 OE2 GLU A 71 14.191 9.371 -1.981 1.00 36.52 O ATOM 704 H GLU A 71 17.834 12.777 0.634 1.00 0.00 H ATOM 705 N LEU A 72 17.644 13.533 -2.513 1.00 23.11 N ATOM 706 CA LEU A 72 18.043 13.880 -3.910 1.00 22.51 C ATOM 707 C LEU A 72 19.327 13.240 -4.201 1.00 21.97 C ATOM 708 O LEU A 72 20.188 13.166 -3.363 1.00 21.92 O ATOM 709 CB LEU A 72 18.153 15.378 -4.079 1.00 24.10 C ATOM 710 CG LEU A 72 16.885 16.127 -3.786 1.00 23.08 C ATOM 711 CD1 LEU A 72 17.179 17.605 -3.648 1.00 27.42 C ATOM 712 CD2 LEU A 72 15.844 15.871 -4.824 1.00 26.96 C ATOM 713 H LEU A 72 18.286 13.760 -1.727 1.00 0.00 H ATOM 714 N THR A 73 19.465 12.754 -5.425 1.00 19.18 N ATOM 715 CA THR A 73 20.714 12.257 -5.943 1.00 19.53 C ATOM 716 C THR A 73 21.073 13.034 -7.195 1.00 18.99 C ATOM 717 O THR A 73 20.253 13.206 -8.096 1.00 17.36 O ATOM 718 CB THR A 73 20.631 10.771 -6.317 1.00 21.88 C ATOM 719 OG1 THR A 73 20.442 10.007 -5.136 1.00 25.06 O ATOM 720 CG2 THR A 73 21.886 10.306 -6.982 1.00 22.66 C ATOM 721 HG1 THR A 73 20.388 9.047 -5.371 1.00 0.00 H ATOM 722 H THR A 73 18.629 12.730 -6.044 1.00 0.00 H ATOM 723 N LEU A 74 22.285 13.514 -7.233 1.00 19.61 N ATOM 724 CA LEU A 74 22.791 14.274 -8.346 1.00 21.80 C ATOM 725 C LEU A 74 23.533 13.278 -9.189 1.00 20.81 C ATOM 726 O LEU A 74 24.445 12.629 -8.690 1.00 21.10 O ATOM 727 CB LEU A 74 23.741 15.375 -7.882 1.00 22.83 C ATOM 728 CG LEU A 74 23.158 16.760 -7.642 1.00 27.49 C ATOM 729 CD1 LEU A 74 21.821 16.756 -6.954 1.00 30.68 C ATOM 730 CD2 LEU A 74 24.147 17.543 -6.825 1.00 28.41 C ATOM 731 H LEU A 74 22.914 13.340 -6.423 1.00 0.00 H ATOM 732 N ILE A 75 23.136 13.114 -10.438 1.00 20.32 N ATOM 733 CA ILE A 75 23.874 12.302 -11.349 1.00 18.88 C ATOM 734 C ILE A 75 24.542 13.034 -12.476 1.00 18.26 C ATOM 735 O ILE A 75 24.000 13.932 -13.067 1.00 19.00 O ATOM 736 CB ILE A 75 23.047 11.117 -11.907 1.00 20.15 C ATOM 737 CG1 ILE A 75 21.969 11.591 -12.849 1.00 20.87 C ATOM 738 CG2 ILE A 75 22.481 10.262 -10.767 1.00 20.79 C ATOM 739 CD1 ILE A 75 21.057 10.471 -13.344 1.00 20.49 C ATOM 740 H ILE A 75 22.268 13.586 -10.763 1.00 0.00 H ATOM 741 N THR A 76 25.736 12.591 -12.806 1.00 18.04 N ATOM 742 CA THR A 76 26.473 13.082 -13.957 1.00 19.75 C ATOM 743 C THR A 76 26.430 12.074 -15.092 1.00 17.50 C ATOM 744 O THR A 76 26.803 10.940 -14.925 1.00 19.88 O ATOM 745 CB THR A 76 27.939 13.400 -13.589 1.00 22.07 C ATOM 746 OG1 THR A 76 27.922 14.500 -12.679 1.00 25.07 O ATOM 747 CG2 THR A 76 28.734 13.762 -14.789 1.00 24.74 C ATOM 748 HG1 THR A 76 28.850 14.729 -12.423 1.00 0.00 H ATOM 749 H THR A 76 26.172 11.855 -12.215 1.00 0.00 H ATOM 750 N LEU A 77 25.959 12.515 -16.246 1.00 18.97 N ATOM 751 CA LEU A 77 25.727 11.647 -17.384 1.00 21.12 C ATOM 752 C LEU A 77 26.792 11.678 -18.452 1.00 23.56 C ATOM 753 O LEU A 77 27.415 12.705 -18.709 1.00 25.82 O ATOM 754 CB LEU A 77 24.393 12.004 -18.036 1.00 21.66 C ATOM 755 CG LEU A 77 23.215 12.007 -17.072 1.00 23.75 C ATOM 756 CD1 LEU A 77 22.008 12.585 -17.802 1.00 25.20 C ATOM 757 CD2 LEU A 77 22.949 10.606 -16.611 1.00 23.70 C ATOM 758 H LEU A 77 25.746 13.528 -16.342 1.00 0.00 H ATOM 759 N ASP A 78 26.944 10.558 -19.148 1.00 22.91 N ATOM 760 CA ASP A 78 27.882 10.486 -20.256 1.00 25.21 C ATOM 761 C ASP A 78 27.127 10.784 -21.563 1.00 30.89 C ATOM 762 O ASP A 78 26.766 9.922 -22.376 1.00 26.01 O ATOM 763 CB ASP A 78 28.510 9.102 -20.294 1.00 29.43 C ATOM 764 CG ASP A 78 29.481 8.929 -21.428 1.00 32.06 C ATOM 765 OD1 ASP A 78 29.820 9.892 -22.167 1.00 29.02 O ATOM 766 OD2 ASP A 78 29.899 7.771 -21.552 1.00 32.81 O ATOM 767 H ASP A 78 26.383 9.719 -18.897 1.00 0.00 H ATOM 768 N THR A 79 26.806 12.032 -21.755 1.00 33.68 N ATOM 769 CA THR A 79 25.983 12.334 -22.879 1.00 36.13 C ATOM 770 C THR A 79 26.730 13.202 -23.786 1.00 34.26 C ATOM 771 O THR A 79 27.656 13.881 -23.351 1.00 36.10 O ATOM 772 CB THR A 79 24.736 13.109 -22.488 1.00 41.12 C ATOM 773 OG1 THR A 79 25.048 14.055 -21.456 1.00 41.19 O ATOM 774 CG2 THR A 79 23.744 12.154 -22.018 1.00 47.79 C ATOM 775 HG1 THR A 79 24.229 14.554 -21.209 1.00 0.00 H ATOM 776 H THR A 79 27.138 12.780 -21.113 1.00 0.00 H ATOM 777 N ASN A 80 26.278 13.245 -25.032 1.00 38.04 N ATOM 778 CA ASN A 80 26.939 14.060 -26.025 1.00 48.30 C ATOM 779 C ASN A 80 26.827 15.508 -25.724 1.00 49.23 C ATOM 780 O ASN A 80 27.822 16.230 -25.878 1.00 53.08 O ATOM 781 CB ASN A 80 26.403 13.791 -27.431 1.00 49.93 C ATOM 782 CG ASN A 80 26.891 12.473 -27.981 1.00 52.97 C ATOM 783 OD1 ASN A 80 26.140 11.497 -28.039 1.00 54.54 O ATOM 784 ND2 ASN A 80 28.164 12.424 -28.345 1.00 56.78 N ATOM 785 HD22 ASN A 80 28.757 13.275 -28.277 1.00 0.00 H ATOM 786 HD21 ASN A 80 28.570 11.534 -28.698 1.00 0.00 H ATOM 787 H ASN A 80 25.441 12.687 -25.296 1.00 0.00 H ATOM 788 N GLU A 81 25.629 15.947 -25.307 1.00 48.22 N ATOM 789 CA GLU A 81 25.406 17.381 -25.154 1.00 50.69 C ATOM 790 C GLU A 81 24.751 17.809 -23.815 1.00 47.64 C ATOM 791 O GLU A 81 24.331 17.010 -23.023 1.00 38.35 O ATOM 792 CB GLU A 81 24.622 17.933 -26.327 1.00 58.92 C ATOM 793 CG GLU A 81 25.273 19.140 -27.019 1.00 60.41 C ATOM 794 CD GLU A 81 26.050 18.738 -28.277 1.00 63.88 C ATOM 795 OE1 GLU A 81 26.330 19.618 -29.124 1.00 67.76 O ATOM 796 OE2 GLU A 81 26.362 17.549 -28.467 1.00 65.13 O ATOM 797 H GLU A 81 24.867 15.272 -25.095 1.00 0.00 H ATOM 798 N LYS A 82 24.755 19.122 -23.595 1.00 43.11 N ATOM 799 CA LYS A 82 24.506 19.736 -22.322 1.00 41.00 C ATOM 800 C LYS A 82 23.070 20.140 -22.212 1.00 34.78 C ATOM 801 O LYS A 82 22.514 20.665 -23.150 1.00 36.12 O ATOM 802 CB LYS A 82 25.363 20.992 -22.193 1.00 46.66 C ATOM 803 CG LYS A 82 26.833 20.735 -22.508 1.00 54.54 C ATOM 804 CD LYS A 82 27.516 22.021 -22.931 1.00 61.50 C ATOM 805 CE LYS A 82 28.915 22.153 -22.330 1.00 66.27 C ATOM 806 NZ LYS A 82 28.879 22.625 -20.912 1.00 67.06 N ATOM 807 HZ1 LYS A 82 28.420 23.557 -20.870 1.00 0.00 H ATOM 808 HZ2 LYS A 82 28.342 21.946 -20.335 1.00 0.00 H ATOM 809 HZ3 LYS A 82 29.850 22.699 -20.548 1.00 0.00 H ATOM 810 H LYS A 82 24.952 19.747 -24.403 1.00 0.00 H ATOM 811 N PHE A 83 22.481 19.948 -21.035 1.00 26.63 N ATOM 812 CA PHE A 83 21.135 20.468 -20.740 1.00 23.95 C ATOM 813 C PHE A 83 21.078 22.013 -20.764 1.00 23.30 C ATOM 814 O PHE A 83 22.001 22.667 -20.323 1.00 24.28 O ATOM 815 CB PHE A 83 20.673 20.100 -19.337 1.00 22.46 C ATOM 816 CG PHE A 83 20.513 18.625 -19.096 1.00 21.50 C ATOM 817 CD1 PHE A 83 19.530 17.890 -19.773 1.00 21.99 C ATOM 818 CD2 PHE A 83 21.336 17.982 -18.203 1.00 20.19 C ATOM 819 CE1 PHE A 83 19.362 16.544 -19.520 1.00 24.38 C ATOM 820 CE2 PHE A 83 21.188 16.649 -17.967 1.00 21.68 C ATOM 821 CZ PHE A 83 20.210 15.925 -18.644 1.00 23.88 C ATOM 822 H PHE A 83 22.987 19.414 -20.300 1.00 0.00 H ATOM 823 N ARG A 84 19.972 22.580 -21.213 1.00 21.76 N ATOM 824 CA ARG A 84 19.782 24.043 -21.051 1.00 21.76 C ATOM 825 C ARG A 84 19.946 24.409 -19.575 1.00 21.63 C ATOM 826 O ARG A 84 19.317 23.812 -18.719 1.00 21.40 O ATOM 827 CB ARG A 84 18.402 24.486 -21.504 1.00 21.72 C ATOM 828 CG ARG A 84 18.166 25.935 -21.130 1.00 24.57 C ATOM 829 CD ARG A 84 16.775 26.397 -21.287 1.00 28.07 C ATOM 830 NE ARG A 84 15.746 25.571 -20.628 1.00 28.17 N ATOM 831 CZ ARG A 84 14.534 26.029 -20.422 1.00 29.48 C ATOM 832 NH1 ARG A 84 14.233 27.286 -20.761 1.00 31.97 N ATOM 833 NH2 ARG A 84 13.632 25.269 -19.854 1.00 29.45 N ATOM 834 HE ARG A 84 15.986 24.607 -20.321 1.00 0.00 H ATOM 835 HH12 ARG A 84 13.273 27.653 -20.599 1.00 0.00 H ATOM 836 HH11 ARG A 84 14.958 27.898 -21.187 1.00 0.00 H ATOM 837 HH22 ARG A 84 12.672 25.634 -19.692 1.00 0.00 H ATOM 838 HH21 ARG A 84 13.876 24.300 -19.565 1.00 0.00 H ATOM 839 H ARG A 84 19.240 22.005 -21.677 1.00 0.00 H ATOM 840 N ASP A 85 20.803 25.371 -19.265 1.00 21.58 N ATOM 841 CA ASP A 85 21.122 25.673 -17.855 1.00 22.56 C ATOM 842 C ASP A 85 19.937 26.414 -17.231 1.00 21.66 C ATOM 843 O ASP A 85 19.617 27.510 -17.657 1.00 21.53 O ATOM 844 CB ASP A 85 22.424 26.472 -17.765 1.00 26.66 C ATOM 845 CG ASP A 85 22.846 26.822 -16.336 1.00 29.40 C ATOM 846 OD1 ASP A 85 22.063 26.726 -15.370 1.00 27.64 O ATOM 847 OD2 ASP A 85 24.049 27.164 -16.173 1.00 35.01 O ATOM 848 H ASP A 85 21.256 25.920 -20.023 1.00 0.00 H ATOM 849 N ILE A 86 19.276 25.798 -16.250 1.00 17.98 N ATOM 850 CA ILE A 86 18.154 26.375 -15.558 1.00 18.60 C ATOM 851 C ILE A 86 18.408 26.684 -14.094 1.00 18.53 C ATOM 852 O ILE A 86 17.469 26.974 -13.363 1.00 18.53 O ATOM 853 CB ILE A 86 16.911 25.468 -15.613 1.00 20.22 C ATOM 854 CG1 ILE A 86 17.256 24.110 -14.978 1.00 21.28 C ATOM 855 CG2 ILE A 86 16.481 25.313 -17.047 1.00 19.20 C ATOM 856 CD1 ILE A 86 16.028 23.315 -14.672 1.00 24.08 C ATOM 857 H ILE A 86 19.589 24.847 -15.969 1.00 0.00 H ATOM 858 N THR A 87 19.680 26.724 -13.684 1.00 18.77 N ATOM 859 CA THR A 87 20.023 27.064 -12.313 1.00 21.28 C ATOM 860 C THR A 87 19.530 28.466 -11.912 1.00 18.09 C ATOM 861 O THR A 87 19.165 28.682 -10.754 1.00 19.95 O ATOM 862 CB THR A 87 21.539 26.952 -12.072 1.00 23.48 C ATOM 863 OG1 THR A 87 22.265 27.669 -13.101 1.00 27.08 O ATOM 864 CG2 THR A 87 21.949 25.467 -12.066 1.00 25.78 C ATOM 865 HG1 THR A 87 22.048 27.283 -13.986 1.00 0.00 H ATOM 866 H THR A 87 20.440 26.507 -14.360 1.00 0.00 H ATOM 867 N LYS A 88 19.461 29.386 -12.866 1.00 19.53 N ATOM 868 CA LYS A 88 18.971 30.748 -12.556 1.00 21.37 C ATOM 869 C LYS A 88 17.535 30.746 -12.076 1.00 21.01 C ATOM 870 O LYS A 88 17.124 31.679 -11.398 1.00 18.08 O ATOM 871 CB LYS A 88 19.115 31.682 -13.762 1.00 24.24 C ATOM 872 CG LYS A 88 18.140 31.437 -14.901 1.00 26.58 C ATOM 873 CD LYS A 88 18.518 32.349 -16.044 1.00 32.32 C ATOM 874 CE LYS A 88 17.802 31.940 -17.302 1.00 36.73 C ATOM 875 NZ LYS A 88 18.676 32.368 -18.402 1.00 44.50 N ATOM 876 HZ1 LYS A 88 18.809 33.398 -18.356 1.00 0.00 H ATOM 877 HZ2 LYS A 88 19.598 31.894 -18.316 1.00 0.00 H ATOM 878 HZ3 LYS A 88 18.238 32.114 -19.310 1.00 0.00 H ATOM 879 H LYS A 88 19.753 29.149 -13.836 1.00 0.00 H ATOM 880 N PHE A 89 16.746 29.757 -12.507 1.00 18.65 N ATOM 881 CA PHE A 89 15.335 29.620 -12.100 1.00 19.90 C ATOM 882 C PHE A 89 15.167 28.913 -10.759 1.00 19.84 C ATOM 883 O PHE A 89 14.062 28.853 -10.232 1.00 20.79 O ATOM 884 CB PHE A 89 14.489 28.833 -13.107 1.00 22.59 C ATOM 885 CG PHE A 89 14.528 29.343 -14.519 1.00 24.27 C ATOM 886 CD1 PHE A 89 14.272 30.682 -14.807 1.00 27.89 C ATOM 887 CD2 PHE A 89 14.825 28.499 -15.546 1.00 26.27 C ATOM 888 CE1 PHE A 89 14.325 31.154 -16.101 1.00 23.33 C ATOM 889 CE2 PHE A 89 14.856 28.953 -16.854 1.00 25.63 C ATOM 890 CZ PHE A 89 14.617 30.285 -17.131 1.00 26.33 C ATOM 891 H PHE A 89 17.145 29.052 -13.159 1.00 0.00 H ATOM 892 N ILE A 90 16.231 28.358 -10.210 1.00 18.54 N ATOM 893 CA ILE A 90 16.180 27.712 -8.905 1.00 19.93 C ATOM 894 C ILE A 90 16.558 28.735 -7.827 1.00 21.17 C ATOM 895 O ILE A 90 17.631 29.326 -7.889 1.00 24.61 O ATOM 896 CB ILE A 90 17.190 26.591 -8.913 1.00 19.65 C ATOM 897 CG1 ILE A 90 16.840 25.551 -9.995 1.00 22.83 C ATOM 898 CG2 ILE A 90 17.250 25.916 -7.564 1.00 21.02 C ATOM 899 CD1 ILE A 90 17.826 24.374 -10.044 1.00 23.12 C ATOM 900 H ILE A 90 17.134 28.382 -10.725 1.00 0.00 H ATOM 901 N PRO A 91 15.722 28.933 -6.817 1.00 23.70 N ATOM 902 CA PRO A 91 16.102 29.957 -5.804 1.00 25.70 C ATOM 903 C PRO A 91 17.368 29.613 -4.995 1.00 28.64 C ATOM 904 O PRO A 91 17.817 28.451 -4.954 1.00 27.39 O ATOM 905 CB PRO A 91 14.861 30.045 -4.906 1.00 28.80 C ATOM 906 CG PRO A 91 14.172 28.735 -5.063 1.00 27.67 C ATOM 907 CD PRO A 91 14.499 28.209 -6.456 1.00 24.92 C ATOM 908 N GLU A 92 17.970 30.634 -4.410 1.00 29.59 N ATOM 909 CA GLU A 92 19.188 30.444 -3.620 1.00 33.57 C ATOM 910 C GLU A 92 18.903 29.738 -2.317 1.00 33.95 C ATOM 911 O GLU A 92 19.765 28.981 -1.858 1.00 33.93 O ATOM 912 CB GLU A 92 19.948 31.763 -3.398 1.00 34.82 C ATOM 913 CG GLU A 92 20.538 32.341 -4.671 1.00 43.95 C ATOM 914 CD GLU A 92 22.054 32.626 -4.596 1.00 55.16 C ATOM 915 OE1 GLU A 92 22.743 32.013 -3.748 1.00 63.67 O ATOM 916 OE2 GLU A 92 22.572 33.449 -5.406 1.00 58.81 O ATOM 917 H GLU A 92 17.571 31.589 -4.513 1.00 0.00 H ATOM 918 N ASN A 93 17.705 29.926 -1.742 1.00 35.22 N ATOM 919 CA ASN A 93 17.293 29.135 -0.593 1.00 34.98 C ATOM 920 C ASN A 93 15.950 28.469 -0.853 1.00 33.73 C ATOM 921 O ASN A 93 15.173 28.933 -1.700 1.00 28.40 O ATOM 922 CB ASN A 93 17.176 30.010 0.634 1.00 44.18 C ATOM 923 CG ASN A 93 16.181 31.145 0.451 1.00 48.93 C ATOM 924 OD1 ASN A 93 15.261 31.156 -0.422 1.00 52.07 O ATOM 925 ND2 ASN A 93 16.349 32.115 1.307 1.00 93.80 N ATOM 926 HD22 ASN A 93 17.117 32.064 2.006 1.00 0.00 H ATOM 927 HD21 ASN A 93 15.715 32.939 1.290 1.00 0.00 H ATOM 928 H ASN A 93 17.061 30.648 -2.124 1.00 0.00 H ATOM 929 N ILE A 94 15.650 27.428 -0.087 1.00 35.83 N ATOM 930 CA ILE A 94 14.432 26.700 -0.292 1.00 37.32 C ATOM 931 C ILE A 94 13.224 27.585 -0.056 1.00 40.79 C ATOM 932 O ILE A 94 13.063 28.190 0.998 1.00 41.94 O ATOM 933 CB ILE A 94 14.414 25.450 0.570 1.00 36.63 C ATOM 934 CG1 ILE A 94 15.283 24.406 -0.100 1.00 38.11 C ATOM 935 CG2 ILE A 94 13.014 24.890 0.665 1.00 39.33 C ATOM 936 CD1 ILE A 94 15.730 23.334 0.831 1.00 35.31 C ATOM 937 H ILE A 94 16.304 27.138 0.668 1.00 0.00 H ATOM 938 N SER A 95 12.364 27.631 -1.061 1.00 36.42 N ATOM 939 CA SER A 95 11.318 28.629 -1.151 1.00 36.20 C ATOM 940 C SER A 95 9.925 28.049 -1.369 1.00 39.57 C ATOM 941 O SER A 95 9.721 27.150 -2.179 1.00 37.68 O ATOM 942 CB SER A 95 11.594 29.582 -2.321 1.00 39.39 C ATOM 943 OG SER A 95 12.857 30.268 -2.173 1.00 42.48 O ATOM 944 HG SER A 95 13.590 29.603 -2.135 1.00 0.00 H ATOM 945 H SER A 95 12.442 26.921 -1.817 1.00 0.00 H ATOM 946 N THR A 96 8.953 28.645 -0.705 1.00 36.14 N ATOM 947 CA THR A 96 7.556 28.302 -0.882 1.00 37.41 C ATOM 948 C THR A 96 6.989 29.013 -2.078 1.00 35.89 C ATOM 949 O THR A 96 7.657 29.861 -2.682 1.00 36.00 O ATOM 950 CB THR A 96 6.768 28.782 0.337 1.00 36.94 C ATOM 951 OG1 THR A 96 6.767 30.212 0.351 1.00 36.25 O ATOM 952 CG2 THR A 96 7.422 28.275 1.573 1.00 36.35 C ATOM 953 HG1 THR A 96 6.259 30.533 1.138 1.00 0.00 H ATOM 954 H THR A 96 9.200 29.393 -0.026 1.00 0.00 H ATOM 955 N ALA A 97 5.745 28.683 -2.426 1.00 38.28 N ATOM 956 CA ALA A 97 5.045 29.351 -3.540 1.00 36.93 C ATOM 957 C ALA A 97 3.529 29.230 -3.506 1.00 35.77 C ATOM 958 O ALA A 97 2.970 28.428 -2.783 1.00 37.66 O ATOM 959 CB ALA A 97 5.562 28.822 -4.885 1.00 40.93 C ATOM 960 H ALA A 97 5.254 27.934 -1.897 1.00 0.00 H ATOM 961 N SER A 98 2.836 29.999 -4.330 1.00 40.20 N ATOM 962 CA SER A 98 1.366 29.871 -4.383 1.00 42.54 C ATOM 963 C SER A 98 0.941 29.250 -5.710 1.00 40.74 C ATOM 964 O SER A 98 1.592 29.440 -6.712 1.00 40.43 O ATOM 965 CB SER A 98 0.707 31.241 -4.250 1.00 46.33 C ATOM 966 OG SER A 98 1.150 31.913 -3.092 1.00 49.49 O ATOM 967 HG SER A 98 0.706 32.796 -3.034 1.00 0.00 H ATOM 968 H SER A 98 3.323 30.689 -4.936 1.00 0.00 H ATOM 969 N ASP A 99 -0.180 28.546 -5.763 1.00 40.36 N ATOM 970 CA ASP A 99 -0.658 28.095 -7.081 1.00 39.49 C ATOM 971 C ASP A 99 0.486 27.470 -7.906 1.00 31.92 C ATOM 972 O ASP A 99 0.710 27.868 -9.043 1.00 30.90 O ATOM 973 CB ASP A 99 -1.199 29.280 -7.905 1.00 47.55 C ATOM 974 CG ASP A 99 -2.463 29.883 -7.344 1.00 53.42 C ATOM 975 OD1 ASP A 99 -3.366 29.094 -6.977 1.00 57.03 O ATOM 976 OD2 ASP A 99 -2.574 31.147 -7.324 1.00 52.20 O ATOM 977 H ASP A 99 -0.708 28.318 -4.897 1.00 0.00 H ATOM 978 N ALA A 100 1.229 26.538 -7.303 1.00 29.81 N ATOM 979 CA ALA A 100 2.283 25.808 -8.005 1.00 27.39 C ATOM 980 C ALA A 100 1.692 24.733 -8.879 1.00 25.92 C ATOM 981 O ALA A 100 0.580 24.297 -8.668 1.00 24.99 O ATOM 982 CB ALA A 100 3.259 25.168 -7.019 1.00 25.48 C ATOM 983 H ALA A 100 1.052 26.325 -6.301 1.00 0.00 H ATOM 984 N THR A 101 2.517 24.267 -9.826 1.00 25.35 N ATOM 985 CA THR A 101 2.182 23.210 -10.718 1.00 27.38 C ATOM 986 C THR A 101 3.272 22.141 -10.656 1.00 27.10 C ATOM 987 O THR A 101 4.467 22.429 -10.597 1.00 23.92 O ATOM 988 CB THR A 101 2.037 23.725 -12.138 1.00 28.19 C ATOM 989 OG1 THR A 101 0.987 24.681 -12.185 1.00 29.39 O ATOM 990 CG2 THR A 101 1.620 22.617 -13.072 1.00 30.39 C ATOM 991 HG1 THR A 101 0.891 25.018 -13.111 1.00 0.00 H ATOM 992 H THR A 101 3.457 24.703 -9.914 1.00 0.00 H ATOM 993 N LEU A 102 2.839 20.902 -10.605 1.00 23.22 N ATOM 994 CA LEU A 102 3.768 19.817 -10.622 1.00 24.20 C ATOM 995 C LEU A 102 3.835 19.273 -12.032 1.00 24.41 C ATOM 996 O LEU A 102 2.815 18.858 -12.601 1.00 24.01 O ATOM 997 CB LEU A 102 3.269 18.785 -9.644 1.00 24.27 C ATOM 998 CG LEU A 102 3.989 17.483 -9.601 1.00 26.27 C ATOM 999 CD1 LEU A 102 5.453 17.692 -9.175 1.00 25.66 C ATOM 1000 CD2 LEU A 102 3.210 16.609 -8.652 1.00 25.03 C ATOM 1001 H LEU A 102 1.818 20.711 -10.552 1.00 0.00 H ATOM 1002 N VAL A 103 5.019 19.300 -12.615 1.00 22.52 N ATOM 1003 CA VAL A 103 5.206 18.840 -13.965 1.00 23.76 C ATOM 1004 C VAL A 103 5.848 17.407 -13.975 1.00 21.30 C ATOM 1005 O VAL A 103 6.974 17.192 -13.527 1.00 19.52 O ATOM 1006 CB VAL A 103 6.101 19.815 -14.728 1.00 26.47 C ATOM 1007 CG1 VAL A 103 6.464 19.255 -16.076 1.00 27.22 C ATOM 1008 CG2 VAL A 103 5.437 21.197 -14.874 1.00 27.86 C ATOM 1009 H VAL A 103 5.837 19.663 -12.085 1.00 0.00 H ATOM 1010 N ILE A 104 5.159 16.476 -14.598 1.00 19.77 N ATOM 1011 CA ILE A 104 5.547 15.080 -14.555 1.00 20.49 C ATOM 1012 C ILE A 104 5.785 14.618 -15.954 1.00 19.09 C ATOM 1013 O ILE A 104 5.079 15.008 -16.876 1.00 18.97 O ATOM 1014 CB ILE A 104 4.452 14.220 -13.941 1.00 22.69 C ATOM 1015 CG1 ILE A 104 4.343 14.495 -12.449 1.00 26.08 C ATOM 1016 CG2 ILE A 104 4.688 12.734 -14.169 1.00 22.67 C ATOM 1017 CD1 ILE A 104 2.882 14.467 -12.018 1.00 27.89 C ATOM 1018 H ILE A 104 4.312 16.749 -15.137 1.00 0.00 H ATOM 1019 N ASN A 105 6.813 13.786 -16.132 1.00 17.98 N ATOM 1020 CA ASN A 105 7.122 13.262 -17.438 1.00 15.04 C ATOM 1021 C ASN A 105 7.717 11.858 -17.310 1.00 16.01 C ATOM 1022 O ASN A 105 8.895 11.657 -17.054 1.00 13.38 O ATOM 1023 CB ASN A 105 8.035 14.176 -18.278 1.00 14.70 C ATOM 1024 CG ASN A 105 8.008 13.851 -19.718 1.00 16.28 C ATOM 1025 OD1 ASN A 105 7.027 13.228 -20.248 1.00 18.14 O ATOM 1026 ND2 ASN A 105 9.046 14.302 -20.439 1.00 19.11 N ATOM 1027 HD22 ASN A 105 9.826 14.805 -19.969 1.00 0.00 H ATOM 1028 HD21 ASN A 105 9.071 14.148 -21.467 1.00 0.00 H ATOM 1029 H ASN A 105 7.399 13.512 -15.317 1.00 0.00 H ATOM 1030 N THR A 106 6.853 10.885 -17.546 1.00 18.10 N ATOM 1031 CA THR A 106 7.205 9.481 -17.442 1.00 19.82 C ATOM 1032 C THR A 106 6.551 8.745 -18.605 1.00 21.47 C ATOM 1033 O THR A 106 5.587 9.235 -19.176 1.00 15.63 O ATOM 1034 CB THR A 106 6.614 9.001 -16.123 1.00 23.26 C ATOM 1035 OG1 THR A 106 7.611 8.999 -15.102 1.00 24.24 O ATOM 1036 CG2 THR A 106 5.960 7.787 -16.242 1.00 21.80 C ATOM 1037 HG1 THR A 106 7.211 8.685 -14.253 1.00 0.00 H ATOM 1038 H THR A 106 5.881 11.136 -17.817 1.00 0.00 H ATOM 1039 N GLU A 107 7.040 7.530 -18.911 1.00 20.10 N ATOM 1040 CA GLU A 107 6.432 6.789 -20.023 1.00 22.49 C ATOM 1041 C GLU A 107 4.987 6.556 -19.704 1.00 21.95 C ATOM 1042 O GLU A 107 4.155 6.574 -20.594 1.00 22.20 O ATOM 1043 CB GLU A 107 7.135 5.471 -20.262 1.00 24.64 C ATOM 1044 CG GLU A 107 6.545 4.719 -21.450 1.00 31.28 C ATOM 1045 CD GLU A 107 7.042 3.273 -21.526 1.00 37.52 C ATOM 1046 OE1 GLU A 107 8.198 3.032 -21.135 1.00 41.41 O ATOM 1047 OE2 GLU A 107 6.284 2.389 -21.998 1.00 42.26 O ATOM 1048 H GLU A 107 7.831 7.124 -18.372 1.00 0.00 H ATOM 1049 N HIS A 108 4.677 6.316 -18.451 1.00 21.56 N ATOM 1050 CA HIS A 108 3.288 6.085 -18.075 1.00 27.82 C ATOM 1051 C HIS A 108 2.444 7.339 -17.896 1.00 26.05 C ATOM 1052 O HIS A 108 1.242 7.279 -18.004 1.00 25.70 O ATOM 1053 CB HIS A 108 3.211 5.209 -16.817 1.00 31.24 C ATOM 1054 CG HIS A 108 3.729 3.825 -17.044 1.00 33.36 C ATOM 1055 ND1 HIS A 108 3.652 3.199 -18.280 1.00 41.35 N ATOM 1056 CD2 HIS A 108 4.360 2.958 -16.224 1.00 35.56 C ATOM 1057 CE1 HIS A 108 4.220 2.008 -18.208 1.00 38.24 C ATOM 1058 NE2 HIS A 108 4.659 1.837 -16.973 1.00 36.57 N ATOM 1059 H HIS A 108 5.423 6.291 -17.727 1.00 0.00 H ATOM 1060 N MET A 109 3.093 8.471 -17.642 1.00 24.50 N ATOM 1061 CA MET A 109 2.436 9.770 -17.377 1.00 22.51 C ATOM 1062 C MET A 109 3.200 10.845 -18.121 1.00 20.74 C ATOM 1063 O MET A 109 3.847 11.709 -17.546 1.00 19.39 O ATOM 1064 CB MET A 109 2.388 10.048 -15.891 1.00 25.60 C ATOM 1065 CG MET A 109 1.361 9.207 -15.136 1.00 30.98 C ATOM 1066 SD MET A 109 1.302 9.554 -13.348 1.00 38.18 S ATOM 1067 CE MET A 109 1.601 7.888 -12.771 1.00 43.00 C ATOM 1068 H MET A 109 4.132 8.442 -17.629 1.00 0.00 H ATOM 1069 N PRO A 110 3.127 10.800 -19.417 1.00 18.87 N ATOM 1070 CA PRO A 110 3.886 11.712 -20.237 1.00 20.27 C ATOM 1071 C PRO A 110 3.278 13.136 -20.227 1.00 21.07 C ATOM 1072 O PRO A 110 2.038 13.281 -20.314 1.00 22.41 O ATOM 1073 CB PRO A 110 3.765 11.107 -21.611 1.00 19.48 C ATOM 1074 CG PRO A 110 2.480 10.405 -21.598 1.00 19.34 C ATOM 1075 CD PRO A 110 2.321 9.878 -20.218 1.00 19.63 C ATOM 1076 N SER A 111 4.136 14.135 -20.097 1.00 20.90 N ATOM 1077 CA SER A 111 3.764 15.559 -20.172 1.00 22.61 C ATOM 1078 C SER A 111 2.519 15.921 -19.352 1.00 20.76 C ATOM 1079 O SER A 111 1.515 16.487 -19.858 1.00 20.47 O ATOM 1080 CB SER A 111 3.543 15.931 -21.609 1.00 23.71 C ATOM 1081 OG SER A 111 4.710 15.747 -22.354 1.00 28.77 O ATOM 1082 HG SER A 111 4.541 15.998 -23.297 1.00 0.00 H ATOM 1083 H SER A 111 5.136 13.900 -19.932 1.00 0.00 H ATOM 1084 N MET A 112 2.581 15.574 -18.094 1.00 20.55 N ATOM 1085 CA MET A 112 1.449 15.683 -17.205 1.00 23.86 C ATOM 1086 C MET A 112 1.602 16.897 -16.296 1.00 22.27 C ATOM 1087 O MET A 112 2.657 17.130 -15.676 1.00 23.34 O ATOM 1088 CB MET A 112 1.323 14.415 -16.373 1.00 22.87 C ATOM 1089 CG MET A 112 0.126 14.355 -15.454 1.00 24.12 C ATOM 1090 SD MET A 112 0.191 12.834 -14.468 1.00 24.78 S ATOM 1091 CE MET A 112 -1.429 12.871 -13.728 1.00 23.67 C ATOM 1092 H MET A 112 3.479 15.206 -17.719 1.00 0.00 H ATOM 1093 N PHE A 113 0.528 17.651 -16.206 1.00 23.74 N ATOM 1094 CA PHE A 113 0.468 18.878 -15.411 1.00 25.47 C ATOM 1095 C PHE A 113 -0.518 18.681 -14.303 1.00 23.97 C ATOM 1096 O PHE A 113 -1.688 18.446 -14.551 1.00 20.71 O ATOM 1097 CB PHE A 113 -0.030 20.035 -16.233 1.00 29.88 C ATOM 1098 CG PHE A 113 0.940 20.522 -17.227 1.00 35.13 C ATOM 1099 CD1 PHE A 113 1.349 21.810 -17.185 1.00 42.22 C ATOM 1100 CD2 PHE A 113 1.441 19.693 -18.226 1.00 43.28 C ATOM 1101 CE1 PHE A 113 2.257 22.288 -18.089 1.00 46.40 C ATOM 1102 CE2 PHE A 113 2.367 20.157 -19.128 1.00 47.17 C ATOM 1103 CZ PHE A 113 2.783 21.464 -19.056 1.00 45.84 C ATOM 1104 H PHE A 113 -0.323 17.360 -16.727 1.00 0.00 H ATOM 1105 N VAL A 114 -0.073 18.846 -13.075 1.00 23.30 N ATOM 1106 CA VAL A 114 -0.946 18.668 -11.931 1.00 24.98 C ATOM 1107 C VAL A 114 -0.949 19.943 -11.093 1.00 30.05 C ATOM 1108 O VAL A 114 0.092 20.397 -10.593 1.00 22.45 O ATOM 1109 CB VAL A 114 -0.442 17.522 -11.081 1.00 28.44 C ATOM 1110 CG1 VAL A 114 -1.360 17.291 -9.909 1.00 26.72 C ATOM 1111 CG2 VAL A 114 -0.330 16.272 -11.930 1.00 31.91 C ATOM 1112 H VAL A 114 0.922 19.109 -12.923 1.00 0.00 H ATOM 1113 N PRO A 115 -2.130 20.530 -10.911 1.00 33.52 N ATOM 1114 CA PRO A 115 -2.220 21.792 -10.195 1.00 33.68 C ATOM 1115 C PRO A 115 -2.228 21.577 -8.706 1.00 29.75 C ATOM 1116 O PRO A 115 -3.277 21.462 -8.110 1.00 37.28 O ATOM 1117 CB PRO A 115 -3.579 22.308 -10.660 1.00 38.22 C ATOM 1118 CG PRO A 115 -4.421 21.055 -10.754 1.00 36.81 C ATOM 1119 CD PRO A 115 -3.464 19.921 -11.096 1.00 35.54 C ATOM 1120 N VAL A 116 -1.070 21.507 -8.081 1.00 27.75 N ATOM 1121 CA VAL A 116 -1.003 21.158 -6.649 1.00 29.13 C ATOM 1122 C VAL A 116 -1.351 22.297 -5.685 1.00 30.62 C ATOM 1123 O VAL A 116 -1.526 22.082 -4.480 1.00 28.82 O ATOM 1124 CB VAL A 116 0.361 20.572 -6.228 1.00 28.27 C ATOM 1125 CG1 VAL A 116 0.633 19.271 -6.962 1.00 29.02 C ATOM 1126 CG2 VAL A 116 1.490 21.575 -6.463 1.00 28.68 C ATOM 1127 H VAL A 116 -0.192 21.700 -8.604 1.00 0.00 H ATOM 1128 N GLY A 117 -1.412 23.522 -6.180 1.00 34.23 N ATOM 1129 CA GLY A 117 -1.750 24.628 -5.284 1.00 33.90 C ATOM 1130 C GLY A 117 -0.572 25.221 -4.529 1.00 36.03 C ATOM 1131 O GLY A 117 0.567 25.129 -4.974 1.00 33.29 O ATOM 1132 H GLY A 117 -1.223 23.696 -7.188 1.00 0.00 H ATOM 1133 N ASP A 118 -0.869 25.876 -3.405 1.00 35.91 N ATOM 1134 CA ASP A 118 0.131 26.495 -2.542 1.00 36.38 C ATOM 1135 C ASP A 118 1.107 25.456 -2.024 1.00 33.18 C ATOM 1136 O ASP A 118 0.721 24.350 -1.668 1.00 33.92 O ATOM 1137 CB ASP A 118 -0.536 27.215 -1.352 1.00 39.48 C ATOM 1138 CG ASP A 118 -1.312 28.488 -1.765 1.00 44.28 C ATOM 1139 OD1 ASP A 118 -1.342 28.876 -2.962 1.00 42.27 O ATOM 1140 OD2 ASP A 118 -1.906 29.126 -0.852 1.00 45.98 O ATOM 1141 H ASP A 118 -1.869 25.949 -3.129 1.00 0.00 H ATOM 1142 N VAL A 119 2.386 25.818 -1.987 1.00 31.16 N ATOM 1143 CA VAL A 119 3.438 24.934 -1.508 1.00 30.23 C ATOM 1144 C VAL A 119 4.038 25.547 -0.299 1.00 29.25 C ATOM 1145 O VAL A 119 4.580 26.621 -0.399 1.00 36.00 O ATOM 1146 CB VAL A 119 4.567 24.756 -2.556 1.00 28.18 C ATOM 1147 CG1 VAL A 119 5.730 24.021 -1.940 1.00 27.42 C ATOM 1148 CG2 VAL A 119 4.015 24.000 -3.745 1.00 27.18 C ATOM 1149 H VAL A 119 2.645 26.771 -2.313 1.00 0.00 H ATOM 1150 N VAL A 120 3.993 24.857 0.827 1.00 31.95 N ATOM 1151 CA VAL A 120 4.381 25.468 2.083 1.00 33.57 C ATOM 1152 C VAL A 120 5.504 24.736 2.745 1.00 34.09 C ATOM 1153 O VAL A 120 5.733 23.575 2.472 1.00 31.95 O ATOM 1154 CB VAL A 120 3.199 25.496 3.062 1.00 35.41 C ATOM 1155 CG1 VAL A 120 1.965 26.167 2.449 1.00 33.77 C ATOM 1156 CG2 VAL A 120 2.893 24.100 3.534 1.00 35.70 C ATOM 1157 H VAL A 120 3.676 23.867 0.812 1.00 0.00 H ATOM 1158 N GLN A 121 6.201 25.405 3.651 1.00 37.44 N ATOM 1159 CA GLN A 121 7.360 24.801 4.313 1.00 37.63 C ATOM 1160 C GLN A 121 6.884 23.659 5.189 1.00 40.67 C ATOM 1161 O GLN A 121 5.858 23.770 5.865 1.00 43.80 O ATOM 1162 CB GLN A 121 8.133 25.817 5.174 1.00 38.16 C ATOM 1163 CG GLN A 121 8.536 27.088 4.475 1.00 39.43 C ATOM 1164 CD GLN A 121 9.782 26.959 3.578 1.00 45.69 C ATOM 1165 OE1 GLN A 121 10.234 25.853 3.232 1.00 42.17 O ATOM 1166 NE2 GLN A 121 10.346 28.107 3.205 1.00 46.34 N ATOM 1167 HE22 GLN A 121 9.938 29.012 3.515 1.00 0.00 H ATOM 1168 HE21 GLN A 121 11.194 28.098 2.604 1.00 0.00 H ATOM 1169 H GLN A 121 5.921 26.376 3.897 1.00 0.00 H ATOM 1170 N TYR A 122 7.595 22.544 5.151 1.00 39.33 N ATOM 1171 CA TYR A 122 7.203 21.414 5.947 1.00 39.15 C ATOM 1172 C TYR A 122 8.322 20.899 6.848 1.00 38.26 C ATOM 1173 O TYR A 122 8.072 20.455 7.970 1.00 43.75 O ATOM 1174 CB TYR A 122 6.667 20.283 5.062 1.00 38.19 C ATOM 1175 CG TYR A 122 5.800 19.313 5.827 1.00 36.64 C ATOM 1176 CD1 TYR A 122 4.463 19.598 6.056 1.00 40.36 C ATOM 1177 CD2 TYR A 122 6.317 18.119 6.313 1.00 36.57 C ATOM 1178 CE1 TYR A 122 3.658 18.721 6.755 1.00 38.84 C ATOM 1179 CE2 TYR A 122 5.522 17.236 7.022 1.00 35.31 C ATOM 1180 CZ TYR A 122 4.206 17.541 7.238 1.00 37.76 C ATOM 1181 OH TYR A 122 3.405 16.654 7.911 1.00 39.04 O ATOM 1182 HH TYR A 122 2.490 17.025 7.981 1.00 0.00 H ATOM 1183 H TYR A 122 8.438 22.485 4.545 1.00 0.00 H ATOM 1184 N GLY A 123 9.552 20.967 6.384 1.00 37.97 N ATOM 1185 CA GLY A 123 10.666 20.400 7.097 1.00 34.85 C ATOM 1186 C GLY A 123 10.752 18.896 7.131 1.00 38.03 C ATOM 1187 O GLY A 123 10.910 18.244 6.098 1.00 39.40 O ATOM 1188 H GLY A 123 9.724 21.444 5.476 1.00 0.00 H ATOM 1189 N PHE A 124 10.723 18.348 8.344 1.00 29.79 N ATOM 1190 CA PHE A 124 11.013 16.965 8.586 1.00 36.29 C ATOM 1191 C PHE A 124 9.971 16.066 7.998 1.00 35.32 C ATOM 1192 O PHE A 124 8.790 16.352 8.095 1.00 38.61 O ATOM 1193 CB PHE A 124 10.997 16.695 10.060 1.00 38.89 C ATOM 1194 CG PHE A 124 11.202 15.273 10.372 1.00 40.25 C ATOM 1195 CD1 PHE A 124 12.467 14.805 10.668 1.00 38.09 C ATOM 1196 CD2 PHE A 124 10.140 14.385 10.331 1.00 40.78 C ATOM 1197 CE1 PHE A 124 12.668 13.469 10.967 1.00 38.61 C ATOM 1198 CE2 PHE A 124 10.328 13.036 10.641 1.00 43.33 C ATOM 1199 CZ PHE A 124 11.598 12.580 10.947 1.00 42.34 C ATOM 1200 H PHE A 124 10.478 18.952 9.155 1.00 0.00 H ATOM 1201 N LEU A 125 10.392 14.987 7.364 1.00 39.16 N ATOM 1202 CA LEU A 125 9.418 14.032 6.855 1.00 39.28 C ATOM 1203 C LEU A 125 9.950 12.636 6.989 1.00 39.76 C ATOM 1204 O LEU A 125 11.115 12.392 6.746 1.00 36.35 O ATOM 1205 CB LEU A 125 9.075 14.341 5.410 1.00 40.96 C ATOM 1206 CG LEU A 125 7.993 13.492 4.741 1.00 41.67 C ATOM 1207 CD1 LEU A 125 6.578 13.837 5.229 1.00 40.94 C ATOM 1208 CD2 LEU A 125 8.103 13.617 3.212 1.00 43.03 C ATOM 1209 H LEU A 125 11.410 14.821 7.229 1.00 0.00 H ATOM 1210 N ASN A 126 9.113 11.713 7.418 1.00 46.81 N ATOM 1211 CA ASN A 126 9.553 10.328 7.421 1.00 59.48 C ATOM 1212 C ASN A 126 8.817 9.581 6.342 1.00 61.99 C ATOM 1213 O ASN A 126 7.619 9.341 6.457 1.00 65.15 O ATOM 1214 CB ASN A 126 9.344 9.637 8.760 1.00 64.47 C ATOM 1215 CG ASN A 126 10.005 8.263 8.793 1.00 72.56 C ATOM 1216 OD1 ASN A 126 9.778 7.436 7.914 1.00 78.10 O ATOM 1217 ND2 ASN A 126 10.850 8.025 9.787 1.00 76.58 N ATOM 1218 HD22 ASN A 126 11.016 8.751 10.513 1.00 0.00 H ATOM 1219 HD21 ASN A 126 11.346 7.113 9.840 1.00 0.00 H ATOM 1220 H ASN A 126 8.160 11.970 7.747 1.00 0.00 H ATOM 1221 N LEU A 127 9.526 9.214 5.286 1.00 65.97 N ATOM 1222 CA LEU A 127 8.880 8.488 4.220 1.00 72.81 C ATOM 1223 C LEU A 127 9.516 7.145 4.009 1.00 72.39 C ATOM 1224 O LEU A 127 10.729 7.046 3.868 1.00 61.58 O ATOM 1225 CB LEU A 127 8.797 9.308 2.927 1.00 77.18 C ATOM 1226 CG LEU A 127 7.412 9.979 2.800 1.00 82.15 C ATOM 1227 CD1 LEU A 127 6.837 9.904 1.399 1.00 81.42 C ATOM 1228 CD2 LEU A 127 6.417 9.353 3.789 1.00 82.41 C ATOM 1229 H LEU A 127 10.538 9.447 5.226 1.00 0.00 H ATOM 1230 N SER A 128 8.677 6.110 4.024 1.00 68.62 N ATOM 1231 CA SER A 128 9.129 4.719 3.841 1.00 72.22 C ATOM 1232 C SER A 128 10.249 4.345 4.805 1.00 73.03 C ATOM 1233 O SER A 128 11.202 3.639 4.439 1.00 72.13 O ATOM 1234 CB SER A 128 9.613 4.468 2.409 1.00 72.54 C ATOM 1235 OG SER A 128 8.592 4.691 1.465 1.00 71.29 O ATOM 1236 HG SER A 128 8.942 4.519 0.555 1.00 0.00 H ATOM 1237 H SER A 128 7.663 6.291 4.171 1.00 0.00 H ATOM 1238 N GLY A 129 10.153 4.850 6.030 1.00 70.22 N ATOM 1239 CA GLY A 129 11.131 4.527 7.084 1.00 67.49 C ATOM 1240 C GLY A 129 12.381 5.404 7.186 1.00 65.13 C ATOM 1241 O GLY A 129 13.134 5.295 8.156 1.00 69.42 O ATOM 1242 H GLY A 129 9.365 5.492 6.252 1.00 0.00 H ATOM 1243 N LYS A 130 12.597 6.264 6.185 1.00 60.73 N ATOM 1244 CA LYS A 130 13.779 7.126 6.062 1.00 53.75 C ATOM 1245 C LYS A 130 13.406 8.570 6.409 1.00 48.32 C ATOM 1246 O LYS A 130 12.427 9.123 5.899 1.00 40.62 O ATOM 1247 CB LYS A 130 14.309 7.072 4.642 1.00 58.30 C ATOM 1248 CG LYS A 130 15.664 7.708 4.429 1.00 61.40 C ATOM 1249 CD LYS A 130 16.691 6.657 3.991 1.00 65.63 C ATOM 1250 CE LYS A 130 17.911 7.283 3.321 1.00 69.65 C ATOM 1251 NZ LYS A 130 19.226 6.809 3.856 1.00 71.06 N ATOM 1252 HZ1 LYS A 130 19.288 7.035 4.869 1.00 0.00 H ATOM 1253 HZ2 LYS A 130 19.302 5.780 3.723 1.00 0.00 H ATOM 1254 HZ3 LYS A 130 19.998 7.284 3.346 1.00 0.00 H ATOM 1255 H LYS A 130 11.875 6.327 5.439 1.00 0.00 H ATOM 1256 N PRO A 131 14.147 9.155 7.331 1.00 42.67 N ATOM 1257 CA PRO A 131 13.911 10.464 7.893 1.00 39.05 C ATOM 1258 C PRO A 131 14.510 11.458 6.938 1.00 38.08 C ATOM 1259 O PRO A 131 15.578 11.208 6.431 1.00 35.57 O ATOM 1260 CB PRO A 131 14.723 10.432 9.173 1.00 41.18 C ATOM 1261 CG PRO A 131 15.733 9.367 8.944 1.00 42.36 C ATOM 1262 CD PRO A 131 15.059 8.347 8.147 1.00 41.93 C ATOM 1263 N THR A 132 13.814 12.547 6.669 1.00 37.26 N ATOM 1264 CA THR A 132 14.180 13.386 5.538 1.00 33.77 C ATOM 1265 C THR A 132 14.015 14.835 5.893 1.00 30.55 C ATOM 1266 O THR A 132 12.967 15.202 6.427 1.00 34.36 O ATOM 1267 CB THR A 132 13.280 13.082 4.329 1.00 29.95 C ATOM 1268 OG1 THR A 132 13.540 11.752 3.859 1.00 30.24 O ATOM 1269 CG2 THR A 132 13.559 14.081 3.174 1.00 31.10 C ATOM 1270 HG1 THR A 132 13.350 11.104 4.583 1.00 0.00 H ATOM 1271 H THR A 132 13.003 12.806 7.266 1.00 0.00 H ATOM 1272 N HIS A 133 15.015 15.672 5.582 1.00 26.51 N ATOM 1273 CA HIS A 133 14.885 17.097 5.840 1.00 25.50 C ATOM 1274 C HIS A 133 14.617 17.933 4.613 1.00 28.22 C ATOM 1275 O HIS A 133 14.754 17.472 3.488 1.00 22.92 O ATOM 1276 CB HIS A 133 16.123 17.645 6.469 1.00 28.92 C ATOM 1277 CG HIS A 133 16.261 17.272 7.892 1.00 34.77 C ATOM 1278 ND1 HIS A 133 17.397 17.546 8.628 1.00 37.79 N ATOM 1279 CD2 HIS A 133 15.395 16.663 8.735 1.00 35.71 C ATOM 1280 CE1 HIS A 133 17.227 17.098 9.862 1.00 39.77 C ATOM 1281 NE2 HIS A 133 16.026 16.552 9.948 1.00 40.23 N ATOM 1282 H HIS A 133 15.887 15.301 5.154 1.00 0.00 H ATOM 1283 N ARG A 134 14.254 19.185 4.880 1.00 27.60 N ATOM 1284 CA ARG A 134 14.121 20.229 3.883 1.00 28.79 C ATOM 1285 C ARG A 134 13.004 20.035 2.871 1.00 27.95 C ATOM 1286 O ARG A 134 13.142 20.442 1.715 1.00 23.94 O ATOM 1287 CB ARG A 134 15.456 20.462 3.176 1.00 28.59 C ATOM 1288 CG ARG A 134 16.595 20.844 4.118 1.00 26.89 C ATOM 1289 CD ARG A 134 17.749 21.482 3.381 1.00 30.10 C ATOM 1290 NE ARG A 134 18.982 21.567 4.181 1.00 31.99 N ATOM 1291 CZ ARG A 134 20.189 21.814 3.685 1.00 35.75 C ATOM 1292 NH1 ARG A 134 20.359 22.016 2.394 1.00 35.96 N ATOM 1293 NH2 ARG A 134 21.240 21.882 4.479 1.00 35.74 N ATOM 1294 HE ARG A 134 18.902 21.423 5.208 1.00 0.00 H ATOM 1295 HH12 ARG A 134 21.310 22.208 2.019 1.00 0.00 H ATOM 1296 HH11 ARG A 134 19.543 21.983 1.751 1.00 0.00 H ATOM 1297 HH22 ARG A 134 22.181 22.076 4.081 1.00 0.00 H ATOM 1298 HH21 ARG A 134 21.128 21.742 5.503 1.00 0.00 H ATOM 1299 H ARG A 134 14.052 19.431 5.870 1.00 0.00 H ATOM 1300 N THR A 135 11.900 19.437 3.314 1.00 25.50 N ATOM 1301 CA THR A 135 10.805 19.109 2.399 1.00 25.96 C ATOM 1302 C THR A 135 9.779 20.200 2.433 1.00 25.84 C ATOM 1303 O THR A 135 9.707 20.959 3.395 1.00 26.72 O ATOM 1304 CB THR A 135 10.143 17.752 2.746 1.00 27.01 C ATOM 1305 OG1 THR A 135 9.429 17.819 4.003 1.00 30.36 O ATOM 1306 CG2 THR A 135 11.187 16.670 2.828 1.00 23.87 C ATOM 1307 HG1 THR A 135 10.061 18.056 4.728 1.00 0.00 H ATOM 1308 H THR A 135 11.814 19.200 4.323 1.00 0.00 H ATOM 1309 N MET A 136 8.989 20.317 1.382 1.00 24.69 N ATOM 1310 CA MET A 136 7.836 21.180 1.401 1.00 26.75 C ATOM 1311 C MET A 136 6.593 20.358 1.088 1.00 26.07 C ATOM 1312 O MET A 136 6.690 19.206 0.659 1.00 24.65 O ATOM 1313 CB MET A 136 7.997 22.342 0.446 1.00 26.37 C ATOM 1314 CG MET A 136 9.131 23.302 0.826 1.00 30.71 C ATOM 1315 SD MET A 136 9.153 24.819 -0.173 1.00 35.15 S ATOM 1316 CE MET A 136 9.775 24.179 -1.745 1.00 35.17 C ATOM 1317 H MET A 136 9.204 19.774 0.521 1.00 0.00 H ATOM 1318 N MET A 137 5.417 20.949 1.301 1.00 27.80 N ATOM 1319 CA MET A 137 4.150 20.185 1.267 1.00 29.00 C ATOM 1320 C MET A 137 3.130 20.924 0.455 1.00 27.37 C ATOM 1321 O MET A 137 3.094 22.157 0.444 1.00 29.30 O ATOM 1322 CB MET A 137 3.662 19.982 2.737 1.00 35.62 C ATOM 1323 CG MET A 137 2.272 19.351 2.949 1.00 38.19 C ATOM 1324 SD MET A 137 0.818 20.314 2.439 1.00 48.67 S ATOM 1325 CE MET A 137 0.616 21.379 3.877 1.00 51.05 C ATOM 1326 H MET A 137 5.389 21.970 1.495 1.00 0.00 H ATOM 1327 N TYR A 138 2.291 20.176 -0.269 1.00 28.87 N ATOM 1328 CA TYR A 138 1.161 20.760 -1.011 1.00 27.90 C ATOM 1329 C TYR A 138 -0.077 19.899 -0.722 1.00 32.25 C ATOM 1330 O TYR A 138 0.011 18.656 -0.664 1.00 30.42 O ATOM 1331 CB TYR A 138 1.396 20.858 -2.526 1.00 28.03 C ATOM 1332 CG TYR A 138 2.489 19.972 -3.062 1.00 29.31 C ATOM 1333 CD1 TYR A 138 2.212 18.751 -3.651 1.00 25.50 C ATOM 1334 CD2 TYR A 138 3.827 20.382 -2.980 1.00 29.51 C ATOM 1335 CE1 TYR A 138 3.243 17.968 -4.140 1.00 27.08 C ATOM 1336 CE2 TYR A 138 4.859 19.589 -3.431 1.00 26.74 C ATOM 1337 CZ TYR A 138 4.553 18.391 -4.018 1.00 27.54 C ATOM 1338 OH TYR A 138 5.592 17.635 -4.476 1.00 27.82 O ATOM 1339 HH TYR A 138 6.195 17.413 -3.722 1.00 0.00 H ATOM 1340 H TYR A 138 2.441 19.148 -0.309 1.00 0.00 H ATOM 1341 N ASN A 139 -1.239 20.524 -0.563 1.00 33.60 N ATOM 1342 CA ASN A 139 -2.403 19.695 -0.175 1.00 34.29 C ATOM 1343 C ASN A 139 -3.111 19.204 -1.407 1.00 35.01 C ATOM 1344 O ASN A 139 -4.072 19.814 -1.892 1.00 32.69 O ATOM 1345 CB ASN A 139 -3.342 20.439 0.761 1.00 38.93 C ATOM 1346 CG ASN A 139 -2.730 20.686 2.140 1.00 38.00 C ATOM 1347 OD1 ASN A 139 -2.659 21.822 2.576 1.00 44.19 O ATOM 1348 ND2 ASN A 139 -2.282 19.637 2.823 1.00 36.06 N ATOM 1349 HD22 ASN A 139 -2.359 18.682 2.419 1.00 0.00 H ATOM 1350 HD21 ASN A 139 -1.854 19.772 3.761 1.00 0.00 H ATOM 1351 H ASN A 139 -1.327 21.551 -0.705 1.00 0.00 H ATOM 1352 N PHE A 140 -2.549 18.125 -1.959 1.00 32.46 N ATOM 1353 CA PHE A 140 -3.014 17.519 -3.211 1.00 29.34 C ATOM 1354 C PHE A 140 -2.696 16.026 -3.125 1.00 29.09 C ATOM 1355 O PHE A 140 -1.612 15.645 -2.701 1.00 24.36 O ATOM 1356 CB PHE A 140 -2.346 18.101 -4.463 1.00 30.85 C ATOM 1357 CG PHE A 140 -3.055 17.713 -5.761 1.00 28.74 C ATOM 1358 CD1 PHE A 140 -4.068 18.492 -6.275 1.00 28.93 C ATOM 1359 CD2 PHE A 140 -2.726 16.537 -6.423 1.00 29.48 C ATOM 1360 CE1 PHE A 140 -4.718 18.150 -7.445 1.00 29.77 C ATOM 1361 CE2 PHE A 140 -3.379 16.166 -7.581 1.00 29.16 C ATOM 1362 CZ PHE A 140 -4.402 16.958 -8.085 1.00 28.19 C ATOM 1363 H PHE A 140 -1.737 17.691 -1.474 1.00 0.00 H ATOM 1364 N PRO A 141 -3.636 15.181 -3.511 1.00 28.67 N ATOM 1365 CA PRO A 141 -3.432 13.740 -3.383 1.00 32.15 C ATOM 1366 C PRO A 141 -2.652 13.193 -4.595 1.00 33.35 C ATOM 1367 O PRO A 141 -3.201 12.527 -5.483 1.00 32.64 O ATOM 1368 CB PRO A 141 -4.843 13.191 -3.363 1.00 30.80 C ATOM 1369 CG PRO A 141 -5.561 14.154 -4.233 1.00 30.99 C ATOM 1370 CD PRO A 141 -4.964 15.514 -4.013 1.00 28.88 C ATOM 1371 N THR A 142 -1.351 13.451 -4.576 1.00 36.48 N ATOM 1372 CA THR A 142 -0.451 12.950 -5.586 1.00 33.44 C ATOM 1373 C THR A 142 -0.372 11.426 -5.498 1.00 37.13 C ATOM 1374 O THR A 142 -0.735 10.817 -4.480 1.00 36.62 O ATOM 1375 CB THR A 142 0.944 13.569 -5.455 1.00 28.84 C ATOM 1376 OG1 THR A 142 1.469 13.272 -4.158 1.00 26.49 O ATOM 1377 CG2 THR A 142 0.851 15.069 -5.683 1.00 25.26 C ATOM 1378 HG1 THR A 142 2.371 13.670 -4.069 1.00 0.00 H ATOM 1379 H THR A 142 -0.966 14.035 -3.806 1.00 0.00 H ATOM 1380 N LYS A 143 0.079 10.831 -6.593 1.00 38.20 N ATOM 1381 CA LYS A 143 0.019 9.390 -6.810 1.00 39.66 C ATOM 1382 C LYS A 143 1.399 8.779 -6.929 1.00 40.06 C ATOM 1383 O LYS A 143 2.387 9.464 -7.201 1.00 35.48 O ATOM 1384 CB LYS A 143 -0.681 9.100 -8.124 1.00 41.40 C ATOM 1385 CG LYS A 143 -2.149 9.426 -8.182 1.00 44.30 C ATOM 1386 CD LYS A 143 -2.629 8.958 -9.522 1.00 47.92 C ATOM 1387 CE LYS A 143 -1.906 7.670 -9.893 1.00 51.40 C ATOM 1388 NZ LYS A 143 -2.373 7.200 -11.215 1.00 58.01 N ATOM 1389 HZ1 LYS A 143 -3.397 7.023 -11.177 1.00 0.00 H ATOM 1390 HZ2 LYS A 143 -2.172 7.927 -11.931 1.00 0.00 H ATOM 1391 HZ3 LYS A 143 -1.877 6.321 -11.464 1.00 0.00 H ATOM 1392 H LYS A 143 0.498 11.424 -7.338 1.00 0.00 H ATOM 1393 N ALA A 144 1.444 7.460 -6.759 1.00 41.08 N ATOM 1394 CA ALA A 144 2.626 6.707 -7.096 1.00 43.18 C ATOM 1395 C ALA A 144 2.901 6.913 -8.592 1.00 39.25 C ATOM 1396 O ALA A 144 1.971 6.998 -9.396 1.00 42.52 O ATOM 1397 CB ALA A 144 2.423 5.233 -6.781 1.00 42.29 C ATOM 1398 H ALA A 144 0.613 6.965 -6.377 1.00 0.00 H ATOM 1399 N GLY A 145 4.173 6.985 -8.951 1.00 32.52 N ATOM 1400 CA GLY A 145 4.563 7.159 -10.335 1.00 31.03 C ATOM 1401 C GLY A 145 4.856 8.626 -10.625 1.00 27.84 C ATOM 1402 O GLY A 145 5.220 8.957 -11.733 1.00 27.05 O ATOM 1403 H GLY A 145 4.911 6.915 -8.221 1.00 0.00 H ATOM 1404 N GLN A 146 4.648 9.495 -9.632 1.00 22.18 N ATOM 1405 CA GLN A 146 4.793 10.933 -9.873 1.00 22.63 C ATOM 1406 C GLN A 146 6.113 11.457 -9.316 1.00 20.70 C ATOM 1407 O GLN A 146 6.384 12.661 -9.430 1.00 21.27 O ATOM 1408 CB GLN A 146 3.579 11.696 -9.303 1.00 21.22 C ATOM 1409 CG GLN A 146 2.373 11.613 -10.252 1.00 23.14 C ATOM 1410 CD GLN A 146 1.077 12.200 -9.739 1.00 24.82 C ATOM 1411 OE1 GLN A 146 0.867 12.338 -8.550 1.00 26.67 O ATOM 1412 NE2 GLN A 146 0.169 12.503 -10.671 1.00 29.18 N ATOM 1413 HE22 GLN A 146 0.392 12.369 -11.678 1.00 0.00 H ATOM 1414 HE21 GLN A 146 -0.761 12.873 -10.390 1.00 0.00 H ATOM 1415 H GLN A 146 4.383 9.151 -8.687 1.00 0.00 H ATOM 1416 N CYS A 147 6.902 10.590 -8.672 1.00 20.91 N ATOM 1417 CA CYS A 147 8.142 11.026 -8.075 1.00 22.44 C ATOM 1418 C CYS A 147 9.122 11.492 -9.115 1.00 20.05 C ATOM 1419 O CYS A 147 9.226 10.950 -10.218 1.00 20.05 O ATOM 1420 CB CYS A 147 8.766 9.964 -7.184 1.00 25.89 C ATOM 1421 SG CYS A 147 7.747 9.760 -5.743 1.00 28.23 S ATOM 1422 H CYS A 147 6.619 9.592 -8.601 1.00 0.00 H ATOM 1423 N GLY A 148 9.825 12.547 -8.764 1.00 16.92 N ATOM 1424 CA GLY A 148 10.768 13.132 -9.658 1.00 15.94 C ATOM 1425 C GLY A 148 10.140 14.316 -10.295 1.00 16.15 C ATOM 1426 O GLY A 148 10.830 15.158 -10.871 1.00 18.70 O ATOM 1427 H GLY A 148 9.690 12.961 -7.819 1.00 0.00 H ATOM 1428 N GLY A 149 8.824 14.396 -10.189 1.00 16.40 N ATOM 1429 CA GLY A 149 8.067 15.434 -10.805 1.00 18.00 C ATOM 1430 C GLY A 149 8.548 16.809 -10.325 1.00 15.82 C ATOM 1431 O GLY A 149 9.001 16.952 -9.228 1.00 18.78 O ATOM 1432 H GLY A 149 8.322 13.673 -9.634 1.00 0.00 H ATOM 1433 N VAL A 150 8.506 17.795 -11.161 1.00 16.91 N ATOM 1434 CA VAL A 150 9.145 19.056 -10.846 1.00 17.90 C ATOM 1435 C VAL A 150 8.138 20.094 -10.389 1.00 18.47 C ATOM 1436 O VAL A 150 7.177 20.403 -11.085 1.00 19.80 O ATOM 1437 CB VAL A 150 9.847 19.607 -12.063 1.00 19.80 C ATOM 1438 CG1 VAL A 150 10.523 20.907 -11.715 1.00 22.01 C ATOM 1439 CG2 VAL A 150 10.858 18.607 -12.571 1.00 21.66 C ATOM 1440 H VAL A 150 8.009 17.681 -12.067 1.00 0.00 H ATOM 1441 N VAL A 151 8.360 20.653 -9.224 1.00 19.27 N ATOM 1442 CA VAL A 151 7.427 21.614 -8.662 1.00 21.88 C ATOM 1443 C VAL A 151 7.810 22.980 -9.143 1.00 23.65 C ATOM 1444 O VAL A 151 8.905 23.429 -8.889 1.00 25.00 O ATOM 1445 CB VAL A 151 7.468 21.572 -7.151 1.00 22.78 C ATOM 1446 CG1 VAL A 151 6.565 22.617 -6.579 1.00 23.92 C ATOM 1447 CG2 VAL A 151 7.086 20.165 -6.664 1.00 21.90 C ATOM 1448 H VAL A 151 9.219 20.404 -8.693 1.00 0.00 H ATOM 1449 N THR A 152 6.900 23.631 -9.844 1.00 23.92 N ATOM 1450 CA THR A 152 7.199 24.920 -10.472 1.00 30.89 C ATOM 1451 C THR A 152 6.137 25.963 -10.171 1.00 30.52 C ATOM 1452 O THR A 152 4.963 25.617 -9.963 1.00 29.67 O ATOM 1453 CB THR A 152 7.365 24.755 -11.993 1.00 34.15 C ATOM 1454 OG1 THR A 152 6.091 24.544 -12.621 1.00 40.31 O ATOM 1455 CG2 THR A 152 8.238 23.512 -12.277 1.00 38.25 C ATOM 1456 HG1 THR A 152 5.674 23.725 -12.253 1.00 0.00 H ATOM 1457 H THR A 152 5.951 23.220 -9.953 1.00 0.00 H ATOM 1458 N SER A 153 6.560 27.227 -10.128 1.00 34.36 N ATOM 1459 CA SER A 153 5.629 28.367 -10.001 1.00 38.58 C ATOM 1460 C SER A 153 6.294 29.667 -10.403 1.00 42.39 C ATOM 1461 O SER A 153 7.414 29.993 -9.948 1.00 32.76 O ATOM 1462 CB SER A 153 5.138 28.505 -8.558 1.00 42.36 C ATOM 1463 OG SER A 153 4.767 29.854 -8.251 1.00 48.42 O ATOM 1464 HG SER A 153 4.456 29.904 -7.313 1.00 0.00 H ATOM 1465 H SER A 153 7.581 27.417 -10.186 1.00 0.00 H ATOM 1466 N VAL A 154 5.591 30.415 -11.255 1.00 43.29 N ATOM 1467 CA VAL A 154 5.984 31.760 -11.623 1.00 46.10 C ATOM 1468 C VAL A 154 7.436 31.848 -12.115 1.00 41.24 C ATOM 1469 O VAL A 154 8.188 32.707 -11.704 1.00 42.53 O ATOM 1470 CB VAL A 154 5.722 32.775 -10.463 1.00 51.23 C ATOM 1471 CG1 VAL A 154 4.237 32.767 -10.082 1.00 50.82 C ATOM 1472 CG2 VAL A 154 6.591 32.504 -9.223 1.00 52.57 C ATOM 1473 H VAL A 154 4.726 30.016 -11.672 1.00 0.00 H ATOM 1474 N GLY A 155 7.796 30.970 -13.030 1.00 34.22 N ATOM 1475 CA GLY A 155 9.125 30.961 -13.588 1.00 32.86 C ATOM 1476 C GLY A 155 10.220 30.489 -12.650 1.00 30.59 C ATOM 1477 O GLY A 155 11.373 30.709 -12.904 1.00 34.20 O ATOM 1478 H GLY A 155 7.104 30.266 -13.357 1.00 0.00 H ATOM 1479 N LYS A 156 9.857 29.804 -11.573 1.00 27.01 N ATOM 1480 CA LYS A 156 10.820 29.210 -10.678 1.00 27.52 C ATOM 1481 C LYS A 156 10.630 27.705 -10.488 1.00 25.84 C ATOM 1482 O LYS A 156 9.499 27.205 -10.457 1.00 24.59 O ATOM 1483 CB LYS A 156 10.789 29.888 -9.337 1.00 32.12 C ATOM 1484 CG LYS A 156 11.085 31.390 -9.465 1.00 35.39 C ATOM 1485 CD LYS A 156 11.082 32.032 -8.096 1.00 43.19 C ATOM 1486 CE LYS A 156 9.632 32.158 -7.627 1.00 50.02 C ATOM 1487 NZ LYS A 156 9.447 32.797 -6.297 1.00 52.09 N ATOM 1488 HZ1 LYS A 156 9.944 32.239 -5.574 1.00 0.00 H ATOM 1489 HZ2 LYS A 156 9.835 33.762 -6.320 1.00 0.00 H ATOM 1490 HZ3 LYS A 156 8.433 32.835 -6.070 1.00 0.00 H ATOM 1491 H LYS A 156 8.844 29.692 -11.367 1.00 0.00 H ATOM 1492 N VAL A 157 11.755 27.035 -10.346 1.00 20.66 N ATOM 1493 CA VAL A 157 11.812 25.608 -10.103 1.00 22.19 C ATOM 1494 C VAL A 157 12.231 25.393 -8.672 1.00 22.46 C ATOM 1495 O VAL A 157 13.372 25.625 -8.299 1.00 23.59 O ATOM 1496 CB VAL A 157 12.846 24.951 -11.006 1.00 20.88 C ATOM 1497 CG1 VAL A 157 12.795 23.439 -10.822 1.00 21.93 C ATOM 1498 CG2 VAL A 157 12.552 25.297 -12.449 1.00 20.26 C ATOM 1499 H VAL A 157 12.651 27.559 -10.412 1.00 0.00 H ATOM 1500 N ILE A 158 11.304 24.938 -7.859 1.00 22.33 N ATOM 1501 CA ILE A 158 11.511 24.964 -6.435 1.00 22.50 C ATOM 1502 C ILE A 158 11.611 23.623 -5.763 1.00 21.57 C ATOM 1503 O ILE A 158 12.115 23.535 -4.651 1.00 22.86 O ATOM 1504 CB ILE A 158 10.445 25.795 -5.728 1.00 27.39 C ATOM 1505 CG1 ILE A 158 9.072 25.131 -5.803 1.00 28.98 C ATOM 1506 CG2 ILE A 158 10.378 27.213 -6.302 1.00 27.40 C ATOM 1507 CD1 ILE A 158 8.006 25.967 -5.182 1.00 29.63 C ATOM 1508 H ILE A 158 10.417 24.558 -8.246 1.00 0.00 H ATOM 1509 N GLY A 159 11.126 22.581 -6.409 1.00 19.67 N ATOM 1510 CA GLY A 159 11.223 21.276 -5.820 1.00 19.19 C ATOM 1511 C GLY A 159 11.118 20.093 -6.755 1.00 16.88 C ATOM 1512 O GLY A 159 10.781 20.228 -7.904 1.00 17.05 O ATOM 1513 H GLY A 159 10.676 22.704 -7.339 1.00 0.00 H ATOM 1514 N ILE A 160 11.403 18.938 -6.205 1.00 15.81 N ATOM 1515 CA ILE A 160 11.255 17.665 -6.819 1.00 17.59 C ATOM 1516 C ILE A 160 10.366 16.734 -5.975 1.00 20.16 C ATOM 1517 O ILE A 160 10.677 16.407 -4.810 1.00 20.78 O ATOM 1518 CB ILE A 160 12.628 17.014 -6.918 1.00 19.79 C ATOM 1519 CG1 ILE A 160 13.538 17.902 -7.768 1.00 21.35 C ATOM 1520 CG2 ILE A 160 12.534 15.600 -7.437 1.00 21.32 C ATOM 1521 CD1 ILE A 160 13.234 17.834 -9.230 1.00 23.06 C ATOM 1522 H ILE A 160 11.770 18.955 -5.232 1.00 0.00 H ATOM 1523 N HIS A 161 9.307 16.273 -6.578 1.00 21.23 N ATOM 1524 CA HIS A 161 8.340 15.466 -5.863 1.00 21.78 C ATOM 1525 C HIS A 161 8.960 14.204 -5.379 1.00 20.40 C ATOM 1526 O HIS A 161 9.658 13.522 -6.117 1.00 20.00 O ATOM 1527 CB HIS A 161 7.126 15.183 -6.747 1.00 21.46 C ATOM 1528 CG HIS A 161 5.997 14.546 -6.006 1.00 25.11 C ATOM 1529 ND1 HIS A 161 5.745 13.193 -6.054 1.00 26.32 N ATOM 1530 CD2 HIS A 161 5.096 15.064 -5.138 1.00 24.68 C ATOM 1531 CE1 HIS A 161 4.709 12.908 -5.282 1.00 26.92 C ATOM 1532 NE2 HIS A 161 4.299 14.023 -4.710 1.00 29.43 N ATOM 1533 H HIS A 161 9.154 16.487 -7.584 1.00 0.00 H ATOM 1534 N ILE A 162 8.730 13.874 -4.102 1.00 19.26 N ATOM 1535 CA ILE A 162 9.302 12.680 -3.515 1.00 23.20 C ATOM 1536 C ILE A 162 8.311 11.744 -2.810 1.00 24.56 C ATOM 1537 O ILE A 162 8.690 10.672 -2.371 1.00 26.01 O ATOM 1538 CB ILE A 162 10.400 13.032 -2.512 1.00 23.06 C ATOM 1539 CG1 ILE A 162 9.847 13.972 -1.417 1.00 25.67 C ATOM 1540 CG2 ILE A 162 11.613 13.591 -3.265 1.00 24.25 C ATOM 1541 CD1 ILE A 162 10.535 13.816 -0.090 1.00 27.34 C ATOM 1542 H ILE A 162 8.127 14.489 -3.519 1.00 0.00 H ATOM 1543 N GLY A 163 7.071 12.164 -2.674 1.00 27.35 N ATOM 1544 CA GLY A 163 6.066 11.277 -2.061 1.00 28.78 C ATOM 1545 C GLY A 163 4.788 11.975 -1.670 1.00 29.83 C ATOM 1546 O GLY A 163 4.560 13.150 -1.987 1.00 27.91 O ATOM 1547 H GLY A 163 6.802 13.115 -2.997 1.00 0.00 H ATOM 1548 N GLY A 164 3.930 11.212 -0.996 1.00 35.01 N ATOM 1549 CA GLY A 164 2.671 11.730 -0.489 1.00 33.93 C ATOM 1550 C GLY A 164 2.000 10.726 0.432 1.00 33.77 C ATOM 1551 O GLY A 164 2.565 9.658 0.713 1.00 30.04 O ATOM 1552 H GLY A 164 4.169 10.214 -0.827 1.00 0.00 H ATOM 1553 N ASN A 165 0.828 11.096 0.932 1.00 36.44 N ATOM 1554 CA ASN A 165 0.143 10.271 1.966 1.00 37.66 C ATOM 1555 C ASN A 165 -1.343 10.084 1.642 1.00 37.95 C ATOM 1556 O ASN A 165 -2.137 9.634 2.470 1.00 43.87 O ATOM 1557 CB ASN A 165 0.383 10.873 3.368 1.00 38.07 C ATOM 1558 CG ASN A 165 -0.211 12.255 3.518 1.00 33.71 C ATOM 1559 OD1 ASN A 165 -1.048 12.664 2.721 1.00 37.63 O ATOM 1560 ND2 ASN A 165 0.216 12.986 4.537 1.00 37.48 N ATOM 1561 HD22 ASN A 165 0.928 12.601 5.191 1.00 0.00 H ATOM 1562 HD21 ASN A 165 -0.160 13.944 4.683 1.00 0.00 H ATOM 1563 H ASN A 165 0.382 11.974 0.598 1.00 0.00 H ATOM 1564 N GLY A 166 -1.681 10.372 0.399 1.00 35.46 N ATOM 1565 CA GLY A 166 -2.994 10.104 -0.164 1.00 32.24 C ATOM 1566 C GLY A 166 -3.900 11.303 -0.068 1.00 29.76 C ATOM 1567 O GLY A 166 -4.985 11.315 -0.659 1.00 28.82 O ATOM 1568 H GLY A 166 -0.967 10.816 -0.213 1.00 0.00 H ATOM 1569 N ARG A 167 -3.486 12.301 0.704 1.00 29.64 N ATOM 1570 CA ARG A 167 -4.170 13.560 0.820 1.00 30.54 C ATOM 1571 C ARG A 167 -3.223 14.690 0.508 1.00 30.25 C ATOM 1572 O ARG A 167 -3.645 15.734 -0.001 1.00 27.91 O ATOM 1573 CB ARG A 167 -4.667 13.747 2.266 1.00 32.97 C ATOM 1574 CG ARG A 167 -5.741 12.767 2.666 1.00 34.63 C ATOM 1575 CD ARG A 167 -6.158 13.059 4.093 1.00 38.69 C ATOM 1576 NE ARG A 167 -5.016 13.166 4.984 1.00 38.61 N ATOM 1577 CZ ARG A 167 -4.231 12.154 5.309 1.00 37.87 C ATOM 1578 NH1 ARG A 167 -4.430 10.968 4.768 1.00 41.04 N ATOM 1579 NH2 ARG A 167 -3.213 12.343 6.141 1.00 38.59 N ATOM 1580 HE ARG A 167 -4.803 14.098 5.392 1.00 0.00 H ATOM 1581 HH12 ARG A 167 -3.813 10.170 5.023 1.00 0.00 H ATOM 1582 HH11 ARG A 167 -5.204 10.830 4.087 1.00 0.00 H ATOM 1583 HH22 ARG A 167 -2.595 11.546 6.397 1.00 0.00 H ATOM 1584 HH21 ARG A 167 -3.034 13.288 6.537 1.00 0.00 H ATOM 1585 H ARG A 167 -2.616 12.164 1.257 1.00 0.00 H ATOM 1586 N GLN A 168 -1.956 14.485 0.808 1.00 30.22 N ATOM 1587 CA GLN A 168 -0.944 15.517 0.606 1.00 33.91 C ATOM 1588 C GLN A 168 0.254 14.980 -0.164 1.00 31.76 C ATOM 1589 O GLN A 168 0.570 13.794 -0.107 1.00 31.80 O ATOM 1590 CB GLN A 168 -0.459 16.092 1.942 1.00 31.43 C ATOM 1591 CG GLN A 168 -1.591 16.508 2.885 1.00 35.74 C ATOM 1592 CD GLN A 168 -1.085 16.843 4.264 1.00 35.41 C ATOM 1593 OE1 GLN A 168 -0.744 15.945 5.020 1.00 31.97 O ATOM 1594 NE2 GLN A 168 -0.991 18.135 4.592 1.00 31.47 N ATOM 1595 HE22 GLN A 168 -1.293 18.866 3.917 1.00 0.00 H ATOM 1596 HE21 GLN A 168 -0.616 18.409 5.522 1.00 0.00 H ATOM 1597 H GLN A 168 -1.670 13.564 1.199 1.00 0.00 H ATOM 1598 N GLY A 169 0.923 15.904 -0.852 1.00 28.49 N ATOM 1599 CA GLY A 169 2.159 15.622 -1.545 1.00 25.51 C ATOM 1600 C GLY A 169 3.311 16.377 -0.962 1.00 26.03 C ATOM 1601 O GLY A 169 3.135 17.465 -0.420 1.00 26.59 O ATOM 1602 H GLY A 169 0.539 16.870 -0.892 1.00 0.00 H ATOM 1603 N PHE A 170 4.509 15.808 -1.089 1.00 26.43 N ATOM 1604 CA PHE A 170 5.720 16.454 -0.618 1.00 26.36 C ATOM 1605 C PHE A 170 6.850 16.478 -1.665 1.00 24.97 C ATOM 1606 O PHE A 170 6.991 15.515 -2.433 1.00 22.40 O ATOM 1607 CB PHE A 170 6.238 15.705 0.596 1.00 29.62 C ATOM 1608 CG PHE A 170 5.224 15.614 1.672 1.00 32.77 C ATOM 1609 CD1 PHE A 170 5.081 16.635 2.593 1.00 33.56 C ATOM 1610 CD2 PHE A 170 4.330 14.575 1.680 1.00 32.31 C ATOM 1611 CE1 PHE A 170 4.090 16.569 3.559 1.00 32.84 C ATOM 1612 CE2 PHE A 170 3.341 14.517 2.629 1.00 35.29 C ATOM 1613 CZ PHE A 170 3.220 15.519 3.564 1.00 30.12 C ATOM 1614 H PHE A 170 4.578 14.873 -1.539 1.00 0.00 H ATOM 1615 N CYS A 171 7.629 17.551 -1.645 1.00 23.15 N ATOM 1616 CA CYS A 171 8.860 17.629 -2.464 1.00 25.31 C ATOM 1617 C CYS A 171 10.080 17.876 -1.610 1.00 27.98 C ATOM 1618 O CYS A 171 9.964 18.422 -0.488 1.00 26.67 O ATOM 1619 CB CYS A 171 8.735 18.710 -3.517 1.00 25.78 C ATOM 1620 SG CYS A 171 8.507 20.404 -2.910 1.00 27.62 S ATOM 1621 H CYS A 171 7.369 18.356 -1.040 1.00 0.00 H ATOM 1622 N ALA A 172 11.237 17.393 -2.087 1.00 22.40 N ATOM 1623 CA ALA A 172 12.495 17.846 -1.599 1.00 23.03 C ATOM 1624 C ALA A 172 12.709 19.226 -2.197 1.00 23.06 C ATOM 1625 O ALA A 172 12.701 19.402 -3.433 1.00 20.31 O ATOM 1626 CB ALA A 172 13.617 16.928 -2.054 1.00 23.20 C ATOM 1627 H ALA A 172 11.214 16.669 -2.833 1.00 0.00 H ATOM 1628 N GLY A 173 12.959 20.208 -1.341 1.00 21.94 N ATOM 1629 CA GLY A 173 13.216 21.547 -1.830 1.00 21.64 C ATOM 1630 C GLY A 173 14.508 21.615 -2.636 1.00 22.43 C ATOM 1631 O GLY A 173 15.477 20.891 -2.361 1.00 20.23 O ATOM 1632 H GLY A 173 12.970 20.017 -0.319 1.00 0.00 H ATOM 1633 N LEU A 174 14.541 22.530 -3.596 1.00 22.66 N ATOM 1634 CA LEU A 174 15.758 22.790 -4.357 1.00 23.54 C ATOM 1635 C LEU A 174 16.422 24.153 -4.007 1.00 22.20 C ATOM 1636 O LEU A 174 15.757 25.163 -3.827 1.00 26.51 O ATOM 1637 CB LEU A 174 15.462 22.773 -5.830 1.00 23.71 C ATOM 1638 CG LEU A 174 15.128 21.470 -6.520 1.00 23.94 C ATOM 1639 CD1 LEU A 174 14.837 21.763 -7.978 1.00 24.35 C ATOM 1640 CD2 LEU A 174 16.217 20.425 -6.351 1.00 23.62 C ATOM 1641 H LEU A 174 13.681 23.074 -3.811 1.00 0.00 H ATOM 1642 N LYS A 175 17.731 24.147 -3.921 1.00 21.50 N ATOM 1643 CA LYS A 175 18.484 25.374 -3.827 1.00 23.59 C ATOM 1644 C LYS A 175 19.623 25.392 -4.820 1.00 20.14 C ATOM 1645 O LYS A 175 20.157 24.378 -5.207 1.00 18.65 O ATOM 1646 CB LYS A 175 19.016 25.591 -2.417 1.00 30.51 C ATOM 1647 CG LYS A 175 19.831 24.436 -1.928 1.00 34.70 C ATOM 1648 CD LYS A 175 20.595 24.777 -0.653 1.00 39.64 C ATOM 1649 CE LYS A 175 19.834 25.663 0.271 1.00 40.73 C ATOM 1650 NZ LYS A 175 20.821 26.019 1.302 1.00 45.31 N ATOM 1651 HZ1 LYS A 175 21.157 25.154 1.772 1.00 0.00 H ATOM 1652 HZ2 LYS A 175 21.624 26.508 0.857 1.00 0.00 H ATOM 1653 HZ3 LYS A 175 20.377 26.646 2.003 1.00 0.00 H ATOM 1654 H LYS A 175 18.237 23.238 -3.921 1.00 0.00 H ATOM 1655 N ARG A 176 19.971 26.591 -5.239 1.00 22.57 N ATOM 1656 CA ARG A 176 20.862 26.762 -6.372 1.00 24.71 C ATOM 1657 C ARG A 176 22.223 26.158 -6.083 1.00 24.62 C ATOM 1658 O ARG A 176 22.824 25.530 -6.964 1.00 24.83 O ATOM 1659 CB ARG A 176 20.961 28.214 -6.729 1.00 24.58 C ATOM 1660 CG ARG A 176 21.342 28.455 -8.143 1.00 25.50 C ATOM 1661 CD ARG A 176 21.403 29.951 -8.464 1.00 27.97 C ATOM 1662 NE ARG A 176 20.080 30.527 -8.404 1.00 28.92 N ATOM 1663 CZ ARG A 176 19.815 31.813 -8.259 1.00 30.11 C ATOM 1664 NH1 ARG A 176 20.803 32.697 -8.147 1.00 31.38 N ATOM 1665 NH2 ARG A 176 18.556 32.208 -8.196 1.00 30.86 N ATOM 1666 HE ARG A 176 19.271 29.878 -8.481 1.00 0.00 H ATOM 1667 HH12 ARG A 176 20.586 33.708 -8.033 1.00 0.00 H ATOM 1668 HH11 ARG A 176 21.792 32.377 -8.173 1.00 0.00 H ATOM 1669 HH22 ARG A 176 18.333 33.217 -8.082 1.00 0.00 H ATOM 1670 HH21 ARG A 176 17.788 31.510 -8.260 1.00 0.00 H ATOM 1671 H ARG A 176 19.601 27.430 -4.749 1.00 0.00 H ATOM 1672 N SER A 177 22.669 26.271 -4.832 1.00 25.08 N ATOM 1673 CA SER A 177 23.975 25.745 -4.425 1.00 23.70 C ATOM 1674 C SER A 177 24.164 24.223 -4.534 1.00 22.81 C ATOM 1675 O SER A 177 25.294 23.774 -4.608 1.00 21.66 O ATOM 1676 CB SER A 177 24.325 26.159 -2.990 1.00 25.80 C ATOM 1677 OG SER A 177 23.357 25.704 -2.076 1.00 25.44 O ATOM 1678 HG SER A 177 22.476 26.091 -2.310 1.00 0.00 H ATOM 1679 H SER A 177 22.073 26.746 -4.124 1.00 0.00 H ATOM 1680 N TYR A 178 23.101 23.441 -4.607 1.00 21.68 N ATOM 1681 CA TYR A 178 23.263 22.001 -4.886 1.00 20.26 C ATOM 1682 C TYR A 178 23.964 21.742 -6.205 1.00 23.19 C ATOM 1683 O TYR A 178 24.657 20.742 -6.381 1.00 23.08 O ATOM 1684 CB TYR A 178 21.962 21.288 -4.922 1.00 20.96 C ATOM 1685 CG TYR A 178 21.216 21.237 -3.630 1.00 20.52 C ATOM 1686 CD1 TYR A 178 21.869 21.375 -2.411 1.00 21.15 C ATOM 1687 CD2 TYR A 178 19.838 21.049 -3.616 1.00 21.19 C ATOM 1688 CE1 TYR A 178 21.159 21.333 -1.258 1.00 22.00 C ATOM 1689 CE2 TYR A 178 19.121 21.001 -2.445 1.00 22.13 C ATOM 1690 CZ TYR A 178 19.796 21.156 -1.255 1.00 22.94 C ATOM 1691 OH TYR A 178 19.101 21.126 -0.032 1.00 22.97 O ATOM 1692 HH TYR A 178 18.647 20.252 0.067 1.00 0.00 H ATOM 1693 H TYR A 178 22.151 23.840 -4.468 1.00 0.00 H ATOM 1694 N PHE A 179 23.789 22.665 -7.144 1.00 24.55 N ATOM 1695 CA PHE A 179 24.226 22.458 -8.510 1.00 24.19 C ATOM 1696 C PHE A 179 25.423 23.361 -8.913 1.00 29.49 C ATOM 1697 O PHE A 179 25.785 23.431 -10.103 1.00 28.29 O ATOM 1698 CB PHE A 179 23.049 22.758 -9.414 1.00 23.17 C ATOM 1699 CG PHE A 179 21.819 22.044 -9.033 1.00 20.98 C ATOM 1700 CD1 PHE A 179 21.716 20.685 -9.213 1.00 21.32 C ATOM 1701 CD2 PHE A 179 20.794 22.699 -8.414 1.00 19.79 C ATOM 1702 CE1 PHE A 179 20.589 20.005 -8.782 1.00 22.38 C ATOM 1703 CE2 PHE A 179 19.654 22.037 -8.040 1.00 19.73 C ATOM 1704 CZ PHE A 179 19.566 20.674 -8.205 1.00 20.81 C ATOM 1705 H PHE A 179 23.325 23.561 -6.892 1.00 0.00 H ATOM 1706 N ALA A 180 26.004 24.085 -7.959 1.00 25.94 N ATOM 1707 CA ALA A 180 27.252 24.756 -8.272 1.00 33.61 C ATOM 1708 C ALA A 180 28.284 23.715 -8.698 1.00 35.35 C ATOM 1709 O ALA A 180 29.319 24.094 -9.216 1.00 45.90 O ATOM 1710 CB ALA A 180 27.772 25.558 -7.096 1.00 34.06 C ATOM 1711 H ALA A 180 25.575 24.168 -7.015 1.00 0.00 H TER 1712 ALA A 180 HETATM 1713 O HOH 1 24.625 5.762 -10.383 1.00 43.16 O HETATM 1714 O HOH 2 17.864 9.918 -23.924 1.00 26.32 O HETATM 1715 O HOH 3 -0.916 6.576 -17.047 1.00 37.43 O HETATM 1716 O HOH 4 7.133 28.628 -12.464 1.00 50.70 O HETATM 1717 O HOH 5 12.648 32.660 -11.970 1.00 31.57 O HETATM 1718 O HOH 6 3.964 2.288 -23.011 1.00 47.82 O HETATM 1719 O HOH 7 7.557 10.795 -12.133 1.00 16.37 O HETATM 1720 O HOH 8 7.313 26.682 -24.412 1.00 36.23 O HETATM 1721 O HOH 9 24.166 23.839 -19.582 1.00 28.88 O HETATM 1722 O HOH 10 26.151 9.477 -2.611 1.00 35.33 O HETATM 1723 O HOH 11 19.451 3.072 -13.341 1.00 30.04 O HETATM 1724 O HOH 12 -7.539 11.591 -0.193 1.00 40.05 O HETATM 1725 O HOH 13 11.086 3.857 -22.820 1.00 51.53 O HETATM 1726 O HOH 14 -1.570 22.890 -1.700 1.00 32.26 O HETATM 1727 O HOH 15 16.799 33.010 -4.624 1.00 35.30 O HETATM 1728 O HOH 16 22.119 28.239 -2.844 1.00 31.78 O HETATM 1729 O HOH 17 16.537 19.922 -0.121 1.00 27.57 O HETATM 1730 O HOH 18 -0.960 11.578 -1.876 1.00 30.91 O HETATM 1731 O HOH 19 22.524 23.942 1.637 1.00 50.04 O HETATM 1732 O HOH 20 18.094 10.420 7.049 1.00 34.05 O HETATM 1733 O HOH 21 4.456 7.495 -23.161 1.00 35.25 O HETATM 1734 O HOH 22 18.395 20.905 -22.832 1.00 26.13 O HETATM 1735 O HOH 23 5.010 7.117 -13.776 1.00 35.49 O HETATM 1736 O HOH 24 -2.525 13.118 -10.198 1.00 39.47 O HETATM 1737 O HOH 25 4.673 31.566 -6.020 1.00 48.71 O HETATM 1738 O HOH 26 11.315 26.745 -19.218 1.00 37.95 O HETATM 1739 O HOH 27 13.070 25.947 -3.364 1.00 25.30 O HETATM 1740 O HOH 28 24.307 26.876 -8.982 1.00 37.30 O HETATM 1741 O HOH 29 10.539 6.852 -22.098 1.00 34.28 O HETATM 1742 O HOH 30 0.000 11.804 -18.965 1.00 26.96 O HETATM 1743 O HOH 31 13.639 14.595 -10.713 1.00 27.06 O HETATM 1744 O HOH 32 15.043 17.869 0.661 1.00 25.26 O HETATM 1745 O HOH 33 15.333 3.615 -0.971 1.00 51.79 O HETATM 1746 O HOH 34 26.150 7.101 -22.262 1.00 26.42 O HETATM 1747 O HOH 35 30.070 12.753 -21.727 1.00 36.66 O HETATM 1748 O HOH 36 9.589 6.563 -17.794 1.00 23.15 O HETATM 1749 O HOH 37 9.438 13.428 -23.206 1.00 35.59 O HETATM 1750 O HOH 38 24.552 18.089 0.316 1.00 34.38 O HETATM 1751 O HOH 39 11.231 5.676 -20.128 1.00 22.69 O HETATM 1752 O HOH 40 11.862 15.294 -22.578 1.00 35.48 O HETATM 1753 O HOH 41 31.417 7.046 -23.969 1.00 42.97 O HETATM 1754 O HOH 42 0.004 4.785 -18.972 1.00 36.23 O HETATM 1755 O HOH 43 16.564 32.542 -20.467 1.00 44.21 O HETATM 1756 O HOH 44 14.010 20.580 7.480 1.00 30.34 O HETATM 1757 O HOH 45 22.496 26.671 -21.334 1.00 32.62 O HETATM 1758 O HOH 46 17.538 22.941 -25.173 1.00 24.09 O HETATM 1759 O HOH 47 20.490 2.225 -25.880 1.00 32.48 O HETATM 1760 O HOH 48 20.728 29.535 -15.659 1.00 28.74 O HETATM 1761 O HOH 49 30.010 14.319 -18.582 1.00 47.87 O HETATM 1762 O HOH 50 8.440 4.353 -9.830 1.00 35.43 O HETATM 1763 O HOH 51 17.567 27.204 2.384 1.00 28.87 O HETATM 1764 O HOH 52 2.766 29.565 -12.749 1.00 27.03 O HETATM 1765 O HOH 53 7.013 2.592 -11.737 1.00 32.53 O HETATM 1766 O HOH 54 0.000 31.186 -18.965 1.00 13.98 O HETATM 1767 O HOH 55 28.473 18.024 -15.891 1.00 26.33 O HETATM 1768 O HOH 56 14.129 22.238 -27.837 1.00 32.50 O HETATM 1769 O HOH 57 7.880 7.186 -8.724 1.00 37.74 O HETATM 1770 O25 GHY A 58 6.686 5.965 -2.851 1.00 -0.39 O HETATM 1771 C23 GHY A 58 7.086 7.061 -2.531 1.00 0.20 C HETATM 1772 C15 GHY A 58 7.669 7.309 -1.183 1.00 0.14 C HETATM 1773 C16 GHY A 58 8.823 6.303 -1.026 1.00 0.02 C HETATM 1774 C17 GHY A 58 10.090 6.781 -0.314 1.00 -0.04 C HETATM 1775 C22 GHY A 58 11.094 5.831 -0.105 1.00 -0.06 C HETATM 1776 C21 GHY A 58 12.279 6.175 0.558 1.00 -0.07 C HETATM 1777 C20 GHY A 58 12.473 7.483 1.021 1.00 -0.07 C HETATM 1778 C19 GHY A 58 11.485 8.444 0.820 1.00 -0.07 C HETATM 1779 C18 GHY A 58 10.311 8.096 0.153 1.00 -0.06 C HETATM 1780 H8 GHY A 58 9.551 8.851 -0.011 1.00 0.06 H HETATM 1781 H7 GHY A 58 11.628 9.457 1.180 1.00 0.06 H HETATM 1782 H6 GHY A 58 13.390 7.747 1.535 1.00 0.06 H HETATM 1783 H5 GHY A 58 13.048 5.427 0.713 1.00 0.06 H HETATM 1784 H4 GHY A 58 10.954 4.816 -0.460 1.00 0.06 H HETATM 1785 H2 GHY A 58 9.116 5.979 -2.035 1.00 0.05 H HETATM 1786 H3 GHY A 58 8.434 5.442 -0.462 1.00 0.05 H HETATM 1787 N13 GHY A 58 6.516 7.201 -0.242 1.00 -0.24 N HETATM 1788 C12 GHY A 58 5.859 6.119 0.200 1.00 0.32 C HETATM 1789 O11 GHY A 58 4.724 6.356 1.108 1.00 -0.26 O HETATM 1790 C10 GHY A 58 4.681 5.599 2.328 1.00 0.08 C HETATM 1791 C1 GHY A 58 4.354 4.131 2.035 1.00 -0.03 C HETATM 1792 H11 GHY A 58 4.325 3.566 2.979 1.00 0.03 H HETATM 1793 H12 GHY A 58 5.128 3.707 1.378 1.00 0.03 H HETATM 1794 H13 GHY A 58 3.375 4.066 1.538 1.00 0.03 H HETATM 1795 C5 GHY A 58 3.652 6.235 3.271 1.00 -0.03 C HETATM 1796 H14 GHY A 58 3.611 5.662 4.209 1.00 0.03 H HETATM 1797 H15 GHY A 58 2.662 6.226 2.793 1.00 0.03 H HETATM 1798 H16 GHY A 58 3.945 7.273 3.487 1.00 0.03 H HETATM 1799 H10 GHY A 58 5.670 5.643 2.808 1.00 0.06 H HETATM 1800 O14 GHY A 58 6.146 4.973 -0.122 1.00 -0.38 O HETATM 1801 H9 GHY A 58 6.181 8.073 0.115 1.00 0.19 H HETATM 1802 H1 GHY A 58 8.084 8.325 -1.113 1.00 0.08 H HETATM 1803 N24 GHY A 58 6.945 8.019 -3.331 1.00 -0.28 N HETATM 1804 C26 GHY A 58 6.318 7.716 -4.618 1.00 0.07 C HETATM 1805 C27 GHY A 58 7.360 8.060 -5.731 1.00 0.07 C HETATM 1806 O28 GHY A 58 8.486 7.527 -5.317 1.00 -0.39 O HETATM 1807 H21 GHY A 58 8.727 7.908 -4.481 1.00 0.21 H HETATM 1808 H19 GHY A 58 7.465 9.150 -5.840 1.00 0.06 H HETATM 1809 H20 GHY A 58 7.056 7.623 -6.694 1.00 0.06 H HETATM 1810 C29 GHY A 58 5.018 8.574 -4.626 1.00 -0.02 C HETATM 1811 C30 GHY A 58 4.009 8.550 -3.448 1.00 0.04 C HETATM 1812 C31 GHY A 58 3.066 7.346 -3.366 1.00 -0.00 C HETATM 1813 C32 GHY A 58 1.672 7.850 -2.932 1.00 -0.03 C HETATM 1814 N33 GHY A 58 1.880 9.284 -2.987 1.00 0.25 N HETATM 1815 C34 GHY A 58 2.960 9.639 -3.555 1.00 0.08 C HETATM 1816 O1 GHY A 58 3.047 10.791 -4.236 1.00 -0.35 O HETATM 1817 H32 GHY A 58 2.859 11.517 -3.653 1.00 0.22 H HETATM 1818 H31 GHY A 58 3.339 10.145 -2.655 1.00 0.12 H HETATM 1819 H29 GHY A 58 1.890 9.637 -2.043 1.00 0.20 H HETATM 1820 H30 GHY A 58 1.110 9.695 -3.491 1.00 0.20 H HETATM 1821 H27 GHY A 58 1.418 7.515 -1.915 1.00 0.08 H HETATM 1822 H28 GHY A 58 0.887 7.527 -3.632 1.00 0.08 H HETATM 1823 H25 GHY A 58 3.447 6.625 -2.628 1.00 0.03 H HETATM 1824 H26 GHY A 58 2.996 6.861 -4.351 1.00 0.03 H HETATM 1825 H24 GHY A 58 4.586 8.645 -2.516 1.00 0.04 H HETATM 1826 H22 GHY A 58 4.454 8.270 -5.520 1.00 0.03 H HETATM 1827 H23 GHY A 58 5.340 9.620 -4.734 1.00 0.03 H HETATM 1828 H18 GHY A 58 6.055 6.651 -4.692 1.00 0.06 H HETATM 1829 H17 GHY A 58 7.247 8.944 -3.100 1.00 0.19 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1770 1771 CONECT 1771 1770 1772 1803 CONECT 1772 1771 1773 1787 1802 CONECT 1773 1772 1774 1785 1786 CONECT 1774 1773 1775 1779 CONECT 1775 1774 1776 1784 CONECT 1776 1775 1777 1783 CONECT 1777 1776 1778 1782 CONECT 1778 1777 1779 1781 CONECT 1779 1774 1778 1780 CONECT 1780 1779 CONECT 1781 1778 CONECT 1782 1777 CONECT 1783 1776 CONECT 1784 1775 CONECT 1785 1773 CONECT 1786 1773 CONECT 1787 1772 1788 1801 CONECT 1788 1787 1789 1800 CONECT 1789 1788 1790 CONECT 1790 1789 1791 1795 1799 CONECT 1791 1790 1792 1793 1794 CONECT 1792 1791 CONECT 1793 1791 CONECT 1794 1791 CONECT 1795 1790 1796 1797 1798 CONECT 1796 1795 CONECT 1797 1795 CONECT 1798 1795 CONECT 1799 1790 CONECT 1800 1788 CONECT 1801 1787 CONECT 1802 1772 CONECT 1803 1771 1804 1829 CONECT 1804 1803 1805 1810 1828 CONECT 1805 1804 1806 1808 1809 CONECT 1806 1805 1807 CONECT 1807 1806 CONECT 1808 1805 CONECT 1809 1805 CONECT 1810 1804 1811 1826 1827 CONECT 1811 1810 1812 1815 1825 CONECT 1812 1811 1813 1823 1824 CONECT 1813 1812 1814 1821 1822 CONECT 1814 1813 1815 1819 1820 CONECT 1815 1811 1814 1816 1818 CONECT 1816 1815 1817 CONECT 1817 1816 CONECT 1818 1815 CONECT 1819 1814 CONECT 1820 1814 CONECT 1821 1813 CONECT 1822 1813 CONECT 1823 1812 CONECT 1824 1812 CONECT 1825 1811 CONECT 1826 1810 CONECT 1827 1810 CONECT 1828 1804 CONECT 1829 1803 MASTER 0 0 0 0 0 0 0 0 1828 1 64 14 END
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Related entries of code: 5c1y
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Protein Sequence Similarity
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RCSB PDB
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5c1y
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
EV71 3C Proteinase
Ligand Name
GHY
EC.Number
E.C.3.4.22.28
Resolution
1.97(Å)
Affinity (Kd/Ki/IC50)
IC50=1.246uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Mol.Recognit. Vol. 29: pp. 520-527
Ligand Properties
Formula
C
2
0
H
3
2
N
3
O
5
Molecular Weight
394.485
Exact Mass
394.234
No. of atoms
60
No. of bonds
61
Polar Surface Area
124.5
LOGP Value
1.26 (
Computed with XLOGP3
)
1.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
Canonical SMILES
OC[C@H](C[C@@H]1CC[NH2+][C@@H]1O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)C
InChI String
InChI=1S/C20H31N3O5/c1-13(2)28-20(27)23-17(10-14-6-4-3-5-7-14)19(26)22-16(12-24)11-15-8-9-21-18(15)25/h3-7,13,15-18,21,24-25H,8-12H2,1-2H3,(H,22,26)(H,23,27)/p+1/t15-,16-,17-,18+/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):
A9XG43
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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