Browse entries in the PDBbind-CN Database
HEADER 5UCH_COMPLEX COMPND 5UCH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 219 GLY HIS MET PRO GLU GLU VAL HIS HIS GLY GLU GLU GLU SEQRES 2 A 219 VAL GLU THR PHE ALA PHE GLN ALA GLU ILE ALA GLN LEU SEQRES 3 A 219 MET SER LEU ILE ILE ASN THR PHE TYR SER ASN LYS GLU SEQRES 4 A 219 ILE PHE LEU ARG GLU LEU ILE SER ASN ALA SER ASP ALA SEQRES 5 A 219 LEU ASP LYS ILE ARG TYR GLU SER LEU THR ASP PRO SER SEQRES 6 A 219 LYS LEU ASP SER GLY LYS GLU LEU LYS ILE ASP ILE ILE SEQRES 7 A 219 PRO ASN PRO GLN GLU ARG THR LEU THR LEU VAL ASP THR SEQRES 8 A 219 GLY ILE GLY MET THR LYS ALA ASP LEU ILE ASN ASN LEU SEQRES 9 A 219 GLY THR ILE ALA LYS SER GLY THR LYS ALA PHE MET GLU SEQRES 10 A 219 ALA LEU GLN ALA GLY ALA ASP ILE SER MET ILE GLY GLN SEQRES 11 A 219 PHE GLY VAL GLY PHE TYR SER ALA TYR LEU VAL ALA GLU SEQRES 12 A 219 LYS VAL VAL VAL ILE THR LYS HIS ASN ASP ASP GLU GLN SEQRES 13 A 219 TYR ALA TRP GLU SER SER ALA GLY GLY SER PHE THR VAL SEQRES 14 A 219 ARG ALA ASP HIS GLY GLU PRO ILE GLY ARG GLY THR LYS SEQRES 15 A 219 VAL ILE LEU HIS LEU LYS GLU ASP GLN THR GLU TYR LEU SEQRES 16 A 219 GLU GLU ARG ARG VAL LYS GLU VAL VAL LYS LYS HIS SER SEQRES 17 A 219 GLN PHE ILE GLY TYR PRO ILE THR LEU TYR LEU HET UNN A 262 42 ATOM 1 N GLY A -1 38.142 78.768 14.798 1.00113.70 N ATOM 2 CA GLY A -1 38.258 78.883 16.241 1.00111.48 C ATOM 3 C GLY A -1 37.915 77.600 16.984 1.00108.77 C ATOM 4 O GLY A -1 37.127 76.773 16.508 1.00114.76 O ATOM 5 HN3 GLY A -1 37.164 78.516 14.549 1.00 0.00 H ATOM 6 HN2 GLY A -1 38.789 78.029 14.457 1.00 0.00 H ATOM 7 HN1 GLY A -1 38.390 79.677 14.358 1.00 0.00 H ATOM 8 N HIS A 0 38.515 77.425 18.152 1.00100.23 N ATOM 9 CA HIS A 0 38.253 76.290 19.021 1.00 96.34 C ATOM 10 C HIS A 0 37.174 76.671 20.040 1.00100.75 C ATOM 11 O HIS A 0 36.760 77.826 20.130 1.00103.48 O ATOM 12 CB HIS A 0 39.560 75.849 19.695 1.00101.38 C ATOM 13 CG HIS A 0 39.443 74.585 20.486 1.00111.51 C ATOM 14 ND1 HIS A 0 39.107 73.375 19.917 1.00115.68 N ATOM 15 CD2 HIS A 0 39.604 74.346 21.809 1.00114.76 C ATOM 16 CE1 HIS A 0 39.068 72.446 20.856 1.00116.36 C ATOM 17 NE2 HIS A 0 39.365 73.010 22.013 1.00116.00 N ATOM 18 H HIS A 0 39.208 78.135 18.463 1.00 0.00 H ATOM 19 N MET A 1 36.698 75.680 20.809 1.00100.32 N ATOM 20 CA MET A 1 35.600 75.853 21.771 1.00 94.71 C ATOM 21 C MET A 1 35.945 75.279 23.143 1.00 94.32 C ATOM 22 O MET A 1 35.483 74.201 23.522 1.00 92.35 O ATOM 23 CB MET A 1 34.322 75.192 21.261 1.00 95.57 C ATOM 24 CG MET A 1 33.095 75.305 22.184 1.00107.30 C ATOM 25 SD MET A 1 31.662 74.714 21.315 1.00120.36 S ATOM 26 CE MET A 1 30.545 74.826 22.725 1.00120.42 C ATOM 27 H MET A 1 37.129 74.738 20.720 1.00 0.00 H ATOM 28 N PRO A 2 36.738 75.979 23.932 1.00 95.08 N ATOM 29 CA PRO A 2 36.959 75.518 25.308 1.00 90.85 C ATOM 30 C PRO A 2 35.657 75.471 26.103 1.00 85.61 C ATOM 31 O PRO A 2 34.622 76.021 25.724 1.00 83.33 O ATOM 32 CB PRO A 2 37.923 76.551 25.887 1.00 95.37 C ATOM 33 CG PRO A 2 38.398 77.364 24.715 1.00 97.64 C ATOM 34 CD PRO A 2 37.484 77.202 23.591 1.00 97.87 C ATOM 35 N GLU A 3 35.718 74.778 27.236 1.00 86.26 N ATOM 36 CA GLU A 3 34.617 74.726 28.197 1.00 87.41 C ATOM 37 C GLU A 3 35.208 74.928 29.580 1.00 88.97 C ATOM 38 O GLU A 3 35.963 74.078 30.052 1.00 99.37 O ATOM 39 CB GLU A 3 33.881 73.390 28.135 1.00 91.34 C ATOM 40 CG GLU A 3 33.234 73.091 26.813 1.00 95.15 C ATOM 41 CD GLU A 3 32.420 71.824 26.855 1.00 88.25 C ATOM 42 OE1 GLU A 3 32.644 71.005 27.768 1.00 85.42 O ATOM 43 OE2 GLU A 3 31.555 71.649 25.979 1.00 84.38 O ATOM 44 H GLU A 3 36.588 74.249 27.448 1.00 0.00 H ATOM 45 N GLU A 4 34.901 76.038 30.232 1.00 77.20 N ATOM 46 CA GLU A 4 35.489 76.255 31.541 1.00 77.54 C ATOM 47 C GLU A 4 34.687 75.443 32.543 1.00 88.10 C ATOM 48 O GLU A 4 33.618 75.861 32.994 1.00 84.19 O ATOM 49 CB GLU A 4 35.518 77.722 31.921 1.00 76.79 C ATOM 50 CG GLU A 4 36.038 77.881 33.327 1.00 81.02 C ATOM 51 CD GLU A 4 36.528 79.295 33.605 1.00 82.92 C ATOM 52 OE1 GLU A 4 36.063 79.910 34.596 1.00 83.88 O ATOM 53 OE2 GLU A 4 37.352 79.814 32.840 1.00 84.76 O ATOM 54 H GLU A 4 34.254 76.738 29.816 1.00 0.00 H ATOM 55 N VAL A 5 35.217 74.269 32.895 1.00 93.31 N ATOM 56 CA VAL A 5 34.532 73.347 33.798 1.00 90.09 C ATOM 57 C VAL A 5 34.647 73.743 35.257 1.00 90.05 C ATOM 58 O VAL A 5 34.101 73.041 36.117 1.00 94.00 O ATOM 59 CB VAL A 5 35.060 71.903 33.665 1.00 94.96 C ATOM 60 CG1 VAL A 5 34.649 71.299 32.329 1.00 98.06 C ATOM 61 CG2 VAL A 5 36.573 71.857 33.831 1.00 96.97 C ATOM 62 H VAL A 5 36.147 74.002 32.514 1.00 0.00 H ATOM 63 N HIS A 6 35.333 74.840 35.570 1.00 88.47 N ATOM 64 CA HIS A 6 35.511 75.223 36.965 1.00 84.23 C ATOM 65 C HIS A 6 36.035 76.649 37.035 1.00 85.57 C ATOM 66 O HIS A 6 36.989 76.994 36.331 1.00 92.04 O ATOM 67 CB HIS A 6 36.469 74.253 37.666 1.00 84.14 C ATOM 68 CG HIS A 6 36.662 74.535 39.122 1.00 80.51 C ATOM 69 ND1 HIS A 6 37.762 75.209 39.608 1.00 80.42 N ATOM 70 CD2 HIS A 6 35.896 74.239 40.197 1.00 76.68 C ATOM 71 CE1 HIS A 6 37.668 75.310 40.921 1.00 79.90 C ATOM 72 NE2 HIS A 6 36.545 74.730 41.302 1.00 77.58 N ATOM 73 H HIS A 6 35.744 75.426 34.816 1.00 0.00 H ATOM 74 N HIS A 7 35.417 77.465 37.885 1.00 84.13 N ATOM 75 CA HIS A 7 35.775 78.864 38.056 1.00 89.45 C ATOM 76 C HIS A 7 36.607 79.066 39.314 1.00 92.22 C ATOM 77 O HIS A 7 36.614 78.236 40.230 1.00 90.83 O ATOM 78 CB HIS A 7 34.523 79.748 38.131 1.00 95.28 C ATOM 79 CG HIS A 7 33.669 79.697 36.905 1.00107.01 C ATOM 80 ND1 HIS A 7 33.210 78.513 36.374 1.00109.23 N ATOM 81 CD2 HIS A 7 33.199 80.680 36.100 1.00114.45 C ATOM 82 CE1 HIS A 7 32.492 78.767 35.295 1.00111.87 C ATOM 83 NE2 HIS A 7 32.473 80.074 35.104 1.00116.20 N ATOM 84 H HIS A 7 34.637 77.082 38.457 1.00 0.00 H ATOM 85 N GLY A 8 37.243 80.239 39.374 1.00 95.07 N ATOM 86 CA GLY A 8 38.214 80.570 40.402 1.00 96.62 C ATOM 87 C GLY A 8 37.681 80.424 41.809 1.00 95.68 C ATOM 88 O GLY A 8 38.429 80.095 42.735 1.00 99.05 O ATOM 89 H GLY A 8 37.032 80.952 38.647 1.00 0.00 H ATOM 90 N GLU A 9 36.377 80.669 41.959 1.00 92.53 N ATOM 91 CA GLU A 9 35.655 80.522 43.212 1.00 87.88 C ATOM 92 C GLU A 9 34.176 80.804 42.964 1.00 90.49 C ATOM 93 O GLU A 9 33.841 81.633 42.109 1.00 91.54 O ATOM 94 CB GLU A 9 36.244 81.455 44.272 1.00 85.37 C ATOM 95 CG GLU A 9 35.932 81.067 45.694 1.00 82.80 C ATOM 96 CD GLU A 9 34.531 81.452 46.105 1.00 77.48 C ATOM 97 OE1 GLU A 9 34.172 82.648 45.984 1.00 74.92 O ATOM 98 OE2 GLU A 9 33.812 80.556 46.590 1.00 75.97 O ATOM 99 H GLU A 9 35.843 80.986 41.125 1.00 0.00 H ATOM 100 N GLU A 10 33.298 80.100 43.688 1.00 93.89 N ATOM 101 CA GLU A 10 31.857 80.257 43.520 1.00 93.34 C ATOM 102 C GLU A 10 31.453 81.710 43.750 1.00 89.38 C ATOM 103 O GLU A 10 31.510 82.222 44.874 1.00 90.74 O ATOM 104 CB GLU A 10 31.099 79.349 44.487 1.00 94.54 C ATOM 105 CG GLU A 10 29.574 79.532 44.441 1.00 94.53 C ATOM 106 CD GLU A 10 28.826 78.651 45.425 1.00 96.22 C ATOM 107 OE1 GLU A 10 29.476 78.046 46.300 1.00 99.45 O ATOM 108 OE2 GLU A 10 27.587 78.561 45.317 1.00 94.81 O ATOM 109 H GLU A 10 33.653 79.421 44.391 1.00 0.00 H ATOM 110 N GLU A 11 31.022 82.378 42.683 1.00 84.38 N ATOM 111 CA GLU A 11 30.798 83.813 42.753 1.00 83.86 C ATOM 112 C GLU A 11 29.450 84.212 43.348 1.00 78.99 C ATOM 113 O GLU A 11 29.300 85.373 43.739 1.00 76.92 O ATOM 114 CB GLU A 11 30.980 84.432 41.364 1.00 83.29 C ATOM 115 CG GLU A 11 32.470 84.615 41.054 1.00 87.36 C ATOM 116 CD GLU A 11 32.733 85.090 39.643 1.00 88.45 C ATOM 117 OE1 GLU A 11 31.755 85.340 38.903 1.00 85.01 O ATOM 118 OE2 GLU A 11 33.921 85.200 39.274 1.00 90.50 O ATOM 119 H GLU A 11 30.844 81.870 41.793 1.00 0.00 H ATOM 120 N VAL A 12 28.477 83.301 43.447 1.00 72.98 N ATOM 121 CA VAL A 12 27.193 83.588 44.085 1.00 63.44 C ATOM 122 C VAL A 12 26.903 82.528 45.142 1.00 60.13 C ATOM 123 O VAL A 12 26.854 81.331 44.835 1.00 64.44 O ATOM 124 CB VAL A 12 26.051 83.661 43.064 1.00 60.85 C ATOM 125 CG1 VAL A 12 24.745 83.908 43.774 1.00 50.40 C ATOM 126 CG2 VAL A 12 26.332 84.769 42.064 1.00 64.87 C ATOM 127 H VAL A 12 28.639 82.351 43.055 1.00 0.00 H ATOM 128 N GLU A 13 26.672 82.966 46.373 1.00 56.30 N ATOM 129 CA GLU A 13 26.371 82.066 47.479 1.00 57.03 C ATOM 130 C GLU A 13 24.977 82.367 48.018 1.00 48.24 C ATOM 131 O GLU A 13 24.600 83.530 48.146 1.00 47.62 O ATOM 132 CB GLU A 13 27.430 82.198 48.597 1.00 64.29 C ATOM 133 CG GLU A 13 28.892 82.011 48.121 1.00 75.04 C ATOM 134 CD GLU A 13 29.942 82.753 48.978 1.00 77.94 C ATOM 135 OE1 GLU A 13 30.680 82.093 49.751 1.00 72.94 O ATOM 136 OE2 GLU A 13 30.039 83.998 48.859 1.00 80.99 O ATOM 137 H GLU A 13 26.707 83.989 46.555 1.00 0.00 H ATOM 138 N THR A 14 24.209 81.322 48.332 1.00 47.35 N ATOM 139 CA THR A 14 22.884 81.474 48.924 1.00 48.43 C ATOM 140 C THR A 14 22.872 80.882 50.326 1.00 44.91 C ATOM 141 O THR A 14 23.391 79.790 50.536 1.00 45.70 O ATOM 142 CB THR A 14 21.802 80.810 48.075 1.00 47.81 C ATOM 143 OG1 THR A 14 21.841 81.350 46.750 1.00 48.54 O ATOM 144 CG2 THR A 14 20.433 81.077 48.672 1.00 42.73 C ATOM 145 HG1 THR A 14 21.140 80.920 46.199 1.00 0.00 H ATOM 146 H THR A 14 24.568 80.363 48.148 1.00 0.00 H ATOM 147 N PHE A 15 22.282 81.605 51.278 1.00 43.57 N ATOM 148 CA PHE A 15 22.179 81.147 52.652 1.00 43.07 C ATOM 149 C PHE A 15 20.773 81.386 53.178 1.00 46.45 C ATOM 150 O PHE A 15 20.067 82.293 52.728 1.00 48.54 O ATOM 151 CB PHE A 15 23.181 81.851 53.570 1.00 44.09 C ATOM 152 CG PHE A 15 24.596 81.814 53.069 1.00 45.22 C ATOM 153 CD1 PHE A 15 25.094 82.854 52.302 1.00 49.03 C ATOM 154 CD2 PHE A 15 25.422 80.744 53.351 1.00 46.70 C ATOM 155 CE1 PHE A 15 26.399 82.838 51.836 1.00 51.66 C ATOM 156 CE2 PHE A 15 26.752 80.708 52.886 1.00 48.65 C ATOM 157 CZ PHE A 15 27.236 81.762 52.127 1.00 51.37 C ATOM 158 H PHE A 15 21.881 82.531 51.027 1.00 0.00 H ATOM 159 N ALA A 16 20.373 80.556 54.133 1.00 42.10 N ATOM 160 CA ALA A 16 19.136 80.780 54.853 1.00 41.05 C ATOM 161 C ALA A 16 19.399 81.730 56.013 1.00 38.93 C ATOM 162 O ALA A 16 20.462 81.689 56.639 1.00 42.10 O ATOM 163 CB ALA A 16 18.558 79.457 55.360 1.00 37.55 C ATOM 164 H ALA A 16 20.958 79.729 54.369 1.00 0.00 H ATOM 165 N PHE A 17 18.437 82.603 56.280 1.00 35.93 N ATOM 166 CA PHE A 17 18.461 83.366 57.514 1.00 35.08 C ATOM 167 C PHE A 17 18.290 82.422 58.685 1.00 36.81 C ATOM 168 O PHE A 17 17.711 81.339 58.551 1.00 39.62 O ATOM 169 CB PHE A 17 17.332 84.390 57.551 1.00 34.24 C ATOM 170 CG PHE A 17 17.498 85.536 56.582 1.00 34.66 C ATOM 171 CD1 PHE A 17 18.308 86.616 56.890 1.00 34.37 C ATOM 172 CD2 PHE A 17 16.810 85.540 55.373 1.00 35.52 C ATOM 173 CE1 PHE A 17 18.441 87.681 55.987 1.00 35.48 C ATOM 174 CE2 PHE A 17 16.942 86.595 54.469 1.00 34.21 C ATOM 175 CZ PHE A 17 17.750 87.665 54.776 1.00 34.64 C ATOM 176 H PHE A 17 17.661 82.741 55.601 1.00 0.00 H ATOM 177 N GLN A 18 18.813 82.824 59.841 1.00 41.04 N ATOM 178 CA GLN A 18 18.333 82.239 61.084 1.00 39.55 C ATOM 179 C GLN A 18 16.808 82.323 61.094 1.00 41.15 C ATOM 180 O GLN A 18 16.223 83.317 60.633 1.00 44.75 O ATOM 181 CB GLN A 18 18.931 82.967 62.295 1.00 33.55 C ATOM 182 CG GLN A 18 20.443 82.875 62.366 1.00 37.32 C ATOM 183 CD GLN A 18 20.936 81.460 62.672 1.00 43.52 C ATOM 184 OE1 GLN A 18 20.596 80.884 63.699 1.00 41.95 O ATOM 185 NE2 GLN A 18 21.749 80.898 61.771 1.00 51.40 N ATOM 186 HE22 GLN A 18 22.014 81.421 60.912 1.00 0.00 H ATOM 187 HE21 GLN A 18 22.117 79.938 61.930 1.00 0.00 H ATOM 188 H GLN A 18 19.558 83.550 59.856 1.00 0.00 H ATOM 189 N ALA A 19 16.171 81.251 61.574 1.00 40.39 N ATOM 190 CA ALA A 19 14.717 81.168 61.549 1.00 41.34 C ATOM 191 C ALA A 19 14.058 82.405 62.157 1.00 38.35 C ATOM 192 O ALA A 19 13.070 82.911 61.622 1.00 38.39 O ATOM 193 CB ALA A 19 14.267 79.906 62.280 1.00 36.38 C ATOM 194 H ALA A 19 16.722 80.464 61.972 1.00 0.00 H ATOM 195 N GLU A 20 14.592 82.906 63.274 1.00 35.90 N ATOM 196 CA GLU A 20 14.012 84.087 63.907 1.00 40.05 C ATOM 197 C GLU A 20 14.037 85.285 62.967 1.00 44.53 C ATOM 198 O GLU A 20 13.044 86.015 62.855 1.00 52.05 O ATOM 199 CB GLU A 20 14.751 84.424 65.211 1.00 40.49 C ATOM 200 CG GLU A 20 14.556 83.399 66.330 1.00 44.49 C ATOM 201 CD GLU A 20 15.560 82.226 66.301 1.00 48.62 C ATOM 202 OE1 GLU A 20 15.586 81.458 67.284 1.00 53.96 O ATOM 203 OE2 GLU A 20 16.314 82.061 65.313 1.00 48.26 O ATOM 204 H GLU A 20 15.427 82.452 63.696 1.00 0.00 H ATOM 205 N ILE A 21 15.169 85.512 62.294 1.00 42.38 N ATOM 206 CA ILE A 21 15.244 86.606 61.329 1.00 40.92 C ATOM 207 C ILE A 21 14.184 86.439 60.244 1.00 38.44 C ATOM 208 O ILE A 21 13.507 87.402 59.871 1.00 32.26 O ATOM 209 CB ILE A 21 16.654 86.704 60.727 1.00 35.22 C ATOM 210 CG1 ILE A 21 17.689 86.898 61.828 1.00 38.65 C ATOM 211 CG2 ILE A 21 16.704 87.827 59.721 1.00 33.30 C ATOM 212 CD1 ILE A 21 19.142 86.860 61.325 1.00 37.71 C ATOM 213 H ILE A 21 15.999 84.908 62.458 1.00 0.00 H ATOM 214 N ALA A 22 14.000 85.210 59.746 1.00 39.72 N ATOM 215 CA ALA A 22 13.016 84.968 58.694 1.00 38.41 C ATOM 216 C ALA A 22 11.592 85.148 59.193 1.00 42.10 C ATOM 217 O ALA A 22 10.738 85.635 58.441 1.00 44.98 O ATOM 218 CB ALA A 22 13.179 83.564 58.111 1.00 31.55 C ATOM 219 H ALA A 22 14.565 84.418 60.113 1.00 0.00 H ATOM 220 N GLN A 23 11.315 84.752 60.442 1.00 40.80 N ATOM 221 CA GLN A 23 10.000 84.986 61.035 1.00 37.54 C ATOM 222 C GLN A 23 9.680 86.472 61.079 1.00 38.20 C ATOM 223 O GLN A 23 8.602 86.902 60.652 1.00 41.36 O ATOM 224 CB GLN A 23 9.940 84.383 62.434 1.00 37.73 C ATOM 225 CG GLN A 23 9.859 82.876 62.422 1.00 48.69 C ATOM 226 CD GLN A 23 10.134 82.252 63.784 1.00 61.97 C ATOM 227 OE1 GLN A 23 10.502 82.945 64.743 1.00 68.19 O ATOM 228 NE2 GLN A 23 9.974 80.931 63.870 1.00 65.78 N ATOM 229 HE22 GLN A 23 9.663 80.390 63.038 1.00 0.00 H ATOM 230 HE21 GLN A 23 10.160 80.442 64.769 1.00 0.00 H ATOM 231 H GLN A 23 12.048 84.270 61.000 1.00 0.00 H ATOM 232 N LEU A 24 10.619 87.278 61.563 1.00 35.64 N ATOM 233 CA LEU A 24 10.420 88.720 61.574 1.00 36.89 C ATOM 234 C LEU A 24 10.172 89.250 60.167 1.00 43.18 C ATOM 235 O LEU A 24 9.221 90.006 59.941 1.00 47.46 O ATOM 236 CB LEU A 24 11.628 89.418 62.202 1.00 37.05 C ATOM 237 CG LEU A 24 11.364 90.915 62.364 1.00 39.51 C ATOM 238 CD1 LEU A 24 10.042 91.145 63.129 1.00 38.11 C ATOM 239 CD2 LEU A 24 12.506 91.632 63.035 1.00 41.71 C ATOM 240 H LEU A 24 11.502 86.876 61.937 1.00 0.00 H ATOM 241 N MET A 25 11.015 88.854 59.201 1.00 39.60 N ATOM 242 CA MET A 25 10.856 89.360 57.839 1.00 37.01 C ATOM 243 C MET A 25 9.499 88.980 57.282 1.00 36.10 C ATOM 244 O MET A 25 8.818 89.798 56.653 1.00 38.87 O ATOM 245 CB MET A 25 11.963 88.830 56.925 1.00 35.19 C ATOM 246 CG MET A 25 13.351 89.381 57.199 1.00 37.71 C ATOM 247 SD MET A 25 14.601 88.526 56.220 1.00 40.07 S ATOM 248 CE MET A 25 14.525 89.441 54.675 1.00 37.37 C ATOM 249 H MET A 25 11.782 88.187 59.421 1.00 0.00 H ATOM 250 N SER A 26 9.085 87.742 57.515 1.00 36.45 N ATOM 251 CA SER A 26 7.783 87.304 57.045 1.00 41.03 C ATOM 252 C SER A 26 6.683 88.110 57.711 1.00 42.37 C ATOM 253 O SER A 26 5.717 88.524 57.060 1.00 48.15 O ATOM 254 CB SER A 26 7.626 85.808 57.328 1.00 50.23 C ATOM 255 OG SER A 26 6.309 85.369 57.071 1.00 60.48 O ATOM 256 HG SER A 26 6.242 84.400 57.263 1.00 0.00 H ATOM 257 H SER A 26 9.696 87.082 58.037 1.00 0.00 H ATOM 258 N LEU A 27 6.833 88.351 59.011 1.00 38.27 N ATOM 259 CA LEU A 27 5.894 89.182 59.747 1.00 45.75 C ATOM 260 C LEU A 27 5.829 90.592 59.159 1.00 55.12 C ATOM 261 O LEU A 27 4.743 91.127 58.902 1.00 50.97 O ATOM 262 CB LEU A 27 6.329 89.223 61.210 1.00 47.85 C ATOM 263 CG LEU A 27 5.323 89.493 62.307 1.00 51.95 C ATOM 264 CD1 LEU A 27 4.261 88.457 62.212 1.00 54.46 C ATOM 265 CD2 LEU A 27 6.036 89.366 63.614 1.00 58.36 C ATOM 266 H LEU A 27 7.643 87.934 59.513 1.00 0.00 H ATOM 267 N ILE A 28 6.994 91.196 58.929 1.00 30.99 N ATOM 268 CA ILE A 28 7.085 92.582 58.478 1.00 30.45 C ATOM 269 C ILE A 28 6.482 92.735 57.085 1.00 46.57 C ATOM 270 O ILE A 28 5.713 93.666 56.817 1.00 42.50 O ATOM 271 CB ILE A 28 8.558 93.040 58.512 1.00 31.16 C ATOM 272 CG1 ILE A 28 9.064 93.208 59.953 1.00 28.92 C ATOM 273 CG2 ILE A 28 8.754 94.341 57.741 1.00 29.25 C ATOM 274 CD1 ILE A 28 10.486 93.818 60.026 1.00 34.15 C ATOM 275 H ILE A 28 7.873 90.660 59.076 1.00 0.00 H ATOM 276 N ILE A 29 6.815 91.814 56.175 1.00 43.91 N ATOM 277 CA ILE A 29 6.412 91.966 54.785 1.00 42.60 C ATOM 278 C ILE A 29 4.945 91.635 54.599 1.00 49.13 C ATOM 279 O ILE A 29 4.358 91.977 53.563 1.00 54.45 O ATOM 280 CB ILE A 29 7.298 91.086 53.875 1.00 40.87 C ATOM 281 CG1 ILE A 29 7.190 91.534 52.413 1.00 41.43 C ATOM 282 CG2 ILE A 29 6.919 89.615 54.006 1.00 36.53 C ATOM 283 CD1 ILE A 29 8.164 90.878 51.494 1.00 42.33 C ATOM 284 H ILE A 29 7.367 90.981 56.463 1.00 0.00 H ATOM 285 N ASN A 30 4.324 90.971 55.575 1.00 44.86 N ATOM 286 CA ASN A 30 2.942 90.551 55.413 1.00 47.21 C ATOM 287 C ASN A 30 1.944 91.328 56.257 1.00 48.52 C ATOM 288 O ASN A 30 0.749 91.263 55.963 1.00 46.18 O ATOM 289 CB ASN A 30 2.799 89.057 55.719 1.00 37.32 C ATOM 290 CG ASN A 30 3.294 88.187 54.569 1.00 58.67 C ATOM 291 OD1 ASN A 30 4.251 87.399 54.716 1.00 50.84 O ATOM 292 ND2 ASN A 30 2.653 88.337 53.405 1.00 51.49 N ATOM 293 HD22 ASN A 30 1.860 89.006 53.330 1.00 0.00 H ATOM 294 HD21 ASN A 30 2.947 87.784 52.574 1.00 0.00 H ATOM 295 H ASN A 30 4.831 90.753 56.456 1.00 0.00 H ATOM 296 N THR A 31 2.377 92.055 57.286 1.00 51.96 N ATOM 297 CA THR A 31 1.357 92.677 58.115 1.00 59.79 C ATOM 298 C THR A 31 1.059 94.079 57.643 1.00 55.03 C ATOM 299 O THR A 31 1.834 94.707 56.917 1.00 61.43 O ATOM 300 CB THR A 31 1.740 92.764 59.594 1.00 66.65 C ATOM 301 OG1 THR A 31 2.838 93.673 59.744 1.00 70.41 O ATOM 302 CG2 THR A 31 2.054 91.382 60.174 1.00 69.33 C ATOM 303 HG1 THR A 31 3.611 93.345 59.219 1.00 0.00 H ATOM 304 H THR A 31 3.391 92.172 57.486 1.00 0.00 H ATOM 305 N PHE A 32 -0.095 94.557 58.079 1.00 44.76 N ATOM 306 CA PHE A 32 -0.454 95.954 57.972 1.00 42.86 C ATOM 307 C PHE A 32 0.247 96.741 59.071 1.00 42.76 C ATOM 308 O PHE A 32 0.276 96.331 60.238 1.00 40.04 O ATOM 309 CB PHE A 32 -1.971 96.110 58.079 1.00 45.37 C ATOM 310 CG PHE A 32 -2.438 97.533 58.084 1.00 48.01 C ATOM 311 CD1 PHE A 32 -2.412 98.276 59.254 1.00 48.15 C ATOM 312 CD2 PHE A 32 -2.923 98.126 56.930 1.00 46.83 C ATOM 313 CE1 PHE A 32 -2.836 99.579 59.273 1.00 49.47 C ATOM 314 CE2 PHE A 32 -3.340 99.445 56.941 1.00 45.39 C ATOM 315 CZ PHE A 32 -3.300 100.167 58.124 1.00 47.87 C ATOM 316 H PHE A 32 -0.772 93.901 58.517 1.00 0.00 H ATOM 317 N TYR A 33 0.828 97.867 58.692 1.00 40.61 N ATOM 318 CA TYR A 33 1.229 98.880 59.645 1.00 39.82 C ATOM 319 C TYR A 33 0.739 100.209 59.096 1.00 46.07 C ATOM 320 O TYR A 33 0.773 100.435 57.882 1.00 45.32 O ATOM 321 CB TYR A 33 2.731 98.864 59.871 1.00 38.17 C ATOM 322 CG TYR A 33 3.183 99.840 60.939 1.00 42.43 C ATOM 323 CD1 TYR A 33 2.774 99.696 62.245 1.00 43.55 C ATOM 324 CD2 TYR A 33 4.005 100.916 60.625 1.00 45.86 C ATOM 325 CE1 TYR A 33 3.175 100.572 63.219 1.00 49.13 C ATOM 326 CE2 TYR A 33 4.408 101.812 61.592 1.00 47.98 C ATOM 327 CZ TYR A 33 3.995 101.627 62.890 1.00 52.50 C ATOM 328 OH TYR A 33 4.386 102.509 63.865 1.00 59.42 O ATOM 329 HH TYR A 33 4.003 102.230 64.734 1.00 0.00 H ATOM 330 H TYR A 33 1.002 98.029 57.680 1.00 0.00 H ATOM 331 N SER A 34 0.226 101.064 59.986 1.00 42.64 N ATOM 332 CA SER A 34 -0.463 102.277 59.560 1.00 43.63 C ATOM 333 C SER A 34 0.490 103.396 59.175 1.00 44.94 C ATOM 334 O SER A 34 0.038 104.439 58.703 1.00 51.04 O ATOM 335 CB SER A 34 -1.385 102.784 60.674 1.00 44.84 C ATOM 336 OG SER A 34 -0.608 103.250 61.770 1.00 45.58 O ATOM 337 HG SER A 34 -1.210 103.576 62.485 1.00 0.00 H ATOM 338 H SER A 34 0.320 100.861 61.002 1.00 0.00 H ATOM 339 N ASN A 35 1.787 103.235 59.399 1.00 45.38 N ATOM 340 CA ASN A 35 2.726 104.332 59.233 1.00 52.98 C ATOM 341 C ASN A 35 4.043 103.770 58.700 1.00 50.76 C ATOM 342 O ASN A 35 5.101 103.878 59.320 1.00 54.11 O ATOM 343 CB ASN A 35 2.911 105.081 60.555 1.00 62.32 C ATOM 344 CG ASN A 35 3.156 106.572 60.360 1.00 73.84 C ATOM 345 OD1 ASN A 35 2.400 107.269 59.665 1.00 80.10 O ATOM 346 ND2 ASN A 35 4.228 107.069 60.968 1.00 74.62 N ATOM 347 HD22 ASN A 35 4.835 106.449 61.541 1.00 0.00 H ATOM 348 HD21 ASN A 35 4.460 108.078 60.871 1.00 0.00 H ATOM 349 H ASN A 35 2.140 102.304 59.700 1.00 0.00 H ATOM 350 N LYS A 36 3.973 103.153 57.516 1.00 49.50 N ATOM 351 CA LYS A 36 5.135 102.454 56.976 1.00 42.75 C ATOM 352 C LYS A 36 6.297 103.395 56.667 1.00 43.73 C ATOM 353 O LYS A 36 7.433 102.930 56.542 1.00 43.16 O ATOM 354 CB LYS A 36 4.731 101.664 55.733 1.00 38.60 C ATOM 355 CG LYS A 36 3.965 100.396 56.041 1.00 38.26 C ATOM 356 CD LYS A 36 3.184 99.922 54.841 1.00 53.43 C ATOM 357 CE LYS A 36 2.631 98.517 55.041 1.00 66.64 C ATOM 358 NZ LYS A 36 3.257 97.590 54.051 1.00 76.25 N ATOM 359 HZ1 LYS A 36 3.039 97.915 53.087 1.00 0.00 H ATOM 360 HZ2 LYS A 36 4.288 97.581 54.190 1.00 0.00 H ATOM 361 HZ3 LYS A 36 2.879 96.631 54.188 1.00 0.00 H ATOM 362 H LYS A 36 3.084 103.171 56.976 1.00 0.00 H ATOM 363 N GLU A 37 6.057 104.709 56.603 1.00 44.45 N ATOM 364 CA GLU A 37 7.131 105.677 56.361 1.00 43.55 C ATOM 365 C GLU A 37 8.298 105.540 57.335 1.00 44.88 C ATOM 366 O GLU A 37 9.367 106.095 57.074 1.00 47.08 O ATOM 367 CB GLU A 37 6.583 107.109 56.438 1.00 47.54 C ATOM 368 CG GLU A 37 6.219 107.557 57.858 1.00 60.85 C ATOM 369 CD GLU A 37 5.255 108.747 57.901 1.00 77.69 C ATOM 370 OE1 GLU A 37 4.938 109.315 56.832 1.00 86.46 O ATOM 371 OE2 GLU A 37 4.811 109.115 59.011 1.00 83.10 O ATOM 372 H GLU A 37 5.084 105.053 56.728 1.00 0.00 H ATOM 373 N ILE A 38 8.130 104.839 58.458 1.00 46.92 N ATOM 374 CA ILE A 38 9.230 104.735 59.409 1.00 43.55 C ATOM 375 C ILE A 38 10.412 103.999 58.821 1.00 39.04 C ATOM 376 O ILE A 38 11.514 104.091 59.372 1.00 37.18 O ATOM 377 CB ILE A 38 8.816 104.028 60.713 1.00 44.11 C ATOM 378 CG1 ILE A 38 8.324 102.613 60.396 1.00 44.88 C ATOM 379 CG2 ILE A 38 7.803 104.854 61.468 1.00 47.02 C ATOM 380 CD1 ILE A 38 8.282 101.710 61.572 1.00 47.69 C ATOM 381 H ILE A 38 7.222 104.371 58.653 1.00 0.00 H ATOM 382 N PHE A 39 10.207 103.245 57.731 1.00 33.80 N ATOM 383 CA PHE A 39 11.314 102.525 57.100 1.00 28.95 C ATOM 384 C PHE A 39 12.444 103.474 56.732 1.00 35.95 C ATOM 385 O PHE A 39 13.621 103.118 56.844 1.00 42.18 O ATOM 386 CB PHE A 39 10.832 101.780 55.851 1.00 26.22 C ATOM 387 CG PHE A 39 10.834 102.636 54.593 1.00 27.61 C ATOM 388 CD1 PHE A 39 9.717 103.391 54.242 1.00 35.64 C ATOM 389 CD2 PHE A 39 11.951 102.700 53.783 1.00 25.59 C ATOM 390 CE1 PHE A 39 9.707 104.188 53.093 1.00 35.72 C ATOM 391 CE2 PHE A 39 11.952 103.495 52.646 1.00 36.90 C ATOM 392 CZ PHE A 39 10.818 104.247 52.302 1.00 35.91 C ATOM 393 H PHE A 39 9.250 103.171 57.330 1.00 0.00 H ATOM 394 N LEU A 40 12.113 104.681 56.271 1.00 38.50 N ATOM 395 CA LEU A 40 13.169 105.606 55.872 1.00 45.99 C ATOM 396 C LEU A 40 13.930 106.118 57.085 1.00 50.75 C ATOM 397 O LEU A 40 15.152 106.285 57.031 1.00 60.06 O ATOM 398 CB LEU A 40 12.587 106.768 55.076 1.00 45.85 C ATOM 399 CG LEU A 40 13.602 107.599 54.299 1.00 40.28 C ATOM 400 CD1 LEU A 40 14.110 106.856 53.094 1.00 34.56 C ATOM 401 CD2 LEU A 40 12.904 108.861 53.856 1.00 45.04 C ATOM 402 H LEU A 40 11.114 104.960 56.197 1.00 0.00 H ATOM 403 N ARG A 41 13.224 106.369 58.191 1.00 41.84 N ATOM 404 CA ARG A 41 13.898 106.734 59.432 1.00 39.67 C ATOM 405 C ARG A 41 14.906 105.669 59.852 1.00 40.69 C ATOM 406 O ARG A 41 16.019 105.990 60.284 1.00 48.24 O ATOM 407 CB ARG A 41 12.875 106.950 60.532 1.00 39.66 C ATOM 408 CG ARG A 41 13.481 107.200 61.864 1.00 43.12 C ATOM 409 CD ARG A 41 12.416 107.187 62.938 1.00 51.92 C ATOM 410 NE ARG A 41 11.931 105.831 63.170 1.00 58.16 N ATOM 411 CZ ARG A 41 10.903 105.522 63.955 1.00 61.44 C ATOM 412 NH1 ARG A 41 10.228 106.479 64.578 1.00 61.75 N ATOM 413 NH2 ARG A 41 10.539 104.252 64.103 1.00 63.49 N ATOM 414 HE ARG A 41 12.423 105.052 62.688 1.00 0.00 H ATOM 415 HH12 ARG A 41 9.425 106.234 65.191 1.00 0.00 H ATOM 416 HH11 ARG A 41 10.502 107.474 64.453 1.00 0.00 H ATOM 417 HH22 ARG A 41 9.735 104.010 64.717 1.00 0.00 H ATOM 418 HH21 ARG A 41 11.058 103.501 63.605 1.00 0.00 H ATOM 419 H ARG A 41 12.186 106.304 58.167 1.00 0.00 H ATOM 420 N GLU A 42 14.545 104.394 59.710 1.00 39.88 N ATOM 421 CA GLU A 42 15.432 103.321 60.152 1.00 39.22 C ATOM 422 C GLU A 42 16.689 103.238 59.291 1.00 42.87 C ATOM 423 O GLU A 42 17.801 103.096 59.820 1.00 46.71 O ATOM 424 CB GLU A 42 14.677 102.001 60.157 1.00 36.27 C ATOM 425 CG GLU A 42 13.524 102.008 61.134 1.00 46.84 C ATOM 426 CD GLU A 42 13.962 102.402 62.537 1.00 60.10 C ATOM 427 OE1 GLU A 42 13.201 103.104 63.240 1.00 66.10 O ATOM 428 OE2 GLU A 42 15.077 102.007 62.941 1.00 68.02 O ATOM 429 H GLU A 42 13.626 104.162 59.282 1.00 0.00 H ATOM 430 N LEU A 43 16.538 103.367 57.968 1.00 35.75 N ATOM 431 CA LEU A 43 17.695 103.329 57.090 1.00 34.97 C ATOM 432 C LEU A 43 18.590 104.544 57.310 1.00 39.16 C ATOM 433 O LEU A 43 19.820 104.421 57.423 1.00 41.84 O ATOM 434 CB LEU A 43 17.238 103.260 55.636 1.00 39.18 C ATOM 435 CG LEU A 43 16.265 102.160 55.238 1.00 37.74 C ATOM 436 CD1 LEU A 43 15.946 102.213 53.749 1.00 36.77 C ATOM 437 CD2 LEU A 43 16.829 100.828 55.601 1.00 29.88 C ATOM 438 H LEU A 43 15.587 103.495 57.566 1.00 0.00 H ATOM 439 N ILE A 44 17.997 105.734 57.353 1.00 39.05 N ATOM 440 CA ILE A 44 18.788 106.927 57.631 1.00 42.45 C ATOM 441 C ILE A 44 19.498 106.793 58.974 1.00 43.21 C ATOM 442 O ILE A 44 20.633 107.259 59.146 1.00 44.98 O ATOM 443 CB ILE A 44 17.894 108.178 57.573 1.00 41.69 C ATOM 444 CG1 ILE A 44 17.509 108.479 56.118 1.00 41.19 C ATOM 445 CG2 ILE A 44 18.574 109.346 58.238 1.00 33.11 C ATOM 446 CD1 ILE A 44 16.347 109.457 56.000 1.00 43.51 C ATOM 447 H ILE A 44 16.973 105.813 57.189 1.00 0.00 H ATOM 448 N SER A 45 18.866 106.115 59.933 1.00 40.35 N ATOM 449 CA SER A 45 19.509 105.952 61.227 1.00 42.50 C ATOM 450 C SER A 45 20.734 105.051 61.125 1.00 42.16 C ATOM 451 O SER A 45 21.775 105.333 61.738 1.00 44.17 O ATOM 452 CB SER A 45 18.518 105.400 62.244 1.00 46.74 C ATOM 453 OG SER A 45 19.168 105.180 63.481 1.00 52.15 O ATOM 454 HG SER A 45 18.517 104.822 64.135 1.00 0.00 H ATOM 455 H SER A 45 17.925 105.708 59.758 1.00 0.00 H ATOM 456 N ASN A 46 20.631 103.960 60.356 1.00 38.82 N ATOM 457 CA ASN A 46 21.786 103.087 60.185 1.00 45.60 C ATOM 458 C ASN A 46 22.887 103.783 59.395 1.00 48.72 C ATOM 459 O ASN A 46 24.072 103.629 59.706 1.00 51.66 O ATOM 460 CB ASN A 46 21.362 101.777 59.525 1.00 49.35 C ATOM 461 CG ASN A 46 20.846 100.763 60.533 1.00 54.46 C ATOM 462 OD1 ASN A 46 21.200 100.820 61.712 1.00 62.82 O ATOM 463 ND2 ASN A 46 20.006 99.839 60.082 1.00 51.50 N ATOM 464 HD22 ASN A 46 19.734 99.829 59.078 1.00 0.00 H ATOM 465 HD21 ASN A 46 19.620 99.126 60.733 1.00 0.00 H ATOM 466 H ASN A 46 19.732 103.736 59.883 1.00 0.00 H ATOM 467 N ALA A 47 22.513 104.591 58.405 1.00 45.51 N ATOM 468 CA ALA A 47 23.501 105.329 57.632 1.00 41.54 C ATOM 469 C ALA A 47 24.250 106.339 58.494 1.00 48.51 C ATOM 470 O ALA A 47 25.480 106.468 58.386 1.00 48.10 O ATOM 471 CB ALA A 47 22.819 106.034 56.462 1.00 40.94 C ATOM 472 H ALA A 47 21.503 104.696 58.181 1.00 0.00 H ATOM 473 N SER A 48 23.519 107.087 59.330 1.00 48.14 N ATOM 474 CA SER A 48 24.159 108.031 60.242 1.00 50.41 C ATOM 475 C SER A 48 25.211 107.344 61.111 1.00 52.32 C ATOM 476 O SER A 48 26.295 107.898 61.340 1.00 52.76 O ATOM 477 CB SER A 48 23.098 108.708 61.118 1.00 50.71 C ATOM 478 OG SER A 48 23.690 109.518 62.131 1.00 57.15 O ATOM 479 HG SER A 48 22.977 109.938 62.675 1.00 0.00 H ATOM 480 H SER A 48 22.483 106.995 59.330 1.00 0.00 H ATOM 481 N ASP A 49 24.908 106.140 61.611 1.00 49.15 N ATOM 482 CA ASP A 49 25.844 105.453 62.498 1.00 50.53 C ATOM 483 C ASP A 49 27.078 105.005 61.738 1.00 53.22 C ATOM 484 O ASP A 49 28.210 105.122 62.236 1.00 56.39 O ATOM 485 CB ASP A 49 25.170 104.255 63.155 1.00 53.59 C ATOM 486 CG ASP A 49 24.093 104.661 64.128 1.00 60.18 C ATOM 487 OD1 ASP A 49 24.125 105.829 64.579 1.00 64.54 O ATOM 488 OD2 ASP A 49 23.228 103.811 64.448 1.00 62.75 O ATOM 489 H ASP A 49 24.002 105.691 61.367 1.00 0.00 H ATOM 490 N ALA A 50 26.871 104.484 60.531 1.00 46.93 N ATOM 491 CA ALA A 50 27.992 104.115 59.684 1.00 48.72 C ATOM 492 C ALA A 50 28.862 105.328 59.386 1.00 49.23 C ATOM 493 O ALA A 50 30.092 105.217 59.315 1.00 53.89 O ATOM 494 CB ALA A 50 27.480 103.473 58.393 1.00 46.43 C ATOM 495 H ALA A 50 25.899 104.340 60.191 1.00 0.00 H ATOM 496 N LEU A 51 28.237 106.499 59.226 1.00 46.56 N ATOM 497 CA LEU A 51 28.993 107.722 58.979 1.00 47.23 C ATOM 498 C LEU A 51 29.737 108.169 60.225 1.00 54.12 C ATOM 499 O LEU A 51 30.866 108.658 60.131 1.00 64.82 O ATOM 500 CB LEU A 51 28.071 108.840 58.499 1.00 48.88 C ATOM 501 CG LEU A 51 27.539 108.667 57.082 1.00 50.70 C ATOM 502 CD1 LEU A 51 26.260 109.494 56.898 1.00 50.87 C ATOM 503 CD2 LEU A 51 28.609 109.075 56.095 1.00 48.87 C ATOM 504 H LEU A 51 27.199 106.539 59.278 1.00 0.00 H ATOM 505 N ASP A 52 29.119 108.032 61.401 1.00 50.35 N ATOM 506 CA ASP A 52 29.852 108.312 62.635 1.00 57.45 C ATOM 507 C ASP A 52 31.074 107.416 62.758 1.00 60.79 C ATOM 508 O ASP A 52 32.137 107.868 63.201 1.00 61.36 O ATOM 509 CB ASP A 52 28.966 108.120 63.870 1.00 58.26 C ATOM 510 CG ASP A 52 27.838 109.132 63.965 1.00 69.87 C ATOM 511 OD1 ASP A 52 27.854 110.156 63.246 1.00 75.91 O ATOM 512 OD2 ASP A 52 26.930 108.898 64.788 1.00 73.58 O ATOM 513 H ASP A 52 28.125 107.729 61.439 1.00 0.00 H ATOM 514 N LYS A 53 30.942 106.148 62.355 1.00 62.04 N ATOM 515 CA LYS A 53 32.010 105.175 62.553 1.00 65.73 C ATOM 516 C LYS A 53 33.248 105.545 61.742 1.00 71.78 C ATOM 517 O LYS A 53 34.358 105.582 62.283 1.00 79.86 O ATOM 518 CB LYS A 53 31.500 103.775 62.206 1.00 65.67 C ATOM 519 CG LYS A 53 32.413 102.610 62.599 1.00 70.26 C ATOM 520 CD LYS A 53 32.751 102.606 64.074 1.00 78.11 C ATOM 521 CE LYS A 53 33.939 101.667 64.356 1.00 87.55 C ATOM 522 NZ LYS A 53 33.614 100.290 63.879 1.00 90.70 N ATOM 523 HZ1 LYS A 53 32.771 99.941 64.379 1.00 0.00 H ATOM 524 HZ2 LYS A 53 33.427 100.314 62.856 1.00 0.00 H ATOM 525 HZ3 LYS A 53 34.418 99.659 64.071 1.00 0.00 H ATOM 526 H LYS A 53 30.060 105.850 61.891 1.00 0.00 H ATOM 527 N ILE A 54 33.083 105.856 60.449 1.00 70.69 N ATOM 528 CA ILE A 54 34.248 106.288 59.671 1.00 73.74 C ATOM 529 C ILE A 54 34.705 107.674 60.116 1.00 79.79 C ATOM 530 O ILE A 54 35.905 107.982 60.091 1.00 86.53 O ATOM 531 CB ILE A 54 33.969 106.242 58.154 1.00 66.75 C ATOM 532 CG1 ILE A 54 35.253 106.525 57.358 1.00 67.34 C ATOM 533 CG2 ILE A 54 32.905 107.257 57.756 1.00 62.86 C ATOM 534 CD1 ILE A 54 36.331 105.517 57.545 1.00 67.94 C ATOM 535 H ILE A 54 32.145 105.792 60.005 1.00 0.00 H ATOM 536 N ARG A 55 33.778 108.524 60.561 1.00 78.61 N ATOM 537 CA ARG A 55 34.181 109.841 61.040 1.00 77.75 C ATOM 538 C ARG A 55 35.092 109.736 62.253 1.00 80.35 C ATOM 539 O ARG A 55 36.046 110.507 62.385 1.00 91.20 O ATOM 540 CB ARG A 55 32.963 110.691 61.377 1.00 77.89 C ATOM 541 CG ARG A 55 33.353 111.997 62.025 1.00 84.85 C ATOM 542 CD ARG A 55 32.249 112.596 62.868 1.00 87.05 C ATOM 543 NE ARG A 55 31.232 113.282 62.079 1.00 86.30 N ATOM 544 CZ ARG A 55 31.448 114.378 61.356 1.00 91.18 C ATOM 545 NH1 ARG A 55 32.658 114.923 61.288 1.00 94.75 N ATOM 546 NH2 ARG A 55 30.447 114.932 60.688 1.00 91.82 N ATOM 547 HE ARG A 55 30.270 112.887 62.082 1.00 0.00 H ATOM 548 HH12 ARG A 55 32.811 115.780 60.719 1.00 0.00 H ATOM 549 HH11 ARG A 55 33.452 114.493 61.804 1.00 0.00 H ATOM 550 HH22 ARG A 55 30.611 115.789 60.122 1.00 0.00 H ATOM 551 HH21 ARG A 55 29.497 114.510 60.730 1.00 0.00 H ATOM 552 H ARG A 55 32.775 108.249 60.566 1.00 0.00 H ATOM 553 N TYR A 56 34.838 108.784 63.144 1.00 77.09 N ATOM 554 CA TYR A 56 35.663 108.735 64.347 1.00 84.93 C ATOM 555 C TYR A 56 37.022 108.105 64.063 1.00 92.51 C ATOM 556 O TYR A 56 38.035 108.541 64.617 1.00105.22 O ATOM 557 CB TYR A 56 34.931 107.996 65.465 1.00 85.81 C ATOM 558 CG TYR A 56 33.612 108.647 65.828 1.00 84.09 C ATOM 559 CD1 TYR A 56 33.311 109.941 65.414 1.00 82.09 C ATOM 560 CD2 TYR A 56 32.670 107.970 66.581 1.00 79.19 C ATOM 561 CE1 TYR A 56 32.109 110.534 65.736 1.00 78.05 C ATOM 562 CE2 TYR A 56 31.465 108.557 66.912 1.00 75.15 C ATOM 563 CZ TYR A 56 31.191 109.837 66.487 1.00 74.91 C ATOM 564 OH TYR A 56 29.990 110.422 66.817 1.00 72.96 O ATOM 565 HH TYR A 56 29.953 111.335 66.436 1.00 0.00 H ATOM 566 H TYR A 56 34.075 108.095 62.989 1.00 0.00 H ATOM 567 N GLU A 57 37.073 107.103 63.185 1.00 87.65 N ATOM 568 CA GLU A 57 38.355 106.560 62.766 1.00 91.61 C ATOM 569 C GLU A 57 39.161 107.560 61.948 1.00 94.15 C ATOM 570 O GLU A 57 40.395 107.491 61.953 1.00103.31 O ATOM 571 CB GLU A 57 38.139 105.278 61.971 1.00 93.60 C ATOM 572 CG GLU A 57 37.478 104.175 62.777 1.00 96.38 C ATOM 573 CD GLU A 57 37.441 102.836 62.052 1.00100.85 C ATOM 574 OE1 GLU A 57 38.189 102.647 61.070 1.00102.98 O ATOM 575 OE2 GLU A 57 36.655 101.964 62.472 1.00106.68 O ATOM 576 H GLU A 57 36.192 106.708 62.798 1.00 0.00 H ATOM 577 N SER A 58 38.494 108.482 61.246 1.00 86.69 N ATOM 578 CA SER A 58 39.201 109.548 60.541 1.00 91.37 C ATOM 579 C SER A 58 39.863 110.537 61.485 1.00 93.38 C ATOM 580 O SER A 58 40.763 111.264 61.057 1.00 94.85 O ATOM 581 CB SER A 58 38.253 110.323 59.634 1.00 95.27 C ATOM 582 OG SER A 58 37.386 111.168 60.367 1.00 99.61 O ATOM 583 HG SER A 58 36.842 110.622 60.988 1.00 0.00 H ATOM 584 H SER A 58 37.456 108.439 61.201 1.00 0.00 H ATOM 585 N LEU A 59 39.400 110.636 62.734 1.00 97.66 N ATOM 586 CA LEU A 59 40.134 111.431 63.710 1.00104.80 C ATOM 587 C LEU A 59 41.538 110.875 63.882 1.00114.20 C ATOM 588 O LEU A 59 42.526 111.618 63.868 1.00115.49 O ATOM 589 CB LEU A 59 39.398 111.451 65.050 1.00 99.11 C ATOM 590 CG LEU A 59 37.955 111.956 65.088 1.00 90.24 C ATOM 591 CD1 LEU A 59 37.445 111.969 66.521 1.00 88.83 C ATOM 592 CD2 LEU A 59 37.851 113.337 64.463 1.00 89.35 C ATOM 593 H LEU A 59 38.523 110.149 63.008 1.00 0.00 H ATOM 594 N THR A 60 41.640 109.552 64.000 1.00118.88 N ATOM 595 CA THR A 60 42.898 108.871 64.267 1.00126.19 C ATOM 596 C THR A 60 43.669 108.529 62.996 1.00126.26 C ATOM 597 O THR A 60 44.904 108.528 63.019 1.00131.26 O ATOM 598 CB THR A 60 42.621 107.607 65.090 1.00127.39 C ATOM 599 OG1 THR A 60 42.156 107.987 66.391 1.00130.43 O ATOM 600 CG2 THR A 60 43.868 106.751 65.241 1.00130.76 C ATOM 601 HG1 THR A 60 41.976 107.174 66.926 1.00 0.00 H ATOM 602 H THR A 60 40.779 108.978 63.896 1.00 0.00 H ATOM 603 N ASP A 61 42.989 108.272 61.878 1.00109.11 N ATOM 604 CA ASP A 61 43.671 107.977 60.618 1.00106.40 C ATOM 605 C ASP A 61 43.035 108.743 59.460 1.00104.55 C ATOM 606 O ASP A 61 42.077 108.273 58.835 1.00 98.33 O ATOM 607 CB ASP A 61 43.684 106.474 60.337 1.00 99.04 C ATOM 608 CG ASP A 61 44.653 106.099 59.230 1.00 99.23 C ATOM 609 OD1 ASP A 61 45.519 106.934 58.900 1.00104.32 O ATOM 610 OD2 ASP A 61 44.558 104.977 58.691 1.00 94.94 O ATOM 611 H ASP A 61 41.949 108.282 61.903 1.00 0.00 H ATOM 612 N PRO A 62 43.554 109.948 59.149 1.00110.43 N ATOM 613 CA PRO A 62 43.114 110.672 57.942 1.00111.52 C ATOM 614 C PRO A 62 43.199 109.892 56.633 1.00110.28 C ATOM 615 O PRO A 62 42.590 110.293 55.635 1.00107.60 O ATOM 616 CB PRO A 62 44.064 111.876 57.913 1.00115.33 C ATOM 617 CG PRO A 62 44.291 112.170 59.349 1.00115.70 C ATOM 618 CD PRO A 62 44.329 110.822 60.050 1.00113.65 C ATOM 619 N SER A 63 43.959 108.795 56.605 1.00108.72 N ATOM 620 CA SER A 63 44.054 107.984 55.398 1.00 99.23 C ATOM 621 C SER A 63 42.831 107.100 55.177 1.00 89.39 C ATOM 622 O SER A 63 42.713 106.489 54.112 1.00 86.50 O ATOM 623 CB SER A 63 45.322 107.124 55.445 1.00 97.30 C ATOM 624 OG SER A 63 45.384 106.239 54.341 1.00 95.34 O ATOM 625 HG SER A 63 44.596 105.640 54.355 1.00 0.00 H ATOM 626 H SER A 63 44.490 108.516 57.455 1.00 0.00 H ATOM 627 N LYS A 64 41.919 107.019 56.143 1.00 85.44 N ATOM 628 CA LYS A 64 40.712 106.226 55.944 1.00 84.94 C ATOM 629 C LYS A 64 39.700 106.919 55.054 1.00 84.21 C ATOM 630 O LYS A 64 38.602 106.386 54.864 1.00 80.80 O ATOM 631 CB LYS A 64 40.063 105.895 57.284 1.00 84.01 C ATOM 632 CG LYS A 64 41.010 105.282 58.286 1.00 86.01 C ATOM 633 CD LYS A 64 40.535 103.919 58.749 1.00 81.60 C ATOM 634 CE LYS A 64 41.253 103.497 60.020 1.00 80.42 C ATOM 635 NZ LYS A 64 40.632 102.296 60.631 1.00 74.62 N ATOM 636 HZ1 LYS A 64 39.641 102.503 60.869 1.00 0.00 H ATOM 637 HZ2 LYS A 64 40.671 101.506 59.956 1.00 0.00 H ATOM 638 HZ3 LYS A 64 41.151 102.041 61.495 1.00 0.00 H ATOM 639 H LYS A 64 42.068 107.522 57.041 1.00 0.00 H ATOM 640 N LEU A 65 40.042 108.086 54.510 1.00 86.22 N ATOM 641 CA LEU A 65 39.154 108.826 53.626 1.00 84.74 C ATOM 642 C LEU A 65 39.739 109.011 52.239 1.00 88.48 C ATOM 643 O LEU A 65 39.109 109.680 51.413 1.00 86.38 O ATOM 644 CB LEU A 65 38.798 110.199 54.202 1.00 87.83 C ATOM 645 CG LEU A 65 37.850 110.205 55.392 1.00 89.96 C ATOM 646 CD1 LEU A 65 38.649 109.762 56.559 1.00 95.55 C ATOM 647 CD2 LEU A 65 37.264 111.581 55.635 1.00 89.12 C ATOM 648 H LEU A 65 40.979 108.483 54.725 1.00 0.00 H ATOM 649 N ASP A 66 40.928 108.456 51.959 1.00 95.74 N ATOM 650 CA ASP A 66 41.391 108.393 50.574 1.00 99.47 C ATOM 651 C ASP A 66 40.320 107.777 49.686 1.00 93.23 C ATOM 652 O ASP A 66 40.291 108.021 48.474 1.00 92.73 O ATOM 653 CB ASP A 66 42.691 107.585 50.461 1.00102.80 C ATOM 654 CG ASP A 66 43.913 108.361 50.902 1.00106.96 C ATOM 655 OD1 ASP A 66 44.542 109.023 50.049 1.00110.52 O ATOM 656 OD2 ASP A 66 44.259 108.293 52.098 1.00106.81 O ATOM 657 H ASP A 66 41.518 108.072 52.725 1.00 0.00 H ATOM 658 N SER A 67 39.426 106.986 50.281 1.00 88.12 N ATOM 659 CA SER A 67 38.274 106.416 49.603 1.00 84.39 C ATOM 660 C SER A 67 37.111 107.395 49.452 1.00 83.33 C ATOM 661 O SER A 67 36.134 107.060 48.770 1.00 81.75 O ATOM 662 CB SER A 67 37.815 105.178 50.368 1.00 83.42 C ATOM 663 OG SER A 67 37.736 105.448 51.762 1.00 85.06 O ATOM 664 HG SER A 67 37.437 104.633 52.238 1.00 0.00 H ATOM 665 H SER A 67 39.561 106.764 51.288 1.00 0.00 H ATOM 666 N GLY A 68 37.179 108.580 50.067 1.00 82.10 N ATOM 667 CA GLY A 68 36.114 109.566 49.958 1.00 78.53 C ATOM 668 C GLY A 68 35.929 110.429 51.193 1.00 78.56 C ATOM 669 O GLY A 68 35.596 109.921 52.271 1.00 73.23 O ATOM 670 H GLY A 68 38.017 108.804 50.640 1.00 0.00 H ATOM 671 N LYS A 69 36.122 111.745 51.043 1.00 84.21 N ATOM 672 CA LYS A 69 36.178 112.654 52.185 1.00 85.19 C ATOM 673 C LYS A 69 34.825 113.236 52.584 1.00 83.85 C ATOM 674 O LYS A 69 34.727 113.825 53.664 1.00 90.96 O ATOM 675 CB LYS A 69 37.164 113.802 51.904 1.00 88.13 C ATOM 676 CG LYS A 69 38.620 113.358 51.766 1.00 88.22 C ATOM 677 CD LYS A 69 39.565 114.542 51.669 1.00 93.94 C ATOM 678 CE LYS A 69 41.010 114.077 51.553 1.00 97.10 C ATOM 679 NZ LYS A 69 41.485 113.380 52.782 1.00 96.38 N ATOM 680 HZ1 LYS A 69 41.420 114.028 53.593 1.00 0.00 H ATOM 681 HZ2 LYS A 69 40.892 112.544 52.956 1.00 0.00 H ATOM 682 HZ3 LYS A 69 42.473 113.084 52.651 1.00 0.00 H ATOM 683 H LYS A 69 36.236 112.132 50.084 1.00 0.00 H ATOM 684 N GLU A 70 33.786 113.089 51.766 1.00 77.31 N ATOM 685 CA GLU A 70 32.489 113.676 52.074 1.00 76.21 C ATOM 686 C GLU A 70 31.581 112.652 52.747 1.00 75.21 C ATOM 687 O GLU A 70 31.367 111.556 52.215 1.00 77.14 O ATOM 688 CB GLU A 70 31.821 114.219 50.813 1.00 83.31 C ATOM 689 CG GLU A 70 30.591 115.057 51.122 1.00 91.12 C ATOM 690 CD GLU A 70 29.932 115.630 49.888 1.00 98.99 C ATOM 691 OE1 GLU A 70 28.922 116.352 50.046 1.00101.44 O ATOM 692 OE2 GLU A 70 30.418 115.360 48.767 1.00101.31 O ATOM 693 H GLU A 70 33.902 112.543 50.888 1.00 0.00 H ATOM 694 N LEU A 71 31.041 113.022 53.910 1.00 69.73 N ATOM 695 CA LEU A 71 30.131 112.173 54.675 1.00 65.38 C ATOM 696 C LEU A 71 28.701 112.649 54.433 1.00 63.87 C ATOM 697 O LEU A 71 28.309 113.710 54.923 1.00 65.13 O ATOM 698 CB LEU A 71 30.480 112.220 56.161 1.00 64.64 C ATOM 699 CG LEU A 71 31.967 112.086 56.472 1.00 66.78 C ATOM 700 CD1 LEU A 71 32.182 112.024 57.974 1.00 66.37 C ATOM 701 CD2 LEU A 71 32.536 110.850 55.787 1.00 65.81 C ATOM 702 H LEU A 71 31.280 113.960 54.290 1.00 0.00 H ATOM 703 N LYS A 72 27.920 111.861 53.695 1.00 58.18 N ATOM 704 CA LYS A 72 26.614 112.314 53.230 1.00 57.62 C ATOM 705 C LYS A 72 25.718 111.115 52.983 1.00 56.05 C ATOM 706 O LYS A 72 26.185 109.982 52.840 1.00 62.04 O ATOM 707 CB LYS A 72 26.725 113.139 51.940 1.00 62.13 C ATOM 708 CG LYS A 72 27.536 112.425 50.855 1.00 65.86 C ATOM 709 CD LYS A 72 27.223 112.910 49.459 1.00 67.58 C ATOM 710 CE LYS A 72 28.108 112.193 48.449 1.00 72.11 C ATOM 711 NZ LYS A 72 27.477 112.039 47.097 1.00 75.54 N ATOM 712 HZ1 LYS A 72 26.599 111.489 47.186 1.00 0.00 H ATOM 713 HZ2 LYS A 72 27.260 112.979 46.708 1.00 0.00 H ATOM 714 HZ3 LYS A 72 28.136 111.543 46.463 1.00 0.00 H ATOM 715 H LYS A 72 28.248 110.906 53.446 1.00 0.00 H ATOM 716 N ILE A 73 24.420 111.396 52.911 1.00 49.54 N ATOM 717 CA ILE A 73 23.400 110.445 52.497 1.00 46.63 C ATOM 718 C ILE A 73 22.711 110.989 51.249 1.00 50.28 C ATOM 719 O ILE A 73 22.351 112.169 51.194 1.00 60.68 O ATOM 720 CB ILE A 73 22.376 110.213 53.622 1.00 47.42 C ATOM 721 CG1 ILE A 73 23.084 109.835 54.915 1.00 54.13 C ATOM 722 CG2 ILE A 73 21.363 109.151 53.217 1.00 44.06 C ATOM 723 CD1 ILE A 73 22.125 109.543 56.054 1.00 59.73 C ATOM 724 H ILE A 73 24.115 112.357 53.167 1.00 0.00 H ATOM 725 N ASP A 74 22.511 110.135 50.253 1.00 46.70 N ATOM 726 CA ASP A 74 21.750 110.512 49.071 1.00 50.06 C ATOM 727 C ASP A 74 20.540 109.596 48.913 1.00 50.37 C ATOM 728 O ASP A 74 20.562 108.428 49.309 1.00 55.21 O ATOM 729 CB ASP A 74 22.624 110.473 47.826 1.00 59.38 C ATOM 730 CG ASP A 74 23.862 111.364 47.954 1.00 78.44 C ATOM 731 OD1 ASP A 74 23.708 112.600 48.039 1.00 90.92 O ATOM 732 OD2 ASP A 74 24.992 110.834 47.971 1.00 82.56 O ATOM 733 H ASP A 74 22.907 109.175 50.319 1.00 0.00 H ATOM 734 N ILE A 75 19.459 110.133 48.368 1.00 50.71 N ATOM 735 CA ILE A 75 18.222 109.379 48.199 1.00 51.13 C ATOM 736 C ILE A 75 17.803 109.532 46.753 1.00 42.63 C ATOM 737 O ILE A 75 17.654 110.654 46.269 1.00 62.61 O ATOM 738 CB ILE A 75 17.099 109.863 49.137 1.00 50.87 C ATOM 739 CG1 ILE A 75 17.577 109.946 50.581 1.00 47.53 C ATOM 740 CG2 ILE A 75 15.896 108.928 49.073 1.00 47.79 C ATOM 741 CD1 ILE A 75 16.463 110.056 51.543 1.00 47.66 C ATOM 742 H ILE A 75 19.493 111.123 48.051 1.00 0.00 H ATOM 743 N ILE A 76 17.600 108.417 46.068 1.00 47.63 N ATOM 744 CA ILE A 76 17.346 108.454 44.632 1.00 51.01 C ATOM 745 C ILE A 76 16.097 107.654 44.294 1.00 54.44 C ATOM 746 O ILE A 76 16.185 106.431 44.101 1.00 52.96 O ATOM 747 CB ILE A 76 18.546 107.918 43.838 1.00 49.00 C ATOM 748 CG1 ILE A 76 19.830 108.636 44.279 1.00 50.90 C ATOM 749 CG2 ILE A 76 18.277 108.074 42.349 1.00 45.97 C ATOM 750 CD1 ILE A 76 20.732 107.799 45.141 1.00 49.97 C ATOM 751 H ILE A 76 17.622 107.502 46.561 1.00 0.00 H ATOM 752 N PRO A 77 14.929 108.283 44.204 1.00 57.32 N ATOM 753 CA PRO A 77 13.758 107.574 43.685 1.00 58.94 C ATOM 754 C PRO A 77 13.851 107.417 42.176 1.00 62.94 C ATOM 755 O PRO A 77 14.295 108.321 41.466 1.00 77.77 O ATOM 756 CB PRO A 77 12.588 108.478 44.089 1.00 55.57 C ATOM 757 CG PRO A 77 13.176 109.816 44.226 1.00 57.51 C ATOM 758 CD PRO A 77 14.597 109.640 44.665 1.00 58.52 C ATOM 759 N ASN A 78 13.441 106.248 41.692 1.00 54.94 N ATOM 760 CA ASN A 78 13.466 105.921 40.267 1.00 55.67 C ATOM 761 C ASN A 78 12.097 105.388 39.868 1.00 54.69 C ATOM 762 O ASN A 78 11.856 104.174 39.889 1.00 47.86 O ATOM 763 CB ASN A 78 14.566 104.912 39.953 1.00 61.88 C ATOM 764 CG ASN A 78 14.668 104.593 38.473 1.00 65.02 C ATOM 765 OD1 ASN A 78 13.824 104.989 37.671 1.00 58.65 O ATOM 766 ND2 ASN A 78 15.700 103.844 38.112 1.00 71.73 N ATOM 767 HD22 ASN A 78 16.390 103.531 38.824 1.00 0.00 H ATOM 768 HD21 ASN A 78 15.820 103.569 37.116 1.00 0.00 H ATOM 769 H ASN A 78 13.086 105.533 42.358 1.00 0.00 H ATOM 770 N PRO A 79 11.192 106.269 39.449 1.00 56.10 N ATOM 771 CA PRO A 79 9.803 105.843 39.189 1.00 62.61 C ATOM 772 C PRO A 79 9.662 104.761 38.121 1.00 72.74 C ATOM 773 O PRO A 79 8.728 103.951 38.188 1.00 79.94 O ATOM 774 CB PRO A 79 9.123 107.151 38.749 1.00 61.62 C ATOM 775 CG PRO A 79 10.009 108.258 39.284 1.00 55.52 C ATOM 776 CD PRO A 79 11.397 107.709 39.217 1.00 55.16 C ATOM 777 N GLN A 80 10.554 104.718 37.137 1.00 72.22 N ATOM 778 CA GLN A 80 10.403 103.788 36.028 1.00 72.45 C ATOM 779 C GLN A 80 10.952 102.395 36.332 1.00 73.66 C ATOM 780 O GLN A 80 10.550 101.432 35.671 1.00 80.20 O ATOM 781 CB GLN A 80 11.054 104.386 34.769 1.00 69.61 C ATOM 782 CG GLN A 80 11.022 103.522 33.544 1.00 68.86 C ATOM 783 CD GLN A 80 12.322 102.783 33.372 1.00 66.11 C ATOM 784 OE1 GLN A 80 13.233 102.933 34.183 1.00 62.62 O ATOM 785 NE2 GLN A 80 12.424 101.986 32.316 1.00 68.69 N ATOM 786 HE22 GLN A 80 11.625 101.891 31.657 1.00 0.00 H ATOM 787 HE21 GLN A 80 13.303 101.456 32.147 1.00 0.00 H ATOM 788 H GLN A 80 11.373 105.359 37.160 1.00 0.00 H ATOM 789 N GLU A 81 11.834 102.238 37.318 1.00 66.27 N ATOM 790 CA GLU A 81 12.183 100.902 37.780 1.00 59.21 C ATOM 791 C GLU A 81 11.580 100.602 39.142 1.00 56.22 C ATOM 792 O GLU A 81 11.832 99.537 39.697 1.00 59.23 O ATOM 793 CB GLU A 81 13.698 100.693 37.814 1.00 54.96 C ATOM 794 CG GLU A 81 14.096 99.216 37.691 1.00 54.70 C ATOM 795 CD GLU A 81 15.489 98.918 38.211 1.00 52.61 C ATOM 796 OE1 GLU A 81 16.364 99.801 38.107 1.00 52.24 O ATOM 797 OE2 GLU A 81 15.708 97.801 38.729 1.00 51.79 O ATOM 798 H GLU A 81 12.274 103.071 37.758 1.00 0.00 H ATOM 799 N ARG A 82 10.770 101.508 39.676 1.00 54.90 N ATOM 800 CA ARG A 82 10.072 101.307 40.942 1.00 52.64 C ATOM 801 C ARG A 82 11.036 100.942 42.063 1.00 50.21 C ATOM 802 O ARG A 82 10.764 100.071 42.892 1.00 48.71 O ATOM 803 CB ARG A 82 8.976 100.254 40.799 1.00 56.81 C ATOM 804 CG ARG A 82 7.584 100.838 40.780 1.00 67.78 C ATOM 805 CD ARG A 82 6.569 99.790 40.403 1.00 75.44 C ATOM 806 NE ARG A 82 6.634 98.646 41.303 1.00 74.41 N ATOM 807 CZ ARG A 82 6.122 97.454 41.019 1.00 82.30 C ATOM 808 NH1 ARG A 82 5.517 97.256 39.854 1.00 86.19 N ATOM 809 NH2 ARG A 82 6.219 96.460 41.898 1.00 84.44 N ATOM 810 HE ARG A 82 7.108 98.770 42.220 1.00 0.00 H ATOM 811 HH12 ARG A 82 5.115 96.324 39.629 1.00 0.00 H ATOM 812 HH11 ARG A 82 5.445 98.033 39.167 1.00 0.00 H ATOM 813 HH22 ARG A 82 5.818 95.527 41.674 1.00 0.00 H ATOM 814 HH21 ARG A 82 6.696 96.616 42.809 1.00 0.00 H ATOM 815 H ARG A 82 10.626 102.404 39.168 1.00 0.00 H ATOM 816 N THR A 83 12.178 101.622 42.088 1.00 49.40 N ATOM 817 CA THR A 83 13.115 101.484 43.189 1.00 52.40 C ATOM 818 C THR A 83 13.310 102.809 43.895 1.00 50.32 C ATOM 819 O THR A 83 13.173 103.878 43.303 1.00 55.87 O ATOM 820 CB THR A 83 14.501 100.980 42.758 1.00 50.57 C ATOM 821 OG1 THR A 83 15.048 101.859 41.774 1.00 55.99 O ATOM 822 CG2 THR A 83 14.424 99.593 42.230 1.00 46.80 C ATOM 823 HG1 THR A 83 15.133 102.768 42.156 1.00 0.00 H ATOM 824 H THR A 83 12.405 102.266 41.303 1.00 0.00 H ATOM 825 N LEU A 84 13.643 102.714 45.172 1.00 45.61 N ATOM 826 CA LEU A 84 14.169 103.831 45.940 1.00 41.76 C ATOM 827 C LEU A 84 15.533 103.397 46.455 1.00 40.02 C ATOM 828 O LEU A 84 15.693 102.261 46.906 1.00 42.13 O ATOM 829 CB LEU A 84 13.221 104.215 47.079 1.00 38.40 C ATOM 830 CG LEU A 84 13.631 105.363 48.014 1.00 41.91 C ATOM 831 CD1 LEU A 84 13.655 106.717 47.284 1.00 41.10 C ATOM 832 CD2 LEU A 84 12.697 105.403 49.209 1.00 36.57 C ATOM 833 H LEU A 84 13.523 101.798 45.649 1.00 0.00 H ATOM 834 N THR A 85 16.523 104.273 46.330 1.00 42.66 N ATOM 835 CA THR A 85 17.910 103.946 46.630 1.00 40.48 C ATOM 836 C THR A 85 18.408 104.934 47.667 1.00 45.94 C ATOM 837 O THR A 85 18.160 106.136 47.544 1.00 49.15 O ATOM 838 CB THR A 85 18.798 104.015 45.373 1.00 45.74 C ATOM 839 OG1 THR A 85 18.380 103.030 44.419 1.00 49.67 O ATOM 840 CG2 THR A 85 20.263 103.779 45.714 1.00 44.55 C ATOM 841 HG1 THR A 85 17.439 103.199 44.162 1.00 0.00 H ATOM 842 H THR A 85 16.298 105.235 46.004 1.00 0.00 H ATOM 843 N LEU A 86 19.077 104.423 48.699 1.00 44.36 N ATOM 844 CA LEU A 86 19.811 105.230 49.664 1.00 44.00 C ATOM 845 C LEU A 86 21.271 104.841 49.572 1.00 47.17 C ATOM 846 O LEU A 86 21.598 103.652 49.630 1.00 54.09 O ATOM 847 CB LEU A 86 19.333 105.007 51.092 1.00 48.55 C ATOM 848 CG LEU A 86 17.870 105.230 51.444 1.00 63.39 C ATOM 849 CD1 LEU A 86 17.730 105.344 52.958 1.00 68.99 C ATOM 850 CD2 LEU A 86 17.344 106.457 50.780 1.00 70.33 C ATOM 851 H LEU A 86 19.075 103.390 48.823 1.00 0.00 H ATOM 852 N VAL A 87 22.146 105.826 49.422 1.00 42.28 N ATOM 853 CA VAL A 87 23.581 105.569 49.407 1.00 43.51 C ATOM 854 C VAL A 87 24.222 106.447 50.468 1.00 44.97 C ATOM 855 O VAL A 87 23.886 107.631 50.587 1.00 50.49 O ATOM 856 CB VAL A 87 24.205 105.817 48.012 1.00 46.65 C ATOM 857 CG1 VAL A 87 23.888 107.216 47.519 1.00 52.77 C ATOM 858 CG2 VAL A 87 25.734 105.570 48.039 1.00 46.44 C ATOM 859 H VAL A 87 21.802 106.801 49.313 1.00 0.00 H ATOM 860 N ASP A 88 25.113 105.865 51.261 1.00 40.35 N ATOM 861 CA ASP A 88 25.859 106.639 52.244 1.00 49.26 C ATOM 862 C ASP A 88 27.353 106.402 52.064 1.00 45.91 C ATOM 863 O ASP A 88 27.783 105.336 51.610 1.00 47.55 O ATOM 864 CB ASP A 88 25.428 106.322 53.704 1.00 47.21 C ATOM 865 CG ASP A 88 25.725 104.892 54.135 1.00 56.70 C ATOM 866 OD1 ASP A 88 26.507 104.172 53.500 1.00 65.87 O ATOM 867 OD2 ASP A 88 25.167 104.459 55.146 1.00 63.85 O ATOM 868 H ASP A 88 25.281 104.842 51.179 1.00 0.00 H ATOM 869 N THR A 89 28.150 107.406 52.419 1.00 44.48 N ATOM 870 CA THR A 89 29.600 107.257 52.408 1.00 49.48 C ATOM 871 C THR A 89 30.160 106.893 53.781 1.00 52.28 C ATOM 872 O THR A 89 31.252 107.327 54.135 1.00 58.66 O ATOM 873 CB THR A 89 30.256 108.524 51.875 1.00 51.10 C ATOM 874 OG1 THR A 89 29.861 109.654 52.677 1.00 50.86 O ATOM 875 CG2 THR A 89 29.828 108.719 50.444 1.00 48.21 C ATOM 876 HG1 THR A 89 30.291 110.473 52.325 1.00 0.00 H ATOM 877 H THR A 89 27.732 108.313 52.709 1.00 0.00 H ATOM 878 N GLY A 90 29.437 106.099 54.553 1.00 53.19 N ATOM 879 CA GLY A 90 29.891 105.649 55.851 1.00 53.64 C ATOM 880 C GLY A 90 30.874 104.505 55.716 1.00 54.50 C ATOM 881 O GLY A 90 31.414 104.235 54.641 1.00 49.94 O ATOM 882 H GLY A 90 28.505 105.786 54.214 1.00 0.00 H ATOM 883 N ILE A 91 31.096 103.807 56.832 1.00 54.32 N ATOM 884 CA ILE A 91 32.253 102.927 56.904 1.00 55.20 C ATOM 885 C ILE A 91 32.086 101.681 56.056 1.00 52.95 C ATOM 886 O ILE A 91 33.081 101.042 55.710 1.00 44.86 O ATOM 887 CB ILE A 91 32.558 102.533 58.356 1.00 59.89 C ATOM 888 CG1 ILE A 91 33.968 101.920 58.433 1.00 68.13 C ATOM 889 CG2 ILE A 91 31.459 101.607 58.900 1.00 51.92 C ATOM 890 CD1 ILE A 91 34.512 101.703 59.833 1.00 71.86 C ATOM 891 H ILE A 91 30.449 103.891 57.642 1.00 0.00 H ATOM 892 N GLY A 92 30.867 101.306 55.710 1.00 49.30 N ATOM 893 CA GLY A 92 30.681 100.117 54.907 1.00 52.14 C ATOM 894 C GLY A 92 30.906 98.847 55.703 1.00 54.80 C ATOM 895 O GLY A 92 31.148 98.851 56.913 1.00 60.06 O ATOM 896 H GLY A 92 30.044 101.864 56.014 1.00 0.00 H ATOM 897 N MET A 93 30.836 97.730 54.988 1.00 49.68 N ATOM 898 CA MET A 93 30.846 96.416 55.608 1.00 45.39 C ATOM 899 C MET A 93 31.709 95.445 54.816 1.00 49.71 C ATOM 900 O MET A 93 31.557 95.304 53.598 1.00 48.87 O ATOM 901 CB MET A 93 29.427 95.861 55.715 1.00 43.93 C ATOM 902 CG MET A 93 28.529 96.608 56.662 1.00 50.67 C ATOM 903 SD MET A 93 26.938 95.772 56.687 1.00 60.47 S ATOM 904 CE MET A 93 26.248 96.339 55.142 1.00 54.32 C ATOM 905 H MET A 93 30.772 97.798 53.952 1.00 0.00 H ATOM 906 N THR A 94 32.599 94.763 55.520 1.00 53.09 N ATOM 907 CA THR A 94 33.308 93.643 54.928 1.00 55.77 C ATOM 908 C THR A 94 32.326 92.550 54.527 1.00 55.20 C ATOM 909 O THR A 94 31.178 92.515 54.974 1.00 52.76 O ATOM 910 CB THR A 94 34.325 93.086 55.918 1.00 57.25 C ATOM 911 OG1 THR A 94 33.638 92.560 57.062 1.00 51.96 O ATOM 912 CG2 THR A 94 35.250 94.197 56.370 1.00 58.50 C ATOM 913 HG1 THR A 94 33.117 93.283 57.494 1.00 0.00 H ATOM 914 H THR A 94 32.792 95.032 56.506 1.00 0.00 H ATOM 915 N LYS A 95 32.795 91.638 53.677 1.00 57.89 N ATOM 916 CA LYS A 95 31.983 90.476 53.329 1.00 52.84 C ATOM 917 C LYS A 95 31.573 89.699 54.577 1.00 49.02 C ATOM 918 O LYS A 95 30.404 89.340 54.741 1.00 49.00 O ATOM 919 CB LYS A 95 32.750 89.571 52.361 1.00 53.18 C ATOM 920 CG LYS A 95 31.891 88.462 51.803 1.00 51.70 C ATOM 921 CD LYS A 95 32.711 87.465 51.033 1.00 60.13 C ATOM 922 CE LYS A 95 31.926 86.170 50.820 1.00 67.74 C ATOM 923 NZ LYS A 95 32.609 85.180 49.919 1.00 70.41 N ATOM 924 HZ1 LYS A 95 32.754 85.608 48.982 1.00 0.00 H ATOM 925 HZ2 LYS A 95 33.528 84.918 50.328 1.00 0.00 H ATOM 926 HZ3 LYS A 95 32.015 84.331 49.825 1.00 0.00 H ATOM 927 H LYS A 95 33.741 91.754 53.261 1.00 0.00 H ATOM 928 N ALA A 96 32.530 89.461 55.479 1.00 48.96 N ATOM 929 CA ALA A 96 32.262 88.733 56.720 1.00 49.97 C ATOM 930 C ALA A 96 31.121 89.352 57.526 1.00 51.91 C ATOM 931 O ALA A 96 30.246 88.639 58.033 1.00 50.72 O ATOM 932 CB ALA A 96 33.536 88.685 57.563 1.00 48.77 C ATOM 933 H ALA A 96 33.494 89.803 55.293 1.00 0.00 H ATOM 934 N ASP A 97 31.116 90.678 57.659 1.00 49.56 N ATOM 935 CA ASP A 97 30.067 91.362 58.402 1.00 47.31 C ATOM 936 C ASP A 97 28.775 91.485 57.610 1.00 44.97 C ATOM 937 O ASP A 97 27.698 91.536 58.208 1.00 44.44 O ATOM 938 CB ASP A 97 30.551 92.748 58.822 1.00 54.95 C ATOM 939 CG ASP A 97 31.781 92.682 59.712 1.00 70.59 C ATOM 940 OD1 ASP A 97 31.784 91.851 60.655 1.00 76.33 O ATOM 941 OD2 ASP A 97 32.750 93.438 59.456 1.00 75.56 O ATOM 942 H ASP A 97 31.877 91.236 57.223 1.00 0.00 H ATOM 943 N LEU A 98 28.848 91.566 56.281 1.00 43.71 N ATOM 944 CA LEU A 98 27.620 91.594 55.498 1.00 41.21 C ATOM 945 C LEU A 98 26.792 90.343 55.777 1.00 47.97 C ATOM 946 O LEU A 98 25.648 90.432 56.241 1.00 46.82 O ATOM 947 CB LEU A 98 27.958 91.727 54.012 1.00 42.54 C ATOM 948 CG LEU A 98 26.839 91.930 52.983 1.00 44.90 C ATOM 949 CD1 LEU A 98 26.041 93.196 53.268 1.00 45.27 C ATOM 950 CD2 LEU A 98 27.417 91.986 51.579 1.00 45.19 C ATOM 951 H LEU A 98 29.773 91.609 55.808 1.00 0.00 H ATOM 952 N ILE A 99 27.399 89.164 55.566 1.00 47.98 N ATOM 953 CA ILE A 99 26.741 87.874 55.791 1.00 40.09 C ATOM 954 C ILE A 99 26.336 87.723 57.247 1.00 43.09 C ATOM 955 O ILE A 99 25.245 87.235 57.568 1.00 44.76 O ATOM 956 CB ILE A 99 27.683 86.727 55.380 1.00 40.09 C ATOM 957 CG1 ILE A 99 27.960 86.752 53.874 1.00 37.55 C ATOM 958 CG2 ILE A 99 27.151 85.385 55.860 1.00 37.48 C ATOM 959 CD1 ILE A 99 29.074 85.854 53.487 1.00 39.93 C ATOM 960 H ILE A 99 28.382 89.166 55.227 1.00 0.00 H ATOM 961 N ASN A 100 27.233 88.092 58.153 1.00 44.64 N ATOM 962 CA ASN A 100 26.978 87.853 59.563 1.00 44.73 C ATOM 963 C ASN A 100 25.889 88.781 60.083 1.00 45.08 C ATOM 964 O ASN A 100 24.919 88.326 60.695 1.00 47.64 O ATOM 965 CB ASN A 100 28.278 88.020 60.347 1.00 55.28 C ATOM 966 CG ASN A 100 28.336 87.142 61.569 1.00 62.50 C ATOM 967 OD1 ASN A 100 27.919 85.985 61.538 1.00 65.09 O ATOM 968 ND2 ASN A 100 28.840 87.692 62.665 1.00 68.46 N ATOM 969 HD22 ASN A 100 29.181 88.674 62.644 1.00 0.00 H ATOM 970 HD21 ASN A 100 28.895 87.141 63.545 1.00 0.00 H ATOM 971 H ASN A 100 28.117 88.551 57.854 1.00 0.00 H ATOM 972 N ASN A 101 26.015 90.088 59.819 1.00 47.52 N ATOM 973 CA ASN A 101 25.095 91.059 60.413 1.00 48.94 C ATOM 974 C ASN A 101 23.675 90.869 59.906 1.00 43.47 C ATOM 975 O ASN A 101 22.721 90.955 60.680 1.00 45.67 O ATOM 976 CB ASN A 101 25.543 92.496 60.125 1.00 50.70 C ATOM 977 CG ASN A 101 26.839 92.860 60.813 1.00 52.21 C ATOM 978 OD1 ASN A 101 27.260 92.195 61.750 1.00 55.12 O ATOM 979 ND2 ASN A 101 27.484 93.918 60.340 1.00 55.81 N ATOM 980 HD22 ASN A 101 27.088 94.454 59.541 1.00 0.00 H ATOM 981 HD21 ASN A 101 28.385 94.212 60.768 1.00 0.00 H ATOM 982 H ASN A 101 26.773 90.416 59.187 1.00 0.00 H ATOM 983 N LEU A 102 23.514 90.626 58.617 1.00 40.69 N ATOM 984 CA LEU A 102 22.189 90.558 58.029 1.00 44.14 C ATOM 985 C LEU A 102 21.600 89.156 58.024 1.00 46.69 C ATOM 986 O LEU A 102 20.378 89.012 57.929 1.00 46.99 O ATOM 987 CB LEU A 102 22.231 91.077 56.596 1.00 50.66 C ATOM 988 CG LEU A 102 22.666 92.522 56.413 1.00 55.59 C ATOM 989 CD1 LEU A 102 22.505 92.895 54.953 1.00 49.58 C ATOM 990 CD2 LEU A 102 21.831 93.405 57.295 1.00 64.41 C ATOM 991 H LEU A 102 24.350 90.481 58.015 1.00 0.00 H ATOM 992 N GLY A 103 22.420 88.119 58.111 1.00 45.74 N ATOM 993 CA GLY A 103 21.870 86.778 58.037 1.00 42.69 C ATOM 994 C GLY A 103 21.866 85.968 59.323 1.00 41.39 C ATOM 995 O GLY A 103 21.257 84.890 59.375 1.00 44.37 O ATOM 996 H GLY A 103 23.443 88.264 58.231 1.00 0.00 H ATOM 997 N THR A 104 22.520 86.465 60.373 1.00 36.35 N ATOM 998 CA THR A 104 22.854 85.566 61.465 1.00 37.89 C ATOM 999 C THR A 104 22.790 86.202 62.856 1.00 42.71 C ATOM 1000 O THR A 104 21.979 85.775 63.682 1.00 45.61 O ATOM 1001 CB THR A 104 24.242 84.992 61.219 1.00 42.53 C ATOM 1002 OG1 THR A 104 24.299 84.395 59.909 1.00 46.60 O ATOM 1003 CG2 THR A 104 24.568 83.967 62.277 1.00 39.14 C ATOM 1004 HG1 THR A 104 23.629 83.669 59.849 1.00 0.00 H ATOM 1005 H THR A 104 22.784 87.470 60.410 1.00 0.00 H ATOM 1006 N ILE A 105 23.644 87.196 63.148 1.00 36.43 N ATOM 1007 CA ILE A 105 23.720 87.725 64.509 1.00 40.58 C ATOM 1008 C ILE A 105 22.620 88.724 64.811 1.00 43.94 C ATOM 1009 O ILE A 105 22.511 89.179 65.951 1.00 52.58 O ATOM 1010 CB ILE A 105 25.058 88.413 64.847 1.00 44.18 C ATOM 1011 CG1 ILE A 105 25.328 89.598 63.924 1.00 50.90 C ATOM 1012 CG2 ILE A 105 26.193 87.426 64.800 1.00 39.50 C ATOM 1013 CD1 ILE A 105 26.325 90.575 64.491 1.00 54.39 C ATOM 1014 H ILE A 105 24.254 87.591 62.404 1.00 0.00 H ATOM 1015 N ALA A 106 21.810 89.086 63.817 1.00 41.01 N ATOM 1016 CA ALA A 106 20.540 89.753 64.067 1.00 34.52 C ATOM 1017 C ALA A 106 19.552 88.850 64.801 1.00 35.13 C ATOM 1018 O ALA A 106 18.448 89.301 65.116 1.00 36.94 O ATOM 1019 CB ALA A 106 19.933 90.241 62.730 1.00 24.93 C ATOM 1020 H ALA A 106 22.092 88.887 62.836 1.00 0.00 H ATOM 1021 N LYS A 107 19.915 87.588 65.055 1.00 35.61 N ATOM 1022 CA LYS A 107 19.021 86.643 65.719 1.00 38.91 C ATOM 1023 C LYS A 107 18.528 87.180 67.058 1.00 41.27 C ATOM 1024 O LYS A 107 17.336 87.120 67.361 1.00 41.59 O ATOM 1025 CB LYS A 107 19.732 85.302 65.935 1.00 40.94 C ATOM 1026 CG LYS A 107 18.824 84.241 66.534 1.00 46.36 C ATOM 1027 CD LYS A 107 19.555 83.374 67.526 1.00 55.75 C ATOM 1028 CE LYS A 107 18.725 82.156 67.864 1.00 65.80 C ATOM 1029 NZ LYS A 107 18.614 81.285 66.610 1.00 76.33 N ATOM 1030 HZ1 LYS A 107 18.156 81.829 65.851 1.00 0.00 H ATOM 1031 HZ2 LYS A 107 19.565 80.995 66.305 1.00 0.00 H ATOM 1032 HZ3 LYS A 107 18.045 80.441 66.825 1.00 0.00 H ATOM 1033 H LYS A 107 20.863 87.270 64.771 1.00 0.00 H ATOM 1034 N SER A 108 19.440 87.686 67.890 1.00 44.16 N ATOM 1035 CA SER A 108 19.041 88.168 69.212 1.00 47.90 C ATOM 1036 C SER A 108 18.035 89.311 69.123 1.00 44.46 C ATOM 1037 O SER A 108 16.996 89.287 69.790 1.00 53.44 O ATOM 1038 CB SER A 108 20.262 88.615 69.996 1.00 55.13 C ATOM 1039 OG SER A 108 21.231 87.588 69.990 1.00 70.62 O ATOM 1040 HG SER A 108 22.026 87.883 70.502 1.00 0.00 H ATOM 1041 H SER A 108 20.437 87.738 67.598 1.00 0.00 H ATOM 1042 N GLY A 109 18.332 90.328 68.316 1.00 36.79 N ATOM 1043 CA GLY A 109 17.445 91.474 68.249 1.00 36.59 C ATOM 1044 C GLY A 109 16.084 91.134 67.668 1.00 39.19 C ATOM 1045 O GLY A 109 15.055 91.600 68.158 1.00 46.53 O ATOM 1046 H GLY A 109 19.195 90.301 67.737 1.00 0.00 H ATOM 1047 N THR A 110 16.056 90.304 66.629 1.00 37.79 N ATOM 1048 CA THR A 110 14.781 89.938 66.026 1.00 37.21 C ATOM 1049 C THR A 110 13.952 89.101 66.986 1.00 37.06 C ATOM 1050 O THR A 110 12.724 89.233 67.027 1.00 43.62 O ATOM 1051 CB THR A 110 15.009 89.186 64.706 1.00 35.45 C ATOM 1052 OG1 THR A 110 15.858 88.064 64.943 1.00 39.77 O ATOM 1053 CG2 THR A 110 15.668 90.095 63.656 1.00 26.42 C ATOM 1054 HG1 THR A 110 16.726 88.378 65.300 1.00 0.00 H ATOM 1055 H THR A 110 16.943 89.917 66.248 1.00 0.00 H ATOM 1056 N LYS A 111 14.608 88.250 67.775 1.00 33.96 N ATOM 1057 CA LYS A 111 13.892 87.406 68.721 1.00 41.30 C ATOM 1058 C LYS A 111 13.291 88.235 69.851 1.00 42.75 C ATOM 1059 O LYS A 111 12.102 88.096 70.170 1.00 45.87 O ATOM 1060 CB LYS A 111 14.832 86.341 69.273 1.00 45.51 C ATOM 1061 CG LYS A 111 14.141 85.232 70.011 1.00 54.69 C ATOM 1062 CD LYS A 111 14.963 84.807 71.222 1.00 64.24 C ATOM 1063 CE LYS A 111 14.423 83.547 71.860 1.00 72.04 C ATOM 1064 NZ LYS A 111 14.915 82.367 71.108 1.00 81.73 N ATOM 1065 HZ1 LYS A 111 14.590 82.426 70.122 1.00 0.00 H ATOM 1066 HZ2 LYS A 111 15.955 82.352 71.131 1.00 0.00 H ATOM 1067 HZ3 LYS A 111 14.544 81.499 71.546 1.00 0.00 H ATOM 1068 H LYS A 111 15.644 88.188 67.714 1.00 0.00 H ATOM 1069 N ALA A 112 14.102 89.109 70.466 1.00 37.67 N ATOM 1070 CA ALA A 112 13.606 89.979 71.526 1.00 31.54 C ATOM 1071 C ALA A 112 12.508 90.885 71.007 1.00 34.31 C ATOM 1072 O ALA A 112 11.624 91.300 71.767 1.00 33.81 O ATOM 1073 CB ALA A 112 14.744 90.821 72.102 1.00 29.95 C ATOM 1074 H ALA A 112 15.101 89.167 70.182 1.00 0.00 H ATOM 1075 N PHE A 113 12.551 91.204 69.714 1.00 32.94 N ATOM 1076 CA PHE A 113 11.575 92.123 69.167 1.00 35.29 C ATOM 1077 C PHE A 113 10.239 91.428 68.956 1.00 38.01 C ATOM 1078 O PHE A 113 9.200 91.951 69.372 1.00 38.30 O ATOM 1079 CB PHE A 113 12.098 92.733 67.872 1.00 35.43 C ATOM 1080 CG PHE A 113 11.182 93.741 67.280 1.00 38.20 C ATOM 1081 CD1 PHE A 113 10.623 94.729 68.067 1.00 36.50 C ATOM 1082 CD2 PHE A 113 10.875 93.695 65.938 1.00 42.95 C ATOM 1083 CE1 PHE A 113 9.783 95.667 67.517 1.00 37.32 C ATOM 1084 CE2 PHE A 113 10.030 94.630 65.375 1.00 43.73 C ATOM 1085 CZ PHE A 113 9.493 95.628 66.168 1.00 42.00 C ATOM 1086 H PHE A 113 13.283 90.794 69.100 1.00 0.00 H ATOM 1087 N MET A 114 10.249 90.225 68.373 1.00 38.84 N ATOM 1088 CA MET A 114 9.009 89.461 68.272 1.00 44.40 C ATOM 1089 C MET A 114 8.423 89.170 69.649 1.00 47.47 C ATOM 1090 O MET A 114 7.203 89.203 69.824 1.00 50.62 O ATOM 1091 CB MET A 114 9.247 88.176 67.489 1.00 44.44 C ATOM 1092 CG MET A 114 9.445 88.442 66.009 1.00 48.47 C ATOM 1093 SD MET A 114 9.652 86.934 65.058 1.00 62.32 S ATOM 1094 CE MET A 114 11.129 86.238 65.821 1.00 57.49 C ATOM 1095 H MET A 114 11.135 89.835 67.993 1.00 0.00 H ATOM 1096 N GLU A 115 9.270 88.882 70.644 1.00 45.50 N ATOM 1097 CA GLU A 115 8.754 88.748 71.995 1.00 49.09 C ATOM 1098 C GLU A 115 8.144 90.059 72.463 1.00 48.19 C ATOM 1099 O GLU A 115 7.048 90.072 73.037 1.00 50.22 O ATOM 1100 CB GLU A 115 9.854 88.299 72.947 1.00 56.21 C ATOM 1101 CG GLU A 115 10.055 86.806 72.965 1.00 69.85 C ATOM 1102 CD GLU A 115 11.391 86.396 73.548 1.00 77.89 C ATOM 1103 OE1 GLU A 115 12.061 87.230 74.193 1.00 82.36 O ATOM 1104 OE2 GLU A 115 11.775 85.230 73.351 1.00 81.14 O ATOM 1105 H GLU A 115 10.284 88.756 70.452 1.00 0.00 H ATOM 1106 N ALA A 116 8.828 91.177 72.221 1.00 38.79 N ATOM 1107 CA ALA A 116 8.254 92.445 72.636 1.00 38.41 C ATOM 1108 C ALA A 116 6.936 92.711 71.907 1.00 42.71 C ATOM 1109 O ALA A 116 5.974 93.199 72.513 1.00 50.77 O ATOM 1110 CB ALA A 116 9.263 93.577 72.427 1.00 30.87 C ATOM 1111 H ALA A 116 9.752 91.142 71.746 1.00 0.00 H ATOM 1112 N LEU A 117 6.856 92.354 70.618 1.00 42.98 N ATOM 1113 CA LEU A 117 5.599 92.496 69.879 1.00 44.44 C ATOM 1114 C LEU A 117 4.477 91.683 70.500 1.00 44.54 C ATOM 1115 O LEU A 117 3.336 92.140 70.560 1.00 51.65 O ATOM 1116 CB LEU A 117 5.762 92.052 68.433 1.00 51.06 C ATOM 1117 CG LEU A 117 6.684 92.810 67.475 1.00 56.13 C ATOM 1118 CD1 LEU A 117 6.896 92.199 66.062 1.00 56.36 C ATOM 1119 CD2 LEU A 117 6.137 94.124 67.344 1.00 61.47 C ATOM 1120 H LEU A 117 7.695 91.972 70.137 1.00 0.00 H ATOM 1121 N GLN A 118 4.757 90.453 70.907 1.00 50.75 N ATOM 1122 CA GLN A 118 3.695 89.667 71.516 1.00 63.10 C ATOM 1123 C GLN A 118 3.180 90.324 72.788 1.00 64.50 C ATOM 1124 O GLN A 118 1.994 90.200 73.117 1.00 71.33 O ATOM 1125 CB GLN A 118 4.181 88.249 71.792 1.00 72.60 C ATOM 1126 CG GLN A 118 4.177 87.403 70.546 1.00 85.96 C ATOM 1127 CD GLN A 118 4.620 85.977 70.783 1.00102.12 C ATOM 1128 OE1 GLN A 118 5.230 85.657 71.806 1.00107.89 O ATOM 1129 NE2 GLN A 118 4.309 85.104 69.830 1.00108.63 N ATOM 1130 HE22 GLN A 118 3.793 85.420 68.984 1.00 0.00 H ATOM 1131 HE21 GLN A 118 4.581 84.105 69.931 1.00 0.00 H ATOM 1132 H GLN A 118 5.713 90.059 70.794 1.00 0.00 H ATOM 1133 N ALA A 119 4.040 91.046 73.495 1.00 49.02 N ATOM 1134 CA ALA A 119 3.694 91.623 74.775 1.00 48.77 C ATOM 1135 C ALA A 119 3.194 93.061 74.664 1.00 49.07 C ATOM 1136 O ALA A 119 3.005 93.710 75.697 1.00 54.23 O ATOM 1137 CB ALA A 119 4.897 91.548 75.718 1.00 40.46 C ATOM 1138 H ALA A 119 4.996 91.202 73.116 1.00 0.00 H ATOM 1139 N GLY A 120 2.974 93.571 73.455 1.00 42.76 N ATOM 1140 CA GLY A 120 2.344 94.869 73.274 1.00 43.93 C ATOM 1141 C GLY A 120 3.159 95.907 72.519 1.00 43.30 C ATOM 1142 O GLY A 120 2.679 97.037 72.337 1.00 45.70 O ATOM 1143 H GLY A 120 3.260 93.026 72.617 1.00 0.00 H ATOM 1144 N ALA A 121 4.364 95.602 72.067 1.00 37.42 N ATOM 1145 CA ALA A 121 5.089 96.578 71.265 1.00 45.45 C ATOM 1146 C ALA A 121 4.473 96.679 69.872 1.00 48.82 C ATOM 1147 O ALA A 121 3.669 95.840 69.461 1.00 56.99 O ATOM 1148 CB ALA A 121 6.569 96.209 71.165 1.00 38.40 C ATOM 1149 H ALA A 121 4.788 94.677 72.282 1.00 0.00 H ATOM 1150 N ASP A 122 4.844 97.729 69.145 1.00 46.63 N ATOM 1151 CA ASP A 122 4.474 97.828 67.741 1.00 51.21 C ATOM 1152 C ASP A 122 5.713 98.119 66.881 1.00 46.52 C ATOM 1153 O ASP A 122 6.833 98.312 67.375 1.00 39.74 O ATOM 1154 CB ASP A 122 3.366 98.869 67.517 1.00 63.92 C ATOM 1155 CG ASP A 122 3.846 100.289 67.705 1.00 83.75 C ATOM 1156 OD1 ASP A 122 4.702 100.508 68.589 1.00 90.65 O ATOM 1157 OD2 ASP A 122 3.369 101.187 66.967 1.00 93.75 O ATOM 1158 H ASP A 122 5.404 98.487 69.584 1.00 0.00 H ATOM 1159 N ILE A 123 5.481 98.124 65.567 1.00 42.50 N ATOM 1160 CA ILE A 123 6.561 98.107 64.586 1.00 42.47 C ATOM 1161 C ILE A 123 7.506 99.301 64.753 1.00 44.64 C ATOM 1162 O ILE A 123 8.723 99.166 64.591 1.00 47.63 O ATOM 1163 CB ILE A 123 5.962 98.027 63.171 1.00 45.68 C ATOM 1164 CG1 ILE A 123 5.562 96.591 62.880 1.00 45.35 C ATOM 1165 CG2 ILE A 123 6.969 98.434 62.132 1.00 54.11 C ATOM 1166 CD1 ILE A 123 6.737 95.666 62.971 1.00 43.50 C ATOM 1167 H ILE A 123 4.497 98.141 65.231 1.00 0.00 H ATOM 1168 N SER A 124 6.986 100.473 65.109 1.00 41.53 N ATOM 1169 CA SER A 124 7.869 101.634 65.179 1.00 41.46 C ATOM 1170 C SER A 124 9.018 101.494 66.174 1.00 43.41 C ATOM 1171 O SER A 124 9.923 102.333 66.141 1.00 52.64 O ATOM 1172 CB SER A 124 7.077 102.877 65.550 1.00 41.28 C ATOM 1173 OG SER A 124 6.272 102.580 66.673 1.00 49.48 O ATOM 1174 HG SER A 124 5.654 101.840 66.448 1.00 0.00 H ATOM 1175 H SER A 124 5.974 100.560 65.332 1.00 0.00 H ATOM 1176 N MET A 125 9.014 100.500 67.067 1.00 35.06 N ATOM 1177 CA MET A 125 10.073 100.390 68.067 1.00 38.89 C ATOM 1178 C MET A 125 11.210 99.485 67.631 1.00 36.93 C ATOM 1179 O MET A 125 12.134 99.250 68.414 1.00 39.64 O ATOM 1180 CB MET A 125 9.515 99.876 69.392 1.00 43.97 C ATOM 1181 CG MET A 125 8.462 100.762 70.010 1.00 48.11 C ATOM 1182 SD MET A 125 7.522 99.840 71.250 1.00 58.48 S ATOM 1183 CE MET A 125 8.841 99.214 72.308 1.00 49.18 C ATOM 1184 H MET A 125 8.248 99.797 67.050 1.00 0.00 H ATOM 1185 N ILE A 126 11.164 98.999 66.392 1.00 35.28 N ATOM 1186 CA ILE A 126 12.111 98.014 65.884 1.00 35.81 C ATOM 1187 C ILE A 126 13.561 98.460 66.052 1.00 41.79 C ATOM 1188 O ILE A 126 14.433 97.642 66.371 1.00 48.07 O ATOM 1189 CB ILE A 126 11.751 97.723 64.416 1.00 32.48 C ATOM 1190 CG1 ILE A 126 12.567 96.568 63.870 1.00 30.28 C ATOM 1191 CG2 ILE A 126 11.885 98.990 63.543 1.00 26.35 C ATOM 1192 CD1 ILE A 126 12.017 96.102 62.549 1.00 31.72 C ATOM 1193 H ILE A 126 10.415 99.339 65.755 1.00 0.00 H ATOM 1194 N GLY A 127 13.849 99.748 65.848 1.00 36.59 N ATOM 1195 CA GLY A 127 15.205 100.250 66.000 1.00 40.02 C ATOM 1196 C GLY A 127 15.757 100.160 67.415 1.00 45.75 C ATOM 1197 O GLY A 127 16.980 100.092 67.594 1.00 50.76 O ATOM 1198 H GLY A 127 13.089 100.404 65.575 1.00 0.00 H ATOM 1199 N GLN A 128 14.885 100.167 68.426 1.00 41.04 N ATOM 1200 CA GLN A 128 15.338 99.924 69.789 1.00 37.73 C ATOM 1201 C GLN A 128 15.878 98.518 69.978 1.00 35.76 C ATOM 1202 O GLN A 128 16.436 98.222 71.033 1.00 41.23 O ATOM 1203 CB GLN A 128 14.202 100.169 70.768 1.00 33.42 C ATOM 1204 CG GLN A 128 13.628 101.564 70.675 1.00 56.26 C ATOM 1205 CD GLN A 128 12.399 101.733 71.553 1.00 61.91 C ATOM 1206 OE1 GLN A 128 12.189 100.971 72.505 1.00 62.95 O ATOM 1207 NE2 GLN A 128 11.572 102.726 71.230 1.00 66.52 N ATOM 1208 HE22 GLN A 128 11.790 103.342 70.421 1.00 0.00 H ATOM 1209 HE21 GLN A 128 10.708 102.886 71.787 1.00 0.00 H ATOM 1210 H GLN A 128 13.878 100.347 68.240 1.00 0.00 H ATOM 1211 N PHE A 129 15.734 97.650 68.985 1.00 38.56 N ATOM 1212 CA PHE A 129 16.258 96.296 69.057 1.00 40.21 C ATOM 1213 C PHE A 129 17.381 96.066 68.051 1.00 42.82 C ATOM 1214 O PHE A 129 17.782 94.913 67.829 1.00 44.95 O ATOM 1215 CB PHE A 129 15.123 95.288 68.863 1.00 35.84 C ATOM 1216 CG PHE A 129 14.123 95.307 69.972 1.00 34.49 C ATOM 1217 CD1 PHE A 129 13.088 96.218 69.968 1.00 33.94 C ATOM 1218 CD2 PHE A 129 14.220 94.413 71.034 1.00 36.65 C ATOM 1219 CE1 PHE A 129 12.172 96.245 71.008 1.00 35.95 C ATOM 1220 CE2 PHE A 129 13.293 94.436 72.071 1.00 34.79 C ATOM 1221 CZ PHE A 129 12.284 95.353 72.060 1.00 34.59 C ATOM 1222 H PHE A 129 15.229 97.948 68.126 1.00 0.00 H ATOM 1223 N GLY A 130 17.902 97.131 67.442 1.00 38.21 N ATOM 1224 CA GLY A 130 19.041 97.009 66.559 1.00 33.09 C ATOM 1225 C GLY A 130 18.763 96.379 65.217 1.00 32.89 C ATOM 1226 O GLY A 130 19.714 96.137 64.471 1.00 39.13 O ATOM 1227 H GLY A 130 17.481 98.068 67.605 1.00 0.00 H ATOM 1228 N VAL A 131 17.499 96.118 64.875 1.00 37.01 N ATOM 1229 CA VAL A 131 17.168 95.402 63.647 1.00 39.11 C ATOM 1230 C VAL A 131 16.249 96.230 62.749 1.00 38.18 C ATOM 1231 O VAL A 131 15.434 95.683 61.991 1.00 36.48 O ATOM 1232 CB VAL A 131 16.536 94.039 63.983 1.00 40.79 C ATOM 1233 CG1 VAL A 131 17.530 93.179 64.783 1.00 41.69 C ATOM 1234 CG2 VAL A 131 15.248 94.236 64.760 1.00 36.55 C ATOM 1235 H VAL A 131 16.730 96.433 65.500 1.00 0.00 H ATOM 1236 N GLY A 132 16.393 97.554 62.799 1.00 39.06 N ATOM 1237 CA GLY A 132 15.533 98.418 62.009 1.00 37.57 C ATOM 1238 C GLY A 132 15.660 98.218 60.514 1.00 39.78 C ATOM 1239 O GLY A 132 14.725 98.536 59.780 1.00 37.57 O ATOM 1240 H GLY A 132 17.126 97.971 63.408 1.00 0.00 H ATOM 1241 N PHE A 133 16.788 97.679 60.047 1.00 40.75 N ATOM 1242 CA PHE A 133 16.979 97.476 58.614 1.00 40.87 C ATOM 1243 C PHE A 133 15.835 96.680 57.999 1.00 39.98 C ATOM 1244 O PHE A 133 15.401 96.976 56.879 1.00 40.07 O ATOM 1245 CB PHE A 133 18.312 96.768 58.359 1.00 40.98 C ATOM 1246 CG PHE A 133 18.410 96.103 57.007 1.00 34.98 C ATOM 1247 CD1 PHE A 133 18.665 96.847 55.867 1.00 34.07 C ATOM 1248 CD2 PHE A 133 18.251 94.728 56.878 1.00 35.63 C ATOM 1249 CE1 PHE A 133 18.758 96.242 54.614 1.00 28.54 C ATOM 1250 CE2 PHE A 133 18.351 94.114 55.634 1.00 35.78 C ATOM 1251 CZ PHE A 133 18.606 94.877 54.503 1.00 29.86 C ATOM 1252 H PHE A 133 17.539 97.401 60.711 1.00 0.00 H ATOM 1253 N TYR A 134 15.333 95.666 58.715 1.00 35.59 N ATOM 1254 CA TYR A 134 14.319 94.795 58.134 1.00 39.40 C ATOM 1255 C TYR A 134 12.996 95.512 57.924 1.00 41.25 C ATOM 1256 O TYR A 134 12.152 95.005 57.177 1.00 39.19 O ATOM 1257 CB TYR A 134 14.126 93.544 59.000 1.00 39.45 C ATOM 1258 CG TYR A 134 15.400 92.743 59.081 1.00 42.88 C ATOM 1259 CD1 TYR A 134 15.848 92.001 57.984 1.00 43.23 C ATOM 1260 CD2 TYR A 134 16.189 92.766 60.233 1.00 41.47 C ATOM 1261 CE1 TYR A 134 17.037 91.286 58.042 1.00 44.51 C ATOM 1262 CE2 TYR A 134 17.381 92.064 60.291 1.00 42.85 C ATOM 1263 CZ TYR A 134 17.795 91.320 59.192 1.00 43.85 C ATOM 1264 OH TYR A 134 18.977 90.617 59.255 1.00 42.58 O ATOM 1265 HH TYR A 134 19.125 90.145 58.398 1.00 0.00 H ATOM 1266 H TYR A 134 15.667 95.500 59.686 1.00 0.00 H ATOM 1267 N SER A 135 12.814 96.692 58.531 1.00 38.14 N ATOM 1268 CA SER A 135 11.626 97.487 58.252 1.00 35.97 C ATOM 1269 C SER A 135 11.532 97.881 56.782 1.00 37.98 C ATOM 1270 O SER A 135 10.436 98.220 56.321 1.00 38.12 O ATOM 1271 CB SER A 135 11.584 98.730 59.150 1.00 34.46 C ATOM 1272 OG SER A 135 12.426 99.778 58.688 1.00 38.82 O ATOM 1273 HG SER A 135 13.363 99.459 58.659 1.00 0.00 H ATOM 1274 H SER A 135 13.525 97.042 59.205 1.00 0.00 H ATOM 1275 N ALA A 136 12.640 97.816 56.030 1.00 36.26 N ATOM 1276 CA ALA A 136 12.573 98.036 54.583 1.00 30.79 C ATOM 1277 C ALA A 136 11.487 97.200 53.924 1.00 29.68 C ATOM 1278 O ALA A 136 10.816 97.667 52.997 1.00 37.97 O ATOM 1279 CB ALA A 136 13.916 97.720 53.932 1.00 27.71 C ATOM 1280 H ALA A 136 13.555 97.608 56.478 1.00 0.00 H ATOM 1281 N TYR A 137 11.271 95.979 54.399 1.00 29.72 N ATOM 1282 CA TYR A 137 10.226 95.144 53.812 1.00 30.80 C ATOM 1283 C TYR A 137 8.809 95.602 54.138 1.00 35.23 C ATOM 1284 O TYR A 137 7.865 95.031 53.592 1.00 35.76 O ATOM 1285 CB TYR A 137 10.423 93.696 54.233 1.00 30.01 C ATOM 1286 CG TYR A 137 11.699 93.143 53.654 1.00 35.77 C ATOM 1287 CD1 TYR A 137 11.719 92.603 52.377 1.00 34.10 C ATOM 1288 CD2 TYR A 137 12.901 93.205 54.367 1.00 36.67 C ATOM 1289 CE1 TYR A 137 12.895 92.113 51.835 1.00 39.76 C ATOM 1290 CE2 TYR A 137 14.090 92.715 53.830 1.00 34.82 C ATOM 1291 CZ TYR A 137 14.083 92.174 52.568 1.00 38.74 C ATOM 1292 OH TYR A 137 15.239 91.683 52.013 1.00 41.66 O ATOM 1293 HH TYR A 137 15.047 91.335 51.106 1.00 0.00 H ATOM 1294 H TYR A 137 11.845 95.618 55.188 1.00 0.00 H ATOM 1295 N LEU A 138 8.610 96.628 54.963 1.00 41.00 N ATOM 1296 CA LEU A 138 7.281 97.233 54.986 1.00 47.70 C ATOM 1297 C LEU A 138 6.881 97.737 53.607 1.00 46.44 C ATOM 1298 O LEU A 138 5.700 97.678 53.248 1.00 40.32 O ATOM 1299 CB LEU A 138 7.223 98.386 55.990 1.00 48.25 C ATOM 1300 CG LEU A 138 7.498 97.998 57.440 1.00 42.69 C ATOM 1301 CD1 LEU A 138 7.790 99.253 58.237 1.00 43.43 C ATOM 1302 CD2 LEU A 138 6.347 97.220 58.020 1.00 30.06 C ATOM 1303 H LEU A 138 9.375 96.986 55.570 1.00 0.00 H ATOM 1304 N VAL A 139 7.841 98.238 52.827 1.00 46.76 N ATOM 1305 CA VAL A 139 7.528 98.868 51.550 1.00 46.70 C ATOM 1306 C VAL A 139 8.152 98.164 50.359 1.00 45.20 C ATOM 1307 O VAL A 139 7.709 98.397 49.228 1.00 41.89 O ATOM 1308 CB VAL A 139 7.931 100.354 51.554 1.00 42.75 C ATOM 1309 CG1 VAL A 139 7.103 101.090 52.595 1.00 39.44 C ATOM 1310 CG2 VAL A 139 9.455 100.507 51.784 1.00 37.17 C ATOM 1311 H VAL A 139 8.832 98.178 53.136 1.00 0.00 H ATOM 1312 N ALA A 140 9.129 97.291 50.557 1.00 45.79 N ATOM 1313 CA ALA A 140 9.851 96.667 49.464 1.00 42.51 C ATOM 1314 C ALA A 140 9.483 95.193 49.357 1.00 42.89 C ATOM 1315 O ALA A 140 9.328 94.501 50.367 1.00 43.93 O ATOM 1316 CB ALA A 140 11.359 96.831 49.678 1.00 33.81 C ATOM 1317 H ALA A 140 9.388 97.044 51.533 1.00 0.00 H ATOM 1318 N GLU A 141 9.354 94.706 48.136 1.00 45.80 N ATOM 1319 CA GLU A 141 9.272 93.263 47.952 1.00 49.36 C ATOM 1320 C GLU A 141 10.649 92.625 47.830 1.00 51.88 C ATOM 1321 O GLU A 141 10.781 91.415 48.023 1.00 51.75 O ATOM 1322 CB GLU A 141 8.410 92.913 46.730 1.00 45.78 C ATOM 1323 CG GLU A 141 8.713 93.668 45.453 1.00 55.33 C ATOM 1324 CD GLU A 141 7.816 93.200 44.307 1.00 75.21 C ATOM 1325 OE1 GLU A 141 6.798 92.526 44.610 1.00 88.18 O ATOM 1326 OE2 GLU A 141 8.122 93.485 43.120 1.00 76.07 O ATOM 1327 H GLU A 141 9.311 95.345 47.316 1.00 0.00 H ATOM 1328 N LYS A 142 11.679 93.424 47.570 1.00 51.77 N ATOM 1329 CA LYS A 142 13.015 92.916 47.334 1.00 48.64 C ATOM 1330 C LYS A 142 13.998 94.016 47.672 1.00 45.77 C ATOM 1331 O LYS A 142 13.837 95.156 47.230 1.00 49.59 O ATOM 1332 CB LYS A 142 13.204 92.472 45.884 1.00 48.72 C ATOM 1333 CG LYS A 142 14.631 92.070 45.543 1.00 46.99 C ATOM 1334 CD LYS A 142 14.709 91.465 44.146 1.00 56.10 C ATOM 1335 CE LYS A 142 16.000 91.858 43.450 1.00 66.84 C ATOM 1336 NZ LYS A 142 16.598 90.776 42.615 1.00 73.17 N ATOM 1337 HZ1 LYS A 142 16.812 89.954 43.216 1.00 0.00 H ATOM 1338 HZ2 LYS A 142 15.923 90.499 41.874 1.00 0.00 H ATOM 1339 HZ3 LYS A 142 17.474 91.123 42.175 1.00 0.00 H ATOM 1340 H LYS A 142 11.520 94.451 47.535 1.00 0.00 H ATOM 1341 N VAL A 143 15.012 93.666 48.452 1.00 40.32 N ATOM 1342 CA VAL A 143 15.999 94.622 48.929 1.00 39.52 C ATOM 1343 C VAL A 143 17.386 94.149 48.521 1.00 45.22 C ATOM 1344 O VAL A 143 17.719 92.963 48.663 1.00 52.82 O ATOM 1345 CB VAL A 143 15.916 94.815 50.453 1.00 36.50 C ATOM 1346 CG1 VAL A 143 17.061 95.694 50.939 1.00 34.44 C ATOM 1347 CG2 VAL A 143 14.577 95.441 50.818 1.00 33.00 C ATOM 1348 H VAL A 143 15.105 92.669 48.734 1.00 0.00 H ATOM 1349 N VAL A 144 18.186 95.081 48.014 1.00 36.72 N ATOM 1350 CA VAL A 144 19.557 94.847 47.588 1.00 37.68 C ATOM 1351 C VAL A 144 20.442 95.762 48.425 1.00 41.90 C ATOM 1352 O VAL A 144 20.079 96.917 48.655 1.00 52.10 O ATOM 1353 CB VAL A 144 19.717 95.135 46.084 1.00 34.33 C ATOM 1354 CG1 VAL A 144 21.162 95.067 45.668 1.00 36.51 C ATOM 1355 CG2 VAL A 144 18.886 94.177 45.278 1.00 35.58 C ATOM 1356 H VAL A 144 17.806 96.044 47.915 1.00 0.00 H ATOM 1357 N VAL A 145 21.575 95.249 48.902 1.00 39.86 N ATOM 1358 CA VAL A 145 22.542 96.033 49.677 1.00 38.22 C ATOM 1359 C VAL A 145 23.899 95.897 48.995 1.00 41.98 C ATOM 1360 O VAL A 145 24.407 94.776 48.836 1.00 44.30 O ATOM 1361 CB VAL A 145 22.626 95.572 51.146 1.00 36.80 C ATOM 1362 CG1 VAL A 145 23.609 96.397 51.894 1.00 37.65 C ATOM 1363 CG2 VAL A 145 21.283 95.653 51.848 1.00 33.16 C ATOM 1364 H VAL A 145 21.783 94.247 48.716 1.00 0.00 H ATOM 1365 N ILE A 146 24.476 97.028 48.582 1.00 40.06 N ATOM 1366 CA ILE A 146 25.815 97.085 47.999 1.00 43.06 C ATOM 1367 C ILE A 146 26.728 97.766 48.998 1.00 39.47 C ATOM 1368 O ILE A 146 26.433 98.876 49.456 1.00 43.45 O ATOM 1369 CB ILE A 146 25.852 97.860 46.669 1.00 48.70 C ATOM 1370 CG1 ILE A 146 24.749 97.406 45.712 1.00 56.96 C ATOM 1371 CG2 ILE A 146 27.218 97.721 46.043 1.00 38.75 C ATOM 1372 CD1 ILE A 146 24.962 96.043 45.144 1.00 61.82 C ATOM 1373 H ILE A 146 23.944 97.916 48.680 1.00 0.00 H ATOM 1374 N THR A 147 27.857 97.147 49.299 1.00 37.02 N ATOM 1375 CA THR A 147 28.669 97.708 50.359 1.00 44.78 C ATOM 1376 C THR A 147 30.146 97.599 50.020 1.00 47.94 C ATOM 1377 O THR A 147 30.574 96.693 49.299 1.00 49.14 O ATOM 1378 CB THR A 147 28.354 97.023 51.694 1.00 46.56 C ATOM 1379 OG1 THR A 147 28.965 97.754 52.762 1.00 46.48 O ATOM 1380 CG2 THR A 147 28.839 95.580 51.685 1.00 46.24 C ATOM 1381 HG1 THR A 147 28.610 98.678 52.773 1.00 0.00 H ATOM 1382 H THR A 147 28.151 96.288 48.793 1.00 0.00 H ATOM 1383 N LYS A 148 30.919 98.550 50.542 1.00 45.08 N ATOM 1384 CA LYS A 148 32.352 98.619 50.278 1.00 46.32 C ATOM 1385 C LYS A 148 33.046 99.195 51.502 1.00 47.12 C ATOM 1386 O LYS A 148 32.884 100.379 51.832 1.00 48.70 O ATOM 1387 CB LYS A 148 32.656 99.462 49.045 1.00 51.22 C ATOM 1388 CG LYS A 148 34.138 99.681 48.822 1.00 53.96 C ATOM 1389 CD LYS A 148 34.857 98.360 48.623 1.00 52.56 C ATOM 1390 CE LYS A 148 36.278 98.590 48.168 1.00 52.90 C ATOM 1391 NZ LYS A 148 37.088 99.186 49.258 1.00 55.17 N ATOM 1392 HZ1 LYS A 148 36.673 100.097 49.538 1.00 0.00 H ATOM 1393 HZ2 LYS A 148 37.096 98.542 50.074 1.00 0.00 H ATOM 1394 HZ3 LYS A 148 38.061 99.335 48.923 1.00 0.00 H ATOM 1395 H LYS A 148 30.486 99.267 51.158 1.00 0.00 H ATOM 1396 N HIS A 149 33.825 98.356 52.157 1.00 46.15 N ATOM 1397 CA HIS A 149 34.630 98.717 53.308 1.00 48.04 C ATOM 1398 C HIS A 149 36.081 98.880 52.872 1.00 55.29 C ATOM 1399 O HIS A 149 36.542 98.215 51.941 1.00 63.07 O ATOM 1400 CB HIS A 149 34.508 97.633 54.379 1.00 51.05 C ATOM 1401 CG HIS A 149 35.057 98.025 55.710 1.00 58.86 C ATOM 1402 ND1 HIS A 149 36.404 97.988 55.999 1.00 64.96 N ATOM 1403 CD2 HIS A 149 34.438 98.439 56.840 1.00 59.31 C ATOM 1404 CE1 HIS A 149 36.592 98.375 57.246 1.00 67.95 C ATOM 1405 NE2 HIS A 149 35.415 98.655 57.779 1.00 64.10 N ATOM 1406 H HIS A 149 33.865 97.371 51.826 1.00 0.00 H ATOM 1407 N ASN A 150 36.808 99.765 53.556 1.00 54.80 N ATOM 1408 CA ASN A 150 38.196 100.013 53.171 1.00 59.67 C ATOM 1409 C ASN A 150 39.030 98.741 53.129 1.00 65.46 C ATOM 1410 O ASN A 150 39.987 98.648 52.354 1.00 71.70 O ATOM 1411 CB ASN A 150 38.844 101.011 54.126 1.00 57.70 C ATOM 1412 CG ASN A 150 38.512 102.430 53.774 1.00 59.14 C ATOM 1413 OD1 ASN A 150 38.172 102.732 52.632 1.00 56.91 O ATOM 1414 ND2 ASN A 150 38.610 103.316 54.749 1.00 62.99 N ATOM 1415 HD22 ASN A 150 38.902 103.013 55.700 1.00 0.00 H ATOM 1416 HD21 ASN A 150 38.395 104.317 54.566 1.00 0.00 H ATOM 1417 H ASN A 150 36.389 100.276 54.359 1.00 0.00 H ATOM 1418 N ASP A 151 38.686 97.748 53.934 1.00 67.77 N ATOM 1419 CA ASP A 151 39.536 96.579 54.089 1.00 76.01 C ATOM 1420 C ASP A 151 39.074 95.386 53.252 1.00 71.37 C ATOM 1421 O ASP A 151 39.572 94.275 53.448 1.00 70.99 O ATOM 1422 CB ASP A 151 39.621 96.208 55.578 1.00 82.89 C ATOM 1423 CG ASP A 151 40.153 97.362 56.443 1.00 85.73 C ATOM 1424 OD1 ASP A 151 40.862 98.245 55.902 1.00 93.53 O ATOM 1425 OD2 ASP A 151 39.870 97.383 57.660 1.00 79.39 O ATOM 1426 H ASP A 151 37.793 97.805 54.464 1.00 0.00 H ATOM 1427 N ASP A 152 38.144 95.584 52.322 1.00 70.27 N ATOM 1428 CA ASP A 152 37.599 94.471 51.557 1.00 71.05 C ATOM 1429 C ASP A 152 37.178 94.980 50.180 1.00 67.23 C ATOM 1430 O ASP A 152 37.295 96.169 49.872 1.00 62.76 O ATOM 1431 CB ASP A 152 36.433 93.816 52.311 1.00 70.12 C ATOM 1432 CG ASP A 152 36.285 92.331 52.002 1.00 73.80 C ATOM 1433 OD1 ASP A 152 36.888 91.853 51.009 1.00 78.47 O ATOM 1434 OD2 ASP A 152 35.544 91.646 52.749 1.00 72.32 O ATOM 1435 H ASP A 152 37.801 96.548 52.138 1.00 0.00 H ATOM 1436 N GLU A 153 36.700 94.061 49.339 1.00 65.43 N ATOM 1437 CA GLU A 153 36.162 94.444 48.044 1.00 60.26 C ATOM 1438 C GLU A 153 34.676 94.762 48.179 1.00 51.55 C ATOM 1439 O GLU A 153 34.062 94.581 49.232 1.00 47.50 O ATOM 1440 CB GLU A 153 36.397 93.347 47.005 1.00 62.07 C ATOM 1441 CG GLU A 153 37.869 93.085 46.670 1.00 65.39 C ATOM 1442 CD GLU A 153 38.555 94.259 45.996 1.00 65.80 C ATOM 1443 OE1 GLU A 153 38.903 95.233 46.694 1.00 63.94 O ATOM 1444 OE2 GLU A 153 38.750 94.205 44.764 1.00 68.66 O ATOM 1445 H GLU A 153 36.712 93.058 49.613 1.00 0.00 H ATOM 1446 N GLN A 154 34.093 95.247 47.092 1.00 56.24 N ATOM 1447 CA GLN A 154 32.673 95.556 47.054 1.00 52.38 C ATOM 1448 C GLN A 154 31.859 94.268 46.988 1.00 53.23 C ATOM 1449 O GLN A 154 32.232 93.316 46.300 1.00 63.99 O ATOM 1450 CB GLN A 154 32.376 96.452 45.847 1.00 49.02 C ATOM 1451 CG GLN A 154 31.184 97.365 46.038 1.00 50.72 C ATOM 1452 CD GLN A 154 31.188 98.549 45.087 1.00 59.59 C ATOM 1453 OE1 GLN A 154 32.092 99.402 45.128 1.00 67.03 O ATOM 1454 NE2 GLN A 154 30.175 98.612 44.219 1.00 58.40 N ATOM 1455 HE22 GLN A 154 29.441 97.875 44.222 1.00 0.00 H ATOM 1456 HE21 GLN A 154 30.120 99.398 43.540 1.00 0.00 H ATOM 1457 H GLN A 154 34.668 95.411 46.241 1.00 0.00 H ATOM 1458 N TYR A 155 30.751 94.226 47.714 1.00 50.02 N ATOM 1459 CA TYR A 155 29.920 93.032 47.741 1.00 42.84 C ATOM 1460 C TYR A 155 28.453 93.417 47.639 1.00 45.36 C ATOM 1461 O TYR A 155 28.035 94.484 48.100 1.00 47.55 O ATOM 1462 CB TYR A 155 30.184 92.178 49.008 1.00 42.19 C ATOM 1463 CG TYR A 155 31.465 91.387 48.918 1.00 51.81 C ATOM 1464 CD1 TYR A 155 31.517 90.177 48.241 1.00 59.70 C ATOM 1465 CD2 TYR A 155 32.635 91.861 49.487 1.00 57.63 C ATOM 1466 CE1 TYR A 155 32.704 89.462 48.138 1.00 66.54 C ATOM 1467 CE2 TYR A 155 33.819 91.155 49.396 1.00 63.54 C ATOM 1468 CZ TYR A 155 33.856 89.956 48.719 1.00 69.34 C ATOM 1469 OH TYR A 155 35.056 89.260 48.632 1.00 75.91 O ATOM 1470 HH TYR A 155 34.916 88.426 48.118 1.00 0.00 H ATOM 1471 H TYR A 155 30.472 95.058 48.272 1.00 0.00 H ATOM 1472 N ALA A 156 27.674 92.532 47.025 1.00 45.17 N ATOM 1473 CA ALA A 156 26.237 92.705 46.875 1.00 47.14 C ATOM 1474 C ALA A 156 25.501 91.644 47.682 1.00 49.82 C ATOM 1475 O ALA A 156 25.875 90.468 47.676 1.00 58.80 O ATOM 1476 CB ALA A 156 25.827 92.626 45.408 1.00 43.04 C ATOM 1477 H ALA A 156 28.113 91.674 46.633 1.00 0.00 H ATOM 1478 N TRP A 157 24.454 92.083 48.370 1.00 46.01 N ATOM 1479 CA TRP A 157 23.553 91.268 49.177 1.00 38.39 C ATOM 1480 C TRP A 157 22.139 91.503 48.661 1.00 40.28 C ATOM 1481 O TRP A 157 21.813 92.612 48.203 1.00 38.82 O ATOM 1482 CB TRP A 157 23.664 91.683 50.643 1.00 33.30 C ATOM 1483 CG TRP A 157 22.850 90.935 51.654 1.00 37.93 C ATOM 1484 CD1 TRP A 157 23.330 90.038 52.545 1.00 44.72 C ATOM 1485 CD2 TRP A 157 21.438 91.081 51.957 1.00 39.31 C ATOM 1486 NE1 TRP A 157 22.325 89.581 53.356 1.00 42.87 N ATOM 1487 CE2 TRP A 157 21.157 90.207 53.018 1.00 40.13 C ATOM 1488 CE3 TRP A 157 20.387 91.855 51.424 1.00 38.64 C ATOM 1489 CZ2 TRP A 157 19.884 90.079 53.563 1.00 45.85 C ATOM 1490 CZ3 TRP A 157 19.117 91.715 51.965 1.00 37.58 C ATOM 1491 CH2 TRP A 157 18.880 90.836 53.025 1.00 41.11 C ATOM 1492 HE1 TRP A 157 22.433 88.871 54.109 1.00 0.00 H ATOM 1493 H TRP A 157 24.258 93.104 48.330 1.00 0.00 H ATOM 1494 N GLU A 158 21.305 90.464 48.715 1.00 36.64 N ATOM 1495 CA GLU A 158 19.969 90.541 48.141 1.00 40.86 C ATOM 1496 C GLU A 158 19.065 89.546 48.852 1.00 42.65 C ATOM 1497 O GLU A 158 19.485 88.430 49.167 1.00 45.23 O ATOM 1498 CB GLU A 158 19.987 90.252 46.630 1.00 47.13 C ATOM 1499 CG GLU A 158 18.648 90.436 45.927 1.00 67.52 C ATOM 1500 CD GLU A 158 17.747 89.199 46.003 1.00 90.13 C ATOM 1501 OE1 GLU A 158 18.279 88.069 46.080 1.00 93.80 O ATOM 1502 OE2 GLU A 158 16.504 89.354 45.989 1.00102.78 O ATOM 1503 H GLU A 158 21.614 89.584 49.175 1.00 0.00 H ATOM 1504 N SER A 159 17.809 89.943 49.069 1.00 41.37 N ATOM 1505 CA SER A 159 16.800 89.030 49.588 1.00 39.12 C ATOM 1506 C SER A 159 15.408 89.526 49.217 1.00 43.99 C ATOM 1507 O SER A 159 15.128 90.727 49.273 1.00 47.97 O ATOM 1508 CB SER A 159 16.896 88.899 51.109 1.00 33.93 C ATOM 1509 OG SER A 159 16.010 87.891 51.558 1.00 37.88 O ATOM 1510 HG SER A 159 16.253 87.028 51.138 1.00 0.00 H ATOM 1511 H SER A 159 17.545 90.927 48.863 1.00 0.00 H ATOM 1512 N SER A 160 14.535 88.587 48.865 1.00 45.92 N ATOM 1513 CA SER A 160 13.115 88.851 48.670 1.00 43.66 C ATOM 1514 C SER A 160 12.277 88.325 49.821 1.00 44.77 C ATOM 1515 O SER A 160 11.075 88.101 49.657 1.00 49.94 O ATOM 1516 CB SER A 160 12.629 88.232 47.364 1.00 44.73 C ATOM 1517 OG SER A 160 13.256 88.852 46.260 1.00 48.89 O ATOM 1518 HG SER A 160 14.236 88.732 46.329 1.00 0.00 H ATOM 1519 H SER A 160 14.882 87.617 48.722 1.00 0.00 H ATOM 1520 N ALA A 161 12.905 88.070 50.965 1.00 42.76 N ATOM 1521 CA ALA A 161 12.215 87.629 52.174 1.00 47.56 C ATOM 1522 C ALA A 161 11.603 86.242 52.006 1.00 56.04 C ATOM 1523 O ALA A 161 10.597 85.915 52.648 1.00 68.25 O ATOM 1524 CB ALA A 161 11.147 88.640 52.617 1.00 39.09 C ATOM 1525 H ALA A 161 13.937 88.190 51.000 1.00 0.00 H ATOM 1526 N GLY A 162 12.211 85.409 51.168 1.00 48.17 N ATOM 1527 CA GLY A 162 11.722 84.057 51.008 1.00 46.16 C ATOM 1528 C GLY A 162 12.371 83.032 51.908 1.00 45.59 C ATOM 1529 O GLY A 162 12.255 81.830 51.644 1.00 50.01 O ATOM 1530 H GLY A 162 13.039 85.729 50.627 1.00 0.00 H ATOM 1531 N GLY A 163 13.057 83.465 52.964 1.00 44.56 N ATOM 1532 CA GLY A 163 13.867 82.594 53.797 1.00 45.97 C ATOM 1533 C GLY A 163 15.350 82.650 53.496 1.00 49.11 C ATOM 1534 O GLY A 163 16.144 82.132 54.290 1.00 46.19 O ATOM 1535 H GLY A 163 13.010 84.476 53.204 1.00 0.00 H ATOM 1536 N SER A 164 15.754 83.266 52.385 1.00 52.28 N ATOM 1537 CA SER A 164 17.132 83.169 51.939 1.00 51.36 C ATOM 1538 C SER A 164 17.636 84.525 51.488 1.00 43.43 C ATOM 1539 O SER A 164 16.871 85.457 51.251 1.00 43.91 O ATOM 1540 CB SER A 164 17.285 82.163 50.801 1.00 61.92 C ATOM 1541 OG SER A 164 16.835 80.883 51.213 1.00 73.82 O ATOM 1542 HG SER A 164 16.940 80.242 50.466 1.00 0.00 H ATOM 1543 H SER A 164 15.073 83.823 51.831 1.00 0.00 H ATOM 1544 N PHE A 165 18.954 84.630 51.403 1.00 39.96 N ATOM 1545 CA PHE A 165 19.602 85.768 50.781 1.00 39.05 C ATOM 1546 C PHE A 165 20.784 85.237 49.993 1.00 43.71 C ATOM 1547 O PHE A 165 21.209 84.078 50.151 1.00 50.02 O ATOM 1548 CB PHE A 165 20.037 86.815 51.820 1.00 35.42 C ATOM 1549 CG PHE A 165 21.079 86.319 52.749 1.00 39.37 C ATOM 1550 CD1 PHE A 165 20.720 85.618 53.885 1.00 41.74 C ATOM 1551 CD2 PHE A 165 22.430 86.527 52.485 1.00 41.96 C ATOM 1552 CE1 PHE A 165 21.689 85.141 54.761 1.00 45.56 C ATOM 1553 CE2 PHE A 165 23.401 86.043 53.352 1.00 44.32 C ATOM 1554 CZ PHE A 165 23.032 85.352 54.487 1.00 45.03 C ATOM 1555 H PHE A 165 19.544 83.869 51.796 1.00 0.00 H ATOM 1556 N THR A 166 21.292 86.072 49.105 1.00 41.30 N ATOM 1557 CA THR A 166 22.475 85.713 48.344 1.00 47.53 C ATOM 1558 C THR A 166 23.497 86.809 48.549 1.00 44.82 C ATOM 1559 O THR A 166 23.159 87.936 48.919 1.00 39.35 O ATOM 1560 CB THR A 166 22.194 85.513 46.841 1.00 51.79 C ATOM 1561 OG1 THR A 166 21.899 86.774 46.231 1.00 56.60 O ATOM 1562 CG2 THR A 166 21.025 84.574 46.637 1.00 47.99 C ATOM 1563 HG1 THR A 166 21.720 86.639 45.267 1.00 0.00 H ATOM 1564 H THR A 166 20.840 86.996 48.949 1.00 0.00 H ATOM 1565 N VAL A 167 24.757 86.452 48.351 1.00 43.32 N ATOM 1566 CA VAL A 167 25.841 87.414 48.442 1.00 46.68 C ATOM 1567 C VAL A 167 26.770 87.147 47.279 1.00 49.01 C ATOM 1568 O VAL A 167 27.042 85.989 46.946 1.00 60.14 O ATOM 1569 CB VAL A 167 26.585 87.334 49.789 1.00 49.54 C ATOM 1570 CG1 VAL A 167 27.108 85.942 50.012 1.00 58.42 C ATOM 1571 CG2 VAL A 167 27.725 88.343 49.824 1.00 48.82 C ATOM 1572 H VAL A 167 24.975 85.460 48.125 1.00 0.00 H ATOM 1573 N ARG A 168 27.215 88.205 46.621 1.00 46.24 N ATOM 1574 CA ARG A 168 28.102 88.024 45.484 1.00 49.90 C ATOM 1575 C ARG A 168 29.065 89.193 45.430 1.00 53.83 C ATOM 1576 O ARG A 168 28.742 90.303 45.864 1.00 53.88 O ATOM 1577 CB ARG A 168 27.317 87.916 44.181 1.00 52.19 C ATOM 1578 CG ARG A 168 26.714 89.232 43.696 1.00 53.41 C ATOM 1579 CD ARG A 168 25.758 88.979 42.552 1.00 58.78 C ATOM 1580 NE ARG A 168 24.458 88.567 43.066 1.00 68.07 N ATOM 1581 CZ ARG A 168 23.648 87.693 42.477 1.00 72.66 C ATOM 1582 NH1 ARG A 168 24.004 87.103 41.337 1.00 77.37 N ATOM 1583 NH2 ARG A 168 22.481 87.404 43.041 1.00 66.05 N ATOM 1584 HE ARG A 168 24.140 88.989 43.962 1.00 0.00 H ATOM 1585 HH12 ARG A 168 23.364 86.420 40.883 1.00 0.00 H ATOM 1586 HH11 ARG A 168 24.922 87.325 40.901 1.00 0.00 H ATOM 1587 HH22 ARG A 168 21.840 86.722 42.589 1.00 0.00 H ATOM 1588 HH21 ARG A 168 22.208 87.860 43.935 1.00 0.00 H ATOM 1589 H ARG A 168 26.932 89.161 46.916 1.00 0.00 H ATOM 1590 N ALA A 169 30.256 88.931 44.912 1.00 57.09 N ATOM 1591 CA ALA A 169 31.158 90.017 44.564 1.00 57.03 C ATOM 1592 C ALA A 169 30.487 90.889 43.510 1.00 62.02 C ATOM 1593 O ALA A 169 30.124 90.400 42.436 1.00 56.94 O ATOM 1594 CB ALA A 169 32.476 89.448 44.048 1.00 59.77 C ATOM 1595 H ALA A 169 30.547 87.945 44.754 1.00 0.00 H ATOM 1596 N ASP A 170 30.265 92.165 43.829 1.00 76.03 N ATOM 1597 CA ASP A 170 29.588 93.064 42.900 1.00 84.79 C ATOM 1598 C ASP A 170 30.634 93.795 42.076 1.00 90.97 C ATOM 1599 O ASP A 170 31.414 94.595 42.606 1.00 90.04 O ATOM 1600 CB ASP A 170 28.681 94.061 43.614 1.00 88.17 C ATOM 1601 CG ASP A 170 27.981 95.009 42.643 1.00 99.00 C ATOM 1602 OD1 ASP A 170 28.567 96.062 42.322 1.00102.25 O ATOM 1603 OD2 ASP A 170 26.847 94.706 42.205 1.00104.43 O ATOM 1604 H ASP A 170 30.579 92.524 44.753 1.00 0.00 H ATOM 1605 N HIS A 171 30.655 93.507 40.785 1.00 96.48 N ATOM 1606 CA HIS A 171 31.379 94.312 39.812 1.00102.03 C ATOM 1607 C HIS A 171 30.328 95.218 39.176 1.00 99.64 C ATOM 1608 O HIS A 171 29.717 94.879 38.164 1.00106.21 O ATOM 1609 CB HIS A 171 32.096 93.430 38.796 1.00108.21 C ATOM 1610 CG HIS A 171 32.944 92.361 39.416 1.00105.65 C ATOM 1611 ND1 HIS A 171 32.487 91.078 39.638 1.00105.83 N ATOM 1612 CD2 HIS A 171 34.222 92.388 39.866 1.00104.08 C ATOM 1613 CE1 HIS A 171 33.447 90.362 40.196 1.00107.42 C ATOM 1614 NE2 HIS A 171 34.510 91.132 40.345 1.00105.80 N ATOM 1615 H HIS A 171 30.133 92.672 40.452 1.00 0.00 H ATOM 1616 N GLY A 172 30.076 96.353 39.822 1.00 89.71 N ATOM 1617 CA GLY A 172 29.187 97.364 39.287 1.00 85.45 C ATOM 1618 C GLY A 172 29.788 98.737 39.489 1.00 85.71 C ATOM 1619 O GLY A 172 31.012 98.858 39.615 1.00 83.10 O ATOM 1620 H GLY A 172 30.532 96.520 40.742 1.00 0.00 H ATOM 1621 N GLU A 173 28.937 99.781 39.527 1.00 87.06 N ATOM 1622 CA GLU A 173 29.359 101.140 39.860 1.00 80.36 C ATOM 1623 C GLU A 173 30.161 101.107 41.153 1.00 71.31 C ATOM 1624 O GLU A 173 29.627 100.745 42.212 1.00 63.74 O ATOM 1625 CB GLU A 173 28.168 102.086 40.024 1.00 74.35 C ATOM 1626 CG GLU A 173 27.177 102.098 38.878 1.00 74.87 C ATOM 1627 CD GLU A 173 25.961 102.951 39.188 1.00 71.18 C ATOM 1628 OE1 GLU A 173 25.672 103.170 40.385 1.00 66.57 O ATOM 1629 OE2 GLU A 173 25.298 103.411 38.234 1.00 73.50 O ATOM 1630 H GLU A 173 27.934 99.612 39.309 1.00 0.00 H ATOM 1631 N PRO A 174 31.447 101.449 41.096 1.00 69.19 N ATOM 1632 CA PRO A 174 32.263 101.533 42.319 1.00 72.54 C ATOM 1633 C PRO A 174 31.780 102.674 43.208 1.00 70.53 C ATOM 1634 O PRO A 174 31.735 103.832 42.785 1.00 77.16 O ATOM 1635 CB PRO A 174 33.681 101.780 41.784 1.00 71.88 C ATOM 1636 CG PRO A 174 33.471 102.345 40.397 1.00 76.01 C ATOM 1637 CD PRO A 174 32.206 101.755 39.874 1.00 74.68 C ATOM 1638 N ILE A 175 31.385 102.339 44.442 1.00 62.21 N ATOM 1639 CA ILE A 175 30.883 103.353 45.369 1.00 59.69 C ATOM 1640 C ILE A 175 31.981 103.941 46.248 1.00 61.99 C ATOM 1641 O ILE A 175 31.700 104.843 47.047 1.00 64.88 O ATOM 1642 CB ILE A 175 29.769 102.816 46.297 1.00 58.20 C ATOM 1643 CG1 ILE A 175 30.328 101.807 47.296 1.00 61.01 C ATOM 1644 CG2 ILE A 175 28.603 102.197 45.513 1.00 53.96 C ATOM 1645 CD1 ILE A 175 29.300 101.371 48.310 1.00 57.50 C ATOM 1646 H ILE A 175 31.436 101.346 44.746 1.00 0.00 H ATOM 1647 N GLY A 176 33.212 103.448 46.146 1.00 64.51 N ATOM 1648 CA GLY A 176 34.322 103.974 46.919 1.00 60.84 C ATOM 1649 C GLY A 176 34.355 103.501 48.354 1.00 58.72 C ATOM 1650 O GLY A 176 35.316 102.855 48.794 1.00 59.37 O ATOM 1651 H GLY A 176 33.385 102.659 45.491 1.00 0.00 H ATOM 1652 N ARG A 177 33.299 103.816 49.099 1.00 51.69 N ATOM 1653 CA ARG A 177 33.223 103.388 50.487 1.00 52.55 C ATOM 1654 C ARG A 177 31.835 103.674 50.990 1.00 48.11 C ATOM 1655 O ARG A 177 31.249 104.701 50.638 1.00 47.83 O ATOM 1656 CB ARG A 177 34.251 104.101 51.369 1.00 53.47 C ATOM 1657 CG ARG A 177 34.215 103.720 52.850 1.00 52.65 C ATOM 1658 CD ARG A 177 35.272 104.489 53.628 1.00 63.27 C ATOM 1659 NE ARG A 177 35.182 105.937 53.382 1.00 67.50 N ATOM 1660 CZ ARG A 177 34.185 106.672 53.817 1.00 68.98 C ATOM 1661 NH1 ARG A 177 33.223 106.095 54.518 1.00 68.39 N ATOM 1662 NH2 ARG A 177 34.150 107.953 53.540 1.00 49.86 N ATOM 1663 HE ARG A 177 35.941 106.398 52.840 1.00 0.00 H ATOM 1664 HH12 ARG A 177 32.425 106.661 54.871 1.00 0.00 H ATOM 1665 HH11 ARG A 177 33.264 105.075 54.716 1.00 0.00 H ATOM 1666 HH22 ARG A 177 33.362 108.538 53.883 1.00 0.00 H ATOM 1667 HH21 ARG A 177 34.911 108.384 52.977 1.00 0.00 H ATOM 1668 H ARG A 177 32.523 104.372 48.686 1.00 0.00 H ATOM 1669 N GLY A 178 31.299 102.741 51.771 1.00 46.22 N ATOM 1670 CA GLY A 178 29.989 102.912 52.338 1.00 42.39 C ATOM 1671 C GLY A 178 29.022 101.866 51.849 1.00 45.95 C ATOM 1672 O GLY A 178 29.429 100.758 51.447 1.00 51.37 O ATOM 1673 H GLY A 178 31.836 101.874 51.975 1.00 0.00 H ATOM 1674 N THR A 179 27.745 102.220 51.878 1.00 40.36 N ATOM 1675 CA THR A 179 26.674 101.273 51.662 1.00 41.20 C ATOM 1676 C THR A 179 25.637 101.955 50.794 1.00 42.75 C ATOM 1677 O THR A 179 25.456 103.175 50.882 1.00 40.45 O ATOM 1678 CB THR A 179 26.081 100.813 52.997 1.00 40.12 C ATOM 1679 OG1 THR A 179 27.068 100.054 53.704 1.00 44.88 O ATOM 1680 CG2 THR A 179 24.839 99.963 52.800 1.00 36.35 C ATOM 1681 HG1 THR A 179 26.693 99.752 54.569 1.00 0.00 H ATOM 1682 H THR A 179 27.505 103.215 52.063 1.00 0.00 H ATOM 1683 N LYS A 180 25.028 101.165 49.912 1.00 41.04 N ATOM 1684 CA LYS A 180 23.940 101.576 49.046 1.00 41.89 C ATOM 1685 C LYS A 180 22.844 100.534 49.184 1.00 44.97 C ATOM 1686 O LYS A 180 23.115 99.330 49.135 1.00 44.84 O ATOM 1687 CB LYS A 180 24.397 101.683 47.588 1.00 48.69 C ATOM 1688 CG LYS A 180 23.254 101.863 46.610 1.00 53.20 C ATOM 1689 CD LYS A 180 23.694 101.779 45.157 1.00 57.22 C ATOM 1690 CE LYS A 180 24.732 102.821 44.812 1.00 68.77 C ATOM 1691 NZ LYS A 180 24.952 102.926 43.325 1.00 79.57 N ATOM 1692 HZ1 LYS A 180 25.277 102.009 42.958 1.00 0.00 H ATOM 1693 HZ2 LYS A 180 24.059 103.190 42.861 1.00 0.00 H ATOM 1694 HZ3 LYS A 180 25.671 103.652 43.133 1.00 0.00 H ATOM 1695 H LYS A 180 25.357 100.181 49.839 1.00 0.00 H ATOM 1696 N VAL A 181 21.618 100.991 49.383 1.00 44.29 N ATOM 1697 CA VAL A 181 20.469 100.126 49.595 1.00 36.54 C ATOM 1698 C VAL A 181 19.480 100.425 48.496 1.00 35.56 C ATOM 1699 O VAL A 181 19.165 101.591 48.244 1.00 43.39 O ATOM 1700 CB VAL A 181 19.835 100.366 50.974 1.00 42.04 C ATOM 1701 CG1 VAL A 181 18.720 99.358 51.222 1.00 49.41 C ATOM 1702 CG2 VAL A 181 20.890 100.267 52.031 1.00 41.58 C ATOM 1703 H VAL A 181 21.469 102.020 49.388 1.00 0.00 H ATOM 1704 N ILE A 182 18.998 99.391 47.836 1.00 35.45 N ATOM 1705 CA ILE A 182 18.075 99.541 46.722 1.00 38.62 C ATOM 1706 C ILE A 182 16.802 98.826 47.114 1.00 39.98 C ATOM 1707 O ILE A 182 16.803 97.604 47.294 1.00 46.87 O ATOM 1708 CB ILE A 182 18.657 98.980 45.422 1.00 45.15 C ATOM 1709 CG1 ILE A 182 19.968 99.700 45.116 1.00 46.00 C ATOM 1710 CG2 ILE A 182 17.659 99.115 44.297 1.00 37.90 C ATOM 1711 CD1 ILE A 182 20.820 98.994 44.131 1.00 51.40 C ATOM 1712 H ILE A 182 19.288 98.434 48.122 1.00 0.00 H ATOM 1713 N LEU A 183 15.730 99.580 47.287 1.00 39.96 N ATOM 1714 CA LEU A 183 14.434 99.016 47.635 1.00 35.90 C ATOM 1715 C LEU A 183 13.596 98.862 46.367 1.00 40.25 C ATOM 1716 O LEU A 183 13.333 99.846 45.655 1.00 36.58 O ATOM 1717 CB LEU A 183 13.722 99.901 48.653 1.00 32.05 C ATOM 1718 CG LEU A 183 14.464 100.212 49.948 1.00 38.32 C ATOM 1719 CD1 LEU A 183 13.497 100.814 50.940 1.00 41.81 C ATOM 1720 CD2 LEU A 183 15.053 98.965 50.529 1.00 40.96 C ATOM 1721 H LEU A 183 15.815 100.610 47.171 1.00 0.00 H ATOM 1722 N HIS A 184 13.207 97.623 46.072 1.00 42.64 N ATOM 1723 CA HIS A 184 12.255 97.325 45.005 1.00 41.23 C ATOM 1724 C HIS A 184 10.857 97.379 45.616 1.00 41.75 C ATOM 1725 O HIS A 184 10.412 96.425 46.252 1.00 45.21 O ATOM 1726 CB HIS A 184 12.583 95.970 44.383 1.00 45.31 C ATOM 1727 CG HIS A 184 13.868 95.969 43.603 1.00 52.97 C ATOM 1728 ND1 HIS A 184 13.907 96.112 42.233 1.00 55.69 N ATOM 1729 CD2 HIS A 184 15.159 95.877 44.005 1.00 52.14 C ATOM 1730 CE1 HIS A 184 15.165 96.099 41.825 1.00 53.03 C ATOM 1731 NE2 HIS A 184 15.944 95.954 42.879 1.00 49.53 N ATOM 1732 H HIS A 184 13.598 96.834 46.625 1.00 0.00 H ATOM 1733 N LEU A 185 10.163 98.504 45.423 1.00 45.94 N ATOM 1734 CA LEU A 185 8.920 98.797 46.135 1.00 41.62 C ATOM 1735 C LEU A 185 7.740 97.956 45.660 1.00 43.56 C ATOM 1736 O LEU A 185 7.556 97.739 44.465 1.00 50.83 O ATOM 1737 CB LEU A 185 8.553 100.271 45.980 1.00 35.59 C ATOM 1738 CG LEU A 185 9.496 101.337 46.523 1.00 33.15 C ATOM 1739 CD1 LEU A 185 8.891 102.723 46.376 1.00 35.75 C ATOM 1740 CD2 LEU A 185 9.801 101.048 47.989 1.00 33.67 C ATOM 1741 H LEU A 185 10.521 99.200 44.738 1.00 0.00 H ATOM 1742 N LYS A 186 6.934 97.498 46.617 1.00 43.65 N ATOM 1743 CA LYS A 186 5.604 96.974 46.346 1.00 44.40 C ATOM 1744 C LYS A 186 4.776 97.978 45.561 1.00 49.99 C ATOM 1745 O LYS A 186 4.964 99.191 45.687 1.00 56.24 O ATOM 1746 CB LYS A 186 4.899 96.647 47.665 1.00 40.50 C ATOM 1747 CG LYS A 186 5.740 95.821 48.587 1.00 41.33 C ATOM 1748 CD LYS A 186 4.908 95.269 49.728 1.00 43.50 C ATOM 1749 CE LYS A 186 5.695 95.185 51.027 1.00 41.03 C ATOM 1750 NZ LYS A 186 4.990 94.336 52.016 1.00 43.75 N ATOM 1751 HZ1 LYS A 186 4.054 94.743 52.216 1.00 0.00 H ATOM 1752 HZ2 LYS A 186 4.877 93.377 51.630 1.00 0.00 H ATOM 1753 HZ3 LYS A 186 5.546 94.294 52.894 1.00 0.00 H ATOM 1754 H LYS A 186 7.270 97.516 47.601 1.00 0.00 H ATOM 1755 N GLU A 187 3.823 97.452 44.772 1.00 51.88 N ATOM 1756 CA GLU A 187 3.035 98.265 43.831 1.00 53.90 C ATOM 1757 C GLU A 187 2.169 99.304 44.540 1.00 51.50 C ATOM 1758 O GLU A 187 1.933 100.393 44.005 1.00 55.26 O ATOM 1759 CB GLU A 187 2.164 97.359 42.969 1.00 61.08 C ATOM 1760 CG GLU A 187 2.936 96.562 41.932 1.00 76.83 C ATOM 1761 CD GLU A 187 2.027 95.881 40.945 1.00 99.47 C ATOM 1762 OE1 GLU A 187 0.829 95.618 41.338 1.00107.00 O ATOM 1763 OE2 GLU A 187 2.476 95.640 39.744 1.00109.87 O ATOM 1764 H GLU A 187 3.635 96.431 44.829 1.00 0.00 H ATOM 1765 N ASP A 188 1.698 98.972 45.740 1.00 52.96 N ATOM 1766 CA ASP A 188 0.895 99.847 46.578 1.00 59.28 C ATOM 1767 C ASP A 188 1.751 100.748 47.457 1.00 57.48 C ATOM 1768 O ASP A 188 1.221 101.434 48.330 1.00 60.85 O ATOM 1769 CB ASP A 188 -0.073 99.023 47.442 1.00 66.31 C ATOM 1770 CG ASP A 188 0.636 98.186 48.483 1.00 79.21 C ATOM 1771 OD1 ASP A 188 1.636 97.532 48.131 1.00 86.47 O ATOM 1772 OD2 ASP A 188 0.200 98.183 49.657 1.00 84.36 O ATOM 1773 H ASP A 188 1.919 98.023 46.102 1.00 0.00 H ATOM 1774 N GLN A 189 3.059 100.786 47.239 1.00 53.24 N ATOM 1775 CA GLN A 189 3.910 101.708 47.980 1.00 51.08 C ATOM 1776 C GLN A 189 4.650 102.697 47.076 1.00 51.73 C ATOM 1777 O GLN A 189 5.680 103.231 47.479 1.00 53.15 O ATOM 1778 CB GLN A 189 4.890 100.925 48.853 1.00 46.90 C ATOM 1779 CG GLN A 189 4.190 99.978 49.849 1.00 47.16 C ATOM 1780 CD GLN A 189 3.223 100.695 50.799 1.00 50.25 C ATOM 1781 OE1 GLN A 189 3.437 101.851 51.189 1.00 54.82 O ATOM 1782 NE2 GLN A 189 2.144 100.003 51.165 1.00 47.76 N ATOM 1783 HE22 GLN A 189 2.004 99.034 50.814 1.00 0.00 H ATOM 1784 HE21 GLN A 189 1.443 100.432 51.802 1.00 0.00 H ATOM 1785 H GLN A 189 3.481 100.151 46.532 1.00 0.00 H ATOM 1786 N THR A 190 4.132 102.988 45.878 1.00 50.72 N ATOM 1787 CA THR A 190 4.835 103.865 44.939 1.00 54.41 C ATOM 1788 C THR A 190 4.814 105.338 45.352 1.00 53.76 C ATOM 1789 O THR A 190 5.349 106.187 44.639 1.00 52.09 O ATOM 1790 CB THR A 190 4.267 103.743 43.510 1.00 57.51 C ATOM 1791 OG1 THR A 190 2.852 103.989 43.516 1.00 65.43 O ATOM 1792 CG2 THR A 190 4.544 102.369 42.927 1.00 54.42 C ATOM 1793 HG1 THR A 190 2.500 103.908 42.594 1.00 0.00 H ATOM 1794 H THR A 190 3.213 102.584 45.608 1.00 0.00 H ATOM 1795 N GLU A 191 4.217 105.665 46.489 1.00 52.96 N ATOM 1796 CA GLU A 191 4.243 107.036 46.968 1.00 53.18 C ATOM 1797 C GLU A 191 5.620 107.459 47.453 1.00 59.91 C ATOM 1798 O GLU A 191 5.857 108.662 47.627 1.00 66.94 O ATOM 1799 CB GLU A 191 3.223 107.222 48.096 1.00 55.83 C ATOM 1800 CG GLU A 191 3.599 106.496 49.390 1.00 57.72 C ATOM 1801 CD GLU A 191 2.489 106.430 50.419 1.00 60.83 C ATOM 1802 OE1 GLU A 191 1.618 105.534 50.327 1.00 62.47 O ATOM 1803 OE2 GLU A 191 2.514 107.270 51.339 1.00 66.63 O ATOM 1804 H GLU A 191 3.726 104.934 47.043 1.00 0.00 H ATOM 1805 N TYR A 192 6.535 106.520 47.676 1.00 59.10 N ATOM 1806 CA TYR A 192 7.886 106.866 48.095 1.00 59.58 C ATOM 1807 C TYR A 192 8.800 107.113 46.899 1.00 64.57 C ATOM 1808 O TYR A 192 10.020 107.197 47.052 1.00 67.77 O ATOM 1809 CB TYR A 192 8.422 105.782 49.046 1.00 53.09 C ATOM 1810 CG TYR A 192 7.527 105.749 50.246 1.00 48.43 C ATOM 1811 CD1 TYR A 192 7.459 106.847 51.107 1.00 48.41 C ATOM 1812 CD2 TYR A 192 6.703 104.668 50.485 1.00 47.20 C ATOM 1813 CE1 TYR A 192 6.621 106.849 52.182 1.00 48.99 C ATOM 1814 CE2 TYR A 192 5.868 104.652 51.568 1.00 47.83 C ATOM 1815 CZ TYR A 192 5.825 105.746 52.404 1.00 50.97 C ATOM 1816 OH TYR A 192 4.972 105.741 53.483 1.00 59.25 O ATOM 1817 HH TYR A 192 4.040 105.640 53.165 1.00 0.00 H ATOM 1818 H TYR A 192 6.281 105.520 47.549 1.00 0.00 H ATOM 1819 N LEU A 193 8.216 107.275 45.718 1.00 64.54 N ATOM 1820 CA LEU A 193 8.941 107.722 44.541 1.00 61.36 C ATOM 1821 C LEU A 193 8.600 109.149 44.149 1.00 66.19 C ATOM 1822 O LEU A 193 9.062 109.615 43.097 1.00 69.11 O ATOM 1823 CB LEU A 193 8.646 106.791 43.367 1.00 56.20 C ATOM 1824 CG LEU A 193 8.874 105.334 43.691 1.00 54.27 C ATOM 1825 CD1 LEU A 193 8.357 104.469 42.553 1.00 52.99 C ATOM 1826 CD2 LEU A 193 10.343 105.114 43.927 1.00 53.30 C ATOM 1827 H LEU A 193 7.199 107.074 45.632 1.00 0.00 H ATOM 1828 N GLU A 194 7.785 109.836 44.937 1.00 71.72 N ATOM 1829 CA GLU A 194 7.428 111.221 44.677 1.00 81.59 C ATOM 1830 C GLU A 194 8.239 112.143 45.569 1.00 78.63 C ATOM 1831 O GLU A 194 8.614 111.776 46.685 1.00 74.89 O ATOM 1832 CB GLU A 194 5.929 111.453 44.904 1.00 93.12 C ATOM 1833 CG GLU A 194 5.057 110.661 43.949 1.00103.68 C ATOM 1834 CD GLU A 194 3.581 110.810 44.246 1.00113.15 C ATOM 1835 OE1 GLU A 194 3.229 111.412 45.283 1.00115.77 O ATOM 1836 OE2 GLU A 194 2.769 110.323 43.433 1.00117.23 O ATOM 1837 H GLU A 194 7.385 109.366 45.774 1.00 0.00 H ATOM 1838 N GLU A 195 8.540 113.334 45.038 1.00 78.38 N ATOM 1839 CA GLU A 195 9.371 114.295 45.751 1.00 73.92 C ATOM 1840 C GLU A 195 8.687 114.803 47.005 1.00 71.04 C ATOM 1841 O GLU A 195 9.291 114.787 48.088 1.00 69.97 O ATOM 1842 CB GLU A 195 9.720 115.468 44.837 1.00 75.08 C ATOM 1843 CG GLU A 195 10.775 116.411 45.407 1.00 74.75 C ATOM 1844 CD GLU A 195 10.183 117.501 46.279 1.00 74.71 C ATOM 1845 OE1 GLU A 195 8.978 117.798 46.132 1.00 75.20 O ATOM 1846 OE2 GLU A 195 10.927 118.052 47.115 1.00 74.32 O ATOM 1847 H GLU A 195 8.173 113.579 44.096 1.00 0.00 H ATOM 1848 N ARG A 196 7.447 115.279 46.860 1.00 72.56 N ATOM 1849 CA ARG A 196 6.693 115.787 47.999 1.00 73.64 C ATOM 1850 C ARG A 196 6.812 114.840 49.191 1.00 74.86 C ATOM 1851 O ARG A 196 7.244 115.231 50.284 1.00 76.23 O ATOM 1852 CB ARG A 196 5.227 116.002 47.589 1.00 74.69 C ATOM 1853 CG ARG A 196 4.296 116.506 48.681 1.00 75.24 C ATOM 1854 CD ARG A 196 2.885 116.655 48.165 1.00 76.82 C ATOM 1855 NE ARG A 196 2.285 115.378 47.783 1.00 74.87 N ATOM 1856 CZ ARG A 196 1.582 114.607 48.606 1.00 73.62 C ATOM 1857 NH1 ARG A 196 1.368 114.989 49.859 1.00 73.73 N ATOM 1858 NH2 ARG A 196 1.086 113.457 48.175 1.00 72.48 N ATOM 1859 HE ARG A 196 2.417 115.052 46.804 1.00 0.00 H ATOM 1860 HH12 ARG A 196 0.817 114.383 50.500 1.00 0.00 H ATOM 1861 HH11 ARG A 196 1.751 115.894 50.199 1.00 0.00 H ATOM 1862 HH22 ARG A 196 0.536 112.854 48.819 1.00 0.00 H ATOM 1863 HH21 ARG A 196 1.247 113.157 47.192 1.00 0.00 H ATOM 1864 H ARG A 196 7.011 115.287 45.916 1.00 0.00 H ATOM 1865 N ARG A 197 6.515 113.560 48.964 1.00 72.40 N ATOM 1866 CA ARG A 197 6.317 112.625 50.064 1.00 67.51 C ATOM 1867 C ARG A 197 7.631 112.286 50.764 1.00 67.11 C ATOM 1868 O ARG A 197 7.709 112.281 51.999 1.00 69.55 O ATOM 1869 CB ARG A 197 5.627 111.370 49.542 1.00 61.51 C ATOM 1870 CG ARG A 197 5.451 110.291 50.575 1.00 56.95 C ATOM 1871 CD ARG A 197 4.197 110.476 51.386 1.00 55.07 C ATOM 1872 NE ARG A 197 4.064 109.327 52.265 1.00 58.18 N ATOM 1873 CZ ARG A 197 4.010 109.393 53.589 1.00 58.66 C ATOM 1874 NH1 ARG A 197 4.034 110.576 54.190 1.00 61.21 N ATOM 1875 NH2 ARG A 197 3.908 108.271 54.302 1.00 59.34 N ATOM 1876 HE ARG A 197 4.007 108.386 51.825 1.00 0.00 H ATOM 1877 HH12 ARG A 197 3.992 110.633 55.228 1.00 0.00 H ATOM 1878 HH11 ARG A 197 4.095 111.446 53.623 1.00 0.00 H ATOM 1879 HH22 ARG A 197 3.865 108.317 55.340 1.00 0.00 H ATOM 1880 HH21 ARG A 197 3.871 107.350 53.820 1.00 0.00 H ATOM 1881 H ARG A 197 6.423 113.223 47.984 1.00 0.00 H ATOM 1882 N VAL A 198 8.675 111.994 49.984 1.00 65.25 N ATOM 1883 CA VAL A 198 9.991 111.694 50.557 1.00 64.49 C ATOM 1884 C VAL A 198 10.525 112.894 51.331 1.00 62.24 C ATOM 1885 O VAL A 198 11.146 112.749 52.396 1.00 64.25 O ATOM 1886 CB VAL A 198 10.962 111.250 49.443 1.00 66.15 C ATOM 1887 CG1 VAL A 198 12.373 111.020 49.977 1.00 59.73 C ATOM 1888 CG2 VAL A 198 10.426 109.983 48.757 1.00 67.65 C ATOM 1889 H VAL A 198 8.552 111.979 48.951 1.00 0.00 H ATOM 1890 N LYS A 199 10.276 114.099 50.818 1.00 58.19 N ATOM 1891 CA LYS A 199 10.622 115.298 51.573 1.00 61.32 C ATOM 1892 C LYS A 199 9.852 115.359 52.896 1.00 61.47 C ATOM 1893 O LYS A 199 10.437 115.635 53.951 1.00 64.06 O ATOM 1894 CB LYS A 199 10.365 116.548 50.726 1.00 65.28 C ATOM 1895 CG LYS A 199 10.938 117.825 51.308 1.00 73.95 C ATOM 1896 CD LYS A 199 10.526 119.023 50.453 1.00 85.39 C ATOM 1897 CE LYS A 199 10.737 120.374 51.158 1.00 89.78 C ATOM 1898 NZ LYS A 199 10.272 121.567 50.334 1.00 92.78 N ATOM 1899 HZ1 LYS A 199 10.801 121.596 49.439 1.00 0.00 H ATOM 1900 HZ2 LYS A 199 9.256 121.474 50.135 1.00 0.00 H ATOM 1901 HZ3 LYS A 199 10.443 122.443 50.868 1.00 0.00 H ATOM 1902 H LYS A 199 9.835 114.184 49.880 1.00 0.00 H ATOM 1903 N GLU A 200 8.540 115.083 52.866 1.00 58.17 N ATOM 1904 CA GLU A 200 7.764 115.035 54.106 1.00 58.96 C ATOM 1905 C GLU A 200 8.391 114.080 55.113 1.00 57.55 C ATOM 1906 O GLU A 200 8.526 114.407 56.296 1.00 61.33 O ATOM 1907 CB GLU A 200 6.324 114.588 53.854 1.00 67.33 C ATOM 1908 CG GLU A 200 5.382 115.526 53.129 1.00 80.82 C ATOM 1909 CD GLU A 200 4.039 114.831 52.816 1.00 88.78 C ATOM 1910 OE1 GLU A 200 3.850 113.659 53.237 1.00 82.92 O ATOM 1911 OE2 GLU A 200 3.179 115.454 52.145 1.00 98.26 O ATOM 1912 H GLU A 200 8.071 114.902 51.956 1.00 0.00 H ATOM 1913 N VAL A 201 8.770 112.882 54.659 1.00 53.54 N ATOM 1914 CA VAL A 201 9.207 111.838 55.580 1.00 53.24 C ATOM 1915 C VAL A 201 10.551 112.194 56.206 1.00 57.50 C ATOM 1916 O VAL A 201 10.745 112.035 57.418 1.00 59.80 O ATOM 1917 CB VAL A 201 9.265 110.476 54.868 1.00 52.37 C ATOM 1918 CG1 VAL A 201 9.623 109.393 55.867 1.00 52.35 C ATOM 1919 CG2 VAL A 201 7.938 110.146 54.189 1.00 48.51 C ATOM 1920 H VAL A 201 8.753 112.691 53.637 1.00 0.00 H ATOM 1921 N VAL A 202 11.503 112.681 55.399 1.00 58.95 N ATOM 1922 CA VAL A 202 12.781 113.108 55.970 1.00 56.61 C ATOM 1923 C VAL A 202 12.570 114.245 56.962 1.00 57.32 C ATOM 1924 O VAL A 202 13.080 114.214 58.090 1.00 55.75 O ATOM 1925 CB VAL A 202 13.775 113.517 54.874 1.00 55.58 C ATOM 1926 CG1 VAL A 202 15.057 114.047 55.523 1.00 51.97 C ATOM 1927 CG2 VAL A 202 14.093 112.328 53.973 1.00 58.73 C ATOM 1928 H VAL A 202 11.335 112.755 54.375 1.00 0.00 H ATOM 1929 N LYS A 203 11.815 115.269 56.561 1.00 56.37 N ATOM 1930 CA LYS A 203 11.606 116.390 57.470 1.00 59.89 C ATOM 1931 C LYS A 203 10.908 115.954 58.754 1.00 60.70 C ATOM 1932 O LYS A 203 11.178 116.518 59.826 1.00 65.55 O ATOM 1933 CB LYS A 203 10.809 117.495 56.783 1.00 62.40 C ATOM 1934 CG LYS A 203 10.624 118.703 57.664 1.00 70.33 C ATOM 1935 CD LYS A 203 9.751 119.759 57.019 1.00 76.59 C ATOM 1936 CE LYS A 203 9.676 120.992 57.899 1.00 78.16 C ATOM 1937 NZ LYS A 203 8.772 122.022 57.339 1.00 80.65 N ATOM 1938 HZ1 LYS A 203 9.118 122.313 56.402 1.00 0.00 H ATOM 1939 HZ2 LYS A 203 7.813 121.629 57.249 1.00 0.00 H ATOM 1940 HZ3 LYS A 203 8.752 122.846 57.973 1.00 0.00 H ATOM 1941 H LYS A 203 11.382 115.268 55.615 1.00 0.00 H ATOM 1942 N LYS A 204 10.041 114.938 58.678 1.00 58.15 N ATOM 1943 CA LYS A 204 9.264 114.528 59.847 1.00 65.82 C ATOM 1944 C LYS A 204 10.080 113.665 60.819 1.00 67.56 C ATOM 1945 O LYS A 204 9.890 113.762 62.039 1.00 68.09 O ATOM 1946 CB LYS A 204 7.996 113.782 59.391 1.00 69.81 C ATOM 1947 CG LYS A 204 7.006 113.417 60.503 1.00 74.94 C ATOM 1948 CD LYS A 204 5.897 112.494 59.991 1.00 78.27 C ATOM 1949 CE LYS A 204 5.024 111.966 61.137 1.00 78.88 C ATOM 1950 NZ LYS A 204 4.133 110.833 60.726 1.00 73.49 N ATOM 1951 HZ1 LYS A 204 3.497 111.151 59.967 1.00 0.00 H ATOM 1952 HZ2 LYS A 204 4.715 110.042 60.384 1.00 0.00 H ATOM 1953 HZ3 LYS A 204 3.570 110.522 61.543 1.00 0.00 H ATOM 1954 H LYS A 204 9.918 114.434 57.777 1.00 0.00 H ATOM 1955 N HIS A 205 11.000 112.832 60.306 1.00 63.09 N ATOM 1956 CA HIS A 205 11.664 111.800 61.102 1.00 65.75 C ATOM 1957 C HIS A 205 13.174 111.956 61.242 1.00 70.23 C ATOM 1958 O HIS A 205 13.725 111.561 62.277 1.00 77.47 O ATOM 1959 CB HIS A 205 11.388 110.412 60.509 1.00 69.28 C ATOM 1960 CG HIS A 205 9.975 109.957 60.684 1.00 73.55 C ATOM 1961 ND1 HIS A 205 9.506 109.423 61.866 1.00 74.02 N ATOM 1962 CD2 HIS A 205 8.925 109.969 59.830 1.00 72.29 C ATOM 1963 CE1 HIS A 205 8.227 109.123 61.731 1.00 72.75 C ATOM 1964 NE2 HIS A 205 7.849 109.446 60.506 1.00 71.64 N ATOM 1965 H HIS A 205 11.251 112.925 59.301 1.00 0.00 H ATOM 1966 N SER A 206 13.868 112.491 60.242 1.00 72.80 N ATOM 1967 CA SER A 206 15.319 112.574 60.289 1.00 71.18 C ATOM 1968 C SER A 206 15.810 114.019 60.294 1.00 68.63 C ATOM 1969 O SER A 206 16.875 114.327 59.757 1.00 62.75 O ATOM 1970 CB SER A 206 15.931 111.795 59.130 1.00 73.50 C ATOM 1971 OG SER A 206 15.683 110.403 59.283 1.00 75.94 O ATOM 1972 HG SER A 206 16.086 109.912 58.524 1.00 0.00 H ATOM 1973 H SER A 206 13.363 112.857 59.410 1.00 0.00 H ATOM 1974 N GLN A 207 15.061 114.921 60.934 1.00 72.06 N ATOM 1975 CA GLN A 207 15.386 116.344 60.868 1.00 73.85 C ATOM 1976 C GLN A 207 16.639 116.718 61.653 1.00 73.53 C ATOM 1977 O GLN A 207 17.141 117.839 61.486 1.00 78.16 O ATOM 1978 CB GLN A 207 14.210 117.213 61.360 1.00 75.69 C ATOM 1979 CG GLN A 207 14.329 118.714 60.978 1.00 77.89 C ATOM 1980 CD GLN A 207 13.081 119.529 61.316 1.00 89.10 C ATOM 1981 OE1 GLN A 207 11.983 118.978 61.416 1.00 92.07 O ATOM 1982 NE2 GLN A 207 13.245 120.848 61.493 1.00 94.12 N ATOM 1983 HE22 GLN A 207 14.190 121.272 61.399 1.00 0.00 H ATOM 1984 HE21 GLN A 207 12.427 121.447 61.724 1.00 0.00 H ATOM 1985 H GLN A 207 14.237 114.607 61.486 1.00 0.00 H ATOM 1986 N PHE A 208 17.182 115.834 62.492 1.00 64.92 N ATOM 1987 CA PHE A 208 18.355 116.233 63.261 1.00 63.48 C ATOM 1988 C PHE A 208 19.556 115.320 63.049 1.00 62.50 C ATOM 1989 O PHE A 208 20.492 115.341 63.854 1.00 69.07 O ATOM 1990 CB PHE A 208 17.987 116.363 64.736 1.00 64.57 C ATOM 1991 CG PHE A 208 17.077 117.530 65.001 1.00 67.89 C ATOM 1992 CD1 PHE A 208 17.603 118.793 65.224 1.00 70.13 C ATOM 1993 CD2 PHE A 208 15.697 117.381 64.944 1.00 67.57 C ATOM 1994 CE1 PHE A 208 16.779 119.875 65.438 1.00 73.10 C ATOM 1995 CE2 PHE A 208 14.867 118.461 65.152 1.00 70.49 C ATOM 1996 CZ PHE A 208 15.408 119.717 65.401 1.00 73.27 C ATOM 1997 H PHE A 208 16.778 114.881 62.595 1.00 0.00 H ATOM 1998 N ILE A 209 19.570 114.566 61.946 1.00 57.40 N ATOM 1999 CA ILE A 209 20.764 113.835 61.542 1.00 57.30 C ATOM 2000 C ILE A 209 21.910 114.815 61.290 1.00 64.57 C ATOM 2001 O ILE A 209 21.710 115.928 60.782 1.00 64.56 O ATOM 2002 CB ILE A 209 20.435 112.992 60.297 1.00 56.10 C ATOM 2003 CG1 ILE A 209 19.240 112.053 60.586 1.00 60.04 C ATOM 2004 CG2 ILE A 209 21.640 112.238 59.799 1.00 53.21 C ATOM 2005 CD1 ILE A 209 19.450 111.048 61.727 1.00 58.69 C ATOM 2006 H ILE A 209 18.711 114.499 61.364 1.00 0.00 H ATOM 2007 N GLY A 210 23.123 114.414 61.657 1.00 65.72 N ATOM 2008 CA GLY A 210 24.256 115.312 61.513 1.00 69.79 C ATOM 2009 C GLY A 210 25.011 115.247 60.194 1.00 72.39 C ATOM 2010 O GLY A 210 26.220 115.511 60.146 1.00 78.04 O ATOM 2011 H GLY A 210 23.261 113.460 62.046 1.00 0.00 H ATOM 2012 N TYR A 211 24.313 114.920 59.113 1.00 66.41 N ATOM 2013 CA TYR A 211 24.932 114.781 57.808 1.00 62.42 C ATOM 2014 C TYR A 211 23.969 115.268 56.741 1.00 62.38 C ATOM 2015 O TYR A 211 22.748 115.163 56.914 1.00 61.77 O ATOM 2016 CB TYR A 211 25.314 113.312 57.549 1.00 61.31 C ATOM 2017 CG TYR A 211 26.266 112.778 58.595 1.00 60.20 C ATOM 2018 CD1 TYR A 211 27.624 113.081 58.526 1.00 62.26 C ATOM 2019 CD2 TYR A 211 25.814 111.998 59.659 1.00 56.00 C ATOM 2020 CE1 TYR A 211 28.511 112.622 59.475 1.00 64.73 C ATOM 2021 CE2 TYR A 211 26.702 111.519 60.617 1.00 58.06 C ATOM 2022 CZ TYR A 211 28.050 111.844 60.520 1.00 64.46 C ATOM 2023 OH TYR A 211 28.961 111.394 61.447 1.00 68.58 O ATOM 2024 HH TYR A 211 28.709 111.728 62.344 1.00 0.00 H ATOM 2025 H TYR A 211 23.290 114.758 59.204 1.00 0.00 H ATOM 2026 N PRO A 212 24.473 115.796 55.622 1.00 64.13 N ATOM 2027 CA PRO A 212 23.566 116.264 54.566 1.00 60.16 C ATOM 2028 C PRO A 212 22.793 115.097 53.968 1.00 53.84 C ATOM 2029 O PRO A 212 23.352 114.028 53.729 1.00 49.45 O ATOM 2030 CB PRO A 212 24.509 116.899 53.532 1.00 59.54 C ATOM 2031 CG PRO A 212 25.849 116.922 54.149 1.00 60.83 C ATOM 2032 CD PRO A 212 25.878 115.860 55.184 1.00 62.12 C ATOM 2033 N ILE A 213 21.500 115.305 53.730 1.00 53.87 N ATOM 2034 CA ILE A 213 20.669 114.348 53.004 1.00 48.87 C ATOM 2035 C ILE A 213 20.172 115.022 51.735 1.00 51.12 C ATOM 2036 O ILE A 213 19.479 116.043 51.801 1.00 52.86 O ATOM 2037 CB ILE A 213 19.487 113.843 53.844 1.00 48.53 C ATOM 2038 CG1 ILE A 213 19.976 113.109 55.091 1.00 47.91 C ATOM 2039 CG2 ILE A 213 18.620 112.916 52.994 1.00 48.41 C ATOM 2040 CD1 ILE A 213 18.886 112.871 56.112 1.00 48.22 C ATOM 2041 H ILE A 213 21.064 116.184 54.075 1.00 0.00 H ATOM 2042 N THR A 214 20.489 114.435 50.583 1.00 51.82 N ATOM 2043 CA THR A 214 20.210 115.045 49.290 1.00 55.09 C ATOM 2044 C THR A 214 19.261 114.181 48.469 1.00 52.73 C ATOM 2045 O THR A 214 19.487 112.980 48.304 1.00 53.06 O ATOM 2046 CB THR A 214 21.505 115.277 48.523 1.00 59.72 C ATOM 2047 OG1 THR A 214 22.372 116.101 49.320 1.00 66.72 O ATOM 2048 CG2 THR A 214 21.205 115.960 47.211 1.00 57.49 C ATOM 2049 HG1 THR A 214 23.218 116.258 48.830 1.00 0.00 H ATOM 2050 H THR A 214 20.954 113.505 50.607 1.00 0.00 H ATOM 2051 N LEU A 215 18.205 114.795 47.953 1.00 51.47 N ATOM 2052 CA LEU A 215 17.192 114.109 47.166 1.00 58.30 C ATOM 2053 C LEU A 215 17.509 114.303 45.688 1.00 62.73 C ATOM 2054 O LEU A 215 17.694 115.440 45.244 1.00 76.09 O ATOM 2055 CB LEU A 215 15.807 114.655 47.524 1.00 61.26 C ATOM 2056 CG LEU A 215 14.500 114.218 46.849 1.00 66.40 C ATOM 2057 CD1 LEU A 215 14.163 112.731 47.058 1.00 73.46 C ATOM 2058 CD2 LEU A 215 13.325 115.124 47.271 1.00 70.39 C ATOM 2059 H LEU A 215 18.096 115.816 48.119 1.00 0.00 H ATOM 2060 N TYR A 216 17.629 113.207 44.942 1.00 54.31 N ATOM 2061 CA TYR A 216 17.911 113.262 43.510 1.00 63.75 C ATOM 2062 C TYR A 216 16.658 112.834 42.755 1.00 75.22 C ATOM 2063 O TYR A 216 16.601 111.762 42.157 1.00 77.59 O ATOM 2064 CB TYR A 216 19.115 112.369 43.135 1.00 65.20 C ATOM 2065 CG TYR A 216 20.485 112.892 43.519 1.00 63.98 C ATOM 2066 CD1 TYR A 216 21.002 112.653 44.791 1.00 61.56 C ATOM 2067 CD2 TYR A 216 21.278 113.582 42.599 1.00 66.11 C ATOM 2068 CE1 TYR A 216 22.250 113.104 45.151 1.00 64.27 C ATOM 2069 CE2 TYR A 216 22.547 114.033 42.950 1.00 68.72 C ATOM 2070 CZ TYR A 216 23.017 113.804 44.232 1.00 69.30 C ATOM 2071 OH TYR A 216 24.269 114.258 44.583 1.00 71.73 O ATOM 2072 HH TYR A 216 24.454 114.016 45.525 1.00 0.00 H ATOM 2073 H TYR A 216 17.518 112.278 45.395 1.00 0.00 H ATOM 2074 N LEU A 217 15.648 113.697 42.793 1.00 83.98 N ATOM 2075 CA LEU A 217 14.393 113.511 42.055 1.00 89.18 C ATOM 2076 C LEU A 217 14.567 113.047 40.607 1.00 86.82 C ATOM 2077 O LEU A 217 13.618 112.558 39.991 1.00 85.55 O ATOM 2078 CB LEU A 217 13.560 114.805 42.077 1.00 96.49 C ATOM 2079 CG LEU A 217 12.899 115.537 43.253 1.00102.94 C ATOM 2080 CD1 LEU A 217 12.326 116.832 42.764 1.00104.18 C ATOM 2081 CD2 LEU A 217 11.853 114.689 44.022 1.00104.90 C ATOM 2082 H LEU A 217 15.753 114.551 43.378 1.00 0.00 H TER 2083 LEU A 217 HETATM 2084 O HOH 1 32.682 95.557 58.524 1.00 44.82 O HETATM 2085 O HOH 2 16.730 103.884 42.798 1.00 44.14 O HETATM 2086 O HOH 3 17.412 101.443 62.118 1.00 49.70 O HETATM 2087 O HOH 4 11.883 91.309 74.463 1.00 47.36 O HETATM 2088 O HOH 5 35.766 101.429 55.679 1.00 45.78 O HETATM 2089 O HOH 6 2.897 104.089 52.911 1.00 52.81 O HETATM 2090 O HOH 7 36.969 76.274 13.843 1.00 73.59 O HETATM 2091 O HOH 8 33.673 95.639 51.885 1.00 40.55 O HETATM 2092 O HOH 9 29.113 104.984 48.892 1.00 52.61 O HETATM 2093 O HOH 10 31.191 97.482 59.356 1.00 48.63 O HETATM 2094 O HOH 11 22.468 82.272 59.325 1.00 49.51 O HETATM 2095 O HOH 12 28.476 102.845 55.116 1.00 42.63 O HETATM 2096 O HOH 13 20.190 102.395 42.242 1.00 56.33 O HETATM 2097 O HOH 14 25.971 79.023 48.124 1.00 42.70 O HETATM 2098 O HOH 15 11.066 84.984 55.628 1.00 40.97 O HETATM 2099 O HOH 16 13.304 85.692 54.847 1.00 42.24 O HETATM 2100 O HOH 17 3.357 106.469 57.001 1.00 49.41 O HETATM 2101 O HOH 18 19.220 97.408 61.699 1.00 31.05 O HETATM 2102 O HOH 19 22.327 97.376 65.113 1.00 54.50 O HETATM 2103 O HOH 20 -1.818 95.194 62.035 1.00 44.96 O HETATM 2104 O HOH 21 18.431 99.431 63.968 1.00 49.01 O HETATM 2105 O HOH 22 34.023 77.213 16.682 1.00 66.38 O HETATM 2106 O HOH 23 2.875 100.228 72.645 1.00 72.90 O HETATM 2107 O HOH 24 42.702 93.884 52.754 1.00 65.57 O HETATM 2108 O HOH 25 16.119 76.647 62.681 1.00 69.39 O HETATM 2109 O HOH 26 15.649 104.433 65.057 1.00 60.45 O HETATM 2110 O HOH 27 17.703 85.031 47.361 1.00 45.88 O HETATM 2111 O HOH 28 2.588 90.673 50.971 1.00 63.86 O HETATM 2112 O HOH 29 1.004 101.919 69.325 1.00 80.41 O HETATM 2113 O HOH 30 18.951 78.133 51.109 1.00 70.62 O HETATM 2114 O HOH 31 29.835 96.170 61.596 1.00 64.56 O HETATM 2115 O HOH 32 9.044 106.073 67.871 1.00 67.99 O HETATM 2116 O HOH 33 18.503 77.791 67.408 1.00 70.30 O HETATM 2117 O HOH 34 7.034 85.344 53.354 1.00 55.23 O HETATM 2118 O HOH 35 21.275 92.396 67.275 1.00 56.51 O HETATM 2119 O HOH 36 9.423 85.108 48.200 1.00 64.84 O HETATM 2120 O HOH 37 41.093 96.200 49.600 1.00 62.48 O HETATM 2121 O HOH 38 11.643 92.263 42.391 1.00 70.73 O HETATM 2122 O HOH 39 3.476 87.820 67.146 1.00 58.94 O HETATM 2123 O HOH 40 20.892 90.960 42.703 1.00 86.34 O HETATM 2124 O HOH 41 9.140 97.460 37.428 1.00 65.86 O HETATM 2125 O HOH 42 6.983 86.473 50.471 1.00 65.70 O HETATM 2126 C23 UNN A 43 26.730 100.524 60.925 1.00 -0.03 C HETATM 2127 C18 UNN A 43 28.038 100.332 60.588 1.00 -0.03 C HETATM 2128 C17 UNN A 43 28.136 99.860 59.133 1.00 0.04 C HETATM 2129 N16 UNN A 43 26.802 100.002 58.625 1.00 -0.24 N HETATM 2130 C14 UNN A 43 26.495 99.980 57.237 1.00 0.29 C HETATM 2131 C06 UNN A 43 25.032 100.102 56.793 1.00 0.09 C HETATM 2132 C05 UNN A 43 24.156 98.990 56.916 1.00 -0.05 C HETATM 2133 C04 UNN A 43 22.837 99.129 56.497 1.00 -0.04 C HETATM 2134 C02 UNN A 43 21.901 97.910 56.617 1.00 -0.02 C HETATM 2135 C01 UNN A 43 21.980 97.306 58.067 1.00 -0.06 C HETATM 2136 H7 UNN A 43 21.308 96.438 58.140 1.00 0.03 H HETATM 2137 H8 UNN A 43 21.674 98.068 58.799 1.00 0.03 H HETATM 2138 H9 UNN A 43 23.012 96.989 58.277 1.00 0.03 H HETATM 2139 C03 UNN A 43 22.281 96.845 55.553 1.00 -0.06 C HETATM 2140 H11 UNN A 43 22.218 97.291 54.549 1.00 0.03 H HETATM 2141 H12 UNN A 43 21.586 95.995 55.621 1.00 0.03 H HETATM 2142 H13 UNN A 43 23.308 96.495 55.735 1.00 0.03 H HETATM 2143 H10 UNN A 43 20.868 98.239 56.431 1.00 0.04 H HETATM 2144 C10 UNN A 43 22.386 100.392 55.943 1.00 -0.02 C HETATM 2145 C11 UNN A 43 20.899 100.565 55.448 1.00 0.10 C HETATM 2146 C12 UNN A 43 19.900 100.432 56.586 1.00 0.10 C HETATM 2147 N13 UNN A 43 19.165 100.330 57.443 1.00 -0.30 N HETATM 2148 H3 UNN A 43 20.790 101.561 54.994 1.00 0.07 H HETATM 2149 H4 UNN A 43 20.684 99.793 54.694 1.00 0.07 H HETATM 2150 C09 UNN A 43 23.280 101.493 55.837 1.00 -0.03 C HETATM 2151 C07 UNN A 43 24.590 101.340 56.248 1.00 0.10 C HETATM 2152 O08 UNN A 43 25.572 102.383 56.178 1.00 -0.33 O HETATM 2153 H15 UNN A 43 25.179 103.162 55.802 1.00 0.25 H HETATM 2154 H16 UNN A 43 22.938 102.441 55.438 1.00 0.05 H HETATM 2155 H14 UNN A 43 24.509 98.052 57.328 1.00 0.06 H HETATM 2156 O15 UNN A 43 27.378 99.838 56.430 1.00 -0.33 O HETATM 2157 C24 UNN A 43 25.842 100.171 59.709 1.00 0.04 C HETATM 2158 H18 UNN A 43 24.758 100.072 59.672 1.00 0.04 H HETATM 2159 H1 UNN A 43 29.017 99.499 58.605 1.00 0.04 H HETATM 2160 C19 UNN A 43 29.081 100.566 61.501 1.00 -0.06 C HETATM 2161 C20 UNN A 43 28.728 101.022 62.813 1.00 -0.06 C HETATM 2162 C21 UNN A 43 27.422 101.214 63.165 1.00 -0.06 C HETATM 2163 C22 UNN A 43 26.386 100.981 62.255 1.00 -0.06 C HETATM 2164 H17 UNN A 43 25.352 101.139 62.538 1.00 0.06 H HETATM 2165 H6 UNN A 43 27.185 101.553 64.167 1.00 0.06 H HETATM 2166 H2 UNN A 43 29.510 101.218 63.538 1.00 0.06 H HETATM 2167 H5 UNN A 43 30.116 100.407 61.222 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 2126 2127 2157 2163 CONECT 2127 2126 2128 2160 CONECT 2128 2127 2129 2159 CONECT 2129 2128 2130 2157 CONECT 2130 2129 2131 2156 CONECT 2131 2130 2132 2151 CONECT 2132 2131 2133 2155 CONECT 2133 2132 2134 2144 CONECT 2134 2133 2135 2139 2143 CONECT 2135 2134 2136 2137 2138 CONECT 2136 2135 CONECT 2137 2135 CONECT 2138 2135 CONECT 2139 2134 2140 2141 2142 CONECT 2140 2139 CONECT 2141 2139 CONECT 2142 2139 CONECT 2143 2134 CONECT 2144 2133 2145 2150 CONECT 2145 2144 2146 2148 2149 CONECT 2146 2145 2147 CONECT 2147 2146 CONECT 2148 2145 CONECT 2149 2145 CONECT 2150 2144 2151 2154 CONECT 2151 2131 2150 2152 CONECT 2152 2151 2153 CONECT 2153 2152 CONECT 2154 2150 CONECT 2155 2132 CONECT 2156 2130 CONECT 2157 2126 2129 2158 CONECT 2158 2157 CONECT 2159 2128 CONECT 2160 2127 2161 2167 CONECT 2161 2160 2162 2166 CONECT 2162 2161 2163 2165 CONECT 2163 2126 2162 2164 CONECT 2164 2163 CONECT 2165 2162 CONECT 2166 2161 CONECT 2167 2160 MASTER 0 0 0 0 0 0 0 0 2166 1 46 17 END
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Protein Sequence Similarity
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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
5uch
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Heat shock protein HSP 90-beta
Ligand Name
871
EC.Number
E.C.-.-.-.-
Resolution
2.65(Å)
Affinity (Kd/Ki/IC50)
Kd=0.97uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 425-425
Ligand Properties
Formula
C
2
0
H
1
8
N
2
O
2
Molecular Weight
318.369
Exact Mass
318.137
No. of atoms
42
No. of bonds
44
Polar Surface Area
66.02
LOGP Value
4.43 (
Computed with XLOGP3
)
4.22 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
CC(c1cc(c(cc1CC#N)O)C(=O)n1cc2c(c1)cccc2)C
InChI String
InChI=1S/C20H18N2O2/c1-13(2)17-10-18(19(23)9-14(17)7-8-21)20(24)22-11-15-5-3-4-6-16(15)12-22/h3-6,9-13,23H,7H2,1-2H3
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08238
Entrez Gene ID
NCBI Entrez Gene ID:
3326
ASD
Information of known allosteric effects of PDB entries
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