Browse entries in the PDBbind-CN Database
HEADER 5NAW_COMPLEX COMPND 5NAW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 228 ILE LEU GLY GLY ARG GLU ALA GLU ALA HIS ALA ARG PRO SEQRES 2 A 228 TYR MET ALA SER VAL GLN LEU ASN GLY ALA HIS LEU CYS SEQRES 3 A 228 GLY GLY VAL LEU VAL ALA GLU GLN TRP VAL LEU SER ALA SEQRES 4 A 228 ALA HIS CYS LEU GLU ASP ALA ALA ASP GLY LYS VAL GLN SEQRES 5 A 228 VAL LEU LEU GLY ALA HIS SER LEU SER GLN PRO GLU PRO SEQRES 6 A 228 SER LYS ARG LEU TYR ASP VAL LEU ARG ALA VAL PRO HIS SEQRES 7 A 228 PRO ASP SER GLN PRO ASP THR ILE ASP HIS ASP LEU LEU SEQRES 8 A 228 LEU LEU GLN LEU SER GLU LYS ALA THR LEU GLY PRO ALA SEQRES 9 A 228 VAL ARG PRO LEU PRO TRP GLN ARG VAL ASP ARG ASP VAL SEQRES 10 A 228 ALA PRO GLY THR LEU CYS ASP VAL ALA GLY TRP GLY ILE SEQRES 11 A 228 VAL ASN HIS ALA GLY ARG ARG PRO ASP SER LEU GLN HIS SEQRES 12 A 228 VAL LEU LEU PRO VAL LEU ASP ARG ALA THR CYS ASN ARG SEQRES 13 A 228 ARG THR HIS HIS ASP GLY ALA ILE THR GLU ARG LEU MET SEQRES 14 A 228 CYS ALA GLU SER ASN ARG ARG ASP SER CYS LYS GLY ASP SEQRES 15 A 228 SER GLY GLY PRO LEU VAL CYS GLY GLY VAL LEU GLU GLY SEQRES 16 A 228 VAL VAL THR SER GLY SER ARG VAL CYS GLY ASN ARG LYS SEQRES 17 A 228 LYS PRO GLY ILE TYR THR ARG VAL ALA SER TYR ALA ALA SEQRES 18 A 228 TRP ILE ASP SER VAL LEU ALA HET UNN A 523 55 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 168 CYS A 182 SSBOND 3 CYS A 136 CYS A 201 SSBOND 4 CYS A 191 CYS A 220 ATOM 1 N ILE A 16 5.027 1.633 9.501 1.00 13.55 N ATOM 2 CA ILE A 16 4.303 0.361 9.268 1.00 16.37 C ATOM 3 C ILE A 16 2.952 0.450 9.938 1.00 16.68 C ATOM 4 O ILE A 16 2.862 0.745 11.167 1.00 17.97 O ATOM 5 CB ILE A 16 5.131 -0.726 9.972 1.00 14.49 C ATOM 6 CG1 ILE A 16 6.635 -0.871 9.482 1.00 14.91 C ATOM 7 CG2 ILE A 16 4.422 -2.070 9.857 1.00 16.55 C ATOM 8 CD1 ILE A 16 6.735 -1.438 8.061 1.00 15.16 C ATOM 9 HN3 ILE A 16 5.146 1.780 10.524 1.00 0.00 H ATOM 10 HN2 ILE A 16 4.481 2.420 9.097 1.00 0.00 H ATOM 11 HN1 ILE A 16 5.961 1.588 9.045 1.00 0.00 H ATOM 12 N LEU A 17 1.876 0.221 9.150 1.00 20.40 N ATOM 13 CA LEU A 17 0.507 0.107 9.681 1.00 21.20 C ATOM 14 C LEU A 17 0.306 -1.336 10.028 1.00 22.53 C ATOM 15 O LEU A 17 0.675 -2.286 9.364 1.00 20.32 O ATOM 16 CB LEU A 17 -0.574 0.665 8.694 1.00 23.30 C ATOM 17 CG LEU A 17 -0.440 2.065 8.113 1.00 22.78 C ATOM 18 CD1 LEU A 17 -1.777 2.458 7.460 1.00 26.54 C ATOM 19 CD2 LEU A 17 -0.198 3.006 9.238 1.00 22.53 C ATOM 20 H LEU A 17 2.022 0.121 8.125 1.00 0.00 H ATOM 21 N GLY A 18 -0.496 -1.507 11.062 1.00 21.56 N ATOM 22 CA GLY A 18 -0.887 -2.747 11.552 1.00 24.75 C ATOM 23 C GLY A 18 0.167 -3.721 11.982 1.00 26.14 C ATOM 24 O GLY A 18 -0.034 -4.912 11.915 1.00 27.47 O ATOM 25 H GLY A 18 -0.859 -0.658 11.541 1.00 0.00 H ATOM 26 N GLY A 19 1.327 -3.226 12.389 1.00 22.58 N ATOM 27 CA GLY A 19 2.388 -4.179 12.830 1.00 20.88 C ATOM 28 C GLY A 19 2.651 -4.317 14.280 1.00 22.54 C ATOM 29 O GLY A 19 1.729 -4.110 15.046 1.00 27.43 O ATOM 30 H GLY A 19 1.494 -2.200 12.401 1.00 0.00 H ATOM 31 N ARG A 20 3.824 -4.772 14.696 1.00 23.20 N ATOM 32 CA ARG A 20 4.154 -4.926 16.132 1.00 22.58 C ATOM 33 C ARG A 20 5.575 -4.481 16.302 1.00 19.95 C ATOM 34 O ARG A 20 6.376 -4.418 15.305 1.00 18.75 O ATOM 35 CB ARG A 20 3.986 -6.375 16.583 1.00 32.42 C ATOM 36 CG ARG A 20 2.525 -6.909 16.325 1.00 40.14 C ATOM 37 CD ARG A 20 2.077 -8.282 16.916 1.00 51.96 C ATOM 38 NE ARG A 20 3.071 -8.816 17.839 1.00 61.58 N ATOM 39 CZ ARG A 20 2.859 -9.785 18.727 1.00 61.19 C ATOM 40 NH1 ARG A 20 1.649 -10.371 18.871 1.00 72.21 N ATOM 41 NH2 ARG A 20 3.884 -10.159 19.497 1.00 61.58 N ATOM 42 HE ARG A 20 4.026 -8.406 17.801 1.00 0.00 H ATOM 43 HH12 ARG A 20 1.517 -11.126 19.574 1.00 0.00 H ATOM 44 HH11 ARG A 20 0.850 -10.067 18.278 1.00 0.00 H ATOM 45 HH22 ARG A 20 3.757 -10.913 20.202 1.00 0.00 H ATOM 46 HH21 ARG A 20 4.810 -9.697 19.391 1.00 0.00 H ATOM 47 H ARG A 20 4.540 -5.031 13.988 1.00 0.00 H ATOM 48 N GLU A 21 5.991 -4.199 17.501 1.00 22.24 N ATOM 49 CA GLU A 21 7.347 -3.815 17.846 1.00 18.44 C ATOM 50 C GLU A 21 8.224 -4.996 17.509 1.00 17.99 C ATOM 51 O GLU A 21 7.970 -6.129 17.891 1.00 25.81 O ATOM 52 CB GLU A 21 7.558 -3.363 19.379 1.00 28.16 C ATOM 53 CG GLU A 21 8.971 -2.647 19.692 1.00 24.33 C ATOM 54 CD GLU A 21 9.368 -2.238 21.094 1.00 26.25 C ATOM 55 OE1 GLU A 21 8.357 -1.708 21.691 1.00 20.36 O ATOM 56 OE2 GLU A 21 10.611 -2.456 21.568 1.00 29.92 O ATOM 57 H GLU A 21 5.297 -4.253 18.274 1.00 0.00 H ATOM 58 N ALA A 22 9.327 -4.736 16.707 1.00 17.11 N ATOM 59 CA ALA A 22 10.294 -5.779 16.363 1.00 18.28 C ATOM 60 C ALA A 22 11.136 -6.170 17.584 1.00 16.48 C ATOM 61 O ALA A 22 11.313 -5.372 18.503 1.00 20.11 O ATOM 62 CB ALA A 22 11.194 -5.223 15.248 1.00 16.60 C ATOM 63 H ALA A 22 9.470 -3.773 16.341 1.00 0.00 H ATOM 64 N GLU A 23 11.672 -7.412 17.578 1.00 21.17 N ATOM 65 CA GLU A 23 12.611 -7.820 18.553 1.00 21.36 C ATOM 66 C GLU A 23 13.860 -6.967 18.362 1.00 18.13 C ATOM 67 O GLU A 23 14.450 -6.898 17.264 1.00 16.94 O ATOM 68 CB GLU A 23 12.849 -9.291 18.279 1.00 26.02 C ATOM 69 CG GLU A 23 13.827 -10.037 19.038 1.00 27.54 C ATOM 70 CD GLU A 23 13.934 -11.539 18.612 1.00 40.82 C ATOM 71 OE1 GLU A 23 13.069 -12.084 17.844 1.00 49.06 O ATOM 72 OE2 GLU A 23 14.955 -12.164 18.990 1.00 49.76 O ATOM 73 H GLU A 23 11.386 -8.084 16.837 1.00 0.00 H ATOM 74 N ALA A 24 14.393 -6.402 19.420 1.00 20.23 N ATOM 75 CA ALA A 24 15.515 -5.506 19.318 1.00 18.10 C ATOM 76 C ALA A 24 16.725 -6.187 18.746 1.00 15.82 C ATOM 77 O ALA A 24 17.172 -7.275 19.171 1.00 17.31 O ATOM 78 CB ALA A 24 15.900 -4.874 20.639 1.00 19.67 C ATOM 79 H ALA A 24 13.994 -6.607 20.358 1.00 0.00 H ATOM 80 N HIS A 25 17.289 -5.569 17.671 1.00 14.48 N ATOM 81 CA HIS A 25 18.531 -6.074 17.013 1.00 12.64 C ATOM 82 C HIS A 25 18.449 -7.365 16.279 1.00 14.39 C ATOM 83 O HIS A 25 19.452 -7.896 15.912 1.00 14.65 O ATOM 84 CB HIS A 25 19.742 -6.020 17.992 1.00 14.98 C ATOM 85 CG HIS A 25 19.789 -4.747 18.787 1.00 14.68 C ATOM 86 ND1 HIS A 25 20.051 -3.519 18.208 1.00 14.01 N ATOM 87 CD2 HIS A 25 19.542 -4.506 20.103 1.00 17.11 C ATOM 88 CE1 HIS A 25 19.924 -2.571 19.145 1.00 13.80 C ATOM 89 NE2 HIS A 25 19.603 -3.163 20.303 1.00 16.63 N ATOM 90 H HIS A 25 16.837 -4.712 17.294 1.00 0.00 H ATOM 91 N ALA A 26 17.244 -7.891 16.102 1.00 13.16 N ATOM 92 CA ALA A 26 17.042 -9.139 15.373 1.00 13.07 C ATOM 93 C ALA A 26 17.128 -9.003 13.881 1.00 11.49 C ATOM 94 O ALA A 26 17.175 -10.020 13.180 1.00 13.54 O ATOM 95 CB ALA A 26 15.713 -9.748 15.738 1.00 15.12 C ATOM 96 H ALA A 26 16.417 -7.398 16.495 1.00 0.00 H ATOM 97 N ARG A 27 17.199 -7.764 13.426 1.00 11.55 N ATOM 98 CA ARG A 27 17.372 -7.453 11.962 1.00 10.76 C ATOM 99 C ARG A 27 18.615 -6.545 11.902 1.00 10.28 C ATOM 100 O ARG A 27 18.505 -5.334 11.706 1.00 10.55 O ATOM 101 CB ARG A 27 16.106 -6.801 11.405 1.00 10.53 C ATOM 102 CG ARG A 27 14.928 -7.703 11.388 1.00 11.06 C ATOM 103 CD ARG A 27 13.643 -6.910 11.220 1.00 14.32 C ATOM 104 NE ARG A 27 12.441 -7.749 11.201 1.00 15.83 N ATOM 105 CZ ARG A 27 11.940 -8.337 12.286 1.00 15.79 C ATOM 106 NH1 ARG A 27 12.446 -8.191 13.460 1.00 16.67 N ATOM 107 NH2 ARG A 27 10.912 -9.203 12.122 1.00 19.47 N ATOM 108 HE ARG A 27 11.954 -7.893 10.293 1.00 0.00 H ATOM 109 HH12 ARG A 27 12.016 -8.673 14.275 1.00 0.00 H ATOM 110 HH11 ARG A 27 13.285 -7.591 13.594 1.00 0.00 H ATOM 111 HH22 ARG A 27 10.497 -9.680 12.948 1.00 0.00 H ATOM 112 HH21 ARG A 27 10.538 -9.391 11.170 1.00 0.00 H ATOM 113 H ARG A 27 17.133 -6.976 14.102 1.00 0.00 H ATOM 114 N PRO A 28 19.833 -7.159 11.914 1.00 10.45 N ATOM 115 CA PRO A 28 21.039 -6.377 12.112 1.00 10.66 C ATOM 116 C PRO A 28 21.441 -5.583 10.821 1.00 8.87 C ATOM 117 O PRO A 28 22.338 -4.766 10.883 1.00 9.68 O ATOM 118 CB PRO A 28 22.050 -7.383 12.468 1.00 13.91 C ATOM 119 CG PRO A 28 21.542 -8.680 11.912 1.00 16.46 C ATOM 120 CD PRO A 28 20.061 -8.602 12.148 1.00 13.51 C ATOM 121 N TYR A 29 20.740 -5.872 9.719 1.00 8.50 N ATOM 122 CA TYR A 29 20.874 -5.144 8.466 1.00 8.38 C ATOM 123 C TYR A 29 20.092 -3.853 8.432 1.00 7.40 C ATOM 124 O TYR A 29 20.217 -3.089 7.474 1.00 7.97 O ATOM 125 CB TYR A 29 20.448 -6.082 7.328 1.00 8.93 C ATOM 126 CG TYR A 29 19.055 -6.626 7.566 1.00 8.60 C ATOM 127 CD1 TYR A 29 17.892 -5.933 7.244 1.00 8.79 C ATOM 128 CD2 TYR A 29 18.872 -7.919 8.102 1.00 10.63 C ATOM 129 CE1 TYR A 29 16.636 -6.457 7.440 1.00 10.90 C ATOM 130 CE2 TYR A 29 17.623 -8.447 8.260 1.00 12.35 C ATOM 131 CZ TYR A 29 16.497 -7.699 7.923 1.00 12.54 C ATOM 132 OH TYR A 29 15.198 -8.239 8.097 1.00 14.29 O ATOM 133 HH TYR A 29 14.524 -7.574 7.808 1.00 0.00 H ATOM 134 H TYR A 29 20.062 -6.660 9.760 1.00 0.00 H ATOM 135 N MET A 30 19.181 -3.651 9.387 1.00 7.19 N ATOM 136 CA MET A 30 18.204 -2.546 9.257 1.00 6.74 C ATOM 137 C MET A 30 18.888 -1.203 9.534 1.00 7.39 C ATOM 138 O MET A 30 19.608 -1.056 10.536 1.00 10.68 O ATOM 139 CB MET A 30 17.074 -2.711 10.250 1.00 8.91 C ATOM 140 CG MET A 30 15.956 -1.743 10.123 1.00 10.37 C ATOM 141 SD MET A 30 15.021 -1.991 8.569 1.00 11.66 S ATOM 142 CE MET A 30 14.406 -0.311 8.314 1.00 11.85 C ATOM 143 H MET A 30 19.158 -4.270 10.222 1.00 0.00 H ATOM 144 N ALA A 31 18.645 -0.234 8.656 1.00 6.85 N ATOM 145 CA ALA A 31 19.222 1.086 8.785 1.00 6.83 C ATOM 146 C ALA A 31 18.124 2.159 8.840 1.00 6.41 C ATOM 147 O ALA A 31 17.062 1.998 8.170 1.00 6.96 O ATOM 148 CB ALA A 31 20.089 1.385 7.567 1.00 7.71 C ATOM 149 H ALA A 31 18.019 -0.432 7.849 1.00 0.00 H ATOM 150 N SER A 32 18.403 3.236 9.575 1.00 6.89 N ATOM 151 CA SER A 32 17.600 4.437 9.494 1.00 6.61 C ATOM 152 C SER A 32 18.409 5.485 8.710 1.00 7.04 C ATOM 153 O SER A 32 19.515 5.842 9.150 1.00 7.63 O ATOM 154 CB SER A 32 17.209 4.950 10.857 1.00 7.28 C ATOM 155 OG SER A 32 16.647 6.270 10.792 1.00 7.74 O ATOM 156 HG SER A 32 15.838 6.255 10.222 1.00 0.00 H ATOM 157 H SER A 32 19.217 3.212 10.222 1.00 0.00 H ATOM 158 N VAL A 33 17.866 5.916 7.593 1.00 7.40 N ATOM 159 CA VAL A 33 18.463 6.987 6.808 1.00 7.18 C ATOM 160 C VAL A 33 17.862 8.311 7.278 1.00 7.90 C ATOM 161 O VAL A 33 16.622 8.468 7.307 1.00 9.10 O ATOM 162 CB VAL A 33 18.200 6.782 5.278 1.00 8.31 C ATOM 163 CG1 VAL A 33 18.745 7.961 4.431 1.00 10.27 C ATOM 164 CG2 VAL A 33 18.741 5.468 4.811 1.00 8.64 C ATOM 165 H VAL A 33 16.983 5.479 7.260 1.00 0.00 H ATOM 166 N GLN A 34 18.777 9.208 7.678 1.00 8.68 N ATOM 167 CA GLN A 34 18.373 10.407 8.424 1.00 10.05 C ATOM 168 C GLN A 34 18.856 11.657 7.715 1.00 10.36 C ATOM 169 O GLN A 34 19.867 11.680 7.025 1.00 11.62 O ATOM 170 CB GLN A 34 18.950 10.326 9.850 1.00 10.16 C ATOM 171 CG GLN A 34 18.588 8.996 10.575 1.00 10.45 C ATOM 172 CD GLN A 34 18.655 9.035 12.051 1.00 10.05 C ATOM 173 OE1 GLN A 34 19.392 9.881 12.611 1.00 12.96 O ATOM 174 NE2 GLN A 34 17.969 8.141 12.658 1.00 11.13 N ATOM 175 HE22 GLN A 34 17.382 7.477 12.113 1.00 0.00 H ATOM 176 HE21 GLN A 34 17.998 8.079 13.696 1.00 0.00 H ATOM 177 H GLN A 34 19.781 9.053 7.458 1.00 0.00 H ATOM 178 N LEU A 35 18.056 12.717 7.942 1.00 11.93 N ATOM 179 CA LEU A 35 18.406 14.029 7.421 1.00 13.90 C ATOM 180 C LEU A 35 18.409 14.929 8.636 1.00 14.89 C ATOM 181 O LEU A 35 17.390 15.056 9.361 1.00 16.85 O ATOM 182 CB LEU A 35 17.357 14.498 6.399 1.00 17.69 C ATOM 183 CG LEU A 35 17.529 15.884 5.823 1.00 20.91 C ATOM 184 CD1 LEU A 35 18.835 15.877 5.130 1.00 22.60 C ATOM 185 CD2 LEU A 35 16.474 16.227 4.809 1.00 27.59 C ATOM 186 H LEU A 35 17.182 12.596 8.493 1.00 0.00 H ATOM 187 N ASN A 36 19.505 15.575 8.932 1.00 15.88 N ATOM 188 CA ASN A 36 19.681 16.439 10.079 1.00 17.55 C ATOM 189 C ASN A 36 19.201 15.716 11.364 1.00 18.38 C ATOM 190 O ASN A 36 18.584 16.344 12.227 1.00 24.46 O ATOM 191 CB ASN A 36 18.998 17.790 9.848 1.00 21.70 C ATOM 192 CG ASN A 36 19.545 18.551 8.627 1.00 21.59 C ATOM 193 OD1 ASN A 36 20.769 18.588 8.364 1.00 28.95 O ATOM 194 ND2 ASN A 36 18.601 19.126 7.816 1.00 31.57 N ATOM 195 HD22 ASN A 36 17.594 19.073 8.071 1.00 0.00 H ATOM 196 HD21 ASN A 36 18.892 19.616 6.946 1.00 0.00 H ATOM 197 H ASN A 36 20.316 15.459 8.292 1.00 0.00 H ATOM 198 N GLY A 38 19.586 14.407 11.531 1.00 18.73 N ATOM 199 CA GLY A 38 19.362 13.642 12.740 1.00 19.86 C ATOM 200 C GLY A 38 17.917 13.150 12.900 1.00 19.25 C ATOM 201 O GLY A 38 17.566 12.616 13.951 1.00 19.78 O ATOM 202 H GLY A 38 20.069 13.936 10.739 1.00 0.00 H ATOM 203 N ALA A 39 17.038 13.365 11.926 1.00 15.43 N ATOM 204 CA ALA A 39 15.654 12.896 11.916 1.00 14.49 C ATOM 205 C ALA A 39 15.484 11.764 10.962 1.00 11.97 C ATOM 206 O ALA A 39 15.942 11.816 9.806 1.00 11.65 O ATOM 207 CB ALA A 39 14.701 13.987 11.646 1.00 17.90 C ATOM 208 H ALA A 39 17.362 13.912 11.103 1.00 0.00 H ATOM 209 N HIS A 40 14.748 10.723 11.367 1.00 10.78 N ATOM 210 CA HIS A 40 14.435 9.600 10.466 1.00 10.07 C ATOM 211 C HIS A 40 13.675 10.072 9.263 1.00 10.87 C ATOM 212 O HIS A 40 12.649 10.732 9.378 1.00 12.09 O ATOM 213 CB HIS A 40 13.659 8.566 11.232 1.00 9.47 C ATOM 214 CG HIS A 40 13.198 7.453 10.380 1.00 9.87 C ATOM 215 ND1 HIS A 40 14.011 6.396 10.057 1.00 8.54 N ATOM 216 CD2 HIS A 40 12.038 7.303 9.677 1.00 10.02 C ATOM 217 CE1 HIS A 40 13.379 5.658 9.172 1.00 8.05 C ATOM 218 NE2 HIS A 40 12.175 6.143 8.964 1.00 9.17 N ATOM 219 H HIS A 40 14.388 10.706 12.342 1.00 0.00 H ATOM 220 N LEU A 41 14.158 9.639 8.089 1.00 9.39 N ATOM 221 CA LEU A 41 13.544 9.949 6.862 1.00 10.05 C ATOM 222 C LEU A 41 13.094 8.660 6.091 1.00 9.33 C ATOM 223 O LEU A 41 11.980 8.576 5.534 1.00 11.42 O ATOM 224 CB LEU A 41 14.478 10.732 6.005 1.00 16.00 C ATOM 225 CG LEU A 41 14.145 11.184 4.654 1.00 19.65 C ATOM 226 CD1 LEU A 41 13.142 12.370 4.738 1.00 26.73 C ATOM 227 CD2 LEU A 41 15.518 11.629 3.966 1.00 29.69 C ATOM 228 H LEU A 41 15.017 9.053 8.086 1.00 0.00 H ATOM 229 N CYS A 42 13.966 7.679 6.034 1.00 8.35 N ATOM 230 CA CYS A 42 13.713 6.484 5.224 1.00 8.16 C ATOM 231 C CYS A 42 14.322 5.288 5.940 1.00 6.83 C ATOM 232 O CYS A 42 15.289 5.413 6.699 1.00 7.49 O ATOM 233 CB CYS A 42 14.389 6.560 3.830 1.00 7.96 C ATOM 234 SG CYS A 42 13.399 7.603 2.712 1.00 9.82 S ATOM 235 H CYS A 42 14.852 7.752 6.574 1.00 0.00 H ATOM 236 N GLY A 43 13.794 4.123 5.629 1.00 6.60 N ATOM 237 CA GLY A 43 14.523 2.936 5.929 1.00 6.49 C ATOM 238 C GLY A 43 15.661 2.725 4.938 1.00 6.02 C ATOM 239 O GLY A 43 15.775 3.392 3.912 1.00 6.69 O ATOM 240 H GLY A 43 12.861 4.070 5.172 1.00 0.00 H ATOM 241 N GLY A 44 16.518 1.745 5.260 1.00 6.55 N ATOM 242 CA GLY A 44 17.569 1.288 4.387 1.00 6.01 C ATOM 243 C GLY A 44 18.067 -0.048 4.844 1.00 6.47 C ATOM 244 O GLY A 44 17.638 -0.552 5.929 1.00 6.84 O ATOM 245 H GLY A 44 16.419 1.290 6.190 1.00 0.00 H ATOM 246 N VAL A 45 18.951 -0.657 4.052 1.00 6.83 N ATOM 247 CA VAL A 45 19.420 -1.982 4.320 1.00 7.51 C ATOM 248 C VAL A 45 20.900 -2.000 4.105 1.00 7.03 C ATOM 249 O VAL A 45 21.404 -1.676 2.983 1.00 7.32 O ATOM 250 CB VAL A 45 18.736 -3.056 3.522 1.00 9.87 C ATOM 251 CG1 VAL A 45 18.558 -2.792 2.130 1.00 14.78 C ATOM 252 CG2 VAL A 45 19.152 -4.412 3.784 1.00 9.64 C ATOM 253 H VAL A 45 19.310 -0.154 3.215 1.00 0.00 H ATOM 254 N LEU A 46 21.657 -2.493 5.068 1.00 6.80 N ATOM 255 CA LEU A 46 23.111 -2.702 4.930 1.00 7.19 C ATOM 256 C LEU A 46 23.337 -3.893 4.028 1.00 7.56 C ATOM 257 O LEU A 46 22.881 -5.004 4.305 1.00 8.40 O ATOM 258 CB LEU A 46 23.733 -2.912 6.285 1.00 7.98 C ATOM 259 CG LEU A 46 25.242 -2.958 6.302 1.00 8.09 C ATOM 260 CD1 LEU A 46 25.891 -1.630 6.003 1.00 9.77 C ATOM 261 CD2 LEU A 46 25.760 -3.474 7.664 1.00 10.31 C ATOM 262 H LEU A 46 21.205 -2.747 5.970 1.00 0.00 H ATOM 263 N VAL A 47 23.942 -3.627 2.833 1.00 7.93 N ATOM 264 CA VAL A 47 24.154 -4.680 1.811 1.00 9.24 C ATOM 265 C VAL A 47 25.618 -5.012 1.603 1.00 10.50 C ATOM 266 O VAL A 47 25.938 -5.970 0.945 1.00 12.39 O ATOM 267 CB VAL A 47 23.504 -4.379 0.475 1.00 9.23 C ATOM 268 CG1 VAL A 47 21.989 -4.415 0.624 1.00 9.38 C ATOM 269 CG2 VAL A 47 23.993 -3.075 -0.121 1.00 10.98 C ATOM 270 H VAL A 47 24.263 -2.658 2.634 1.00 0.00 H ATOM 271 N ALA A 48 26.512 -4.214 2.174 1.00 9.97 N ATOM 272 CA ALA A 48 27.950 -4.472 2.099 1.00 10.51 C ATOM 273 C ALA A 48 28.551 -3.782 3.290 1.00 11.17 C ATOM 274 O ALA A 48 27.883 -3.010 3.995 1.00 12.26 O ATOM 275 CB ALA A 48 28.557 -3.984 0.799 1.00 11.73 C ATOM 276 H ALA A 48 26.179 -3.376 2.693 1.00 0.00 H ATOM 277 N GLU A 49 29.824 -3.940 3.526 1.00 13.31 N ATOM 278 CA GLU A 49 30.379 -3.364 4.708 1.00 14.30 C ATOM 279 C GLU A 49 30.302 -1.835 4.785 1.00 13.38 C ATOM 280 O GLU A 49 30.176 -1.250 5.814 1.00 14.33 O ATOM 281 CB GLU A 49 31.834 -3.730 4.838 1.00 19.49 C ATOM 282 CG GLU A 49 32.140 -5.147 5.258 1.00 25.75 C ATOM 283 CD GLU A 49 33.645 -5.172 5.622 1.00 32.19 C ATOM 284 OE1 GLU A 49 34.000 -5.016 6.790 1.00 32.56 O ATOM 285 OE2 GLU A 49 34.453 -5.225 4.679 1.00 49.67 O ATOM 286 H GLU A 49 30.423 -4.475 2.866 1.00 0.00 H ATOM 287 N GLN A 50 30.373 -1.189 3.612 1.00 10.99 N ATOM 288 CA GLN A 50 30.369 0.273 3.555 1.00 9.95 C ATOM 289 C GLN A 50 29.193 0.871 2.801 1.00 9.59 C ATOM 290 O GLN A 50 29.212 2.063 2.484 1.00 9.82 O ATOM 291 CB GLN A 50 31.726 0.761 2.965 1.00 11.58 C ATOM 292 CG GLN A 50 32.092 2.177 3.326 1.00 12.27 C ATOM 293 CD GLN A 50 33.498 2.555 2.936 1.00 14.92 C ATOM 294 OE1 GLN A 50 34.334 1.649 2.603 1.00 21.17 O ATOM 295 NE2 GLN A 50 33.828 3.842 3.035 1.00 14.56 N ATOM 296 HE22 GLN A 50 33.111 4.543 3.310 1.00 0.00 H ATOM 297 HE21 GLN A 50 34.803 4.146 2.837 1.00 0.00 H ATOM 298 H GLN A 50 30.432 -1.736 2.729 1.00 0.00 H ATOM 299 N TRP A 51 28.167 0.067 2.518 1.00 9.82 N ATOM 300 CA TRP A 51 27.082 0.523 1.622 1.00 8.39 C ATOM 301 C TRP A 51 25.712 0.139 2.175 1.00 7.84 C ATOM 302 O TRP A 51 25.469 -1.013 2.499 1.00 8.27 O ATOM 303 CB TRP A 51 27.214 -0.039 0.220 1.00 9.31 C ATOM 304 CG TRP A 51 28.402 0.455 -0.526 1.00 10.88 C ATOM 305 CD1 TRP A 51 29.679 -0.041 -0.484 1.00 12.32 C ATOM 306 CD2 TRP A 51 28.420 1.627 -1.375 1.00 11.09 C ATOM 307 NE1 TRP A 51 30.426 0.735 -1.371 1.00 13.65 N ATOM 308 CE2 TRP A 51 29.716 1.750 -1.927 1.00 12.22 C ATOM 309 CE3 TRP A 51 27.468 2.521 -1.777 1.00 10.39 C ATOM 310 CZ2 TRP A 51 30.038 2.722 -2.865 1.00 12.65 C ATOM 311 CZ3 TRP A 51 27.753 3.512 -2.692 1.00 11.69 C ATOM 312 CH2 TRP A 51 29.058 3.640 -3.240 1.00 13.25 C ATOM 313 HE1 TRP A 51 31.427 0.554 -1.585 1.00 0.00 H ATOM 314 H TRP A 51 28.130 -0.887 2.930 1.00 0.00 H ATOM 315 N VAL A 52 24.821 1.141 2.126 1.00 7.10 N ATOM 316 CA VAL A 52 23.432 0.954 2.492 1.00 6.76 C ATOM 317 C VAL A 52 22.531 1.265 1.263 1.00 6.27 C ATOM 318 O VAL A 52 22.727 2.265 0.595 1.00 7.45 O ATOM 319 CB VAL A 52 23.059 1.912 3.650 1.00 6.96 C ATOM 320 CG1 VAL A 52 21.570 1.972 3.946 1.00 7.17 C ATOM 321 CG2 VAL A 52 23.835 1.464 4.894 1.00 9.60 C ATOM 322 H VAL A 52 25.138 2.082 1.815 1.00 0.00 H ATOM 323 N LEU A 53 21.609 0.340 1.012 1.00 5.98 N ATOM 324 CA LEU A 53 20.634 0.501 -0.057 1.00 6.07 C ATOM 325 C LEU A 53 19.352 1.083 0.479 1.00 6.27 C ATOM 326 O LEU A 53 18.880 0.679 1.555 1.00 7.21 O ATOM 327 CB LEU A 53 20.373 -0.867 -0.673 1.00 7.26 C ATOM 328 CG LEU A 53 19.436 -0.936 -1.883 1.00 7.71 C ATOM 329 CD1 LEU A 53 20.052 -0.250 -3.115 1.00 9.04 C ATOM 330 CD2 LEU A 53 19.181 -2.418 -2.256 1.00 8.30 C ATOM 331 H LEU A 53 21.584 -0.521 1.595 1.00 0.00 H ATOM 332 N SER A 54 18.759 1.991 -0.243 1.00 6.08 N ATOM 333 CA SER A 54 17.520 2.681 0.123 1.00 6.62 C ATOM 334 C SER A 54 16.767 3.047 -1.142 1.00 6.59 C ATOM 335 O SER A 54 17.047 2.461 -2.214 1.00 7.53 O ATOM 336 CB SER A 54 17.870 3.848 1.043 1.00 6.72 C ATOM 337 OG SER A 54 16.729 4.503 1.563 1.00 7.34 O ATOM 338 HG SER A 54 16.189 3.858 2.086 1.00 0.00 H ATOM 339 H SER A 54 19.200 2.246 -1.150 1.00 0.00 H ATOM 340 N ALA A 55 15.889 4.028 -1.088 1.00 6.97 N ATOM 341 CA ALA A 55 15.037 4.440 -2.200 1.00 6.89 C ATOM 342 C ALA A 55 15.486 5.769 -2.761 1.00 8.05 C ATOM 343 O ALA A 55 15.905 6.648 -2.045 1.00 9.50 O ATOM 344 CB ALA A 55 13.553 4.476 -1.817 1.00 8.45 C ATOM 345 H ALA A 55 15.796 4.545 -0.190 1.00 0.00 H ATOM 346 N ALA A 56 15.433 5.883 -4.095 1.00 9.99 N ATOM 347 CA ALA A 56 15.953 7.019 -4.808 1.00 12.30 C ATOM 348 C ALA A 56 15.484 8.348 -4.299 1.00 13.25 C ATOM 349 O ALA A 56 16.229 9.328 -4.178 1.00 20.64 O ATOM 350 CB ALA A 56 15.703 6.918 -6.315 1.00 13.27 C ATOM 351 H ALA A 56 14.995 5.114 -4.641 1.00 0.00 H ATOM 352 N HIS A 57 14.242 8.460 -4.056 1.00 10.73 N ATOM 353 CA HIS A 57 13.679 9.781 -3.785 1.00 12.86 C ATOM 354 C HIS A 57 13.780 10.158 -2.303 1.00 13.01 C ATOM 355 O HIS A 57 13.299 11.242 -1.949 1.00 14.44 O ATOM 356 CB HIS A 57 12.323 9.943 -4.419 1.00 17.75 C ATOM 357 CG HIS A 57 12.391 9.652 -5.913 1.00 15.75 C ATOM 358 ND1 HIS A 57 13.241 10.344 -6.819 1.00 22.43 N ATOM 359 CD2 HIS A 57 11.958 8.555 -6.578 1.00 16.38 C ATOM 360 CE1 HIS A 57 13.143 9.716 -8.001 1.00 23.18 C ATOM 361 NE2 HIS A 57 12.334 8.668 -7.890 1.00 19.72 N ATOM 362 H HIS A 57 13.631 7.618 -4.050 1.00 0.00 H ATOM 363 N CYS A 58 14.360 9.310 -1.484 1.00 12.52 N ATOM 364 CA CYS A 58 14.591 9.649 -0.074 1.00 10.86 C ATOM 365 C CYS A 58 15.290 10.975 0.062 1.00 13.88 C ATOM 366 O CYS A 58 14.976 11.703 0.986 1.00 18.00 O ATOM 367 CB CYS A 58 15.352 8.561 0.576 1.00 10.06 C ATOM 368 SG CYS A 58 14.322 7.119 0.901 1.00 10.75 S ATOM 369 H CYS A 58 14.661 8.381 -1.841 1.00 0.00 H ATOM 370 N LEU A 59 16.233 11.271 -0.857 1.00 17.51 N ATOM 371 CA LEU A 59 16.989 12.547 -0.701 1.00 21.51 C ATOM 372 C LEU A 59 16.532 13.716 -1.564 1.00 22.22 C ATOM 373 O LEU A 59 17.240 14.659 -1.819 1.00 25.99 O ATOM 374 CB LEU A 59 18.521 12.383 -0.725 1.00 22.48 C ATOM 375 CG LEU A 59 19.006 11.332 0.254 1.00 21.50 C ATOM 376 CD1 LEU A 59 20.435 11.091 -0.127 1.00 25.14 C ATOM 377 CD2 LEU A 59 18.776 11.493 1.799 1.00 22.61 C ATOM 378 H LEU A 59 16.427 10.628 -1.651 1.00 0.00 H ATOM 379 N GLU A 60 15.351 13.578 -2.106 1.00 19.51 N ATOM 380 CA GLU A 60 14.745 14.626 -2.919 1.00 27.04 C ATOM 381 C GLU A 60 14.795 16.021 -2.308 1.00 27.95 C ATOM 382 O GLU A 60 15.293 17.026 -2.886 1.00 40.30 O ATOM 383 CB GLU A 60 13.318 14.268 -3.268 1.00 28.96 C ATOM 384 CG GLU A 60 13.054 14.237 -4.747 1.00 46.93 C ATOM 385 CD GLU A 60 11.610 14.319 -5.085 1.00 46.05 C ATOM 386 OE1 GLU A 60 11.197 15.337 -5.778 1.00 48.32 O ATOM 387 OE2 GLU A 60 10.896 13.350 -4.814 1.00 64.75 O ATOM 388 H GLU A 60 14.827 12.693 -1.953 1.00 0.00 H ATOM 389 N ASP A 61 14.508 16.090 -1.063 1.00 30.66 N ATOM 390 CA ASP A 61 14.482 17.402 -0.420 1.00 50.11 C ATOM 391 C ASP A 61 15.688 17.649 0.517 1.00 48.08 C ATOM 392 O ASP A 61 15.497 18.305 1.531 1.00 55.83 O ATOM 393 CB ASP A 61 13.139 17.486 0.358 1.00 50.19 C ATOM 394 CG ASP A 61 11.911 16.957 -0.480 1.00 68.13 C ATOM 395 OD1 ASP A 61 11.964 16.928 -1.766 1.00 82.25 O ATOM 396 OD2 ASP A 61 10.871 16.594 0.164 1.00 98.75 O ATOM 397 H ASP A 61 14.297 15.229 -0.519 1.00 0.00 H ATOM 398 N ALA A 61A 16.840 17.042 0.251 1.00 35.49 N ATOM 399 CA ALA A 61A 17.918 17.013 1.177 1.00 36.31 C ATOM 400 C ALA A 61A 19.036 18.044 0.981 1.00 42.24 C ATOM 401 O ALA A 61A 19.671 18.380 1.956 1.00 57.85 O ATOM 402 CB ALA A 61A 18.485 15.633 1.183 1.00 41.39 C ATOM 403 H ALA A 61A 16.957 16.571 -0.669 1.00 0.00 H ATOM 404 N ALA A 61B 19.306 18.543 -0.217 1.00 35.04 N ATOM 405 CA ALA A 61B 20.709 19.069 -0.517 1.00 41.39 C ATOM 406 C ALA A 61B 21.289 20.092 0.503 1.00 29.95 C ATOM 407 O ALA A 61B 22.519 20.236 0.799 1.00 44.34 O ATOM 408 CB ALA A 61B 20.737 19.699 -1.897 1.00 45.17 C ATOM 409 H ALA A 61B 18.567 18.576 -0.948 1.00 0.00 H ATOM 410 N ASP A 61C 20.355 20.732 1.182 1.00 43.73 N ATOM 411 CA ASP A 61C 20.702 21.642 2.265 1.00 41.07 C ATOM 412 C ASP A 61C 20.891 21.058 3.609 1.00 37.12 C ATOM 413 O ASP A 61C 20.857 21.857 4.569 1.00 48.62 O ATOM 414 CB ASP A 61C 19.649 22.746 2.328 1.00 49.02 C ATOM 415 CG ASP A 61C 19.768 23.619 1.188 1.00 53.58 C ATOM 416 OD1 ASP A 61C 20.973 23.940 1.036 1.00 51.88 O ATOM 417 OD2 ASP A 61C 18.738 23.930 0.466 1.00 53.55 O ATOM 418 H ASP A 61C 19.355 20.584 0.939 1.00 0.00 H ATOM 419 N GLY A 62 21.190 19.744 3.698 1.00 33.61 N ATOM 420 CA GLY A 62 21.229 19.081 5.005 1.00 27.02 C ATOM 421 C GLY A 62 22.095 17.864 5.067 1.00 25.61 C ATOM 422 O GLY A 62 22.648 17.421 4.084 1.00 34.87 O ATOM 423 H GLY A 62 21.394 19.200 2.835 1.00 0.00 H ATOM 424 N LYS A 63 22.333 17.432 6.267 1.00 23.07 N ATOM 425 CA LYS A 63 23.267 16.375 6.555 1.00 21.00 C ATOM 426 C LYS A 63 22.570 14.990 6.524 1.00 18.20 C ATOM 427 O LYS A 63 21.665 14.689 7.283 1.00 14.65 O ATOM 428 CB LYS A 63 23.847 16.618 7.944 1.00 23.87 C ATOM 429 CG LYS A 63 25.106 15.703 8.215 1.00 35.14 C ATOM 430 CD LYS A 63 25.686 15.849 9.657 1.00 41.45 C ATOM 431 CE LYS A 63 27.070 15.125 9.901 1.00 30.65 C ATOM 432 NZ LYS A 63 27.267 14.277 8.618 1.00 29.58 N ATOM 433 HZ1 LYS A 63 26.479 13.604 8.524 1.00 0.00 H ATOM 434 HZ2 LYS A 63 27.289 14.905 7.789 1.00 0.00 H ATOM 435 HZ3 LYS A 63 28.164 13.755 8.683 1.00 0.00 H ATOM 436 H LYS A 63 21.824 17.871 7.060 1.00 0.00 H ATOM 437 N VAL A 64 23.024 14.143 5.632 1.00 19.78 N ATOM 438 CA VAL A 64 22.524 12.794 5.423 1.00 14.61 C ATOM 439 C VAL A 64 23.401 11.849 6.231 1.00 12.45 C ATOM 440 O VAL A 64 24.624 11.835 6.051 1.00 14.15 O ATOM 441 CB VAL A 64 22.502 12.329 3.992 1.00 18.98 C ATOM 442 CG1 VAL A 64 21.975 10.921 3.869 1.00 21.14 C ATOM 443 CG2 VAL A 64 21.715 13.370 3.191 1.00 23.99 C ATOM 444 H VAL A 64 23.805 14.462 5.025 1.00 0.00 H ATOM 445 N GLN A 65 22.778 11.058 7.131 1.00 11.77 N ATOM 446 CA GLN A 65 23.465 10.112 7.922 1.00 10.57 C ATOM 447 C GLN A 65 22.736 8.789 7.934 1.00 8.46 C ATOM 448 O GLN A 65 21.550 8.733 7.556 1.00 10.63 O ATOM 449 CB GLN A 65 23.700 10.538 9.377 1.00 11.43 C ATOM 450 CG GLN A 65 24.683 11.766 9.406 1.00 13.71 C ATOM 451 CD GLN A 65 24.591 12.446 10.709 1.00 15.09 C ATOM 452 OE1 GLN A 65 23.496 12.938 11.147 1.00 17.06 O ATOM 453 NE2 GLN A 65 25.742 12.460 11.380 1.00 19.77 N ATOM 454 HE22 GLN A 65 26.595 12.039 10.959 1.00 0.00 H ATOM 455 HE21 GLN A 65 25.788 12.892 12.325 1.00 0.00 H ATOM 456 H GLN A 65 21.748 11.150 7.246 1.00 0.00 H ATOM 457 N VAL A 66 23.422 7.722 8.360 1.00 7.61 N ATOM 458 CA VAL A 66 22.784 6.387 8.456 1.00 8.09 C ATOM 459 C VAL A 66 22.984 5.869 9.826 1.00 7.50 C ATOM 460 O VAL A 66 24.138 5.714 10.280 1.00 9.02 O ATOM 461 CB VAL A 66 23.315 5.411 7.395 1.00 8.44 C ATOM 462 CG1 VAL A 66 22.598 4.130 7.561 1.00 10.45 C ATOM 463 CG2 VAL A 66 23.097 5.928 6.000 1.00 9.98 C ATOM 464 H VAL A 66 24.421 7.831 8.629 1.00 0.00 H ATOM 465 N LEU A 67 21.926 5.531 10.542 1.00 7.48 N ATOM 466 CA LEU A 67 21.999 4.952 11.854 1.00 7.42 C ATOM 467 C LEU A 67 21.908 3.418 11.730 1.00 7.82 C ATOM 468 O LEU A 67 20.902 2.914 11.218 1.00 7.91 O ATOM 469 CB LEU A 67 20.822 5.456 12.683 1.00 8.29 C ATOM 470 CG LEU A 67 20.762 4.952 14.134 1.00 8.71 C ATOM 471 CD1 LEU A 67 21.877 5.452 14.964 1.00 13.36 C ATOM 472 CD2 LEU A 67 19.437 5.336 14.743 1.00 10.79 C ATOM 473 H LEU A 67 20.985 5.694 10.131 1.00 0.00 H ATOM 474 N LEU A 68 22.967 2.747 12.185 1.00 7.32 N ATOM 475 CA LEU A 68 23.033 1.298 12.211 1.00 7.55 C ATOM 476 C LEU A 68 22.986 0.804 13.650 1.00 8.43 C ATOM 477 O LEU A 68 23.335 1.522 14.579 1.00 9.82 O ATOM 478 CB LEU A 68 24.320 0.796 11.528 1.00 8.63 C ATOM 479 CG LEU A 68 24.421 1.094 10.061 1.00 10.04 C ATOM 480 CD1 LEU A 68 25.698 0.621 9.488 1.00 9.82 C ATOM 481 CD2 LEU A 68 23.282 0.540 9.256 1.00 10.82 C ATOM 482 H LEU A 68 23.783 3.287 12.537 1.00 0.00 H ATOM 483 N GLY A 69 22.615 -0.476 13.770 1.00 8.63 N ATOM 484 CA GLY A 69 22.651 -1.100 15.081 1.00 9.20 C ATOM 485 C GLY A 69 21.563 -0.664 16.032 1.00 9.73 C ATOM 486 O GLY A 69 21.631 -0.911 17.249 1.00 11.23 O ATOM 487 H GLY A 69 22.305 -1.016 12.937 1.00 0.00 H ATOM 488 N ALA A 70 20.503 -0.028 15.523 1.00 9.68 N ATOM 489 CA ALA A 70 19.501 0.584 16.367 1.00 9.45 C ATOM 490 C ALA A 70 18.255 -0.236 16.497 1.00 8.91 C ATOM 491 O ALA A 70 17.790 -0.946 15.609 1.00 9.98 O ATOM 492 CB ALA A 70 19.117 1.906 15.810 1.00 9.91 C ATOM 493 H ALA A 70 20.396 0.028 14.490 1.00 0.00 H ATOM 494 N HIS A 71 17.623 0.008 17.665 1.00 10.28 N ATOM 495 CA HIS A 71 16.234 -0.367 17.881 1.00 10.71 C ATOM 496 C HIS A 71 15.408 0.885 18.149 1.00 10.11 C ATOM 497 O HIS A 71 14.499 1.239 17.397 1.00 11.11 O ATOM 498 CB HIS A 71 16.088 -1.391 19.012 1.00 11.64 C ATOM 499 CG HIS A 71 14.705 -1.904 19.033 1.00 13.60 C ATOM 500 ND1 HIS A 71 14.111 -2.556 17.978 1.00 14.02 N ATOM 501 CD2 HIS A 71 13.747 -1.840 20.021 1.00 14.47 C ATOM 502 CE1 HIS A 71 12.852 -2.812 18.324 1.00 16.99 C ATOM 503 NE2 HIS A 71 12.608 -2.393 19.557 1.00 17.27 N ATOM 504 H HIS A 71 18.144 0.478 18.433 1.00 0.00 H ATOM 505 N SER A 72 15.765 1.615 19.195 1.00 10.79 N ATOM 506 CA SER A 72 15.209 2.913 19.472 1.00 10.25 C ATOM 507 C SER A 72 15.940 3.977 18.694 1.00 10.29 C ATOM 508 O SER A 72 17.180 4.051 18.678 1.00 11.62 O ATOM 509 CB SER A 72 15.354 3.229 20.977 1.00 11.42 C ATOM 510 OG SER A 72 15.063 4.546 21.302 1.00 11.68 O ATOM 511 HG SER A 72 14.128 4.749 21.047 1.00 0.00 H ATOM 512 H SER A 72 16.480 1.232 19.846 1.00 0.00 H ATOM 513 N LEU A 73 15.181 4.931 18.152 1.00 9.73 N ATOM 514 CA LEU A 73 15.777 6.093 17.504 1.00 10.79 C ATOM 515 C LEU A 73 16.424 7.004 18.498 1.00 10.94 C ATOM 516 O LEU A 73 17.338 7.771 18.162 1.00 13.76 O ATOM 517 CB LEU A 73 14.769 6.857 16.674 1.00 10.46 C ATOM 518 CG LEU A 73 14.194 6.099 15.487 1.00 9.69 C ATOM 519 CD1 LEU A 73 13.070 6.880 14.839 1.00 11.91 C ATOM 520 CD2 LEU A 73 15.279 5.785 14.446 1.00 12.20 C ATOM 521 H LEU A 73 14.145 4.844 18.192 1.00 0.00 H ATOM 522 N SER A 74 15.938 7.053 19.755 1.00 13.23 N ATOM 523 CA SER A 74 16.380 8.138 20.716 1.00 14.12 C ATOM 524 C SER A 74 17.256 7.642 21.842 1.00 12.63 C ATOM 525 O SER A 74 17.966 8.441 22.431 1.00 15.34 O ATOM 526 CB SER A 74 15.127 8.763 21.302 1.00 14.92 C ATOM 527 OG SER A 74 14.357 7.847 22.048 1.00 13.65 O ATOM 528 HG SER A 74 14.077 7.099 21.463 1.00 0.00 H ATOM 529 H SER A 74 15.252 6.337 20.069 1.00 0.00 H ATOM 530 N GLN A 75 17.142 6.371 22.225 1.00 12.56 N ATOM 531 CA GLN A 75 17.833 5.887 23.428 1.00 13.32 C ATOM 532 C GLN A 75 19.226 5.345 23.148 1.00 14.77 C ATOM 533 O GLN A 75 19.466 4.724 22.062 1.00 13.89 O ATOM 534 CB GLN A 75 16.993 4.766 24.130 1.00 12.60 C ATOM 535 CG GLN A 75 15.651 5.258 24.646 1.00 12.93 C ATOM 536 CD GLN A 75 14.838 4.325 25.512 1.00 12.79 C ATOM 537 OE1 GLN A 75 13.891 4.738 26.234 1.00 14.93 O ATOM 538 NE2 GLN A 75 15.132 2.997 25.339 1.00 14.39 N ATOM 539 HE22 GLN A 75 15.927 2.715 24.730 1.00 0.00 H ATOM 540 HE21 GLN A 75 14.560 2.271 25.817 1.00 0.00 H ATOM 541 H GLN A 75 16.558 5.715 21.667 1.00 0.00 H ATOM 542 N PRO A 76 20.143 5.418 24.109 1.00 16.83 N ATOM 543 CA PRO A 76 21.443 4.839 23.869 1.00 20.47 C ATOM 544 C PRO A 76 21.460 3.344 23.889 1.00 17.07 C ATOM 545 O PRO A 76 20.710 2.728 24.713 1.00 17.43 O ATOM 546 CB PRO A 76 22.289 5.467 24.997 1.00 24.93 C ATOM 547 CG PRO A 76 21.289 5.693 26.087 1.00 27.91 C ATOM 548 CD PRO A 76 20.029 6.081 25.436 1.00 20.88 C ATOM 549 N GLU A 77 22.133 2.700 22.963 1.00 14.80 N ATOM 550 CA GLU A 77 22.248 1.262 22.854 1.00 14.44 C ATOM 551 C GLU A 77 23.693 0.983 22.482 1.00 13.84 C ATOM 552 O GLU A 77 24.244 1.717 21.625 1.00 15.08 O ATOM 553 CB GLU A 77 21.283 0.670 21.810 1.00 14.08 C ATOM 554 CG GLU A 77 19.830 1.113 22.022 1.00 12.76 C ATOM 555 CD GLU A 77 18.904 0.778 20.886 1.00 13.05 C ATOM 556 OE1 GLU A 77 19.325 0.629 19.754 1.00 14.23 O ATOM 557 OE2 GLU A 77 17.643 0.776 21.090 1.00 12.72 O ATOM 558 H GLU A 77 22.625 3.272 22.247 1.00 0.00 H ATOM 559 N PRO A 78 24.276 -0.113 22.977 1.00 17.29 N ATOM 560 CA PRO A 78 25.693 -0.219 22.679 1.00 17.60 C ATOM 561 C PRO A 78 26.073 -0.366 21.258 1.00 16.84 C ATOM 562 O PRO A 78 27.159 0.083 20.889 1.00 17.44 O ATOM 563 CB PRO A 78 26.108 -1.542 23.410 1.00 23.18 C ATOM 564 CG PRO A 78 24.979 -1.889 24.262 1.00 27.89 C ATOM 565 CD PRO A 78 23.836 -0.989 24.062 1.00 18.46 C ATOM 566 N SER A 79 25.198 -0.986 20.477 1.00 15.34 N ATOM 567 CA SER A 79 25.488 -1.242 19.041 1.00 15.17 C ATOM 568 C SER A 79 25.087 -0.048 18.158 1.00 14.10 C ATOM 569 O SER A 79 25.375 -0.127 16.983 1.00 13.90 O ATOM 570 CB SER A 79 24.685 -2.463 18.633 1.00 16.46 C ATOM 571 OG SER A 79 23.310 -2.342 18.820 1.00 16.61 O ATOM 572 HG SER A 79 22.971 -1.582 18.283 1.00 0.00 H ATOM 573 H SER A 79 24.291 -1.299 20.877 1.00 0.00 H ATOM 574 N LYS A 80 24.419 0.960 18.682 1.00 12.98 N ATOM 575 CA LYS A 80 23.959 2.068 17.834 1.00 12.69 C ATOM 576 C LYS A 80 25.120 2.927 17.400 1.00 13.64 C ATOM 577 O LYS A 80 25.939 3.404 18.245 1.00 18.74 O ATOM 578 CB LYS A 80 23.018 3.029 18.555 1.00 19.52 C ATOM 579 CG LYS A 80 21.724 2.764 18.369 1.00 20.20 C ATOM 580 CD LYS A 80 20.710 3.649 19.120 1.00 16.81 C ATOM 581 CE LYS A 80 20.539 5.113 18.785 1.00 15.33 C ATOM 582 NZ LYS A 80 19.337 5.696 19.456 1.00 13.65 N ATOM 583 HZ1 LYS A 80 18.486 5.186 19.144 1.00 0.00 H ATOM 584 HZ2 LYS A 80 19.439 5.605 20.487 1.00 0.00 H ATOM 585 HZ3 LYS A 80 19.253 6.701 19.202 1.00 0.00 H ATOM 586 H LYS A 80 24.216 0.971 19.702 1.00 0.00 H ATOM 587 N ARG A 81 25.193 3.213 16.124 1.00 12.43 N ATOM 588 CA ARG A 81 26.224 4.186 15.612 1.00 14.91 C ATOM 589 C ARG A 81 25.623 4.870 14.442 1.00 12.63 C ATOM 590 O ARG A 81 25.090 4.279 13.542 1.00 11.12 O ATOM 591 CB ARG A 81 27.569 3.475 15.250 1.00 17.38 C ATOM 592 CG ARG A 81 28.570 4.538 14.788 1.00 22.45 C ATOM 593 CD ARG A 81 29.957 4.062 14.709 1.00 28.36 C ATOM 594 NE ARG A 81 30.740 5.021 13.855 1.00 28.20 N ATOM 595 CZ ARG A 81 31.859 4.701 13.254 1.00 34.69 C ATOM 596 NH1 ARG A 81 32.342 3.469 13.355 1.00 31.50 N ATOM 597 NH2 ARG A 81 32.440 5.591 12.460 1.00 47.10 N ATOM 598 HE ARG A 81 30.374 5.987 13.736 1.00 0.00 H ATOM 599 HH12 ARG A 81 33.231 3.218 12.877 1.00 0.00 H ATOM 600 HH11 ARG A 81 31.832 2.755 13.913 1.00 0.00 H ATOM 601 HH22 ARG A 81 33.329 5.353 11.975 1.00 0.00 H ATOM 602 HH21 ARG A 81 32.007 6.526 12.322 1.00 0.00 H ATOM 603 H ARG A 81 24.533 2.764 15.457 1.00 0.00 H ATOM 604 N LEU A 82 25.807 6.190 14.445 1.00 12.68 N ATOM 605 CA LEU A 82 25.411 7.081 13.367 1.00 12.81 C ATOM 606 C LEU A 82 26.519 7.381 12.480 1.00 14.14 C ATOM 607 O LEU A 82 27.507 8.003 12.901 1.00 19.36 O ATOM 608 CB LEU A 82 24.770 8.385 14.009 1.00 14.27 C ATOM 609 CG LEU A 82 24.124 9.378 13.048 1.00 15.09 C ATOM 610 CD1 LEU A 82 22.866 8.799 12.489 1.00 15.96 C ATOM 611 CD2 LEU A 82 23.801 10.593 13.922 1.00 17.25 C ATOM 612 H LEU A 82 26.266 6.612 15.277 1.00 0.00 H ATOM 613 N TYR A 83 26.504 6.901 11.241 1.00 10.84 N ATOM 614 CA TYR A 83 27.553 7.049 10.242 1.00 11.33 C ATOM 615 C TYR A 83 27.276 8.239 9.338 1.00 11.58 C ATOM 616 O TYR A 83 26.152 8.465 8.863 1.00 10.26 O ATOM 617 CB TYR A 83 27.638 5.779 9.376 1.00 11.59 C ATOM 618 CG TYR A 83 28.200 4.622 10.132 1.00 12.07 C ATOM 619 CD1 TYR A 83 27.419 3.779 10.894 1.00 11.63 C ATOM 620 CD2 TYR A 83 29.541 4.303 10.089 1.00 12.55 C ATOM 621 CE1 TYR A 83 27.980 2.717 11.592 1.00 12.92 C ATOM 622 CE2 TYR A 83 30.090 3.240 10.761 1.00 13.22 C ATOM 623 CZ TYR A 83 29.305 2.459 11.528 1.00 12.49 C ATOM 624 OH TYR A 83 29.832 1.402 12.244 1.00 13.98 O ATOM 625 HH TYR A 83 29.107 0.949 12.743 1.00 0.00 H ATOM 626 H TYR A 83 25.659 6.366 10.956 1.00 0.00 H ATOM 627 N ASP A 84 28.335 8.965 9.023 1.00 11.74 N ATOM 628 CA ASP A 84 28.289 9.923 7.987 1.00 11.70 C ATOM 629 C ASP A 84 28.308 9.210 6.617 1.00 11.39 C ATOM 630 O ASP A 84 28.733 8.046 6.491 1.00 11.89 O ATOM 631 CB ASP A 84 29.466 10.907 8.124 1.00 13.38 C ATOM 632 CG ASP A 84 29.415 11.663 9.475 1.00 18.56 C ATOM 633 OD1 ASP A 84 28.414 12.115 9.824 1.00 21.96 O ATOM 634 OD2 ASP A 84 30.489 11.779 10.111 1.00 28.66 O ATOM 635 H ASP A 84 29.221 8.827 9.550 1.00 0.00 H ATOM 636 N VAL A 85 27.944 9.998 5.586 1.00 11.76 N ATOM 637 CA VAL A 85 27.873 9.493 4.203 1.00 11.33 C ATOM 638 C VAL A 85 28.867 10.227 3.353 1.00 11.68 C ATOM 639 O VAL A 85 28.784 11.450 3.191 1.00 13.85 O ATOM 640 CB VAL A 85 26.412 9.617 3.734 1.00 11.68 C ATOM 641 CG1 VAL A 85 26.293 9.337 2.263 1.00 11.99 C ATOM 642 CG2 VAL A 85 25.494 8.677 4.522 1.00 13.68 C ATOM 643 H VAL A 85 27.706 10.993 5.772 1.00 0.00 H ATOM 644 N LEU A 86 29.694 9.434 2.706 1.00 11.99 N ATOM 645 CA LEU A 86 30.734 9.985 1.751 1.00 13.42 C ATOM 646 C LEU A 86 30.100 10.363 0.441 1.00 14.58 C ATOM 647 O LEU A 86 30.434 11.397 -0.107 1.00 17.53 O ATOM 648 CB LEU A 86 31.803 8.891 1.617 1.00 17.62 C ATOM 649 CG LEU A 86 33.060 9.088 0.848 1.00 18.17 C ATOM 650 CD1 LEU A 86 33.818 10.255 1.433 1.00 21.99 C ATOM 651 CD2 LEU A 86 33.866 7.794 0.846 1.00 23.99 C ATOM 652 H LEU A 86 29.633 8.406 2.853 1.00 0.00 H ATOM 653 N ARG A 87 29.171 9.577 -0.046 1.00 14.61 N ATOM 654 CA ARG A 87 28.564 9.715 -1.346 1.00 16.58 C ATOM 655 C ARG A 87 27.217 9.113 -1.369 1.00 12.57 C ATOM 656 O ARG A 87 27.034 8.026 -0.811 1.00 13.09 O ATOM 657 CB ARG A 87 29.406 8.949 -2.515 1.00 23.35 C ATOM 658 H ARG A 87 28.846 8.791 0.553 1.00 0.00 H ATOM 659 N ALA A 88 26.233 9.783 -2.004 1.00 12.27 N ATOM 660 CA ALA A 88 24.899 9.252 -2.309 1.00 11.16 C ATOM 661 C ALA A 88 24.732 9.064 -3.790 1.00 11.09 C ATOM 662 O ALA A 88 25.045 9.951 -4.564 1.00 15.00 O ATOM 663 CB ALA A 88 23.869 10.214 -1.761 1.00 13.46 C ATOM 664 H ALA A 88 26.437 10.758 -2.303 1.00 0.00 H ATOM 665 N VAL A 89 24.281 7.869 -4.138 1.00 9.84 N ATOM 666 CA VAL A 89 24.173 7.463 -5.558 1.00 11.10 C ATOM 667 C VAL A 89 22.774 7.032 -5.881 1.00 9.60 C ATOM 668 O VAL A 89 22.473 5.842 -5.763 1.00 10.52 O ATOM 669 CB VAL A 89 25.219 6.352 -5.903 1.00 10.55 C ATOM 670 CG1 VAL A 89 25.291 6.090 -7.401 1.00 13.14 C ATOM 671 CG2 VAL A 89 26.584 6.673 -5.348 1.00 12.90 C ATOM 672 H VAL A 89 23.995 7.199 -3.396 1.00 0.00 H ATOM 673 N PRO A 90 21.902 7.967 -6.278 1.00 11.05 N ATOM 674 CA PRO A 90 20.583 7.571 -6.744 1.00 10.72 C ATOM 675 C PRO A 90 20.698 6.806 -8.059 1.00 10.37 C ATOM 676 O PRO A 90 21.605 7.118 -8.856 1.00 11.81 O ATOM 677 CB PRO A 90 19.829 8.873 -6.905 1.00 14.05 C ATOM 678 CG PRO A 90 20.880 9.886 -7.157 1.00 14.94 C ATOM 679 CD PRO A 90 22.100 9.404 -6.383 1.00 12.80 C ATOM 680 N HIS A 91 19.776 5.939 -8.399 1.00 10.27 N ATOM 681 CA HIS A 91 19.804 5.289 -9.685 1.00 10.17 C ATOM 682 C HIS A 91 19.734 6.312 -10.798 1.00 10.62 C ATOM 683 O HIS A 91 18.865 7.178 -10.739 1.00 12.25 O ATOM 684 CB HIS A 91 18.736 4.232 -9.793 1.00 10.59 C ATOM 685 CG HIS A 91 18.860 3.379 -10.963 1.00 9.10 C ATOM 686 ND1 HIS A 91 18.720 3.819 -12.253 1.00 11.49 N ATOM 687 CD2 HIS A 91 19.207 2.079 -11.021 1.00 11.38 C ATOM 688 CE1 HIS A 91 18.963 2.796 -13.060 1.00 12.38 C ATOM 689 NE2 HIS A 91 19.307 1.719 -12.368 1.00 12.86 N ATOM 690 H HIS A 91 19.012 5.716 -7.730 1.00 0.00 H ATOM 691 N PRO A 92 20.615 6.261 -11.799 1.00 12.76 N ATOM 692 CA PRO A 92 20.683 7.311 -12.819 1.00 13.59 C ATOM 693 C PRO A 92 19.463 7.394 -13.689 1.00 14.54 C ATOM 694 O PRO A 92 19.287 8.457 -14.343 1.00 19.09 O ATOM 695 CB PRO A 92 21.941 6.936 -13.621 1.00 16.77 C ATOM 696 CG PRO A 92 22.364 5.703 -13.270 1.00 17.98 C ATOM 697 CD PRO A 92 21.731 5.321 -11.943 1.00 13.71 C ATOM 698 N ASP A 93 18.634 6.373 -13.745 1.00 12.46 N ATOM 699 CA ASP A 93 17.393 6.410 -14.494 1.00 14.14 C ATOM 700 C ASP A 93 16.191 6.857 -13.743 1.00 13.86 C ATOM 701 O ASP A 93 15.064 6.934 -14.264 1.00 16.63 O ATOM 702 CB ASP A 93 17.152 5.097 -15.244 1.00 12.87 C ATOM 703 CG ASP A 93 18.194 4.821 -16.306 1.00 15.32 C ATOM 704 OD1 ASP A 93 18.397 5.624 -17.217 1.00 15.84 O ATOM 705 OD2 ASP A 93 18.871 3.779 -16.148 1.00 19.30 O ATOM 706 H ASP A 93 18.879 5.503 -13.230 1.00 0.00 H ATOM 707 N SER A 94 16.320 7.043 -12.408 1.00 13.43 N ATOM 708 CA SER A 94 15.188 7.457 -11.567 1.00 13.63 C ATOM 709 C SER A 94 14.814 8.873 -11.950 1.00 19.13 C ATOM 710 O SER A 94 15.622 9.683 -12.329 1.00 17.03 O ATOM 711 CB SER A 94 15.556 7.309 -10.068 1.00 12.57 C ATOM 712 OG SER A 94 16.626 8.208 -9.662 1.00 15.29 O ATOM 713 HG SER A 94 17.438 8.015 -10.195 1.00 0.00 H ATOM 714 H SER A 94 17.248 6.888 -11.964 1.00 0.00 H ATOM 715 N GLN A 95 13.552 9.210 -11.722 1.00 20.27 N ATOM 716 CA GLN A 95 13.077 10.558 -12.020 1.00 22.25 C ATOM 717 C GLN A 95 12.058 10.874 -10.955 1.00 24.01 C ATOM 718 O GLN A 95 11.238 9.984 -10.645 1.00 20.69 O ATOM 719 CB GLN A 95 12.374 10.568 -13.379 1.00 23.38 C ATOM 720 CG GLN A 95 13.203 10.387 -14.636 1.00 32.46 C ATOM 721 CD GLN A 95 12.367 10.129 -15.936 1.00 39.60 C ATOM 722 OE1 GLN A 95 12.918 9.778 -17.014 1.00 51.59 O ATOM 723 NE2 GLN A 95 11.059 10.221 -15.806 1.00 48.12 N ATOM 724 HE22 GLN A 95 10.646 10.515 -14.898 1.00 0.00 H ATOM 725 HE21 GLN A 95 10.440 10.000 -16.612 1.00 0.00 H ATOM 726 H GLN A 95 12.894 8.508 -11.327 1.00 0.00 H ATOM 727 N PRO A 96 12.029 12.126 -10.465 1.00 32.44 N ATOM 728 CA PRO A 96 10.925 12.442 -9.591 1.00 36.60 C ATOM 729 C PRO A 96 9.520 12.187 -10.215 1.00 32.21 C ATOM 730 O PRO A 96 9.290 12.231 -11.479 1.00 37.93 O ATOM 731 CB PRO A 96 11.176 13.911 -9.310 1.00 39.30 C ATOM 732 CG PRO A 96 12.662 13.994 -9.225 1.00 40.48 C ATOM 733 CD PRO A 96 13.106 13.160 -10.391 1.00 38.41 C ATOM 734 N ASP A 97 8.554 11.877 -9.395 1.00 36.32 N ATOM 735 CA ASP A 97 7.236 11.603 -10.045 1.00 40.01 C ATOM 736 C ASP A 97 7.096 10.326 -10.971 1.00 33.15 C ATOM 737 O ASP A 97 6.050 10.117 -11.562 1.00 41.12 O ATOM 738 CB ASP A 97 6.616 12.882 -10.756 1.00 41.55 C ATOM 739 CG ASP A 97 6.109 13.976 -9.727 1.00 50.77 C ATOM 740 OD1 ASP A 97 5.252 13.705 -8.805 1.00 69.84 O ATOM 741 OD2 ASP A 97 6.684 15.100 -9.857 1.00 60.62 O ATOM 742 H ASP A 97 8.691 11.824 -8.365 1.00 0.00 H ATOM 743 N THR A 98 8.090 9.398 -10.963 1.00 27.89 N ATOM 744 CA THR A 98 7.888 8.005 -11.471 1.00 26.73 C ATOM 745 C THR A 98 8.224 6.993 -10.377 1.00 23.96 C ATOM 746 O THR A 98 8.947 7.325 -9.487 1.00 22.19 O ATOM 747 CB THR A 98 8.714 7.607 -12.674 1.00 27.78 C ATOM 748 OG1 THR A 98 10.068 7.576 -12.268 1.00 28.41 O ATOM 749 CG2 THR A 98 8.591 8.558 -13.738 1.00 36.55 C ATOM 750 HG1 THR A 98 10.636 7.318 -13.037 1.00 0.00 H ATOM 751 H THR A 98 9.023 9.666 -10.591 1.00 0.00 H ATOM 752 N ILE A 99 7.798 5.719 -10.532 1.00 23.92 N ATOM 753 CA ILE A 99 8.108 4.696 -9.514 1.00 23.04 C ATOM 754 C ILE A 99 9.279 3.831 -9.960 1.00 20.89 C ATOM 755 O ILE A 99 9.580 2.830 -9.282 1.00 20.30 O ATOM 756 CB ILE A 99 6.864 3.805 -9.127 1.00 24.68 C ATOM 757 CG1 ILE A 99 6.334 2.989 -10.355 1.00 28.31 C ATOM 758 CG2 ILE A 99 5.740 4.702 -8.580 1.00 33.71 C ATOM 759 CD1 ILE A 99 5.162 1.995 -9.980 1.00 33.68 C ATOM 760 H ILE A 99 7.248 5.458 -11.375 1.00 0.00 H ATOM 761 N ASP A 100 9.786 4.137 -11.165 1.00 17.69 N ATOM 762 CA ASP A 100 10.794 3.264 -11.683 1.00 16.39 C ATOM 763 C ASP A 100 12.209 3.533 -11.194 1.00 14.41 C ATOM 764 O ASP A 100 12.566 4.680 -10.927 1.00 14.47 O ATOM 765 CB ASP A 100 10.750 3.306 -13.251 1.00 17.82 C ATOM 766 CG ASP A 100 9.320 3.050 -13.810 1.00 21.15 C ATOM 767 OD1 ASP A 100 8.754 1.968 -13.499 1.00 24.31 O ATOM 768 OD2 ASP A 100 8.853 4.001 -14.528 1.00 30.41 O ATOM 769 H ASP A 100 9.461 4.970 -11.697 1.00 0.00 H ATOM 770 N HIS A 101 12.969 2.446 -11.122 1.00 12.84 N ATOM 771 CA HIS A 101 14.363 2.622 -10.827 1.00 12.87 C ATOM 772 C HIS A 101 14.595 3.273 -9.454 1.00 11.10 C ATOM 773 O HIS A 101 15.532 4.039 -9.268 1.00 11.18 O ATOM 774 CB HIS A 101 15.138 3.267 -11.914 1.00 13.71 C ATOM 775 CG HIS A 101 14.656 2.905 -13.291 1.00 15.02 C ATOM 776 ND1 HIS A 101 14.570 1.589 -13.709 1.00 17.73 N ATOM 777 CD2 HIS A 101 14.063 3.670 -14.252 1.00 16.88 C ATOM 778 CE1 HIS A 101 13.990 1.591 -14.900 1.00 20.91 C ATOM 779 NE2 HIS A 101 13.761 2.829 -15.280 1.00 19.79 N ATOM 780 H HIS A 101 12.568 1.499 -11.274 1.00 0.00 H ATOM 781 N ASP A 102 13.754 2.945 -8.475 1.00 11.37 N ATOM 782 CA ASP A 102 13.664 3.664 -7.237 1.00 10.91 C ATOM 783 C ASP A 102 14.622 3.138 -6.192 1.00 9.97 C ATOM 784 O ASP A 102 14.218 2.726 -5.078 1.00 10.05 O ATOM 785 CB ASP A 102 12.232 3.728 -6.779 1.00 13.34 C ATOM 786 CG ASP A 102 11.956 4.711 -5.665 1.00 14.20 C ATOM 787 OD1 ASP A 102 12.824 5.532 -5.279 1.00 13.69 O ATOM 788 OD2 ASP A 102 10.764 4.703 -5.207 1.00 19.05 O ATOM 789 H ASP A 102 13.130 2.125 -8.615 1.00 0.00 H ATOM 790 N LEU A 103 15.918 3.294 -6.453 1.00 8.92 N ATOM 791 CA LEU A 103 17.008 2.800 -5.638 1.00 8.31 C ATOM 792 C LEU A 103 17.996 3.863 -5.404 1.00 8.34 C ATOM 793 O LEU A 103 18.248 4.731 -6.264 1.00 8.77 O ATOM 794 CB LEU A 103 17.633 1.534 -6.184 1.00 8.54 C ATOM 795 CG LEU A 103 16.759 0.310 -6.333 1.00 9.33 C ATOM 796 CD1 LEU A 103 17.559 -0.789 -7.004 1.00 12.12 C ATOM 797 CD2 LEU A 103 16.192 -0.147 -4.998 1.00 9.52 C ATOM 798 H LEU A 103 16.169 3.816 -7.317 1.00 0.00 H ATOM 799 N LEU A 104 18.663 3.769 -4.233 1.00 7.59 N ATOM 800 CA LEU A 104 19.656 4.725 -3.780 1.00 7.56 C ATOM 801 C LEU A 104 20.749 3.939 -3.076 1.00 7.00 C ATOM 802 O LEU A 104 20.414 3.115 -2.182 1.00 7.61 O ATOM 803 CB LEU A 104 19.079 5.718 -2.777 1.00 8.66 C ATOM 804 CG LEU A 104 19.975 6.665 -2.009 1.00 8.69 C ATOM 805 CD1 LEU A 104 20.647 7.562 -2.981 1.00 11.78 C ATOM 806 CD2 LEU A 104 19.149 7.441 -1.010 1.00 9.16 C ATOM 807 H LEU A 104 18.451 2.959 -3.616 1.00 0.00 H ATOM 808 N LEU A 105 22.042 4.166 -3.355 1.00 6.83 N ATOM 809 CA LEU A 105 23.122 3.588 -2.616 1.00 6.52 C ATOM 810 C LEU A 105 23.873 4.644 -1.880 1.00 7.48 C ATOM 811 O LEU A 105 24.259 5.678 -2.440 1.00 9.60 O ATOM 812 CB LEU A 105 24.053 2.733 -3.541 1.00 7.47 C ATOM 813 CG LEU A 105 23.520 1.343 -3.781 1.00 8.01 C ATOM 814 CD1 LEU A 105 24.199 0.700 -4.983 1.00 8.91 C ATOM 815 CD2 LEU A 105 23.719 0.475 -2.550 1.00 8.55 C ATOM 816 H LEU A 105 22.271 4.795 -4.151 1.00 0.00 H ATOM 817 N LEU A 106 24.096 4.413 -0.564 1.00 7.67 N ATOM 818 CA LEU A 106 24.826 5.385 0.299 1.00 7.81 C ATOM 819 C LEU A 106 26.076 4.733 0.721 1.00 8.25 C ATOM 820 O LEU A 106 26.089 3.658 1.350 1.00 8.48 O ATOM 821 CB LEU A 106 23.934 5.700 1.528 1.00 7.69 C ATOM 822 CG LEU A 106 22.605 6.277 1.193 1.00 8.31 C ATOM 823 CD1 LEU A 106 21.705 6.322 2.426 1.00 12.28 C ATOM 824 CD2 LEU A 106 22.752 7.645 0.566 1.00 13.14 C ATOM 825 H LEU A 106 23.747 3.529 -0.142 1.00 0.00 H ATOM 826 N GLN A 107 27.201 5.411 0.408 1.00 8.98 N ATOM 827 CA GLN A 107 28.516 4.924 0.858 1.00 9.32 C ATOM 828 C GLN A 107 28.821 5.615 2.192 1.00 10.32 C ATOM 829 O GLN A 107 28.896 6.818 2.289 1.00 10.27 O ATOM 830 CB GLN A 107 29.613 5.270 -0.158 1.00 10.35 C ATOM 831 CG GLN A 107 30.947 4.726 0.229 1.00 13.66 C ATOM 832 CD GLN A 107 32.017 5.063 -0.789 1.00 16.65 C ATOM 833 OE1 GLN A 107 31.906 6.099 -1.415 1.00 23.24 O ATOM 834 NE2 GLN A 107 33.052 4.311 -0.797 1.00 22.11 N ATOM 835 HE22 GLN A 107 33.065 3.439 -0.231 1.00 0.00 H ATOM 836 HE21 GLN A 107 33.880 4.572 -1.369 1.00 0.00 H ATOM 837 H GLN A 107 27.138 6.283 -0.155 1.00 0.00 H ATOM 838 N LEU A 108 29.004 4.768 3.205 1.00 9.00 N ATOM 839 CA LEU A 108 29.297 5.276 4.530 1.00 10.53 C ATOM 840 C LEU A 108 30.707 5.859 4.581 1.00 10.50 C ATOM 841 O LEU A 108 31.557 5.484 3.747 1.00 10.98 O ATOM 842 CB LEU A 108 29.174 4.194 5.591 1.00 9.72 C ATOM 843 CG LEU A 108 27.879 3.424 5.605 1.00 10.31 C ATOM 844 CD1 LEU A 108 27.884 2.335 6.648 1.00 11.85 C ATOM 845 CD2 LEU A 108 26.674 4.346 5.758 1.00 10.97 C ATOM 846 H LEU A 108 28.936 3.743 3.044 1.00 0.00 H ATOM 847 N SER A 109 31.002 6.713 5.534 1.00 10.64 N ATOM 848 CA SER A 109 32.346 7.345 5.597 1.00 12.62 C ATOM 849 C SER A 109 33.444 6.375 5.964 1.00 11.59 C ATOM 850 O SER A 109 34.608 6.621 5.635 1.00 15.34 O ATOM 851 CB SER A 109 32.301 8.450 6.584 1.00 16.80 C ATOM 852 OG SER A 109 32.084 7.901 7.871 1.00 19.66 O ATOM 853 HG SER A 109 32.052 8.631 8.539 1.00 0.00 H ATOM 854 H SER A 109 30.288 6.950 6.252 1.00 0.00 H ATOM 855 N GLU A 110 33.107 5.235 6.557 1.00 11.72 N ATOM 856 CA GLU A 110 34.011 4.120 6.798 1.00 12.86 C ATOM 857 C GLU A 110 33.216 2.854 6.832 1.00 11.43 C ATOM 858 O GLU A 110 32.003 2.871 6.945 1.00 11.15 O ATOM 859 CB GLU A 110 34.815 4.334 8.037 1.00 16.99 C ATOM 860 CG GLU A 110 34.046 4.352 9.224 1.00 18.06 C ATOM 861 CD GLU A 110 35.087 4.597 10.376 1.00 25.74 C ATOM 862 OE1 GLU A 110 36.268 4.153 10.438 1.00 35.35 O ATOM 863 OE2 GLU A 110 34.776 5.337 11.151 1.00 25.93 O ATOM 864 H GLU A 110 32.122 5.131 6.873 1.00 0.00 H ATOM 865 N LYS A 111 33.905 1.708 6.739 1.00 13.15 N ATOM 866 CA LYS A 111 33.236 0.473 6.890 1.00 11.88 C ATOM 867 C LYS A 111 32.531 0.381 8.239 1.00 13.36 C ATOM 868 O LYS A 111 33.056 0.784 9.255 1.00 14.36 O ATOM 869 CB LYS A 111 34.231 -0.696 6.768 1.00 16.61 C ATOM 870 CG LYS A 111 34.736 -0.858 5.330 1.00 19.57 C ATOM 871 CD LYS A 111 35.666 -2.045 5.034 1.00 29.21 C ATOM 872 CE LYS A 111 36.851 -1.883 5.891 1.00 31.41 C ATOM 873 NZ LYS A 111 37.814 -3.014 5.691 1.00 52.52 N ATOM 874 HZ1 LYS A 111 37.347 -3.912 5.931 1.00 0.00 H ATOM 875 HZ2 LYS A 111 38.120 -3.036 4.697 1.00 0.00 H ATOM 876 HZ3 LYS A 111 38.641 -2.876 6.306 1.00 0.00 H ATOM 877 H LYS A 111 34.929 1.728 6.556 1.00 0.00 H ATOM 878 N ALA A 112 31.338 -0.208 8.192 1.00 11.54 N ATOM 879 CA ALA A 112 30.576 -0.369 9.436 1.00 11.89 C ATOM 880 C ALA A 112 31.272 -1.369 10.339 1.00 11.32 C ATOM 881 O ALA A 112 31.735 -2.385 9.890 1.00 13.48 O ATOM 882 CB ALA A 112 29.180 -0.805 9.138 1.00 12.97 C ATOM 883 H ALA A 112 30.952 -0.549 7.288 1.00 0.00 H ATOM 884 N THR A 113 31.279 -1.104 11.630 1.00 13.14 N ATOM 885 CA THR A 113 31.748 -2.104 12.593 1.00 14.07 C ATOM 886 C THR A 113 30.699 -3.184 12.720 1.00 12.87 C ATOM 887 O THR A 113 29.508 -2.936 13.049 1.00 13.52 O ATOM 888 CB THR A 113 31.873 -1.423 13.953 1.00 17.25 C ATOM 889 OG1 THR A 113 32.793 -0.338 13.875 1.00 20.68 O ATOM 890 CG2 THR A 113 32.443 -2.489 14.938 1.00 20.68 C ATOM 891 HG1 THR A 113 32.866 0.096 14.762 1.00 0.00 H ATOM 892 H THR A 113 30.949 -0.178 11.968 1.00 0.00 H ATOM 893 N LEU A 114 31.064 -4.453 12.418 1.00 14.87 N ATOM 894 CA LEU A 114 30.124 -5.526 12.360 1.00 13.91 C ATOM 895 C LEU A 114 30.037 -6.233 13.708 1.00 15.32 C ATOM 896 O LEU A 114 31.031 -6.287 14.485 1.00 19.67 O ATOM 897 CB LEU A 114 30.479 -6.506 11.227 1.00 15.71 C ATOM 898 CG LEU A 114 30.484 -5.856 9.814 1.00 17.22 C ATOM 899 CD1 LEU A 114 30.656 -6.976 8.745 1.00 22.04 C ATOM 900 CD2 LEU A 114 29.316 -4.902 9.561 1.00 16.23 C ATOM 901 H LEU A 114 32.065 -4.653 12.221 1.00 0.00 H ATOM 902 N GLY A 115 28.954 -6.894 13.912 1.00 15.26 N ATOM 903 CA GLY A 115 28.764 -7.706 15.138 1.00 15.82 C ATOM 904 C GLY A 115 27.408 -8.334 15.079 1.00 16.31 C ATOM 905 O GLY A 115 26.647 -8.234 14.125 1.00 16.05 O ATOM 906 H GLY A 115 28.195 -6.859 13.202 1.00 0.00 H ATOM 907 N PRO A 118 26.901 -8.879 16.250 1.00 17.30 N ATOM 908 CA PRO A 118 25.603 -9.467 16.262 1.00 17.16 C ATOM 909 C PRO A 118 24.400 -8.519 15.904 1.00 16.30 C ATOM 910 O PRO A 118 23.383 -8.956 15.361 1.00 16.44 O ATOM 911 CB PRO A 118 25.505 -9.992 17.677 1.00 16.94 C ATOM 912 CG PRO A 118 26.874 -10.213 18.134 1.00 23.33 C ATOM 913 CD PRO A 118 27.627 -9.114 17.476 1.00 18.51 C ATOM 914 N ALA A 119 24.596 -7.238 16.132 1.00 13.90 N ATOM 915 CA ALA A 119 23.551 -6.262 15.889 1.00 13.32 C ATOM 916 C ALA A 119 23.764 -5.421 14.569 1.00 11.40 C ATOM 917 O ALA A 119 22.884 -4.625 14.274 1.00 11.58 O ATOM 918 CB ALA A 119 23.442 -5.255 17.029 1.00 16.36 C ATOM 919 H ALA A 119 25.518 -6.919 16.493 1.00 0.00 H ATOM 920 N VAL A 120 24.862 -5.632 13.865 1.00 11.02 N ATOM 921 CA VAL A 120 25.159 -4.919 12.620 1.00 10.66 C ATOM 922 C VAL A 120 25.772 -5.902 11.642 1.00 11.52 C ATOM 923 O VAL A 120 26.920 -6.338 11.846 1.00 12.21 O ATOM 924 CB VAL A 120 26.082 -3.722 12.818 1.00 11.04 C ATOM 925 CG1 VAL A 120 26.298 -2.990 11.484 1.00 11.62 C ATOM 926 CG2 VAL A 120 25.490 -2.759 13.856 1.00 11.23 C ATOM 927 H VAL A 120 25.546 -6.336 14.210 1.00 0.00 H ATOM 928 N ARG A 121 25.035 -6.276 10.605 1.00 10.95 N ATOM 929 CA ARG A 121 25.514 -7.216 9.657 1.00 12.76 C ATOM 930 C ARG A 121 24.838 -6.986 8.347 1.00 11.29 C ATOM 931 O ARG A 121 23.633 -6.811 8.283 1.00 11.22 O ATOM 932 CB ARG A 121 25.189 -8.670 10.105 1.00 16.85 C ATOM 933 CG ARG A 121 25.696 -9.719 9.191 1.00 25.51 C ATOM 934 CD ARG A 121 27.115 -9.865 9.405 1.00 36.98 C ATOM 935 NE ARG A 121 27.479 -10.069 10.807 1.00 39.76 N ATOM 936 CZ ARG A 121 28.755 -10.207 11.156 1.00 39.00 C ATOM 937 NH1 ARG A 121 29.707 -10.095 10.189 1.00 31.27 N ATOM 938 NH2 ARG A 121 29.138 -10.449 12.449 1.00 39.20 N ATOM 939 HE ARG A 121 26.737 -10.106 11.534 1.00 0.00 H ATOM 940 HH12 ARG A 121 30.712 -10.199 10.435 1.00 0.00 H ATOM 941 HH11 ARG A 121 29.429 -9.906 9.205 1.00 0.00 H ATOM 942 HH22 ARG A 121 30.146 -10.551 12.682 1.00 0.00 H ATOM 943 HH21 ARG A 121 28.420 -10.531 13.197 1.00 0.00 H ATOM 944 H ARG A 121 24.085 -5.871 10.484 1.00 0.00 H ATOM 945 N PRO A 122 25.543 -7.096 7.184 1.00 10.94 N ATOM 946 CA PRO A 122 24.866 -6.987 5.895 1.00 10.03 C ATOM 947 C PRO A 122 23.915 -8.145 5.647 1.00 10.23 C ATOM 948 O PRO A 122 24.170 -9.240 6.098 1.00 11.69 O ATOM 949 CB PRO A 122 26.025 -6.960 4.905 1.00 11.81 C ATOM 950 CG PRO A 122 27.246 -6.481 5.663 1.00 15.64 C ATOM 951 CD PRO A 122 26.991 -7.226 7.004 1.00 14.40 C ATOM 952 N LEU A 123 22.844 -7.852 4.907 1.00 9.88 N ATOM 953 CA LEU A 123 21.873 -8.865 4.475 1.00 10.04 C ATOM 954 C LEU A 123 22.257 -9.376 3.129 1.00 10.99 C ATOM 955 O LEU A 123 22.325 -8.564 2.181 1.00 11.29 O ATOM 956 CB LEU A 123 20.477 -8.242 4.479 1.00 10.17 C ATOM 957 CG LEU A 123 19.329 -9.091 4.062 1.00 11.87 C ATOM 958 CD1 LEU A 123 19.231 -10.284 4.995 1.00 12.97 C ATOM 959 CD2 LEU A 123 18.042 -8.383 4.151 1.00 12.73 C ATOM 960 H LEU A 123 22.690 -6.863 4.624 1.00 0.00 H ATOM 961 N PRO A 124 22.302 -10.682 2.907 1.00 10.08 N ATOM 962 CA PRO A 124 22.456 -11.178 1.531 1.00 11.43 C ATOM 963 C PRO A 124 21.264 -10.756 0.714 1.00 11.22 C ATOM 964 O PRO A 124 20.088 -10.747 1.207 1.00 11.91 O ATOM 965 CB PRO A 124 22.473 -12.712 1.702 1.00 12.60 C ATOM 966 CG PRO A 124 23.028 -12.876 3.063 1.00 16.66 C ATOM 967 CD PRO A 124 22.332 -11.756 3.858 1.00 13.37 C ATOM 968 N TRP A 124A 21.520 -10.453 -0.564 1.00 11.53 N ATOM 969 CA TRP A 124A 20.489 -9.984 -1.401 1.00 11.49 C ATOM 970 C TRP A 124A 20.351 -10.762 -2.703 1.00 11.93 C ATOM 971 O TRP A 124A 21.309 -11.403 -3.195 1.00 13.07 O ATOM 972 CB TRP A 124A 20.678 -8.430 -1.667 1.00 13.55 C ATOM 973 CG TRP A 124A 21.977 -8.058 -2.344 1.00 12.98 C ATOM 974 CD1 TRP A 124A 23.201 -7.801 -1.736 1.00 15.64 C ATOM 975 CD2 TRP A 124A 22.193 -7.875 -3.742 1.00 13.65 C ATOM 976 NE1 TRP A 124A 24.075 -7.448 -2.677 1.00 15.07 N ATOM 977 CE2 TRP A 124A 23.537 -7.478 -3.907 1.00 15.37 C ATOM 978 CE3 TRP A 124A 21.369 -8.030 -4.885 1.00 15.24 C ATOM 979 CZ2 TRP A 124A 24.057 -7.238 -5.121 1.00 16.53 C ATOM 980 CZ3 TRP A 124A 21.918 -7.781 -6.125 1.00 17.37 C ATOM 981 CH2 TRP A 124A 23.295 -7.382 -6.225 1.00 16.69 C ATOM 982 HE1 TRP A 124A 25.061 -7.180 -2.482 1.00 0.00 H ATOM 983 H TRP A 124A 22.483 -10.564 -0.940 1.00 0.00 H ATOM 984 N GLN A 125 19.115 -10.813 -3.210 1.00 11.80 N ATOM 985 CA GLN A 125 18.729 -11.718 -4.274 1.00 12.92 C ATOM 986 C GLN A 125 19.335 -11.268 -5.588 1.00 13.28 C ATOM 987 O GLN A 125 19.125 -10.182 -6.078 1.00 14.77 O ATOM 988 CB GLN A 125 17.245 -11.781 -4.431 1.00 12.12 C ATOM 989 CG GLN A 125 16.765 -12.723 -5.513 1.00 15.34 C ATOM 990 CD GLN A 125 17.105 -14.123 -5.129 1.00 16.20 C ATOM 991 OE1 GLN A 125 18.088 -14.638 -5.632 1.00 20.01 O ATOM 992 NE2 GLN A 125 16.373 -14.698 -4.238 1.00 21.69 N ATOM 993 HE22 GLN A 125 15.545 -14.204 -3.847 1.00 0.00 H ATOM 994 HE21 GLN A 125 16.610 -15.656 -3.910 1.00 0.00 H ATOM 995 H GLN A 125 18.395 -10.171 -2.821 1.00 0.00 H ATOM 996 N ARG A 126 20.029 -12.164 -6.224 1.00 16.89 N ATOM 997 CA ARG A 126 20.532 -11.990 -7.550 1.00 19.55 C ATOM 998 C ARG A 126 19.803 -12.842 -8.652 1.00 19.51 C ATOM 999 O ARG A 126 19.906 -12.519 -9.833 1.00 27.05 O ATOM 1000 CB ARG A 126 22.035 -12.296 -7.499 1.00 26.10 C ATOM 1001 H ARG A 126 20.230 -13.062 -5.739 1.00 0.00 H ATOM 1002 N VAL A 127 18.993 -13.796 -8.281 1.00 19.50 N ATOM 1003 CA VAL A 127 18.302 -14.605 -9.229 1.00 24.70 C ATOM 1004 C VAL A 127 17.030 -13.877 -9.585 1.00 21.54 C ATOM 1005 O VAL A 127 16.064 -13.686 -8.749 1.00 20.30 O ATOM 1006 CB VAL A 127 18.044 -16.035 -8.693 1.00 29.15 C ATOM 1007 CG1 VAL A 127 17.282 -16.862 -9.700 1.00 30.53 C ATOM 1008 CG2 VAL A 127 19.405 -16.709 -8.438 1.00 31.68 C ATOM 1009 H VAL A 127 18.848 -13.970 -7.266 1.00 0.00 H ATOM 1010 N ASP A 128 16.992 -13.483 -10.862 1.00 21.24 N ATOM 1011 CA ASP A 128 15.864 -12.693 -11.343 1.00 20.06 C ATOM 1012 C ASP A 128 14.638 -13.436 -11.787 1.00 20.74 C ATOM 1013 O ASP A 128 14.318 -13.509 -13.026 1.00 21.80 O ATOM 1014 CB ASP A 128 16.452 -11.717 -12.373 1.00 17.90 C ATOM 1015 CG ASP A 128 15.505 -10.577 -12.791 1.00 18.62 C ATOM 1016 OD1 ASP A 128 14.563 -10.320 -12.050 1.00 20.57 O ATOM 1017 OD2 ASP A 128 15.720 -9.900 -13.887 1.00 19.43 O ATOM 1018 H ASP A 128 17.764 -13.739 -11.510 1.00 0.00 H ATOM 1019 N ARG A 129 13.939 -14.011 -10.816 1.00 18.61 N ATOM 1020 CA ARG A 129 12.722 -14.758 -11.034 1.00 21.96 C ATOM 1021 C ARG A 129 11.793 -14.346 -9.887 1.00 19.09 C ATOM 1022 O ARG A 129 12.251 -14.086 -8.712 1.00 22.90 O ATOM 1023 CB ARG A 129 12.922 -16.243 -11.016 1.00 25.80 C ATOM 1024 CG ARG A 129 13.754 -16.755 -12.227 1.00 32.01 C ATOM 1025 CD ARG A 129 13.652 -18.253 -12.566 1.00 31.80 C ATOM 1026 NE ARG A 129 14.577 -19.002 -11.727 1.00 39.47 N ATOM 1027 CZ ARG A 129 15.905 -19.079 -11.930 1.00 43.01 C ATOM 1028 NH1 ARG A 129 16.492 -18.403 -12.910 1.00 43.49 N ATOM 1029 NH2 ARG A 129 16.693 -19.807 -11.124 1.00 44.64 N ATOM 1030 HE ARG A 129 14.183 -19.514 -10.912 1.00 0.00 H ATOM 1031 HH12 ARG A 129 17.520 -18.477 -13.049 1.00 0.00 H ATOM 1032 HH11 ARG A 129 15.924 -17.800 -13.538 1.00 0.00 H ATOM 1033 HH22 ARG A 129 17.717 -19.852 -11.300 1.00 0.00 H ATOM 1034 HH21 ARG A 129 16.280 -20.326 -10.323 1.00 0.00 H ATOM 1035 H ARG A 129 14.288 -13.918 -9.841 1.00 0.00 H ATOM 1036 N ASP A 129A 10.482 -14.470 -10.092 1.00 20.97 N ATOM 1037 CA ASP A 129A 9.536 -14.050 -9.046 1.00 22.32 C ATOM 1038 C ASP A 129A 9.486 -15.117 -7.952 1.00 22.90 C ATOM 1039 O ASP A 129A 9.461 -16.294 -8.231 1.00 27.45 O ATOM 1040 CB ASP A 129A 8.033 -13.963 -9.657 1.00 21.66 C ATOM 1041 CG ASP A 129A 7.736 -12.683 -10.386 1.00 20.23 C ATOM 1042 OD1 ASP A 129A 8.215 -11.658 -9.937 1.00 21.08 O ATOM 1043 OD2 ASP A 129A 6.950 -12.724 -11.427 1.00 21.54 O ATOM 1044 H ASP A 129A 10.129 -14.862 -10.988 1.00 0.00 H ATOM 1045 N VAL A 130 9.131 -14.636 -6.728 1.00 23.64 N ATOM 1046 CA VAL A 130 8.713 -15.564 -5.652 1.00 25.64 C ATOM 1047 C VAL A 130 7.355 -16.211 -5.856 1.00 16.63 C ATOM 1048 O VAL A 130 6.420 -15.740 -6.619 1.00 21.75 O ATOM 1049 CB VAL A 130 8.630 -14.865 -4.226 1.00 28.59 C ATOM 1050 CG1 VAL A 130 9.448 -15.624 -3.230 1.00 55.65 C ATOM 1051 CG2 VAL A 130 8.999 -13.430 -4.156 1.00 41.08 C ATOM 1052 H VAL A 130 9.154 -13.612 -6.548 1.00 0.00 H ATOM 1053 N ALA A 131 7.052 -17.273 -5.155 1.00 20.07 N ATOM 1054 CA ALA A 131 5.771 -17.844 -5.200 1.00 21.90 C ATOM 1055 C ALA A 131 4.778 -16.787 -4.649 1.00 19.12 C ATOM 1056 O ALA A 131 5.065 -16.021 -3.705 1.00 17.80 O ATOM 1057 CB ALA A 131 5.715 -19.129 -4.310 1.00 21.12 C ATOM 1058 H ALA A 131 7.779 -17.705 -4.549 1.00 0.00 H ATOM 1059 N PRO A 132 3.571 -16.772 -5.232 1.00 22.63 N ATOM 1060 CA PRO A 132 2.505 -15.947 -4.651 1.00 19.43 C ATOM 1061 C PRO A 132 2.274 -16.373 -3.265 1.00 18.25 C ATOM 1062 O PRO A 132 2.386 -17.575 -2.936 1.00 18.03 O ATOM 1063 CB PRO A 132 1.224 -16.351 -5.502 1.00 19.34 C ATOM 1064 CG PRO A 132 1.762 -16.828 -6.837 1.00 23.00 C ATOM 1065 CD PRO A 132 3.023 -17.610 -6.332 1.00 24.73 C ATOM 1066 N GLY A 133 2.002 -15.471 -2.422 1.00 14.13 N ATOM 1067 CA GLY A 133 1.739 -15.821 -1.065 1.00 14.11 C ATOM 1068 C GLY A 133 2.918 -15.937 -0.187 1.00 13.12 C ATOM 1069 O GLY A 133 2.759 -16.090 1.016 1.00 13.82 O ATOM 1070 H GLY A 133 1.970 -14.475 -2.718 1.00 0.00 H ATOM 1071 N THR A 134 4.132 -15.969 -0.777 1.00 12.53 N ATOM 1072 CA THR A 134 5.365 -16.053 0.021 1.00 12.46 C ATOM 1073 C THR A 134 5.293 -14.950 1.171 1.00 11.75 C ATOM 1074 O THR A 134 5.028 -13.798 0.880 1.00 12.34 O ATOM 1075 CB THR A 134 6.643 -15.804 -0.797 1.00 13.23 C ATOM 1076 OG1 THR A 134 6.714 -16.802 -1.863 1.00 14.11 O ATOM 1077 CG2 THR A 134 7.852 -15.811 0.031 1.00 14.97 C ATOM 1078 HG1 THR A 134 5.918 -16.718 -2.445 1.00 0.00 H ATOM 1079 H THR A 134 4.197 -15.934 -1.814 1.00 0.00 H ATOM 1080 N LEU A 135 5.571 -15.384 2.368 1.00 13.09 N ATOM 1081 CA LEU A 135 5.528 -14.513 3.468 1.00 13.61 C ATOM 1082 C LEU A 135 6.839 -13.796 3.692 1.00 14.14 C ATOM 1083 O LEU A 135 7.884 -14.458 3.931 1.00 17.95 O ATOM 1084 CB LEU A 135 5.176 -15.266 4.737 1.00 18.64 C ATOM 1085 CG LEU A 135 3.784 -15.324 5.153 1.00 30.38 C ATOM 1086 CD1 LEU A 135 3.779 -16.073 6.534 1.00 31.60 C ATOM 1087 CD2 LEU A 135 3.059 -13.998 5.312 1.00 29.81 C ATOM 1088 H LEU A 135 5.826 -16.382 2.509 1.00 0.00 H ATOM 1089 N CYS A 136 6.804 -12.464 3.520 1.00 12.22 N ATOM 1090 CA CYS A 136 8.007 -11.660 3.610 1.00 11.74 C ATOM 1091 C CYS A 136 7.887 -10.665 4.764 1.00 12.45 C ATOM 1092 O CYS A 136 6.810 -10.312 5.146 1.00 21.23 O ATOM 1093 CB CYS A 136 8.246 -10.931 2.287 1.00 12.37 C ATOM 1094 SG CYS A 136 8.366 -12.039 0.870 1.00 14.44 S ATOM 1095 H CYS A 136 5.895 -12.000 3.318 1.00 0.00 H ATOM 1096 N ASP A 137 8.984 -10.203 5.308 1.00 11.85 N ATOM 1097 CA ASP A 137 9.074 -9.338 6.426 1.00 12.04 C ATOM 1098 C ASP A 137 9.428 -7.963 5.939 1.00 12.16 C ATOM 1099 O ASP A 137 10.445 -7.796 5.241 1.00 12.40 O ATOM 1100 CB ASP A 137 10.166 -9.866 7.375 1.00 15.35 C ATOM 1101 CG ASP A 137 10.246 -9.080 8.697 1.00 23.54 C ATOM 1102 OD1 ASP A 137 9.482 -9.356 9.468 1.00 33.22 O ATOM 1103 OD2 ASP A 137 11.046 -8.064 8.830 1.00 25.00 O ATOM 1104 H ASP A 137 9.881 -10.501 4.875 1.00 0.00 H ATOM 1105 N VAL A 138 8.685 -6.928 6.365 1.00 10.87 N ATOM 1106 CA VAL A 138 9.127 -5.563 6.157 1.00 12.20 C ATOM 1107 C VAL A 138 9.135 -4.836 7.499 1.00 12.23 C ATOM 1108 O VAL A 138 8.222 -5.018 8.337 1.00 14.56 O ATOM 1109 CB VAL A 138 8.236 -4.781 5.171 1.00 13.46 C ATOM 1110 CG1 VAL A 138 6.831 -4.683 5.719 1.00 15.46 C ATOM 1111 CG2 VAL A 138 8.803 -3.401 4.968 1.00 13.84 C ATOM 1112 H VAL A 138 7.783 -7.108 6.849 1.00 0.00 H ATOM 1113 N ALA A 139 10.205 -4.093 7.724 1.00 10.67 N ATOM 1114 CA ALA A 139 10.433 -3.369 8.991 1.00 10.33 C ATOM 1115 C ALA A 139 10.671 -1.937 8.725 1.00 8.84 C ATOM 1116 O ALA A 139 11.118 -1.554 7.626 1.00 9.59 O ATOM 1117 CB ALA A 139 11.575 -4.028 9.738 1.00 13.14 C ATOM 1118 H ALA A 139 10.920 -4.015 6.973 1.00 0.00 H ATOM 1119 N GLY A 140 10.353 -1.064 9.707 1.00 10.03 N ATOM 1120 CA GLY A 140 10.595 0.344 9.526 1.00 9.48 C ATOM 1121 C GLY A 140 10.142 1.146 10.725 1.00 9.45 C ATOM 1122 O GLY A 140 9.475 0.665 11.636 1.00 10.53 O ATOM 1123 H GLY A 140 9.933 -1.409 10.594 1.00 0.00 H ATOM 1124 N TRP A 141 10.612 2.402 10.701 1.00 8.76 N ATOM 1125 CA TRP A 141 10.240 3.412 11.652 1.00 8.40 C ATOM 1126 C TRP A 141 9.237 4.418 11.118 1.00 9.57 C ATOM 1127 O TRP A 141 9.081 5.490 11.623 1.00 9.53 O ATOM 1128 CB TRP A 141 11.469 4.120 12.231 1.00 8.86 C ATOM 1129 CG TRP A 141 12.427 3.337 13.032 1.00 8.71 C ATOM 1130 CD1 TRP A 141 12.451 3.238 14.394 1.00 9.16 C ATOM 1131 CD2 TRP A 141 13.608 2.663 12.629 1.00 8.53 C ATOM 1132 NE1 TRP A 141 13.469 2.552 14.852 1.00 9.83 N ATOM 1133 CE2 TRP A 141 14.237 2.202 13.786 1.00 8.68 C ATOM 1134 CE3 TRP A 141 14.178 2.415 11.356 1.00 8.52 C ATOM 1135 CZ2 TRP A 141 15.435 1.522 13.720 1.00 9.56 C ATOM 1136 CZ3 TRP A 141 15.350 1.769 11.336 1.00 9.39 C ATOM 1137 CH2 TRP A 141 15.984 1.292 12.479 1.00 9.77 C ATOM 1138 HE1 TRP A 141 13.655 2.318 15.848 1.00 0.00 H ATOM 1139 H TRP A 141 11.284 2.659 9.951 1.00 0.00 H ATOM 1140 N GLY A 142 8.534 4.009 10.016 1.00 10.13 N ATOM 1141 CA GLY A 142 7.525 4.844 9.472 1.00 10.04 C ATOM 1142 C GLY A 142 6.237 4.942 10.297 1.00 10.57 C ATOM 1143 O GLY A 142 6.147 4.359 11.417 1.00 11.15 O ATOM 1144 H GLY A 142 8.740 3.088 9.579 1.00 0.00 H ATOM 1145 N ILE A 143 5.316 5.808 9.820 1.00 11.21 N ATOM 1146 CA ILE A 143 4.111 6.078 10.605 1.00 13.48 C ATOM 1147 C ILE A 143 3.339 4.804 10.901 1.00 13.71 C ATOM 1148 O ILE A 143 3.285 3.877 10.069 1.00 14.67 O ATOM 1149 CB ILE A 143 3.286 7.236 10.026 1.00 14.20 C ATOM 1150 CG1 ILE A 143 2.629 6.858 8.701 1.00 15.00 C ATOM 1151 CG2 ILE A 143 4.069 8.538 9.967 1.00 15.80 C ATOM 1152 CD1 ILE A 143 1.651 7.885 8.125 1.00 19.04 C ATOM 1153 H ILE A 143 5.462 6.278 8.904 1.00 0.00 H ATOM 1154 N VAL A 144 2.656 4.846 12.056 1.00 15.53 N ATOM 1155 CA VAL A 144 1.929 3.660 12.466 1.00 16.28 C ATOM 1156 C VAL A 144 0.399 3.878 12.563 1.00 13.25 C ATOM 1157 O VAL A 144 -0.246 2.938 12.911 1.00 17.97 O ATOM 1158 CB VAL A 144 2.502 3.118 13.845 1.00 16.12 C ATOM 1159 CG1 VAL A 144 3.962 2.798 13.652 1.00 16.28 C ATOM 1160 CG2 VAL A 144 2.302 4.026 15.033 1.00 19.37 C ATOM 1161 H VAL A 144 2.648 5.706 12.641 1.00 0.00 H ATOM 1162 N ASN A 145 -0.153 5.003 12.137 1.00 15.12 N ATOM 1163 CA ASN A 145 -1.609 5.121 12.160 1.00 15.76 C ATOM 1164 C ASN A 145 -1.979 6.312 11.275 1.00 16.24 C ATOM 1165 O ASN A 145 -1.146 7.004 10.693 1.00 15.49 O ATOM 1166 CB ASN A 145 -2.105 5.295 13.693 1.00 18.72 C ATOM 1167 CG ASN A 145 -1.678 6.564 14.371 1.00 16.26 C ATOM 1168 OD1 ASN A 145 -1.346 7.613 13.714 1.00 18.86 O ATOM 1169 ND2 ASN A 145 -1.967 6.607 15.660 1.00 25.21 N ATOM 1170 HD22 ASN A 145 -2.233 5.736 16.163 1.00 0.00 H ATOM 1171 HD21 ASN A 145 -1.929 7.512 16.172 1.00 0.00 H ATOM 1172 H ASN A 145 0.438 5.787 11.793 1.00 0.00 H ATOM 1173 N HIS A 146 -3.270 6.495 11.022 1.00 18.55 N ATOM 1174 CA HIS A 146 -3.766 7.554 10.117 1.00 20.57 C ATOM 1175 C HIS A 146 -3.479 8.957 10.586 1.00 15.87 C ATOM 1176 O HIS A 146 -3.398 9.900 9.710 1.00 18.75 O ATOM 1177 CB HIS A 146 -5.254 7.406 9.886 1.00 19.63 C ATOM 1178 CG HIS A 146 -5.620 6.234 9.056 1.00 18.84 C ATOM 1179 ND1 HIS A 146 -6.946 6.032 8.622 1.00 20.89 N ATOM 1180 CD2 HIS A 146 -4.937 5.127 8.674 1.00 17.49 C ATOM 1181 CE1 HIS A 146 -7.023 4.898 7.932 1.00 21.72 C ATOM 1182 NE2 HIS A 146 -5.865 4.324 7.981 1.00 17.71 N ATOM 1183 H HIS A 146 -3.961 5.867 11.480 1.00 0.00 H ATOM 1184 N ALA A 147 -3.358 9.108 11.944 1.00 17.65 N ATOM 1185 CA ALA A 147 -2.967 10.427 12.488 1.00 20.66 C ATOM 1186 C ALA A 147 -1.528 10.844 12.316 1.00 17.83 C ATOM 1187 O ALA A 147 -1.119 11.985 12.285 1.00 17.39 O ATOM 1188 CB ALA A 147 -3.224 10.452 13.977 1.00 21.19 C ATOM 1189 H ALA A 147 -3.539 8.307 12.582 1.00 0.00 H ATOM 1190 N GLY A 149 -0.717 9.828 11.821 1.00 17.53 N ATOM 1191 CA GLY A 149 0.716 9.980 11.568 1.00 17.30 C ATOM 1192 C GLY A 149 1.656 9.762 12.738 1.00 18.49 C ATOM 1193 O GLY A 149 2.737 10.282 12.749 1.00 16.41 O ATOM 1194 H GLY A 149 -1.155 8.907 11.619 1.00 0.00 H ATOM 1195 N ARG A 150 1.232 9.066 13.783 1.00 17.27 N ATOM 1196 CA ARG A 150 2.080 8.766 14.933 1.00 16.02 C ATOM 1197 C ARG A 150 3.418 8.095 14.479 1.00 14.51 C ATOM 1198 O ARG A 150 3.415 7.139 13.696 1.00 16.08 O ATOM 1199 CB ARG A 150 1.393 7.877 15.937 1.00 20.52 C ATOM 1200 CG ARG A 150 2.261 7.680 17.170 1.00 30.43 C ATOM 1201 CD ARG A 150 1.689 6.500 17.991 1.00 40.35 C ATOM 1202 NE ARG A 150 1.516 6.694 19.391 1.00 49.08 N ATOM 1203 CZ ARG A 150 1.419 5.711 20.307 1.00 56.51 C ATOM 1204 NH1 ARG A 150 1.542 4.358 19.996 1.00 75.51 N ATOM 1205 NH2 ARG A 150 1.216 6.087 21.556 1.00 62.14 N ATOM 1206 HE ARG A 150 1.460 7.674 19.734 1.00 0.00 H ATOM 1207 HH12 ARG A 150 1.458 3.642 20.746 1.00 0.00 H ATOM 1208 HH11 ARG A 150 1.718 4.064 19.014 1.00 0.00 H ATOM 1209 HH22 ARG A 150 1.133 5.373 22.307 1.00 0.00 H ATOM 1210 HH21 ARG A 150 1.139 7.098 21.789 1.00 0.00 H ATOM 1211 H ARG A 150 0.252 8.718 13.784 1.00 0.00 H ATOM 1212 N ARG A 151 4.525 8.586 15.062 1.00 14.87 N ATOM 1213 CA ARG A 151 5.887 8.139 14.693 1.00 12.77 C ATOM 1214 C ARG A 151 6.436 7.249 15.815 1.00 12.59 C ATOM 1215 O ARG A 151 6.531 7.714 16.962 1.00 16.15 O ATOM 1216 CB ARG A 151 6.798 9.321 14.496 1.00 12.22 C ATOM 1217 CG ARG A 151 6.367 10.246 13.400 1.00 14.20 C ATOM 1218 CD ARG A 151 7.145 11.451 13.259 1.00 19.73 C ATOM 1219 NE ARG A 151 6.457 12.322 12.278 1.00 16.77 N ATOM 1220 CZ ARG A 151 7.078 13.377 11.704 1.00 19.30 C ATOM 1221 NH1 ARG A 151 8.331 13.747 12.013 1.00 24.73 N ATOM 1222 NH2 ARG A 151 6.432 13.974 10.682 1.00 19.95 N ATOM 1223 HE ARG A 151 5.470 12.116 12.024 1.00 0.00 H ATOM 1224 HH12 ARG A 151 8.762 14.567 11.541 1.00 0.00 H ATOM 1225 HH11 ARG A 151 8.870 13.213 12.724 1.00 0.00 H ATOM 1226 HH22 ARG A 151 6.861 14.791 10.202 1.00 0.00 H ATOM 1227 HH21 ARG A 151 5.505 13.618 10.374 1.00 0.00 H ATOM 1228 H ARG A 151 4.420 9.309 15.802 1.00 0.00 H ATOM 1229 N PRO A 152 6.829 6.000 15.561 1.00 11.47 N ATOM 1230 CA PRO A 152 7.337 5.125 16.611 1.00 11.62 C ATOM 1231 C PRO A 152 8.774 5.452 16.978 1.00 10.72 C ATOM 1232 O PRO A 152 9.618 5.664 16.083 1.00 13.44 O ATOM 1233 CB PRO A 152 7.221 3.725 15.966 1.00 12.77 C ATOM 1234 CG PRO A 152 7.496 3.999 14.482 1.00 13.40 C ATOM 1235 CD PRO A 152 6.805 5.320 14.251 1.00 11.36 C ATOM 1236 N ASP A 153 9.095 5.373 18.255 1.00 11.24 N ATOM 1237 CA ASP A 153 10.509 5.424 18.631 1.00 10.95 C ATOM 1238 C ASP A 153 11.232 4.205 18.225 1.00 11.52 C ATOM 1239 O ASP A 153 12.461 4.274 18.024 1.00 11.75 O ATOM 1240 CB ASP A 153 10.641 5.722 20.122 1.00 14.78 C ATOM 1241 CG ASP A 153 12.074 5.777 20.650 1.00 13.07 C ATOM 1242 OD1 ASP A 153 12.753 6.722 20.316 1.00 15.30 O ATOM 1243 OD2 ASP A 153 12.489 4.808 21.313 1.00 14.41 O ATOM 1244 H ASP A 153 8.357 5.276 18.981 1.00 0.00 H ATOM 1245 N SER A 154 10.584 3.053 18.224 1.00 12.43 N ATOM 1246 CA SER A 154 11.339 1.831 17.997 1.00 12.19 C ATOM 1247 C SER A 154 10.870 1.088 16.793 1.00 13.33 C ATOM 1248 O SER A 154 9.753 1.288 16.247 1.00 13.02 O ATOM 1249 CB SER A 154 11.277 0.921 19.213 1.00 17.34 C ATOM 1250 OG SER A 154 9.933 0.575 19.292 1.00 19.42 O ATOM 1251 HG SER A 154 9.389 1.394 19.406 1.00 0.00 H ATOM 1252 H SER A 154 9.557 3.021 18.382 1.00 0.00 H ATOM 1253 N LEU A 155 11.713 0.206 16.284 1.00 10.95 N ATOM 1254 CA LEU A 155 11.460 -0.444 14.994 1.00 11.33 C ATOM 1255 C LEU A 155 10.244 -1.343 15.083 1.00 12.42 C ATOM 1256 O LEU A 155 10.076 -2.108 16.032 1.00 13.23 O ATOM 1257 CB LEU A 155 12.695 -1.272 14.667 1.00 10.44 C ATOM 1258 CG LEU A 155 12.687 -1.924 13.296 1.00 11.20 C ATOM 1259 CD1 LEU A 155 12.832 -0.972 12.192 1.00 10.40 C ATOM 1260 CD2 LEU A 155 13.858 -2.926 13.238 1.00 12.58 C ATOM 1261 H LEU A 155 12.577 -0.033 16.811 1.00 0.00 H ATOM 1262 N GLN A 156 9.397 -1.207 14.057 1.00 11.54 N ATOM 1263 CA GLN A 156 8.173 -1.993 13.907 1.00 13.06 C ATOM 1264 C GLN A 156 8.382 -2.952 12.697 1.00 12.66 C ATOM 1265 O GLN A 156 9.201 -2.695 11.812 1.00 12.07 O ATOM 1266 CB GLN A 156 7.005 -1.083 13.591 1.00 14.98 C ATOM 1267 CG GLN A 156 6.810 -0.017 14.671 1.00 14.15 C ATOM 1268 CD GLN A 156 6.478 -0.525 16.068 1.00 15.50 C ATOM 1269 OE1 GLN A 156 5.524 -1.299 16.262 1.00 20.22 O ATOM 1270 NE2 GLN A 156 7.297 -0.154 17.014 1.00 17.11 N ATOM 1271 HE22 GLN A 156 8.080 0.496 16.799 1.00 0.00 H ATOM 1272 HE21 GLN A 156 7.167 -0.508 17.983 1.00 0.00 H ATOM 1273 H GLN A 156 9.621 -0.503 13.325 1.00 0.00 H ATOM 1274 N HIS A 157 7.540 -3.944 12.622 1.00 14.67 N ATOM 1275 CA HIS A 157 7.551 -4.824 11.453 1.00 15.31 C ATOM 1276 C HIS A 157 6.193 -5.482 11.192 1.00 16.02 C ATOM 1277 O HIS A 157 5.371 -5.549 12.170 1.00 17.66 O ATOM 1278 CB HIS A 157 8.614 -5.880 11.573 1.00 17.26 C ATOM 1279 CG HIS A 157 8.220 -7.031 12.351 1.00 17.27 C ATOM 1280 ND1 HIS A 157 8.038 -8.252 11.746 1.00 21.88 N ATOM 1281 CD2 HIS A 157 7.901 -7.123 13.642 1.00 20.95 C ATOM 1282 CE1 HIS A 157 7.576 -9.062 12.683 1.00 26.55 C ATOM 1283 NE2 HIS A 157 7.507 -8.419 13.836 1.00 28.13 N ATOM 1284 H HIS A 157 6.861 -4.110 13.392 1.00 0.00 H ATOM 1285 N VAL A 158 6.049 -6.015 10.000 1.00 16.41 N ATOM 1286 CA VAL A 158 4.849 -6.759 9.608 1.00 16.37 C ATOM 1287 C VAL A 158 5.336 -7.871 8.662 1.00 14.35 C ATOM 1288 O VAL A 158 6.291 -7.728 7.896 1.00 16.19 O ATOM 1289 CB VAL A 158 3.817 -5.894 8.868 1.00 21.39 C ATOM 1290 CG1 VAL A 158 3.077 -5.050 9.793 1.00 27.96 C ATOM 1291 CG2 VAL A 158 4.297 -5.070 7.751 1.00 19.29 C ATOM 1292 H VAL A 158 6.817 -5.905 9.307 1.00 0.00 H ATOM 1293 N LEU A 159 4.643 -8.995 8.701 1.00 16.10 N ATOM 1294 CA LEU A 159 4.799 -10.081 7.736 1.00 15.24 C ATOM 1295 C LEU A 159 3.687 -9.993 6.742 1.00 14.41 C ATOM 1296 O LEU A 159 2.551 -9.919 7.120 1.00 19.16 O ATOM 1297 CB LEU A 159 4.737 -11.487 8.423 1.00 18.09 C ATOM 1298 CG LEU A 159 5.764 -11.798 9.415 1.00 23.83 C ATOM 1299 CD1 LEU A 159 5.433 -12.999 10.188 1.00 30.96 C ATOM 1300 CD2 LEU A 159 7.083 -11.971 8.637 1.00 28.52 C ATOM 1301 H LEU A 159 3.946 -9.114 9.463 1.00 0.00 H ATOM 1302 N LEU A 160 4.063 -9.933 5.478 1.00 12.90 N ATOM 1303 CA LEU A 160 3.130 -9.662 4.346 1.00 13.92 C ATOM 1304 C LEU A 160 3.264 -10.692 3.280 1.00 12.20 C ATOM 1305 O LEU A 160 4.415 -11.059 2.876 1.00 13.80 O ATOM 1306 CB LEU A 160 3.502 -8.297 3.666 1.00 14.82 C ATOM 1307 CG LEU A 160 3.495 -7.096 4.616 1.00 16.03 C ATOM 1308 CD1 LEU A 160 3.840 -5.905 3.819 1.00 17.73 C ATOM 1309 CD2 LEU A 160 2.146 -6.879 5.199 1.00 17.64 C ATOM 1310 H LEU A 160 5.068 -10.083 5.259 1.00 0.00 H ATOM 1311 N PRO A 161 2.159 -11.255 2.815 1.00 12.94 N ATOM 1312 CA PRO A 161 2.249 -12.154 1.632 1.00 12.87 C ATOM 1313 C PRO A 161 2.456 -11.385 0.358 1.00 11.95 C ATOM 1314 O PRO A 161 1.826 -10.404 0.061 1.00 14.04 O ATOM 1315 CB PRO A 161 0.902 -12.883 1.666 1.00 13.49 C ATOM 1316 CG PRO A 161 0.021 -12.120 2.553 1.00 20.17 C ATOM 1317 CD PRO A 161 0.781 -11.160 3.402 1.00 13.71 C ATOM 1318 N VAL A 162 3.326 -11.996 -0.491 1.00 12.43 N ATOM 1319 CA VAL A 162 3.488 -11.421 -1.832 1.00 11.26 C ATOM 1320 C VAL A 162 2.235 -11.565 -2.623 1.00 12.75 C ATOM 1321 O VAL A 162 1.513 -12.590 -2.511 1.00 13.12 O ATOM 1322 CB VAL A 162 4.667 -12.150 -2.533 1.00 13.04 C ATOM 1323 CG1 VAL A 162 4.785 -11.817 -4.026 1.00 14.42 C ATOM 1324 CG2 VAL A 162 5.953 -11.805 -1.814 1.00 13.13 C ATOM 1325 H VAL A 162 3.858 -12.841 -0.200 1.00 0.00 H ATOM 1326 N LEU A 163 1.899 -10.558 -3.389 1.00 13.06 N ATOM 1327 CA LEU A 163 0.685 -10.482 -4.199 1.00 13.36 C ATOM 1328 C LEU A 163 1.124 -10.623 -5.604 1.00 13.55 C ATOM 1329 O LEU A 163 1.956 -9.784 -6.091 1.00 15.87 O ATOM 1330 CB LEU A 163 -0.089 -9.183 -4.077 1.00 14.65 C ATOM 1331 CG LEU A 163 -1.383 -9.118 -4.836 1.00 13.15 C ATOM 1332 CD1 LEU A 163 -2.467 -9.990 -4.143 1.00 15.29 C ATOM 1333 CD2 LEU A 163 -1.845 -7.667 -4.904 1.00 13.83 C ATOM 1334 H LEU A 163 2.548 -9.746 -3.424 1.00 0.00 H ATOM 1335 N ASP A 164 0.582 -11.539 -6.365 1.00 13.19 N ATOM 1336 CA ASP A 164 0.965 -11.785 -7.734 1.00 14.37 C ATOM 1337 C ASP A 164 0.790 -10.486 -8.628 1.00 16.28 C ATOM 1338 O ASP A 164 -0.099 -9.704 -8.443 1.00 16.91 O ATOM 1339 CB ASP A 164 0.087 -12.940 -8.342 1.00 15.40 C ATOM 1340 CG ASP A 164 -1.379 -12.519 -8.634 1.00 15.41 C ATOM 1341 OD1 ASP A 164 -2.190 -12.602 -7.608 1.00 17.59 O ATOM 1342 OD2 ASP A 164 -1.539 -12.118 -9.789 1.00 20.31 O ATOM 1343 H ASP A 164 -0.173 -12.127 -5.957 1.00 0.00 H ATOM 1344 N ARG A 165 1.695 -10.305 -9.536 1.00 15.70 N ATOM 1345 CA ARG A 165 1.762 -9.072 -10.340 1.00 15.90 C ATOM 1346 C ARG A 165 0.537 -8.861 -11.182 1.00 16.96 C ATOM 1347 O ARG A 165 0.137 -7.711 -11.351 1.00 18.52 O ATOM 1348 CB ARG A 165 3.028 -9.100 -11.210 1.00 16.82 C ATOM 1349 CG ARG A 165 3.280 -7.859 -12.016 1.00 18.04 C ATOM 1350 CD ARG A 165 4.615 -7.762 -12.812 1.00 18.46 C ATOM 1351 NE ARG A 165 5.818 -7.901 -11.955 1.00 17.38 N ATOM 1352 CZ ARG A 165 6.360 -9.050 -11.621 1.00 17.65 C ATOM 1353 NH1 ARG A 165 6.007 -10.204 -12.201 1.00 16.72 N ATOM 1354 NH2 ARG A 165 7.322 -8.984 -10.754 1.00 20.18 N ATOM 1355 HE ARG A 165 6.261 -7.032 -11.595 1.00 0.00 H ATOM 1356 HH12 ARG A 165 6.460 -11.093 -11.908 1.00 0.00 H ATOM 1357 HH11 ARG A 165 5.280 -10.211 -12.944 1.00 0.00 H ATOM 1358 HH22 ARG A 165 7.800 -9.853 -10.441 1.00 0.00 H ATOM 1359 HH21 ARG A 165 7.615 -8.062 -10.372 1.00 0.00 H ATOM 1360 H ARG A 165 2.397 -11.054 -9.703 1.00 0.00 H ATOM 1361 N ALA A 166 -0.042 -9.968 -11.706 1.00 16.55 N ATOM 1362 CA ALA A 166 -1.275 -9.796 -12.496 1.00 19.02 C ATOM 1363 C ALA A 166 -2.395 -9.168 -11.746 1.00 17.51 C ATOM 1364 O ALA A 166 -3.002 -8.171 -12.242 1.00 23.09 O ATOM 1365 CB ALA A 166 -1.717 -11.072 -13.154 1.00 18.76 C ATOM 1366 H ALA A 166 0.371 -10.911 -11.556 1.00 0.00 H ATOM 1367 N THR A 167 -2.584 -9.599 -10.484 1.00 18.11 N ATOM 1368 CA THR A 167 -3.597 -9.000 -9.630 1.00 19.02 C ATOM 1369 C THR A 167 -3.170 -7.594 -9.371 1.00 16.54 C ATOM 1370 O THR A 167 -3.985 -6.683 -9.459 1.00 21.22 O ATOM 1371 CB THR A 167 -3.783 -9.746 -8.327 1.00 19.51 C ATOM 1372 OG1 THR A 167 -4.183 -11.068 -8.639 1.00 21.60 O ATOM 1373 CG2 THR A 167 -4.820 -9.071 -7.388 1.00 20.69 C ATOM 1374 HG1 THR A 167 -3.483 -11.503 -9.188 1.00 0.00 H ATOM 1375 H THR A 167 -1.996 -10.373 -10.114 1.00 0.00 H ATOM 1376 N CYS A 168 -1.893 -7.354 -9.114 1.00 18.97 N ATOM 1377 CA CYS A 168 -1.437 -6.014 -8.715 1.00 17.65 C ATOM 1378 C CYS A 168 -1.620 -4.970 -9.852 1.00 18.92 C ATOM 1379 O CYS A 168 -1.896 -3.800 -9.586 1.00 21.02 O ATOM 1380 CB CYS A 168 -0.001 -6.071 -8.352 1.00 15.89 C ATOM 1381 SG CYS A 168 0.411 -4.703 -7.214 1.00 17.70 S ATOM 1382 H CYS A 168 -1.201 -8.126 -9.196 1.00 0.00 H ATOM 1383 N ASN A 169 -1.625 -5.439 -11.042 1.00 19.52 N ATOM 1384 CA ASN A 169 -1.794 -4.645 -12.282 1.00 20.55 C ATOM 1385 C ASN A 169 -3.172 -4.394 -12.787 1.00 23.89 C ATOM 1386 O ASN A 169 -3.358 -3.624 -13.730 1.00 27.45 O ATOM 1387 CB ASN A 169 -0.957 -5.237 -13.424 1.00 22.55 C ATOM 1388 CG ASN A 169 0.435 -4.661 -13.482 1.00 21.30 C ATOM 1389 OD1 ASN A 169 0.631 -3.409 -13.202 1.00 23.28 O ATOM 1390 ND2 ASN A 169 1.426 -5.501 -13.832 1.00 22.15 N ATOM 1391 HD22 ASN A 169 1.213 -6.496 -14.046 1.00 0.00 H ATOM 1392 HD21 ASN A 169 2.405 -5.155 -13.888 1.00 0.00 H ATOM 1393 H ASN A 169 -1.500 -6.466 -11.149 1.00 0.00 H ATOM 1394 N ARG A 170 -4.138 -5.030 -12.188 1.00 21.00 N ATOM 1395 CA ARG A 170 -5.488 -4.817 -12.628 1.00 26.16 C ATOM 1396 C ARG A 170 -5.874 -3.325 -12.463 1.00 28.42 C ATOM 1397 O ARG A 170 -5.304 -2.627 -11.590 1.00 26.28 O ATOM 1398 CB ARG A 170 -6.408 -5.581 -11.754 1.00 26.77 C ATOM 1399 CG ARG A 170 -6.333 -7.123 -11.842 1.00 27.42 C ATOM 1400 CD ARG A 170 -7.162 -7.694 -10.726 1.00 44.08 C ATOM 1401 NE ARG A 170 -8.492 -8.342 -11.012 1.00 65.89 N ATOM 1402 CZ ARG A 170 -9.230 -8.900 -10.063 1.00 56.24 C ATOM 1403 NH1 ARG A 170 -8.766 -8.864 -8.842 1.00 45.31 N ATOM 1404 NH2 ARG A 170 -10.430 -9.504 -10.324 1.00 58.03 N ATOM 1405 HE ARG A 170 -8.844 -8.352 -11.991 1.00 0.00 H ATOM 1406 HH12 ARG A 170 -9.312 -9.290 -8.066 1.00 0.00 H ATOM 1407 HH11 ARG A 170 -7.851 -8.410 -8.647 1.00 0.00 H ATOM 1408 HH22 ARG A 170 -10.977 -9.930 -9.549 1.00 0.00 H ATOM 1409 HH21 ARG A 170 -10.795 -9.537 -11.297 1.00 0.00 H ATOM 1410 H ARG A 170 -3.935 -5.682 -11.403 1.00 0.00 H ATOM 1411 N ARG A 170A -6.808 -2.863 -13.324 1.00 30.65 N ATOM 1412 CA ARG A 170A -7.244 -1.450 -13.344 1.00 31.88 C ATOM 1413 C ARG A 170A -7.642 -0.903 -11.924 1.00 28.11 C ATOM 1414 O ARG A 170A -7.304 0.195 -11.510 1.00 39.83 O ATOM 1415 CB ARG A 170A -8.438 -1.306 -14.252 1.00 35.75 C ATOM 1416 CG ARG A 170A -8.610 0.099 -14.778 1.00 53.60 C ATOM 1417 CD ARG A 170A -8.320 0.153 -16.301 1.00 71.68 C ATOM 1418 NE ARG A 170A -8.588 1.491 -16.768 1.00 70.40 N ATOM 1419 CZ ARG A 170A -9.815 1.977 -17.050 1.00 77.86 C ATOM 1420 NH1 ARG A 170A -10.940 1.226 -16.945 1.00 64.06 N ATOM 1421 NH2 ARG A 170A -9.910 3.239 -17.479 1.00 67.69 N ATOM 1422 HE ARG A 170A -7.776 2.128 -16.897 1.00 0.00 H ATOM 1423 HH12 ARG A 170A -11.866 1.642 -17.173 1.00 0.00 H ATOM 1424 HH11 ARG A 170A -10.877 0.235 -16.637 1.00 0.00 H ATOM 1425 HH22 ARG A 170A -10.841 3.643 -17.705 1.00 0.00 H ATOM 1426 HH21 ARG A 170A -9.052 3.817 -17.587 1.00 0.00 H ATOM 1427 H ARG A 170A -7.237 -3.528 -13.999 1.00 0.00 H ATOM 1428 N THR A 170B -8.304 -1.718 -11.165 1.00 32.20 N ATOM 1429 CA THR A 170B -8.716 -1.386 -9.802 1.00 32.71 C ATOM 1430 C THR A 170B -7.555 -1.285 -8.810 1.00 32.44 C ATOM 1431 O THR A 170B -7.754 -0.725 -7.735 1.00 32.73 O ATOM 1432 CB THR A 170B -9.733 -2.435 -9.273 1.00 37.04 C ATOM 1433 OG1 THR A 170B -9.147 -3.710 -9.223 1.00 49.03 O ATOM 1434 CG2 THR A 170B -10.922 -2.537 -10.158 1.00 37.98 C ATOM 1435 HG1 THR A 170B -9.809 -4.363 -8.884 1.00 0.00 H ATOM 1436 H THR A 170B -8.554 -2.654 -11.544 1.00 0.00 H ATOM 1437 N HIS A 171 -6.403 -1.908 -9.115 1.00 27.20 N ATOM 1438 CA HIS A 171 -5.279 -1.889 -8.222 1.00 25.76 C ATOM 1439 C HIS A 171 -4.274 -0.859 -8.740 1.00 23.23 C ATOM 1440 O HIS A 171 -4.581 0.319 -8.718 1.00 28.92 O ATOM 1441 CB HIS A 171 -4.777 -3.355 -8.024 1.00 24.27 C ATOM 1442 CG HIS A 171 -5.765 -4.240 -7.317 1.00 26.17 C ATOM 1443 ND1 HIS A 171 -6.279 -5.391 -7.841 1.00 33.58 N ATOM 1444 CD2 HIS A 171 -6.440 -4.054 -6.160 1.00 37.05 C ATOM 1445 CE1 HIS A 171 -7.180 -5.879 -7.013 1.00 29.20 C ATOM 1446 NE2 HIS A 171 -7.250 -5.128 -5.952 1.00 38.55 N ATOM 1447 H HIS A 171 -6.324 -2.416 -10.019 1.00 0.00 H ATOM 1448 N HIS A 172 -3.172 -1.240 -9.306 1.00 22.48 N ATOM 1449 CA HIS A 172 -2.144 -0.293 -9.812 1.00 22.38 C ATOM 1450 C HIS A 172 -2.148 -0.105 -11.344 1.00 19.85 C ATOM 1451 O HIS A 172 -1.192 0.495 -11.952 1.00 22.78 O ATOM 1452 CB HIS A 172 -0.805 -0.598 -9.206 1.00 18.47 C ATOM 1453 CG HIS A 172 -0.789 -0.344 -7.748 1.00 19.33 C ATOM 1454 ND1 HIS A 172 -1.095 0.895 -7.230 1.00 20.48 N ATOM 1455 CD2 HIS A 172 -0.393 -1.115 -6.685 1.00 20.26 C ATOM 1456 CE1 HIS A 172 -0.960 0.852 -5.906 1.00 21.42 C ATOM 1457 NE2 HIS A 172 -0.480 -0.337 -5.553 1.00 19.00 N ATOM 1458 H HIS A 172 -2.998 -2.260 -9.411 1.00 0.00 H ATOM 1459 N ASP A 173 -3.106 -0.758 -12.001 1.00 23.89 N ATOM 1460 CA ASP A 173 -3.469 -0.413 -13.367 1.00 28.07 C ATOM 1461 C ASP A 173 -2.296 -0.324 -14.369 1.00 26.72 C ATOM 1462 O ASP A 173 -2.055 0.728 -15.026 1.00 28.22 O ATOM 1463 CB ASP A 173 -4.303 0.903 -13.331 1.00 31.23 C ATOM 1464 CG ASP A 173 -4.980 1.240 -14.685 1.00 35.07 C ATOM 1465 OD1 ASP A 173 -5.199 0.282 -15.491 1.00 43.31 O ATOM 1466 OD2 ASP A 173 -5.250 2.464 -14.885 1.00 43.63 O ATOM 1467 H ASP A 173 -3.607 -1.535 -11.525 1.00 0.00 H ATOM 1468 N GLY A 174 -1.568 -1.460 -14.467 1.00 24.74 N ATOM 1469 CA GLY A 174 -0.507 -1.564 -15.429 1.00 28.31 C ATOM 1470 C GLY A 174 0.830 -0.991 -15.023 1.00 23.77 C ATOM 1471 O GLY A 174 1.711 -1.144 -15.778 1.00 26.38 O ATOM 1472 H GLY A 174 -1.778 -2.264 -13.841 1.00 0.00 H ATOM 1473 N ALA A 175 0.966 -0.355 -13.858 1.00 25.06 N ATOM 1474 CA ALA A 175 2.224 0.275 -13.424 1.00 26.25 C ATOM 1475 C ALA A 175 3.236 -0.611 -12.862 1.00 23.79 C ATOM 1476 O ALA A 175 4.356 -0.201 -12.746 1.00 25.84 O ATOM 1477 CB ALA A 175 1.898 1.370 -12.478 1.00 25.76 C ATOM 1478 H ALA A 175 0.143 -0.302 -13.225 1.00 0.00 H ATOM 1479 N ILE A 176 2.895 -1.877 -12.605 1.00 20.68 N ATOM 1480 CA ILE A 176 3.832 -2.790 -11.975 1.00 20.14 C ATOM 1481 C ILE A 176 4.594 -3.495 -13.082 1.00 19.04 C ATOM 1482 O ILE A 176 4.068 -4.462 -13.712 1.00 21.24 O ATOM 1483 CB ILE A 176 3.152 -3.763 -11.100 1.00 18.78 C ATOM 1484 CG1 ILE A 176 2.231 -3.095 -10.121 1.00 18.01 C ATOM 1485 CG2 ILE A 176 4.193 -4.559 -10.288 1.00 18.53 C ATOM 1486 CD1 ILE A 176 2.865 -1.943 -9.275 1.00 19.21 C ATOM 1487 H ILE A 176 1.945 -2.213 -12.860 1.00 0.00 H ATOM 1488 N THR A 177 5.839 -3.030 -13.341 1.00 18.82 N ATOM 1489 CA THR A 177 6.685 -3.632 -14.354 1.00 19.16 C ATOM 1490 C THR A 177 7.303 -4.946 -13.799 1.00 18.05 C ATOM 1491 O THR A 177 7.168 -5.229 -12.584 1.00 16.47 O ATOM 1492 CB THR A 177 7.849 -2.678 -14.760 1.00 19.92 C ATOM 1493 OG1 THR A 177 8.769 -2.555 -13.619 1.00 21.23 O ATOM 1494 CG2 THR A 177 7.345 -1.260 -15.124 1.00 21.56 C ATOM 1495 HG1 THR A 177 9.515 -1.951 -13.862 1.00 0.00 H ATOM 1496 H THR A 177 6.199 -2.219 -12.799 1.00 0.00 H ATOM 1497 N GLU A 178 8.089 -5.663 -14.597 1.00 19.68 N ATOM 1498 CA GLU A 178 8.793 -6.819 -14.135 1.00 17.86 C ATOM 1499 C GLU A 178 9.874 -6.494 -13.089 1.00 14.43 C ATOM 1500 O GLU A 178 10.377 -7.369 -12.445 1.00 16.51 O ATOM 1501 CB GLU A 178 9.485 -7.510 -15.324 1.00 22.76 C ATOM 1502 CG GLU A 178 8.598 -8.060 -16.440 1.00 31.11 C ATOM 1503 CD GLU A 178 9.385 -8.931 -17.411 1.00 42.57 C ATOM 1504 OE1 GLU A 178 10.610 -8.551 -17.671 1.00 40.15 O ATOM 1505 OE2 GLU A 178 8.755 -9.958 -17.848 1.00 56.37 O ATOM 1506 H GLU A 178 8.195 -5.373 -15.590 1.00 0.00 H ATOM 1507 N ARG A 179 10.237 -5.235 -13.010 1.00 15.31 N ATOM 1508 CA ARG A 179 11.249 -4.764 -12.039 1.00 15.56 C ATOM 1509 C ARG A 179 10.732 -4.413 -10.603 1.00 12.65 C ATOM 1510 O ARG A 179 11.474 -4.057 -9.762 1.00 13.57 O ATOM 1511 CB ARG A 179 12.094 -3.579 -12.660 1.00 16.95 C ATOM 1512 CG ARG A 179 12.508 -3.872 -14.146 1.00 19.82 C ATOM 1513 CD ARG A 179 13.477 -2.866 -14.689 1.00 21.90 C ATOM 1514 NE ARG A 179 14.806 -3.217 -14.360 1.00 19.73 N ATOM 1515 CZ ARG A 179 15.860 -2.551 -14.731 1.00 21.50 C ATOM 1516 NH1 ARG A 179 15.811 -1.482 -15.548 1.00 22.91 N ATOM 1517 NH2 ARG A 179 17.059 -2.920 -14.362 1.00 20.50 N ATOM 1518 HE ARG A 179 14.952 -4.068 -13.780 1.00 0.00 H ATOM 1519 HH12 ARG A 179 16.688 -0.988 -15.811 1.00 0.00 H ATOM 1520 HH11 ARG A 179 14.897 -1.150 -15.916 1.00 0.00 H ATOM 1521 HH22 ARG A 179 17.889 -2.374 -14.669 1.00 0.00 H ATOM 1522 HH21 ARG A 179 17.183 -3.760 -13.761 1.00 0.00 H ATOM 1523 H ARG A 179 9.798 -4.545 -13.652 1.00 0.00 H ATOM 1524 N LEU A 180 9.391 -4.524 -10.477 1.00 12.52 N ATOM 1525 CA LEU A 180 8.651 -4.259 -9.247 1.00 12.29 C ATOM 1526 C LEU A 180 7.908 -5.489 -8.816 1.00 13.27 C ATOM 1527 O LEU A 180 7.571 -6.376 -9.615 1.00 14.04 O ATOM 1528 CB LEU A 180 7.603 -3.132 -9.492 1.00 14.37 C ATOM 1529 CG LEU A 180 8.259 -1.803 -9.824 1.00 15.04 C ATOM 1530 CD1 LEU A 180 7.207 -0.812 -10.334 1.00 21.77 C ATOM 1531 CD2 LEU A 180 8.875 -1.155 -8.697 1.00 16.14 C ATOM 1532 H LEU A 180 8.849 -4.819 -11.314 1.00 0.00 H ATOM 1533 N MET A 181 7.601 -5.515 -7.537 1.00 11.42 N ATOM 1534 CA MET A 181 6.734 -6.555 -6.979 1.00 11.01 C ATOM 1535 C MET A 181 5.760 -5.921 -6.004 1.00 9.91 C ATOM 1536 O MET A 181 5.985 -4.799 -5.503 1.00 11.91 O ATOM 1537 CB MET A 181 7.557 -7.686 -6.282 1.00 12.64 C ATOM 1538 CG MET A 181 8.340 -7.133 -5.073 1.00 11.86 C ATOM 1539 SD MET A 181 9.462 -8.378 -4.318 1.00 13.83 S ATOM 1540 CE MET A 181 8.317 -9.557 -3.665 1.00 15.28 C ATOM 1541 H MET A 181 7.983 -4.780 -6.908 1.00 0.00 H ATOM 1542 N CYS A 182 4.718 -6.674 -5.705 1.00 11.59 N ATOM 1543 CA CYS A 182 3.723 -6.227 -4.751 1.00 11.82 C ATOM 1544 C CYS A 182 3.590 -7.185 -3.562 1.00 11.81 C ATOM 1545 O CYS A 182 3.901 -8.356 -3.702 1.00 12.69 O ATOM 1546 CB CYS A 182 2.337 -6.146 -5.412 1.00 15.08 C ATOM 1547 SG CYS A 182 2.342 -4.948 -6.769 1.00 15.41 S ATOM 1548 H CYS A 182 4.609 -7.602 -6.161 1.00 0.00 H ATOM 1549 N ALA A 183 3.106 -6.606 -2.433 1.00 11.85 N ATOM 1550 CA ALA A 183 2.695 -7.435 -1.294 1.00 12.72 C ATOM 1551 C ALA A 183 1.326 -6.906 -0.896 1.00 12.22 C ATOM 1552 O ALA A 183 0.909 -5.776 -1.177 1.00 13.87 O ATOM 1553 CB ALA A 183 3.661 -7.340 -0.153 1.00 12.22 C ATOM 1554 H ALA A 183 3.026 -5.571 -2.375 1.00 0.00 H ATOM 1555 N GLU A 184 0.546 -7.834 -0.294 1.00 12.36 N ATOM 1556 CA GLU A 184 -0.779 -7.413 0.189 1.00 14.27 C ATOM 1557 C GLU A 184 -0.660 -6.250 1.196 1.00 14.83 C ATOM 1558 O GLU A 184 0.308 -6.102 1.901 1.00 15.32 O ATOM 1559 CB GLU A 184 -1.438 -8.663 0.853 1.00 14.02 C ATOM 1560 CG GLU A 184 -1.806 -9.781 -0.148 1.00 14.05 C ATOM 1561 CD GLU A 184 -2.673 -10.891 0.401 1.00 19.65 C ATOM 1562 OE1 GLU A 184 -3.226 -10.744 1.514 1.00 27.21 O ATOM 1563 OE2 GLU A 184 -2.675 -11.953 -0.216 1.00 17.88 O ATOM 1564 H GLU A 184 0.873 -8.814 -0.176 1.00 0.00 H ATOM 1565 N SER A 185 -1.773 -5.517 1.278 1.00 16.04 N ATOM 1566 CA SER A 185 -1.838 -4.266 1.985 1.00 17.50 C ATOM 1567 C SER A 185 -3.129 -4.228 2.772 1.00 21.66 C ATOM 1568 O SER A 185 -3.680 -3.157 3.006 1.00 26.23 O ATOM 1569 CB SER A 185 -1.811 -3.077 1.006 1.00 17.71 C ATOM 1570 OG SER A 185 -2.837 -3.320 0.060 1.00 18.41 O ATOM 1571 HG SER A 185 -2.861 -2.579 -0.596 1.00 0.00 H ATOM 1572 H SER A 185 -2.633 -5.867 0.809 1.00 0.00 H ATOM 1573 N ASN A 186 -3.612 -5.332 3.322 1.00 24.67 N ATOM 1574 CA ASN A 186 -4.917 -5.248 3.899 1.00 27.93 C ATOM 1575 C ASN A 186 -4.694 -4.920 5.335 1.00 28.96 C ATOM 1576 O ASN A 186 -4.404 -5.727 6.085 1.00 27.04 O ATOM 1577 CB ASN A 186 -5.617 -6.545 3.680 1.00 28.63 C ATOM 1578 CG ASN A 186 -6.976 -6.644 4.457 1.00 28.57 C ATOM 1579 OD1 ASN A 186 -7.262 -7.687 5.014 1.00 44.88 O ATOM 1580 ND2 ASN A 186 -7.661 -5.517 4.614 1.00 32.35 N ATOM 1581 HD22 ASN A 186 -7.368 -4.656 4.110 1.00 0.00 H ATOM 1582 HD21 ASN A 186 -8.491 -5.496 5.241 1.00 0.00 H ATOM 1583 H ASN A 186 -3.067 -6.218 3.333 1.00 0.00 H ATOM 1584 N ARG A 187 -4.802 -3.671 5.678 1.00 29.78 N ATOM 1585 CA ARG A 187 -4.480 -3.156 7.038 1.00 35.91 C ATOM 1586 C ARG A 187 -3.018 -3.185 7.428 1.00 33.00 C ATOM 1587 O ARG A 187 -2.497 -2.150 7.852 1.00 36.90 O ATOM 1588 CB ARG A 187 -5.353 -3.752 8.106 1.00 33.56 C ATOM 1589 CG ARG A 187 -6.841 -3.399 7.848 1.00 43.30 C ATOM 1590 CD ARG A 187 -7.821 -4.013 8.852 1.00 48.03 C ATOM 1591 NE ARG A 187 -7.328 -5.326 9.341 1.00 66.65 N ATOM 1592 CZ ARG A 187 -7.514 -6.520 8.768 1.00 51.93 C ATOM 1593 NH1 ARG A 187 -8.220 -6.681 7.630 1.00 67.80 N ATOM 1594 NH2 ARG A 187 -6.972 -7.579 9.337 1.00 57.73 N ATOM 1595 HE ARG A 187 -6.779 -5.316 10.224 1.00 0.00 H ATOM 1596 HH12 ARG A 187 -8.338 -7.630 7.221 1.00 0.00 H ATOM 1597 HH11 ARG A 187 -8.646 -5.856 7.161 1.00 0.00 H ATOM 1598 HH22 ARG A 187 -7.100 -8.520 8.913 1.00 0.00 H ATOM 1599 HH21 ARG A 187 -6.416 -7.473 10.210 1.00 0.00 H ATOM 1600 H ARG A 187 -5.132 -2.993 4.962 1.00 0.00 H ATOM 1601 N ARG A 188 -2.343 -4.346 7.251 1.00 28.45 N ATOM 1602 CA ARG A 188 -0.913 -4.494 7.498 1.00 23.74 C ATOM 1603 C ARG A 188 -0.196 -3.925 6.245 1.00 20.01 C ATOM 1604 O ARG A 188 -0.507 -4.357 5.124 1.00 19.25 O ATOM 1605 CB ARG A 188 -0.589 -5.985 7.800 1.00 26.43 C ATOM 1606 CG ARG A 188 -1.229 -6.700 9.012 1.00 29.27 C ATOM 1607 CD ARG A 188 -1.203 -8.223 8.757 1.00 38.28 C ATOM 1608 NE ARG A 188 -2.256 -8.872 9.564 1.00 58.03 N ATOM 1609 CZ ARG A 188 -2.068 -9.627 10.628 1.00 62.41 C ATOM 1610 NH1 ARG A 188 -0.845 -9.913 11.103 1.00 95.00 N ATOM 1611 NH2 ARG A 188 -3.134 -10.105 11.267 1.00 79.68 N ATOM 1612 HE ARG A 188 -3.240 -8.719 9.264 1.00 0.00 H ATOM 1613 HH12 ARG A 188 -0.742 -10.513 11.946 1.00 0.00 H ATOM 1614 HH11 ARG A 188 -0.001 -9.534 10.628 1.00 0.00 H ATOM 1615 HH22 ARG A 188 -3.011 -10.703 12.109 1.00 0.00 H ATOM 1616 HH21 ARG A 188 -4.090 -9.880 10.924 1.00 0.00 H ATOM 1617 H ARG A 188 -2.873 -5.177 6.921 1.00 0.00 H ATOM 1618 N ASP A 189 0.732 -2.991 6.387 1.00 21.41 N ATOM 1619 CA ASP A 189 1.287 -2.291 5.180 1.00 18.13 C ATOM 1620 C ASP A 189 2.512 -1.453 5.544 1.00 15.11 C ATOM 1621 O ASP A 189 2.734 -1.170 6.702 1.00 20.55 O ATOM 1622 CB ASP A 189 0.266 -1.413 4.475 1.00 18.35 C ATOM 1623 CG ASP A 189 0.495 -1.180 3.070 1.00 17.21 C ATOM 1624 OD1 ASP A 189 1.503 -1.734 2.487 1.00 15.22 O ATOM 1625 OD2 ASP A 189 -0.272 -0.315 2.510 1.00 17.53 O ATOM 1626 H ASP A 189 1.077 -2.742 7.336 1.00 0.00 H ATOM 1627 N SER A 190 3.358 -1.292 4.548 1.00 15.16 N ATOM 1628 CA SER A 190 4.321 -0.182 4.618 1.00 14.70 C ATOM 1629 C SER A 190 3.623 1.146 4.450 1.00 16.65 C ATOM 1630 O SER A 190 2.572 1.242 3.819 1.00 17.33 O ATOM 1631 CB SER A 190 5.411 -0.431 3.562 1.00 15.37 C ATOM 1632 OG SER A 190 4.888 -0.717 2.250 1.00 17.75 O ATOM 1633 HG SER A 190 4.324 -1.529 2.291 1.00 0.00 H ATOM 1634 H SER A 190 3.346 -1.935 3.731 1.00 0.00 H ATOM 1635 N CYS A 191 4.250 2.181 4.959 1.00 14.24 N ATOM 1636 CA CYS A 191 3.708 3.545 4.787 1.00 14.72 C ATOM 1637 C CYS A 191 4.767 4.564 4.863 1.00 12.48 C ATOM 1638 O CYS A 191 6.001 4.261 4.709 1.00 13.31 O ATOM 1639 CB CYS A 191 2.493 3.857 5.751 1.00 11.08 C ATOM 1640 SG CYS A 191 1.414 5.248 5.394 1.00 13.38 S ATOM 1641 H CYS A 191 5.135 2.040 5.487 1.00 0.00 H ATOM 1642 N LYS A 192 4.443 5.797 4.987 1.00 15.12 N ATOM 1643 CA LYS A 192 5.362 6.926 5.002 1.00 12.80 C ATOM 1644 C LYS A 192 6.439 6.677 6.005 1.00 11.36 C ATOM 1645 O LYS A 192 6.234 6.366 7.162 1.00 12.73 O ATOM 1646 CB LYS A 192 4.633 8.256 5.404 1.00 16.14 C ATOM 1647 CG LYS A 192 5.512 9.511 5.372 1.00 15.39 C ATOM 1648 CD LYS A 192 4.637 10.720 5.604 1.00 20.61 C ATOM 1649 CE LYS A 192 5.486 12.010 5.885 1.00 22.23 C ATOM 1650 NZ LYS A 192 6.158 12.546 4.597 1.00 23.74 N ATOM 1651 HZ1 LYS A 192 6.789 11.817 4.207 1.00 0.00 H ATOM 1652 HZ2 LYS A 192 5.425 12.782 3.898 1.00 0.00 H ATOM 1653 HZ3 LYS A 192 6.709 13.398 4.824 1.00 0.00 H ATOM 1654 H LYS A 192 3.430 6.011 5.086 1.00 0.00 H ATOM 1655 N GLY A 193 7.687 6.906 5.517 1.00 10.25 N ATOM 1656 CA GLY A 193 8.869 6.659 6.354 1.00 9.26 C ATOM 1657 C GLY A 193 9.402 5.268 6.344 1.00 9.14 C ATOM 1658 O GLY A 193 10.504 5.037 6.891 1.00 9.33 O ATOM 1659 H GLY A 193 7.806 7.258 4.546 1.00 0.00 H ATOM 1660 N ASP A 194 8.648 4.325 5.739 1.00 9.30 N ATOM 1661 CA ASP A 194 9.171 2.963 5.557 1.00 8.33 C ATOM 1662 C ASP A 194 9.887 2.837 4.172 1.00 8.27 C ATOM 1663 O ASP A 194 10.583 1.855 3.954 1.00 8.40 O ATOM 1664 CB ASP A 194 8.063 1.961 5.612 1.00 9.17 C ATOM 1665 CG ASP A 194 7.442 1.936 7.001 1.00 10.53 C ATOM 1666 OD1 ASP A 194 8.180 2.038 7.998 1.00 11.11 O ATOM 1667 OD2 ASP A 194 6.180 1.823 7.090 1.00 13.57 O ATOM 1668 H ASP A 194 7.694 4.563 5.401 1.00 0.00 H ATOM 1669 N SER A 195 9.669 3.820 3.296 1.00 8.44 N ATOM 1670 CA SER A 195 10.388 3.938 1.999 1.00 8.00 C ATOM 1671 C SER A 195 11.831 3.635 2.198 1.00 8.01 C ATOM 1672 O SER A 195 12.473 4.200 3.102 1.00 8.11 O ATOM 1673 CB SER A 195 10.195 5.376 1.519 1.00 10.28 C ATOM 1674 OG SER A 195 10.417 6.328 2.542 1.00 10.62 O ATOM 1675 HG SER A 195 11.345 6.241 2.876 1.00 0.00 H ATOM 1676 H SER A 195 8.959 4.542 3.533 1.00 0.00 H ATOM 1677 N GLY A 196 12.392 2.853 1.274 1.00 6.92 N ATOM 1678 CA GLY A 196 13.834 2.559 1.326 1.00 6.83 C ATOM 1679 C GLY A 196 14.189 1.361 2.116 1.00 7.09 C ATOM 1680 O GLY A 196 15.282 0.825 2.046 1.00 7.12 O ATOM 1681 H GLY A 196 11.808 2.449 0.514 1.00 0.00 H ATOM 1682 N GLY A 197 13.241 0.844 2.982 1.00 7.12 N ATOM 1683 CA GLY A 197 13.524 -0.300 3.814 1.00 7.84 C ATOM 1684 C GLY A 197 13.320 -1.608 3.109 1.00 7.58 C ATOM 1685 O GLY A 197 12.908 -1.689 1.947 1.00 7.44 O ATOM 1686 H GLY A 197 12.303 1.291 3.034 1.00 0.00 H ATOM 1687 N PRO A 198 13.719 -2.674 3.785 1.00 7.97 N ATOM 1688 CA PRO A 198 13.804 -3.982 3.182 1.00 9.04 C ATOM 1689 C PRO A 198 12.522 -4.792 3.202 1.00 9.31 C ATOM 1690 O PRO A 198 11.840 -4.810 4.225 1.00 13.90 O ATOM 1691 CB PRO A 198 14.873 -4.680 4.097 1.00 13.85 C ATOM 1692 CG PRO A 198 14.698 -4.041 5.461 1.00 14.88 C ATOM 1693 CD PRO A 198 14.226 -2.632 5.177 1.00 12.10 C ATOM 1694 N LEU A 199 12.269 -5.490 2.119 1.00 8.35 N ATOM 1695 CA LEU A 199 11.301 -6.617 2.059 1.00 8.81 C ATOM 1696 C LEU A 199 12.107 -7.872 1.977 1.00 8.17 C ATOM 1697 O LEU A 199 12.797 -8.070 0.967 1.00 9.69 O ATOM 1698 CB LEU A 199 10.334 -6.418 0.924 1.00 10.05 C ATOM 1699 CG LEU A 199 9.228 -7.519 0.814 1.00 12.90 C ATOM 1700 CD1 LEU A 199 8.310 -7.441 2.016 1.00 19.33 C ATOM 1701 CD2 LEU A 199 8.344 -7.301 -0.297 1.00 22.97 C ATOM 1702 H LEU A 199 12.778 -5.239 1.248 1.00 0.00 H ATOM 1703 N VAL A 200 12.083 -8.705 3.012 1.00 9.15 N ATOM 1704 CA VAL A 200 12.993 -9.835 3.179 1.00 9.34 C ATOM 1705 C VAL A 200 12.179 -11.112 3.083 1.00 11.04 C ATOM 1706 O VAL A 200 11.111 -11.241 3.749 1.00 12.37 O ATOM 1707 CB VAL A 200 13.715 -9.782 4.487 1.00 11.16 C ATOM 1708 CG1 VAL A 200 14.681 -10.974 4.697 1.00 13.45 C ATOM 1709 CG2 VAL A 200 14.463 -8.409 4.640 1.00 12.26 C ATOM 1710 H VAL A 200 11.370 -8.542 3.751 1.00 0.00 H ATOM 1711 N CYS A 201 12.565 -12.025 2.204 1.00 10.96 N ATOM 1712 CA CYS A 201 11.854 -13.289 2.018 1.00 14.14 C ATOM 1713 C CYS A 201 12.885 -14.423 2.088 1.00 16.37 C ATOM 1714 O CYS A 201 13.866 -14.405 1.411 1.00 16.43 O ATOM 1715 CB CYS A 201 11.158 -13.329 0.665 1.00 14.30 C ATOM 1716 SG CYS A 201 10.246 -11.842 0.143 1.00 14.76 S ATOM 1717 H CYS A 201 13.407 -11.835 1.624 1.00 0.00 H ATOM 1718 N GLY A 202 12.590 -15.425 2.897 1.00 23.15 N ATOM 1719 CA GLY A 202 13.537 -16.532 2.917 1.00 25.03 C ATOM 1720 C GLY A 202 14.913 -16.160 3.428 1.00 21.51 C ATOM 1721 O GLY A 202 15.912 -16.751 3.023 1.00 26.27 O ATOM 1722 H GLY A 202 11.732 -15.424 3.485 1.00 0.00 H ATOM 1723 N GLY A 207 15.055 -14.993 4.323 1.00 18.30 N ATOM 1724 CA GLY A 207 16.259 -14.527 4.800 1.00 18.37 C ATOM 1725 C GLY A 207 17.144 -13.828 3.779 1.00 14.83 C ATOM 1726 O GLY A 207 18.291 -13.542 4.063 1.00 17.89 O ATOM 1727 H GLY A 207 14.190 -14.492 4.611 1.00 0.00 H ATOM 1728 N VAL A 208 16.575 -13.468 2.630 1.00 12.51 N ATOM 1729 CA VAL A 208 17.342 -12.745 1.611 1.00 11.03 C ATOM 1730 C VAL A 208 16.538 -11.502 1.232 1.00 10.65 C ATOM 1731 O VAL A 208 15.308 -11.539 1.164 1.00 12.12 O ATOM 1732 CB VAL A 208 17.526 -13.685 0.367 1.00 13.86 C ATOM 1733 CG1 VAL A 208 18.203 -13.044 -0.814 1.00 15.50 C ATOM 1734 CG2 VAL A 208 18.340 -14.906 0.759 1.00 16.55 C ATOM 1735 H VAL A 208 15.577 -13.702 2.454 1.00 0.00 H ATOM 1736 N LEU A 209 17.244 -10.411 1.010 1.00 9.54 N ATOM 1737 CA LEU A 209 16.634 -9.238 0.532 1.00 8.75 C ATOM 1738 C LEU A 209 16.015 -9.415 -0.848 1.00 9.55 C ATOM 1739 O LEU A 209 16.746 -9.768 -1.806 1.00 10.93 O ATOM 1740 CB LEU A 209 17.605 -8.120 0.458 1.00 9.75 C ATOM 1741 CG LEU A 209 17.048 -6.723 0.052 1.00 10.41 C ATOM 1742 CD1 LEU A 209 16.081 -6.194 1.118 1.00 11.13 C ATOM 1743 CD2 LEU A 209 18.171 -5.745 -0.148 1.00 9.82 C ATOM 1744 H LEU A 209 18.268 -10.418 1.191 1.00 0.00 H ATOM 1745 N GLU A 210 14.717 -9.184 -0.971 1.00 10.40 N ATOM 1746 CA GLU A 210 14.001 -9.277 -2.272 1.00 10.41 C ATOM 1747 C GLU A 210 13.606 -7.958 -2.804 1.00 9.79 C ATOM 1748 O GLU A 210 13.630 -7.750 -4.018 1.00 12.35 O ATOM 1749 CB GLU A 210 12.807 -10.183 -2.086 1.00 13.25 C ATOM 1750 CG GLU A 210 13.250 -11.664 -2.096 1.00 16.14 C ATOM 1751 CD GLU A 210 13.679 -12.319 -3.420 1.00 14.87 C ATOM 1752 OE1 GLU A 210 13.598 -11.700 -4.490 1.00 24.99 O ATOM 1753 OE2 GLU A 210 14.162 -13.350 -3.289 1.00 20.85 O ATOM 1754 H GLU A 210 14.175 -8.927 -0.122 1.00 0.00 H ATOM 1755 N GLY A 211 13.123 -7.063 -1.924 1.00 9.78 N ATOM 1756 CA GLY A 211 12.556 -5.795 -2.350 1.00 9.36 C ATOM 1757 C GLY A 211 12.971 -4.631 -1.525 1.00 8.92 C ATOM 1758 O GLY A 211 13.398 -4.816 -0.357 1.00 9.31 O ATOM 1759 H GLY A 211 13.156 -7.285 -0.909 1.00 0.00 H ATOM 1760 N VAL A 212 12.776 -3.437 -2.066 1.00 8.03 N ATOM 1761 CA VAL A 212 13.019 -2.201 -1.318 1.00 7.70 C ATOM 1762 C VAL A 212 11.740 -1.365 -1.430 1.00 7.18 C ATOM 1763 O VAL A 212 11.194 -1.133 -2.522 1.00 8.62 O ATOM 1764 CB VAL A 212 14.212 -1.350 -1.943 1.00 8.57 C ATOM 1765 CG1 VAL A 212 14.344 -0.023 -1.277 1.00 9.03 C ATOM 1766 CG2 VAL A 212 15.491 -2.166 -1.742 1.00 9.20 C ATOM 1767 H VAL A 212 12.441 -3.376 -3.049 1.00 0.00 H ATOM 1768 N VAL A 213 11.218 -0.950 -0.247 1.00 7.58 N ATOM 1769 CA VAL A 213 9.995 -0.134 -0.254 1.00 7.48 C ATOM 1770 C VAL A 213 10.128 1.079 -1.153 1.00 8.40 C ATOM 1771 O VAL A 213 11.108 1.815 -1.030 1.00 8.12 O ATOM 1772 CB VAL A 213 9.639 0.274 1.188 1.00 9.20 C ATOM 1773 CG1 VAL A 213 8.270 1.017 1.225 1.00 10.24 C ATOM 1774 CG2 VAL A 213 9.587 -0.914 2.164 1.00 9.21 C ATOM 1775 H VAL A 213 11.677 -1.206 0.651 1.00 0.00 H ATOM 1776 N THR A 214 9.146 1.314 -2.000 1.00 8.50 N ATOM 1777 CA THR A 214 9.176 2.446 -2.911 1.00 9.72 C ATOM 1778 C THR A 214 8.961 3.805 -2.198 1.00 11.41 C ATOM 1779 O THR A 214 8.469 3.832 -1.056 1.00 12.41 O ATOM 1780 CB THR A 214 8.175 2.286 -4.034 1.00 10.56 C ATOM 1781 OG1 THR A 214 6.861 2.042 -3.478 1.00 12.19 O ATOM 1782 CG2 THR A 214 8.552 1.213 -4.994 1.00 11.76 C ATOM 1783 HG1 THR A 214 6.882 1.215 -2.934 1.00 0.00 H ATOM 1784 H THR A 214 8.328 0.672 -2.017 1.00 0.00 H ATOM 1785 N SER A 215 9.371 4.872 -2.865 1.00 12.85 N ATOM 1786 CA SER A 215 9.311 6.206 -2.371 1.00 15.90 C ATOM 1787 C SER A 215 7.997 6.951 -2.570 1.00 15.69 C ATOM 1788 O SER A 215 7.773 7.939 -1.942 1.00 16.19 O ATOM 1789 CB SER A 215 10.657 6.954 -2.512 1.00 22.64 C ATOM 1790 OG SER A 215 11.697 6.803 -3.420 1.00 15.16 O ATOM 1791 HG SER A 215 12.060 5.884 -3.355 1.00 0.00 H ATOM 1792 H SER A 215 9.765 4.726 -3.817 1.00 0.00 H ATOM 1793 N GLY A 216 7.200 6.486 -3.539 1.00 17.74 N ATOM 1794 CA GLY A 216 6.113 7.263 -3.932 1.00 19.14 C ATOM 1795 C GLY A 216 5.043 7.262 -2.946 1.00 18.89 C ATOM 1796 O GLY A 216 4.734 6.306 -2.245 1.00 19.34 O ATOM 1797 H GLY A 216 7.388 5.567 -3.988 1.00 0.00 H ATOM 1798 N SER A 217 4.434 8.445 -2.797 1.00 18.73 N ATOM 1799 CA SER A 217 3.364 8.512 -1.884 1.00 15.74 C ATOM 1800 C SER A 217 2.251 7.680 -2.475 1.00 19.92 C ATOM 1801 O SER A 217 2.073 7.558 -3.706 1.00 23.03 O ATOM 1802 CB SER A 217 2.819 9.970 -1.688 1.00 17.48 C ATOM 1803 OG SER A 217 3.815 10.776 -1.084 1.00 16.01 O ATOM 1804 HG SER A 217 4.616 10.800 -1.666 1.00 0.00 H ATOM 1805 H SER A 217 4.739 9.281 -3.334 1.00 0.00 H ATOM 1806 N ARG A 218 1.572 6.997 -1.612 1.00 18.03 N ATOM 1807 CA ARG A 218 0.615 6.031 -2.050 1.00 21.01 C ATOM 1808 C ARG A 218 -0.257 5.822 -0.827 1.00 14.51 C ATOM 1809 O ARG A 218 0.112 5.983 0.338 1.00 23.71 O ATOM 1810 CB ARG A 218 1.238 4.684 -2.401 1.00 17.25 C ATOM 1811 CG ARG A 218 2.214 4.154 -1.420 1.00 19.87 C ATOM 1812 CD ARG A 218 2.619 2.693 -1.663 1.00 19.74 C ATOM 1813 NE ARG A 218 1.607 1.655 -1.395 1.00 17.88 N ATOM 1814 CZ ARG A 218 1.287 1.113 -0.203 1.00 14.88 C ATOM 1815 NH1 ARG A 218 1.965 1.250 0.921 1.00 18.73 N ATOM 1816 NH2 ARG A 218 0.248 0.253 -0.096 1.00 16.83 N ATOM 1817 HE ARG A 218 1.080 1.301 -2.219 1.00 0.00 H ATOM 1818 HH12 ARG A 218 1.630 0.787 1.790 1.00 0.00 H ATOM 1819 HH11 ARG A 218 2.834 1.820 0.938 1.00 0.00 H ATOM 1820 HH22 ARG A 218 0.008 -0.160 0.828 1.00 0.00 H ATOM 1821 HH21 ARG A 218 -0.311 0.005 -0.937 1.00 0.00 H ATOM 1822 H ARG A 218 1.723 7.152 -0.595 1.00 0.00 H ATOM 1823 N VAL A 219 -1.494 5.475 -1.115 1.00 17.45 N ATOM 1824 CA VAL A 219 -2.294 5.208 0.120 1.00 13.79 C ATOM 1825 C VAL A 219 -1.895 3.921 0.880 1.00 18.48 C ATOM 1826 O VAL A 219 -1.421 2.965 0.324 1.00 17.95 O ATOM 1827 CB VAL A 219 -3.842 5.076 -0.328 1.00 19.82 C ATOM 1828 CG1 VAL A 219 -4.071 3.842 -1.301 1.00 19.32 C ATOM 1829 CG2 VAL A 219 -4.709 5.059 0.932 1.00 19.92 C ATOM 1830 H VAL A 219 -1.869 5.396 -2.082 1.00 0.00 H ATOM 1831 N CYS A 220 -1.996 3.998 2.196 1.00 15.67 N ATOM 1832 CA CYS A 220 -1.528 2.993 3.161 1.00 19.11 C ATOM 1833 C CYS A 220 -2.606 2.209 3.762 1.00 20.89 C ATOM 1834 O CYS A 220 -3.590 2.738 4.284 1.00 21.46 O ATOM 1835 CB CYS A 220 -0.490 3.382 4.154 1.00 14.69 C ATOM 1836 SG CYS A 220 0.588 4.726 3.602 1.00 13.44 S ATOM 1837 H CYS A 220 -2.449 4.850 2.585 1.00 0.00 H ATOM 1838 N GLY A 221 -2.506 0.863 3.688 1.00 21.78 N ATOM 1839 CA GLY A 221 -3.327 -0.071 4.338 1.00 20.77 C ATOM 1840 C GLY A 221 -4.731 -0.474 3.683 1.00 18.95 C ATOM 1841 O GLY A 221 -5.608 -1.006 4.367 1.00 27.89 O ATOM 1842 H GLY A 221 -1.745 0.482 3.090 1.00 0.00 H ATOM 1843 N ASN A 222 -4.924 -0.020 2.485 1.00 18.99 N ATOM 1844 CA ASN A 222 -6.043 -0.263 1.739 1.00 22.53 C ATOM 1845 C ASN A 222 -5.729 -1.555 0.981 1.00 26.03 C ATOM 1846 O ASN A 222 -4.931 -1.514 -0.010 1.00 21.40 O ATOM 1847 CB ASN A 222 -6.353 0.947 0.763 1.00 23.72 C ATOM 1848 CG ASN A 222 -7.533 0.722 -0.146 1.00 29.21 C ATOM 1849 OD1 ASN A 222 -8.046 -0.380 -0.183 1.00 28.47 O ATOM 1850 ND2 ASN A 222 -8.006 1.810 -0.876 1.00 34.86 N ATOM 1851 HD22 ASN A 222 -7.527 2.731 -0.806 1.00 0.00 H ATOM 1852 HD21 ASN A 222 -8.838 1.702 -1.491 1.00 0.00 H ATOM 1853 H ASN A 222 -4.178 0.569 2.063 1.00 0.00 H ATOM 1854 N ARG A 223 -6.497 -2.605 1.244 1.00 23.51 N ATOM 1855 CA ARG A 223 -6.232 -3.861 0.510 1.00 22.27 C ATOM 1856 C ARG A 223 -6.306 -3.717 -1.018 1.00 20.40 C ATOM 1857 O ARG A 223 -5.702 -4.481 -1.788 1.00 23.64 O ATOM 1858 CB ARG A 223 -7.216 -4.939 0.996 1.00 24.21 C ATOM 1859 CG ARG A 223 -8.660 -4.731 0.648 1.00 28.13 C ATOM 1860 CD ARG A 223 -9.648 -5.603 1.351 1.00 40.78 C ATOM 1861 NE ARG A 223 -10.956 -4.957 1.236 1.00 53.20 N ATOM 1862 CZ ARG A 223 -11.624 -4.683 0.095 1.00 58.79 C ATOM 1863 NH1 ARG A 223 -11.171 -5.034 -1.142 1.00 64.88 N ATOM 1864 NH2 ARG A 223 -12.802 -4.074 0.210 1.00 75.65 N ATOM 1865 HE ARG A 223 -11.419 -4.680 2.125 1.00 0.00 H ATOM 1866 HH12 ARG A 223 -11.729 -4.796 -1.987 1.00 0.00 H ATOM 1867 HH11 ARG A 223 -10.267 -5.539 -1.241 1.00 0.00 H ATOM 1868 HH22 ARG A 223 -13.353 -3.843 -0.641 1.00 0.00 H ATOM 1869 HH21 ARG A 223 -13.171 -3.830 1.151 1.00 0.00 H ATOM 1870 H ARG A 223 -7.262 -2.546 1.946 1.00 0.00 H ATOM 1871 N LYS A 223A -7.125 -2.777 -1.489 1.00 20.16 N ATOM 1872 CA LYS A 223A -7.187 -2.517 -2.915 1.00 24.78 C ATOM 1873 C LYS A 223A -6.038 -1.801 -3.561 1.00 23.17 C ATOM 1874 O LYS A 223A -5.972 -1.664 -4.799 1.00 23.76 O ATOM 1875 CB LYS A 223A -8.566 -1.858 -3.342 1.00 28.08 C ATOM 1876 CG LYS A 223A -9.703 -2.932 -3.174 1.00 33.84 C ATOM 1877 CD LYS A 223A -9.764 -3.910 -4.386 1.00 48.66 C ATOM 1878 CE LYS A 223A -11.046 -4.773 -4.531 1.00 56.79 C ATOM 1879 NZ LYS A 223A -10.890 -6.109 -5.247 1.00 46.94 N ATOM 1880 HZ1 LYS A 223A -10.547 -5.944 -6.215 1.00 0.00 H ATOM 1881 HZ2 LYS A 223A -10.206 -6.699 -4.732 1.00 0.00 H ATOM 1882 HZ3 LYS A 223A -11.810 -6.592 -5.282 1.00 0.00 H ATOM 1883 H LYS A 223A -7.720 -2.230 -0.834 1.00 0.00 H ATOM 1884 N LYS A 224 -5.124 -1.324 -2.735 1.00 21.95 N ATOM 1885 CA LYS A 224 -3.957 -0.610 -3.232 1.00 20.23 C ATOM 1886 C LYS A 224 -2.670 -1.189 -2.646 1.00 19.80 C ATOM 1887 O LYS A 224 -2.152 -0.738 -1.613 1.00 19.30 O ATOM 1888 CB LYS A 224 -4.052 0.918 -3.032 1.00 22.25 C ATOM 1889 CG LYS A 224 -5.163 1.578 -3.795 1.00 25.66 C ATOM 1890 CD LYS A 224 -4.967 1.677 -5.290 1.00 29.06 C ATOM 1891 CE LYS A 224 -6.010 2.569 -5.909 1.00 39.19 C ATOM 1892 NZ LYS A 224 -6.256 2.026 -7.179 1.00 33.69 N ATOM 1893 HZ1 LYS A 224 -5.375 2.028 -7.732 1.00 0.00 H ATOM 1894 HZ2 LYS A 224 -6.600 1.050 -7.077 1.00 0.00 H ATOM 1895 HZ3 LYS A 224 -6.974 2.599 -7.667 1.00 0.00 H ATOM 1896 H LYS A 224 -5.240 -1.461 -1.711 1.00 0.00 H ATOM 1897 N PRO A 225 -2.193 -2.313 -3.241 1.00 16.71 N ATOM 1898 CA PRO A 225 -1.105 -3.096 -2.613 1.00 15.27 C ATOM 1899 C PRO A 225 0.206 -2.290 -2.432 1.00 13.63 C ATOM 1900 O PRO A 225 0.425 -1.297 -3.121 1.00 15.43 O ATOM 1901 CB PRO A 225 -0.829 -4.197 -3.699 1.00 14.96 C ATOM 1902 CG PRO A 225 -2.269 -4.404 -4.231 1.00 16.85 C ATOM 1903 CD PRO A 225 -2.770 -3.003 -4.376 1.00 19.97 C ATOM 1904 N GLY A 226 1.013 -2.763 -1.537 1.00 12.26 N ATOM 1905 CA GLY A 226 2.343 -2.197 -1.417 1.00 12.24 C ATOM 1906 C GLY A 226 3.195 -2.537 -2.604 1.00 10.52 C ATOM 1907 O GLY A 226 3.075 -3.602 -3.162 1.00 12.26 O ATOM 1908 H GLY A 226 0.712 -3.538 -0.913 1.00 0.00 H ATOM 1909 N ILE A 227 4.074 -1.615 -2.913 1.00 10.79 N ATOM 1910 CA ILE A 227 4.982 -1.707 -4.066 1.00 11.59 C ATOM 1911 C ILE A 227 6.402 -1.666 -3.605 1.00 10.56 C ATOM 1912 O ILE A 227 6.781 -0.805 -2.815 1.00 11.93 O ATOM 1913 CB ILE A 227 4.688 -0.611 -5.110 1.00 13.15 C ATOM 1914 CG1 ILE A 227 3.186 -0.484 -5.451 1.00 15.40 C ATOM 1915 CG2 ILE A 227 5.551 -0.794 -6.377 1.00 14.95 C ATOM 1916 CD1 ILE A 227 2.889 0.702 -6.365 1.00 18.42 C ATOM 1917 H ILE A 227 4.133 -0.771 -2.309 1.00 0.00 H ATOM 1918 N TYR A 228 7.223 -2.592 -4.113 1.00 9.64 N ATOM 1919 CA TYR A 228 8.588 -2.789 -3.708 1.00 9.61 C ATOM 1920 C TYR A 228 9.422 -3.019 -4.932 1.00 10.16 C ATOM 1921 O TYR A 228 9.084 -3.755 -5.837 1.00 11.10 O ATOM 1922 CB TYR A 228 8.708 -3.981 -2.748 1.00 10.79 C ATOM 1923 CG TYR A 228 7.737 -3.925 -1.610 1.00 10.59 C ATOM 1924 CD1 TYR A 228 6.411 -4.323 -1.774 1.00 9.67 C ATOM 1925 CD2 TYR A 228 8.125 -3.451 -0.361 1.00 11.24 C ATOM 1926 CE1 TYR A 228 5.491 -4.258 -0.736 1.00 10.34 C ATOM 1927 CE2 TYR A 228 7.169 -3.337 0.649 1.00 10.81 C ATOM 1928 CZ TYR A 228 5.857 -3.713 0.429 1.00 10.83 C ATOM 1929 OH TYR A 228 4.984 -3.587 1.530 1.00 12.66 O ATOM 1930 HH TYR A 228 4.076 -3.881 1.265 1.00 0.00 H ATOM 1931 H TYR A 228 6.846 -3.215 -4.855 1.00 0.00 H ATOM 1932 N THR A 229 10.606 -2.375 -4.977 1.00 8.59 N ATOM 1933 CA THR A 229 11.505 -2.552 -6.146 1.00 8.50 C ATOM 1934 C THR A 229 12.267 -3.841 -5.997 1.00 8.64 C ATOM 1935 O THR A 229 12.807 -4.116 -4.896 1.00 9.35 O ATOM 1936 CB THR A 229 12.504 -1.337 -6.224 1.00 9.34 C ATOM 1937 OG1 THR A 229 11.737 -0.163 -6.348 1.00 10.32 O ATOM 1938 CG2 THR A 229 13.420 -1.503 -7.405 1.00 10.26 C ATOM 1939 HG1 THR A 229 11.189 -0.214 -7.171 1.00 0.00 H ATOM 1940 H THR A 229 10.890 -1.754 -4.193 1.00 0.00 H ATOM 1941 N ARG A 230 12.316 -4.674 -7.051 1.00 9.54 N ATOM 1942 CA ARG A 230 13.010 -5.948 -6.985 1.00 9.20 C ATOM 1943 C ARG A 230 14.499 -5.733 -7.111 1.00 9.66 C ATOM 1944 O ARG A 230 14.992 -5.398 -8.217 1.00 11.34 O ATOM 1945 CB ARG A 230 12.484 -6.855 -8.075 1.00 11.04 C ATOM 1946 CG ARG A 230 11.000 -7.251 -7.916 1.00 11.72 C ATOM 1947 CD ARG A 230 10.491 -8.179 -9.009 1.00 12.67 C ATOM 1948 NE ARG A 230 11.234 -9.381 -9.077 1.00 13.90 N ATOM 1949 CZ ARG A 230 12.196 -9.661 -9.982 1.00 15.28 C ATOM 1950 NH1 ARG A 230 12.325 -8.913 -11.106 1.00 14.69 N ATOM 1951 NH2 ARG A 230 12.991 -10.702 -9.782 1.00 16.48 N ATOM 1952 HE ARG A 230 11.021 -10.112 -8.369 1.00 0.00 H ATOM 1953 HH12 ARG A 230 13.069 -9.137 -11.797 1.00 0.00 H ATOM 1954 HH11 ARG A 230 11.680 -8.116 -11.277 1.00 0.00 H ATOM 1955 HH22 ARG A 230 13.736 -10.928 -10.472 1.00 0.00 H ATOM 1956 HH21 ARG A 230 12.870 -11.293 -8.935 1.00 0.00 H ATOM 1957 H ARG A 230 11.845 -4.399 -7.936 1.00 0.00 H ATOM 1958 N VAL A 231 15.269 -6.093 -6.098 1.00 9.53 N ATOM 1959 CA VAL A 231 16.690 -5.871 -6.122 1.00 9.92 C ATOM 1960 C VAL A 231 17.345 -6.739 -7.222 1.00 11.46 C ATOM 1961 O VAL A 231 18.332 -6.294 -7.818 1.00 11.91 O ATOM 1962 CB VAL A 231 17.361 -6.036 -4.739 1.00 10.36 C ATOM 1963 CG1 VAL A 231 16.834 -5.027 -3.791 1.00 11.51 C ATOM 1964 CG2 VAL A 231 17.254 -7.442 -4.223 1.00 11.37 C ATOM 1965 H VAL A 231 14.838 -6.546 -5.267 1.00 0.00 H ATOM 1966 N ALA A 232 16.858 -7.943 -7.448 1.00 11.96 N ATOM 1967 CA ALA A 232 17.502 -8.772 -8.492 1.00 11.88 C ATOM 1968 C ALA A 232 17.519 -8.113 -9.843 1.00 13.76 C ATOM 1969 O ALA A 232 18.348 -8.387 -10.695 1.00 16.13 O ATOM 1970 CB ALA A 232 16.876 -10.088 -8.530 1.00 12.89 C ATOM 1971 H ALA A 232 16.044 -8.300 -6.908 1.00 0.00 H ATOM 1972 N SER A 233 16.493 -7.347 -10.104 1.00 11.87 N ATOM 1973 CA SER A 233 16.346 -6.636 -11.393 1.00 13.14 C ATOM 1974 C SER A 233 17.433 -5.541 -11.589 1.00 12.83 C ATOM 1975 O SER A 233 17.708 -5.130 -12.717 1.00 15.04 O ATOM 1976 CB SER A 233 14.994 -6.016 -11.471 1.00 13.93 C ATOM 1977 OG SER A 233 14.673 -5.656 -12.783 1.00 17.30 O ATOM 1978 HG SER A 233 14.683 -6.462 -13.357 1.00 0.00 H ATOM 1979 H SER A 233 15.754 -7.233 -9.381 1.00 0.00 H ATOM 1980 N TYR A 234 18.107 -5.189 -10.521 1.00 11.63 N ATOM 1981 CA TYR A 234 19.122 -4.133 -10.538 1.00 12.82 C ATOM 1982 C TYR A 234 20.434 -4.643 -10.066 1.00 12.49 C ATOM 1983 O TYR A 234 21.319 -3.836 -9.669 1.00 12.18 O ATOM 1984 CB TYR A 234 18.647 -2.958 -9.629 1.00 11.41 C ATOM 1985 CG TYR A 234 17.467 -2.295 -10.225 1.00 12.18 C ATOM 1986 CD1 TYR A 234 17.628 -1.327 -11.166 1.00 13.32 C ATOM 1987 CD2 TYR A 234 16.153 -2.705 -9.903 1.00 12.06 C ATOM 1988 CE1 TYR A 234 16.587 -0.700 -11.816 1.00 14.18 C ATOM 1989 CE2 TYR A 234 15.048 -2.100 -10.574 1.00 13.16 C ATOM 1990 CZ TYR A 234 15.253 -1.065 -11.460 1.00 15.04 C ATOM 1991 OH TYR A 234 14.222 -0.498 -12.176 1.00 17.69 O ATOM 1992 HH TYR A 234 14.579 0.224 -12.751 1.00 0.00 H ATOM 1993 H TYR A 234 17.913 -5.680 -9.625 1.00 0.00 H ATOM 1994 N ALA A 235 20.661 -5.969 -10.168 1.00 13.78 N ATOM 1995 CA ALA A 235 21.955 -6.548 -9.677 1.00 16.20 C ATOM 1996 C ALA A 235 23.171 -5.909 -10.280 1.00 20.02 C ATOM 1997 O ALA A 235 24.143 -5.649 -9.544 1.00 20.24 O ATOM 1998 CB ALA A 235 21.898 -8.067 -9.737 1.00 18.05 C ATOM 1999 H ALA A 235 19.939 -6.590 -10.587 1.00 0.00 H ATOM 2000 N ALA A 236 23.166 -5.707 -11.593 1.00 19.05 N ATOM 2001 CA ALA A 236 24.354 -5.089 -12.256 1.00 21.44 C ATOM 2002 C ALA A 236 24.585 -3.700 -11.800 1.00 17.79 C ATOM 2003 O ALA A 236 25.768 -3.264 -11.704 1.00 18.66 O ATOM 2004 CB ALA A 236 24.216 -5.176 -13.790 1.00 24.91 C ATOM 2005 H ALA A 236 22.337 -5.979 -12.159 1.00 0.00 H ATOM 2006 N TRP A 237 23.545 -2.912 -11.596 1.00 16.06 N ATOM 2007 CA TRP A 237 23.743 -1.565 -11.125 1.00 14.26 C ATOM 2008 C TRP A 237 24.356 -1.565 -9.721 1.00 11.50 C ATOM 2009 O TRP A 237 25.325 -0.868 -9.436 1.00 12.01 O ATOM 2010 CB TRP A 237 22.459 -0.779 -11.161 1.00 12.40 C ATOM 2011 CG TRP A 237 22.528 0.582 -10.651 1.00 11.30 C ATOM 2012 CD1 TRP A 237 23.148 1.604 -11.235 1.00 13.90 C ATOM 2013 CD2 TRP A 237 22.192 1.007 -9.347 1.00 10.60 C ATOM 2014 NE1 TRP A 237 23.184 2.742 -10.452 1.00 14.11 N ATOM 2015 CE2 TRP A 237 22.611 2.368 -9.246 1.00 11.56 C ATOM 2016 CE3 TRP A 237 21.446 0.445 -8.282 1.00 9.96 C ATOM 2017 CZ2 TRP A 237 22.284 3.150 -8.099 1.00 11.32 C ATOM 2018 CZ3 TRP A 237 21.218 1.179 -7.185 1.00 10.46 C ATOM 2019 CH2 TRP A 237 21.638 2.496 -7.078 1.00 11.11 C ATOM 2020 HE1 TRP A 237 23.560 3.677 -10.711 1.00 0.00 H ATOM 2021 H TRP A 237 22.583 -3.264 -11.775 1.00 0.00 H ATOM 2022 N ILE A 238 23.726 -2.372 -8.857 1.00 10.83 N ATOM 2023 CA ILE A 238 24.213 -2.461 -7.446 1.00 10.93 C ATOM 2024 C ILE A 238 25.700 -2.868 -7.486 1.00 11.97 C ATOM 2025 O ILE A 238 26.530 -2.234 -6.835 1.00 11.97 O ATOM 2026 CB ILE A 238 23.390 -3.377 -6.613 1.00 12.02 C ATOM 2027 CG1 ILE A 238 21.941 -2.859 -6.456 1.00 11.83 C ATOM 2028 CG2 ILE A 238 24.011 -3.632 -5.299 1.00 15.21 C ATOM 2029 CD1 ILE A 238 20.834 -3.853 -5.935 1.00 15.14 C ATOM 2030 H ILE A 238 22.905 -2.932 -9.165 1.00 0.00 H ATOM 2031 N ASP A 239 26.015 -3.934 -8.227 1.00 13.04 N ATOM 2032 CA ASP A 239 27.446 -4.388 -8.293 1.00 14.25 C ATOM 2033 C ASP A 239 28.331 -3.303 -8.791 1.00 12.30 C ATOM 2034 O ASP A 239 29.477 -3.162 -8.269 1.00 15.96 O ATOM 2035 CB ASP A 239 27.549 -5.546 -9.229 1.00 18.16 C ATOM 2036 CG ASP A 239 26.986 -6.873 -8.511 1.00 19.33 C ATOM 2037 OD1 ASP A 239 26.951 -7.077 -7.245 1.00 23.77 O ATOM 2038 OD2 ASP A 239 26.833 -7.750 -9.317 1.00 31.98 O ATOM 2039 H ASP A 239 25.277 -4.445 -8.753 1.00 0.00 H ATOM 2040 N SER A 240 27.935 -2.546 -9.805 1.00 13.47 N ATOM 2041 CA SER A 240 28.814 -1.563 -10.332 1.00 14.63 C ATOM 2042 C SER A 240 29.105 -0.463 -9.311 1.00 12.72 C ATOM 2043 O SER A 240 30.244 -0.027 -9.123 1.00 15.94 O ATOM 2044 CB SER A 240 28.252 -0.998 -11.607 1.00 14.38 C ATOM 2045 OG SER A 240 28.989 0.200 -11.980 1.00 17.85 O ATOM 2046 HG SER A 240 28.615 0.568 -12.820 1.00 0.00 H ATOM 2047 H SER A 240 26.986 -2.671 -10.212 1.00 0.00 H ATOM 2048 N VAL A 241 28.065 0.028 -8.654 1.00 11.76 N ATOM 2049 CA VAL A 241 28.242 1.078 -7.682 1.00 12.25 C ATOM 2050 C VAL A 241 29.122 0.580 -6.463 1.00 12.82 C ATOM 2051 O VAL A 241 29.996 1.298 -6.001 1.00 16.25 O ATOM 2052 CB VAL A 241 26.884 1.694 -7.245 1.00 11.49 C ATOM 2053 CG1 VAL A 241 27.049 2.697 -6.161 1.00 11.67 C ATOM 2054 CG2 VAL A 241 26.180 2.305 -8.493 1.00 12.15 C ATOM 2055 H VAL A 241 27.113 -0.347 -8.841 1.00 0.00 H ATOM 2056 N LEU A 242 28.767 -0.607 -5.985 1.00 13.83 N ATOM 2057 CA LEU A 242 29.450 -1.192 -4.843 1.00 16.30 C ATOM 2058 C LEU A 242 30.940 -1.313 -5.082 1.00 19.68 C ATOM 2059 O LEU A 242 31.713 -1.102 -4.146 1.00 24.85 O ATOM 2060 CB LEU A 242 28.929 -2.524 -4.354 1.00 20.57 C ATOM 2061 CG LEU A 242 28.053 -2.708 -3.118 1.00 28.35 C ATOM 2062 CD1 LEU A 242 27.153 -1.542 -3.000 1.00 24.45 C ATOM 2063 CD2 LEU A 242 27.197 -4.049 -3.250 1.00 24.87 C ATOM 2064 H LEU A 242 27.987 -1.127 -6.435 1.00 0.00 H ATOM 2065 N ALA A 243 31.357 -1.562 -6.346 1.00 18.90 N ATOM 2066 CA ALA A 243 32.722 -1.774 -6.715 1.00 23.15 C ATOM 2067 C ALA A 243 33.308 -0.394 -7.034 1.00 24.66 C ATOM 2068 O ALA A 243 34.601 -0.521 -7.250 1.00 26.92 O ATOM 2069 CB ALA A 243 32.763 -2.684 -7.905 1.00 24.37 C ATOM 2070 H ALA A 243 30.638 -1.602 -7.097 1.00 0.00 H TER 2071 ALA A 243 HETATM 2072 O HOH 1 -8.705 -8.297 -6.769 1.00 31.78 O HETATM 2073 O HOH 2 24.220 21.653 1.343 1.00 34.81 O HETATM 2074 O HOH 3 15.291 -15.505 -7.397 1.00 34.09 O HETATM 2075 O HOH 4 22.234 19.048 10.294 1.00 52.13 O HETATM 2076 O HOH 5 15.092 8.569 -16.880 1.00 47.18 O HETATM 2077 O HOH 6 16.304 -14.158 18.337 1.00 50.68 O HETATM 2078 O HOH 7 11.850 -5.329 20.956 1.00 26.79 O HETATM 2079 O HOH 8 30.094 7.375 13.231 1.00 63.17 O HETATM 2080 O HOH 9 33.255 1.663 11.847 1.00 32.34 O HETATM 2081 O HOH 10 10.588 12.442 -2.471 1.00 29.38 O HETATM 2082 O HOH 11 18.145 -9.844 -14.640 1.00 32.71 O HETATM 2083 O HOH 12 12.807 -6.925 7.355 1.00 23.90 O HETATM 2084 O HOH 13 3.139 -1.060 15.316 1.00 42.42 O HETATM 2085 O HOH 14 14.152 -7.750 -14.193 1.00 26.90 O HETATM 2086 O HOH 15 15.214 -14.552 -15.208 1.00 87.84 O HETATM 2087 O HOH 16 28.283 -0.381 13.286 1.00 14.02 O HETATM 2088 O HOH 17 4.239 11.885 11.026 1.00 17.84 O HETATM 2089 O HOH 18 10.111 -0.233 -13.437 1.00 24.07 O HETATM 2090 O HOH 19 14.054 -14.891 -1.214 1.00 24.62 O HETATM 2091 O HOH 20 16.107 -18.222 0.896 1.00 29.55 O HETATM 2092 O HOH 21 33.923 -3.627 8.994 1.00 30.06 O HETATM 2093 O HOH 22 6.728 -14.726 -13.091 1.00 26.31 O HETATM 2094 O HOH 23 23.715 20.298 4.104 1.00 28.53 O HETATM 2095 O HOH 24 -9.830 0.627 -6.850 1.00 56.87 O HETATM 2096 O HOH 25 -4.023 -0.852 9.562 1.00 35.06 O HETATM 2097 O HOH 26 10.355 5.810 -15.719 1.00 64.85 O HETATM 2098 O HOH 27 19.959 -9.930 -12.107 1.00 29.29 O HETATM 2099 O HOH 28 36.660 -5.553 6.102 1.00 44.27 O HETATM 2100 O HOH 29 21.267 13.089 9.726 1.00 17.19 O HETATM 2101 O HOH 30 11.971 7.155 -10.163 1.00 19.45 O HETATM 2102 O HOH 31 27.124 12.749 6.028 1.00 17.19 O HETATM 2103 O HOH 32 23.287 -11.265 14.039 1.00 33.35 O HETATM 2104 O HOH 33 31.407 3.290 -7.064 1.00 28.63 O HETATM 2105 O HOH 34 -5.559 2.293 6.021 1.00 23.91 O HETATM 2106 O HOH 35 8.012 7.816 -7.041 1.00 32.57 O HETATM 2107 O HOH 36 16.502 10.692 -8.700 1.00 87.29 O HETATM 2108 O HOH 37 16.843 9.995 -14.686 1.00 36.02 O HETATM 2109 O HOH 38 4.051 -5.273 -16.266 1.00 37.24 O HETATM 2110 O HOH 39 11.533 1.070 -8.761 1.00 13.66 O HETATM 2111 O HOH 40 26.177 3.795 20.887 1.00 31.38 O HETATM 2112 O HOH 41 23.022 16.459 1.609 1.00 37.00 O HETATM 2113 O HOH 42 12.103 1.287 -4.117 1.00 10.56 O HETATM 2114 O HOH 43 19.689 -13.727 6.353 1.00 35.74 O HETATM 2115 O HOH 44 9.897 -16.126 3.297 1.00 29.48 O HETATM 2116 O HOH 45 27.672 1.251 -14.080 1.00 14.81 O HETATM 2117 O HOH 46 11.713 -0.243 -11.216 1.00 17.63 O HETATM 2118 O HOH 47 2.421 -0.887 13.272 1.00 37.66 O HETATM 2119 O HOH 48 23.525 8.901 -9.507 1.00 18.51 O HETATM 2120 O HOH 49 20.225 9.889 15.180 1.00 15.16 O HETATM 2121 O HOH 50 -3.406 -7.634 -14.858 1.00 48.96 O HETATM 2122 O HOH 51 26.758 -7.014 -1.408 1.00 21.85 O HETATM 2123 O HOH 52 27.932 10.674 12.964 1.00 85.14 O HETATM 2124 O HOH 53 17.889 8.606 15.647 1.00 13.85 O HETATM 2125 O HOH 54 6.837 -0.068 20.165 1.00 22.83 O HETATM 2126 O HOH 55 -1.131 2.917 -13.727 1.00 43.94 O HETATM 2127 O HOH 56 8.369 13.469 -5.781 1.00 44.88 O HETATM 2128 O HOH 57 14.214 7.374 26.784 1.00 15.76 O HETATM 2129 O HOH 58 13.969 14.213 1.193 1.00 32.47 O HETATM 2130 O HOH 59 27.821 -0.774 16.002 1.00 15.91 O HETATM 2131 O HOH 60 1.008 -7.260 12.792 1.00 47.10 O HETATM 2132 O HOH 61 17.338 -11.070 10.682 1.00 33.49 O HETATM 2133 O HOH 62 14.285 8.914 24.544 1.00 18.76 O HETATM 2134 O HOH 63 15.889 19.047 7.944 1.00 38.13 O HETATM 2135 O HOH 64 21.585 -2.302 11.934 1.00 16.84 O HETATM 2136 O HOH 65 -2.934 0.607 0.734 1.00 21.31 O HETATM 2137 O HOH 66 11.759 9.031 19.257 1.00 38.30 O HETATM 2138 O HOH 67 2.307 -4.033 1.253 1.00 13.07 O HETATM 2139 O HOH 68 6.815 1.729 11.742 1.00 12.70 O HETATM 2140 O HOH 69 14.755 12.529 -6.174 1.00 36.86 O HETATM 2141 O HOH 70 6.533 10.477 -1.166 1.00 21.64 O HETATM 2142 O HOH 71 22.999 -3.098 21.433 1.00 28.53 O HETATM 2143 O HOH 72 35.753 8.743 4.332 1.00 25.24 O HETATM 2144 O HOH 73 11.707 0.806 6.361 1.00 8.51 O HETATM 2145 O HOH 74 8.378 -18.943 -1.440 1.00 27.03 O HETATM 2146 O HOH 75 -10.625 -1.170 0.324 1.00 44.66 O HETATM 2147 O HOH 76 18.238 -12.350 14.168 1.00 41.88 O HETATM 2148 O HOH 77 -0.112 -9.708 6.470 1.00 41.62 O HETATM 2149 O HOH 78 4.952 3.979 -3.893 1.00 24.13 O HETATM 2150 O HOH 79 24.932 -8.512 1.254 1.00 17.59 O HETATM 2151 O HOH 80 28.945 -7.001 -5.345 1.00 50.38 O HETATM 2152 O HOH 81 8.230 5.238 -6.157 1.00 28.34 O HETATM 2153 O HOH 82 27.814 -4.236 -13.280 1.00 22.97 O HETATM 2154 O HOH 83 4.325 -9.019 -7.284 1.00 16.54 O HETATM 2155 O HOH 84 4.943 10.640 -4.393 1.00 34.16 O HETATM 2156 O HOH 85 14.415 -6.403 14.546 1.00 13.47 O HETATM 2157 O HOH 86 16.686 -8.518 21.594 1.00 45.57 O HETATM 2158 O HOH 87 22.872 14.472 13.365 1.00 38.49 O HETATM 2159 O HOH 88 32.226 0.234 -11.039 1.00 27.27 O HETATM 2160 O HOH 89 -4.511 4.427 -13.067 1.00 44.75 O HETATM 2161 O HOH 90 25.746 -11.282 5.067 1.00 29.44 O HETATM 2162 O HOH 91 -1.101 -13.597 -5.254 1.00 17.84 O HETATM 2163 O HOH 92 18.807 -2.574 13.599 1.00 11.17 O HETATM 2164 O HOH 93 8.233 -11.802 -7.161 1.00 21.67 O HETATM 2165 O HOH 94 15.226 -10.959 8.673 1.00 32.35 O HETATM 2166 O HOH 95 17.160 11.172 -6.051 1.00 36.41 O HETATM 2167 O HOH 96 5.960 1.886 -13.670 1.00 29.08 O HETATM 2168 O HOH 97 13.674 -11.869 -7.340 1.00 25.63 O HETATM 2169 O HOH 98 14.557 -9.224 -6.201 1.00 14.28 O HETATM 2170 O HOH 99 4.161 -14.114 -6.904 1.00 21.07 O HETATM 2171 O HOH 100 20.465 -3.826 15.433 1.00 13.25 O HETATM 2172 O HOH 101 7.532 2.631 -16.584 1.00 35.71 O HETATM 2173 O HOH 102 9.694 7.254 13.714 1.00 11.28 O HETATM 2174 O HOH 103 11.349 11.813 11.620 1.00 19.95 O HETATM 2175 O HOH 104 34.148 -0.851 1.337 1.00 30.11 O HETATM 2176 O HOH 105 -1.795 13.701 14.403 1.00 21.27 O HETATM 2177 O HOH 106 19.706 0.725 12.707 1.00 8.99 O HETATM 2178 O HOH 107 32.035 1.768 15.588 1.00 33.07 O HETATM 2179 O HOH 108 7.212 11.941 1.134 1.00 20.29 O HETATM 2180 O HOH 109 16.224 -3.266 16.236 1.00 12.32 O HETATM 2181 O HOH 110 -8.199 -2.743 3.500 1.00 36.52 O HETATM 2182 O HOH 111 28.499 -3.442 15.655 1.00 16.08 O HETATM 2183 O HOH 112 26.903 12.424 -2.808 1.00 29.41 O HETATM 2184 O HOH 113 4.482 -1.720 18.873 1.00 35.37 O HETATM 2185 O HOH 114 27.014 10.376 -6.576 1.00 23.05 O HETATM 2186 O HOH 115 11.940 2.932 8.174 1.00 8.37 O HETATM 2187 O HOH 116 -2.034 0.865 12.102 1.00 34.16 O HETATM 2188 O HOH 117 29.621 -9.964 7.337 1.00 30.88 O HETATM 2189 O HOH 118 -5.112 7.654 13.672 1.00 28.77 O HETATM 2190 O HOH 119 12.332 13.459 8.573 1.00 28.69 O HETATM 2191 O HOH 120 37.151 5.314 5.415 1.00 27.07 O HETATM 2192 O HOH 121 7.789 2.479 19.137 1.00 17.12 O HETATM 2193 O HOH 122 0.115 2.148 -16.280 1.00 53.17 O HETATM 2194 O HOH 123 37.006 1.564 3.679 1.00 54.16 O HETATM 2195 O HOH 124 18.581 -9.741 18.678 1.00 35.42 O HETATM 2196 O HOH 125 26.632 7.436 16.913 1.00 23.89 O HETATM 2197 O HOH 126 15.511 -10.902 21.525 1.00 44.83 O HETATM 2198 O HOH 127 8.072 -4.958 -17.397 1.00 31.25 O HETATM 2199 O HOH 128 9.548 -18.507 -4.385 1.00 29.43 O HETATM 2200 O HOH 129 33.068 -7.644 6.030 1.00 42.90 O HETATM 2201 O HOH 130 20.060 -0.690 -13.779 1.00 24.44 O HETATM 2202 O HOH 131 3.995 -12.065 -9.651 1.00 17.91 O HETATM 2203 O HOH 132 25.235 -2.422 -14.426 1.00 38.99 O HETATM 2204 O HOH 133 -9.159 -6.401 -2.720 1.00 51.25 O HETATM 2205 O HOH 134 30.749 8.185 10.432 1.00 29.11 O HETATM 2206 O HOH 135 18.810 -14.426 -12.926 1.00 32.29 O HETATM 2207 O HOH 136 4.763 12.844 2.063 1.00 27.92 O HETATM 2208 O HOH 137 26.857 -5.506 16.728 1.00 18.13 O HETATM 2209 O HOH 138 13.527 10.705 14.009 1.00 14.51 O HETATM 2210 O HOH 139 3.782 -7.797 13.115 1.00 36.38 O HETATM 2211 O HOH 140 12.152 6.986 -14.298 1.00 27.17 O HETATM 2212 O HOH 141 10.964 -9.529 15.581 1.00 29.39 O HETATM 2213 O HOH 142 20.040 8.502 19.108 1.00 17.40 O HETATM 2214 O HOH 143 31.740 -2.244 1.265 1.00 17.62 O HETATM 2215 O HOH 144 -1.076 -7.236 4.202 1.00 26.51 O HETATM 2216 O HOH 145 16.906 -4.972 14.218 1.00 11.06 O HETATM 2217 O HOH 146 -3.663 -6.338 -0.791 1.00 21.35 O HETATM 2218 O HOH 147 36.410 7.061 12.857 1.00 47.37 O HETATM 2219 O HOH 148 9.642 -15.337 -12.758 1.00 34.34 O HETATM 2220 O HOH 149 -9.141 6.920 10.357 1.00 35.74 O HETATM 2221 O HOH 150 29.793 2.852 -11.005 1.00 19.94 O HETATM 2222 O HOH 151 -4.939 4.277 11.995 1.00 31.91 O HETATM 2223 O HOH 152 13.646 -0.667 -17.369 1.00 32.37 O HETATM 2224 O HOH 153 -1.130 2.131 -2.487 1.00 28.71 O HETATM 2225 O HOH 154 10.482 -10.559 -6.480 1.00 22.15 O HETATM 2226 O HOH 155 36.815 1.799 6.267 1.00 31.48 O HETATM 2227 O HOH 156 33.837 -4.985 11.562 1.00 24.64 O HETATM 2228 O HOH 157 28.106 -12.031 14.718 1.00 28.10 O HETATM 2229 O HOH 158 36.538 4.774 2.307 1.00 32.24 O HETATM 2230 O HOH 159 -2.668 -12.749 10.026 1.00 57.61 O HETATM 2231 O HOH 160 2.982 -9.504 11.097 1.00 36.44 O HETATM 2232 O HOH 161 17.945 -2.063 22.499 1.00 23.51 O HETATM 2233 O HOH 162 -0.934 3.188 -10.734 1.00 49.35 O HETATM 2234 O HOH 163 -2.527 -6.514 12.065 1.00 38.91 O HETATM 2235 O HOH 164 6.055 -18.269 2.873 1.00 24.44 O HETATM 2236 O HOH 165 30.559 -5.240 -6.441 1.00 27.27 O HETATM 2237 O HOH 166 17.221 1.121 -15.885 1.00 42.00 O HETATM 2238 O HOH 167 5.059 0.326 -0.634 1.00 19.60 O HETATM 2239 O HOH 168 21.500 -9.449 17.621 1.00 32.76 O HETATM 2240 O HOH 169 6.672 -7.160 20.373 1.00 37.19 O HETATM 2241 O HOH 170 19.443 8.882 -17.298 1.00 43.88 O HETATM 2242 O HOH 171 16.718 -5.969 -15.411 1.00 25.53 O HETATM 2243 O HOH 172 15.970 10.371 15.117 1.00 21.05 O HETATM 2244 O HOH 173 -1.996 9.216 17.124 1.00 30.24 O HETATM 2245 O HOH 174 25.430 15.062 4.103 1.00 30.05 O HETATM 2246 O HOH 175 22.912 1.579 26.407 1.00 49.47 O HETATM 2247 O HOH 176 -6.101 -6.942 -3.836 1.00 49.46 O HETATM 2248 O HOH 177 16.616 -17.591 -5.062 1.00 37.20 O HETATM 2249 O HOH 178 13.387 -14.766 -5.851 1.00 28.82 O HETATM 2250 O HOH 179 23.863 4.771 21.556 1.00 33.71 O HETATM 2251 O HOH 180 21.729 3.013 -15.428 1.00 23.44 O HETATM 2252 O HOH 181 -3.405 -3.534 -16.774 1.00 44.66 O HETATM 2253 O HOH 182 0.936 -8.328 -14.855 1.00 24.80 O HETATM 2254 O HOH 183 14.075 -7.689 22.177 1.00 32.24 O HETATM 2255 O HOH 184 31.740 -4.559 1.221 1.00 42.41 O HETATM 2256 O HOH 185 3.324 7.201 -6.481 1.00 41.06 O HETATM 2257 O HOH 186 21.597 10.076 -15.544 1.00 35.23 O HETATM 2258 O HOH 187 4.449 11.118 16.792 1.00 33.10 O HETATM 2259 O HOH 188 10.476 -14.118 5.593 1.00 36.17 O HETATM 2260 O HOH 189 17.794 -11.997 17.761 1.00 40.70 O HETATM 2261 O HOH 190 10.054 -12.233 10.473 1.00 50.18 O HETATM 2262 O HOH 191 21.911 -9.391 8.330 1.00 24.16 O HETATM 2263 O HOH 192 9.849 -3.205 24.483 1.00 16.36 O HETATM 2264 O HOH 193 23.098 12.375 -4.731 1.00 53.17 O HETATM 2265 O HOH 194 28.900 -13.105 10.064 1.00 41.91 O HETATM 2266 O HOH 195 17.740 9.078 25.481 1.00 28.59 O HETATM 2267 O HOH 196 24.567 -10.947 -1.060 1.00 18.32 O HETATM 2268 O HOH 197 25.078 2.111 25.050 1.00 37.08 O HETATM 2269 O HOH 198 34.162 10.818 4.579 1.00 23.87 O HETATM 2270 O HOH 199 31.431 -1.584 -12.869 1.00 46.70 O HETATM 2271 O HOH 200 8.792 9.640 18.034 1.00 35.43 O HETATM 2272 O HOH 201 -9.808 1.929 -3.495 1.00 48.68 O HETATM 2273 O HOH 202 8.670 -9.768 16.497 1.00 47.15 O HETATM 2274 O HOH 203 12.627 -13.473 5.875 1.00 31.54 O HETATM 2275 O HOH 204 8.598 10.898 -3.150 1.00 36.41 O HETATM 2276 O HOH 205 21.226 7.588 21.399 1.00 26.14 O HETATM 2277 O HOH 206 20.041 -6.078 -14.869 1.00 15.34 O HETATM 2278 O HOH 207 21.250 -3.706 23.134 1.00 53.82 O HETATM 2279 O HOH 208 1.292 -7.846 21.016 1.00 43.29 O HETATM 2280 O HOH 209 -2.283 -9.492 4.456 1.00 52.00 O HETATM 2281 O HOH 210 14.215 15.375 8.370 1.00 50.34 O HETATM 2282 O HOH 211 21.400 -14.861 -11.732 1.00 47.57 O HETATM 2283 O HOH 212 3.557 12.815 -3.784 1.00 37.25 O HETATM 2284 O HOH 213 15.918 -16.999 -1.711 1.00 27.38 O HETATM 2285 O HOH 214 -4.887 8.225 16.527 1.00 46.71 O HETATM 2286 O HOH 215 -5.463 5.833 -15.678 1.00 57.06 O HETATM 2287 O HOH 216 22.359 -11.776 7.630 1.00 49.13 O HETATM 2288 O HOH 217 21.962 16.912 12.797 1.00 48.94 O HETATM 2289 O HOH 218 34.221 2.717 -6.049 1.00 44.36 O HETATM 2290 O HOH 219 27.582 -3.556 20.550 1.00 43.82 O HETATM 2291 O HOH 220 19.505 10.650 -10.532 1.00 38.68 O HETATM 2292 O HOH 221 4.323 7.234 -10.456 1.00 44.79 O HETATM 2293 O HOH 222 15.185 -4.225 -17.921 1.00 30.38 O HETATM 2294 O HOH 223 1.223 11.597 2.289 1.00 18.29 O HETATM 2295 O HOH 224 -5.008 -8.777 -1.147 1.00 34.89 O HETATM 2296 O HOH 225 25.495 -0.289 -14.049 1.00 28.78 O HETATM 2297 O HOH 226 5.506 -11.683 -7.254 1.00 19.83 O HETATM 2298 O HOH 227 10.782 -17.871 0.558 1.00 47.62 O HETATM 2299 O HOH 228 -4.066 2.449 10.810 1.00 38.81 O HETATM 2300 O HOH 229 -7.733 2.201 4.683 1.00 40.55 O HETATM 2301 O HOH 230 3.094 4.618 -5.995 1.00 32.56 O HETATM 2302 O HOH 231 6.250 -13.041 -15.215 1.00 32.48 O HETATM 2303 O HOH 232 23.825 6.965 17.698 1.00 23.65 O HETATM 2304 O HOH 233 -0.737 -4.917 -17.020 1.00 37.90 O HETATM 2305 O HOH 234 26.147 -11.112 2.389 1.00 36.99 O HETATM 2306 O HOH 235 23.029 -14.876 -9.767 1.00 36.32 O HETATM 2307 O HOH 236 5.154 1.562 -16.153 1.00 49.07 O HETATM 2308 O HOH 237 4.978 3.012 18.675 1.00 37.15 O HETATM 2309 O HOH 238 3.054 -7.668 -16.682 1.00 44.77 O HETATM 2310 O HOH 239 13.101 15.509 3.232 1.00 35.06 O HETATM 2311 O HOH 240 36.469 -2.415 9.374 1.00 43.35 O HETATM 2312 O HOH 241 29.299 -7.819 2.844 1.00 34.27 O HETATM 2313 O HOH 242 11.669 -16.192 -1.385 1.00 25.82 O HETATM 2314 O HOH 243 25.225 10.742 -8.464 1.00 29.94 O HETATM 2315 O HOH 244 11.207 -0.747 -16.253 1.00 30.54 O HETATM 2316 O HOH 245 13.879 -17.581 -7.577 1.00 40.68 O HETATM 2317 O HOH 246 9.357 1.060 -17.415 1.00 56.45 O HETATM 2318 O HOH 247 16.877 7.157 27.655 1.00 20.45 O HETATM 2319 O HOH 248 5.961 15.024 -4.947 1.00 36.54 O HETATM 2320 O HOH 249 22.047 10.669 -11.000 1.00 28.03 O HETATM 2321 O HOH 250 12.241 -16.969 -4.222 1.00 42.59 O HETATM 2322 O HOH 251 30.270 -3.813 17.800 1.00 30.68 O HETATM 2323 O HOH 252 17.043 -12.391 7.912 1.00 45.62 O HETATM 2324 O HOH 253 18.224 -14.349 20.494 1.00 44.14 O HETATM 2325 O HOH 254 23.021 -0.205 -14.790 1.00 27.24 O HETATM 2326 O HOH 255 23.747 -10.849 -10.350 1.00 25.57 O HETATM 2327 O HOH 256 27.364 -6.937 -13.431 1.00 28.33 O HETATM 2328 O HOH 257 23.516 -13.173 15.622 1.00 36.72 O HETATM 2329 O HOH 258 10.879 9.753 13.769 1.00 17.75 O HETATM 2330 O HOH 259 -1.234 -7.940 -16.136 1.00 51.48 O HETATM 2331 O HOH 260 1.486 -5.310 19.734 1.00 43.91 O HETATM 2332 O HOH 261 21.779 -12.341 17.477 1.00 40.36 O HETATM 2333 O HOH 262 23.777 -13.496 6.598 1.00 43.93 O HETATM 2334 O HOH 263 -7.194 -9.615 -4.902 1.00 32.07 O HETATM 2335 O HOH 264 29.014 -3.368 22.690 1.00 41.70 O HETATM 2336 O HOH 265 20.037 11.446 -3.787 1.00 38.62 O HETATM 2337 O HOH 266 20.937 -12.236 12.622 1.00 42.31 O HETATM 2338 O HOH 267 37.181 7.378 2.120 1.00 29.69 O HETATM 2339 O HOH 268 27.075 -5.507 19.458 1.00 32.09 O HETATM 2340 O HOH 269 23.551 6.970 20.530 1.00 29.61 O HETATM 2341 O HOH 270 29.850 0.667 17.225 1.00 29.93 O HETATM 2342 O HOH 271 0.217 -0.788 -20.093 1.00 62.87 O HETATM 2343 O HOH 272 28.081 -11.649 5.926 1.00 36.30 O HETATM 2344 O HOH 273 13.075 13.302 14.847 1.00 28.51 O HETATM 2345 O HOH 274 -4.570 13.917 14.724 1.00 23.52 O HETATM 2346 O HOH 275 -11.997 0.687 -9.019 1.00 49.24 O HETATM 2347 O HOH 276 6.798 -18.744 5.396 1.00 39.33 O HETATM 2348 O HOH 277 16.688 -14.751 8.706 1.00 43.01 O HETATM 2349 O HOH 278 1.837 12.437 16.978 1.00 41.72 O HETATM 2350 O HOH 279 7.642 -19.900 1.576 1.00 29.31 O HETATM 2351 O HOH 280 34.238 -7.652 10.825 1.00 35.87 O HETATM 2352 O HOH 281 22.025 8.832 17.033 1.00 20.90 O HETATM 2353 O HOH 282 23.426 10.783 -13.664 1.00 40.85 O HETATM 2354 O HOH 283 26.234 -13.652 16.030 1.00 20.32 O HETATM 2355 O HOH 284 29.003 4.739 -9.243 1.00 26.58 O HETATM 2356 O HOH 285 30.928 -6.529 -0.411 1.00 46.81 O HETATM 2357 O HOH 286 19.177 13.120 -5.986 1.00 38.87 O HETATM 2358 O HOH 287 30.392 -8.518 5.539 1.00 46.27 O HETATM 2359 O HOH 288 -2.723 5.619 -7.846 1.00 50.17 O HETATM 2360 O HOH 289 28.873 8.524 -7.507 1.00 27.33 O HETATM 2361 O HOH 290 2.384 4.519 -10.792 1.00 49.91 O HETATM 2362 O HOH 291 26.315 -13.896 18.804 1.00 21.86 O HETATM 2363 O HOH 292 25.234 -12.238 21.018 1.00 31.79 O HETATM 2364 O HOH 293 21.049 -13.838 19.844 1.00 38.49 O HETATM 2365 O HOH 294 -2.067 7.896 -9.332 1.00 73.60 O HETATM 2366 C4 UNN A 295 10.975 10.344 0.571 1.00 -0.01 C HETATM 2367 C5 UNN A 295 9.725 9.587 0.392 1.00 0.05 C HETATM 2368 C6 UNN A 295 11.057 8.964 0.087 1.00 -0.02 C HETATM 2369 H4 UNN A 295 11.458 8.174 0.739 1.00 0.03 H HETATM 2370 H5 UNN A 295 11.345 8.761 -0.955 1.00 0.03 H HETATM 2371 N1 UNN A 295 9.166 9.397 1.672 1.00 -0.23 N HETATM 2372 C7 UNN A 295 8.204 8.503 1.961 1.00 0.28 C HETATM 2373 N2 UNN A 295 7.642 7.872 0.921 1.00 -0.24 N HETATM 2374 C8 UNN A 295 6.522 7.023 1.066 1.00 0.06 C HETATM 2375 C9 UNN A 295 6.506 5.715 0.775 1.00 0.06 C HETATM 2376 N3 UNN A 295 5.256 5.160 0.993 1.00 -0.18 N HETATM 2377 C11 UNN A 295 4.418 6.227 1.425 1.00 0.09 C HETATM 2378 C12 UNN A 295 5.215 7.379 1.460 1.00 0.00 C HETATM 2379 C13 UNN A 295 4.615 8.613 1.830 1.00 -0.08 C HETATM 2380 C14 UNN A 295 3.266 8.632 2.071 1.00 -0.08 C HETATM 2381 C15 UNN A 295 2.518 7.461 2.100 1.00 -0.08 C HETATM 2382 C16 UNN A 295 3.075 6.249 1.736 1.00 -0.04 C HETATM 2383 H15 UNN A 295 2.476 5.346 1.696 1.00 0.05 H HETATM 2384 H14 UNN A 295 1.481 7.498 2.413 1.00 0.05 H HETATM 2385 H2 UNN A 295 2.772 9.581 2.243 1.00 0.05 H HETATM 2386 H7 UNN A 295 5.209 9.515 1.919 1.00 0.05 H HETATM 2387 C10 UNN A 295 4.902 3.868 0.784 1.00 0.32 C HETATM 2388 N4 UNN A 295 5.747 3.145 0.055 1.00 -0.27 N HETATM 2389 H12 UNN A 295 5.546 2.184 -0.137 1.00 0.18 H HETATM 2390 H13 UNN A 295 6.583 3.562 -0.301 1.00 0.18 H HETATM 2391 O2 UNN A 295 3.837 3.464 1.216 1.00 -0.37 O HETATM 2392 H6 UNN A 295 7.369 5.158 0.412 1.00 0.07 H HETATM 2393 H8 UNN A 295 8.029 8.007 0.009 1.00 0.21 H HETATM 2394 O3 UNN A 295 7.891 8.254 3.109 1.00 -0.39 O HETATM 2395 C2 UNN A 295 10.025 9.893 2.696 1.00 0.14 C HETATM 2396 C3 UNN A 295 11.104 10.714 2.017 1.00 -0.01 C HETATM 2397 H9 UNN A 295 10.929 11.790 2.164 1.00 0.03 H HETATM 2398 H10 UNN A 295 12.100 10.449 2.402 1.00 0.03 H HETATM 2399 C1 UNN A 295 9.343 10.588 3.831 1.00 0.23 C HETATM 2400 O1 UNN A 295 8.373 11.308 3.626 1.00 -0.38 O HETATM 2401 N5 UNN A 295 9.876 10.389 5.047 1.00 -0.23 N HETATM 2402 C17 UNN A 295 9.512 10.974 6.248 1.00 0.06 C HETATM 2403 C18 UNN A 295 9.146 12.322 6.307 1.00 -0.05 C HETATM 2404 C19 UNN A 295 8.777 12.895 7.512 1.00 -0.08 C HETATM 2405 C20 UNN A 295 8.864 12.152 8.663 1.00 -0.05 C HETATM 2406 C21 UNN A 295 9.254 10.812 8.595 1.00 0.09 C HETATM 2407 O4 UNN A 295 9.346 10.058 9.795 1.00 -0.23 O HETATM 2408 C22 UNN A 295 8.335 9.273 10.112 1.00 0.55 C HETATM 2409 F1 UNN A 295 8.591 8.752 11.261 1.00 -0.14 F HETATM 2410 F2 UNN A 295 8.196 8.323 9.246 1.00 -0.14 F HETATM 2411 F3 UNN A 295 7.230 9.987 10.155 1.00 -0.14 F HETATM 2412 C23 UNN A 295 9.612 10.233 7.396 1.00 -0.01 C HETATM 2413 H20 UNN A 295 9.966 9.209 7.362 1.00 0.04 H HETATM 2414 H19 UNN A 295 8.631 12.603 9.621 1.00 0.04 H HETATM 2415 H18 UNN A 295 8.423 13.919 7.546 1.00 0.06 H HETATM 2416 H17 UNN A 295 9.151 12.922 5.404 1.00 0.04 H HETATM 2417 H16 UNN A 295 10.632 9.736 5.091 1.00 0.23 H HETATM 2418 H11 UNN A 295 10.520 9.019 3.145 1.00 0.08 H HETATM 2419 H3 UNN A 295 8.976 9.765 -0.394 1.00 0.06 H HETATM 2420 H1 UNN A 295 11.296 11.165 -0.087 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 234 233 368 CONECT 368 234 367 CONECT 1094 1093 1716 CONECT 1381 1380 1547 CONECT 1547 1381 1546 CONECT 1640 1639 1836 CONECT 1716 1094 1715 CONECT 1836 1640 1835 CONECT 2366 2367 2368 2396 2420 CONECT 2367 2366 2368 2371 2419 CONECT 2368 2366 2367 2369 2370 CONECT 2369 2368 CONECT 2370 2368 CONECT 2371 2367 2372 2395 CONECT 2372 2371 2373 2394 CONECT 2373 2372 2374 2393 CONECT 2374 2373 2375 2378 CONECT 2375 2374 2376 2392 CONECT 2376 2375 2377 2387 CONECT 2377 2376 2378 2382 CONECT 2378 2374 2377 2379 CONECT 2379 2378 2380 2386 CONECT 2380 2379 2381 2385 CONECT 2381 2380 2382 2384 CONECT 2382 2377 2381 2383 CONECT 2383 2382 CONECT 2384 2381 CONECT 2385 2380 CONECT 2386 2379 CONECT 2387 2376 2388 2391 CONECT 2388 2387 2389 2390 CONECT 2389 2388 CONECT 2390 2388 CONECT 2391 2387 CONECT 2392 2375 CONECT 2393 2373 CONECT 2394 2372 CONECT 2395 2371 2396 2399 2418 CONECT 2396 2366 2395 2397 2398 CONECT 2397 2396 CONECT 2398 2396 CONECT 2399 2395 2400 2401 CONECT 2400 2399 CONECT 2401 2399 2402 2417 CONECT 2402 2401 2403 2412 CONECT 2403 2402 2404 2416 CONECT 2404 2403 2405 2415 CONECT 2405 2404 2406 2414 CONECT 2406 2405 2407 2412 CONECT 2407 2406 2408 CONECT 2408 2407 2409 2410 2411 CONECT 2409 2408 CONECT 2410 2408 CONECT 2411 2408 CONECT 2412 2402 2406 2413 CONECT 2413 2412 CONECT 2414 2405 CONECT 2415 2404 CONECT 2416 2403 CONECT 2417 2401 CONECT 2418 2395 CONECT 2419 2367 CONECT 2420 2366 MASTER 0 0 0 0 0 0 0 0 2419 1 67 18 END
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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
5naw
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Complement factor D
Ligand Name
8RZ
EC.Number
E.C.3.4.21.46
Resolution
1.25(Å)
Affinity (Kd/Ki/IC50)
IC50=0.05uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 5717-5735
Ligand Properties
Formula
C
2
3
H
2
0
F
3
N
5
O
4
Molecular Weight
487.431
Exact Mass
487.147
No. of atoms
55
No. of bonds
59
Polar Surface Area
118.69
LOGP Value
3.20 (
Computed with XLOGP3
)
4.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
O=C([C@@H]1C[C@@H]2[C@H](N1C(=O)Nc1cn(c3c1cccc3)C(=O)N)C2)Nc1cccc(c1)OC(F)(F)F
InChI String
InChI=1S/C23H20F3N5O4/c24-23(25,26)35-14-5-3-4-13(10-14)28-20(32)19-9-12-8-18(12)31(19)22(34)29-16-11-30(21(27)33)17-7-2-1-6-15(16)17/h1-7,10-12,18-19H,8-9H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18-,19+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00746
Entrez Gene ID
NCBI Entrez Gene ID:
1675
ASD
Information of known allosteric effects of PDB entries
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