Browse entries in the PDBbind-CN Database
HEADER 6GGG_COMPLEX COMPND 6GGG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 7 ILE VAL TYR ALA GLY TYR ASP SEQRES 1 A 226 LYS PRO ASP THR ALA GLU ASN LEU LEU SER THR LEU ASN SEQRES 2 A 226 ARG LEU ALA GLY LYS GLN MET ILE GLN VAL VAL LYS TRP SEQRES 3 A 226 ALA LYS VAL LEU PRO GLY PHE LYS ASN LEU PRO LEU GLU SEQRES 4 A 226 ASP GLN ILE THR LEU ILE GLN TYR SER TRP MET SER LEU SEQRES 5 A 226 LEU SER PHE ALA LEU SER TRP ARG SER TYR LYS HIS THR SEQRES 6 A 226 ASN SER GLN PHE LEU TYR PHE ALA PRO ASP LEU VAL PHE SEQRES 7 A 226 ASN GLU GLU LYS MET HIS GLN SER ALA MET TYR GLU LEU SEQRES 8 A 226 CYS GLN GLY MET HIS GLN ILE SER LEU GLN PHE VAL ARG SEQRES 9 A 226 LEU GLN LEU THR PHE GLU GLU TYR THR ILE MET LYS VAL SEQRES 10 A 226 LEU LEU LEU LEU SER THR ILE PRO LYS ASP GLY LEU LYS SEQRES 11 A 226 SER GLN ALA ALA PHE GLU GLU MET ARG THR ASN TYR ILE SEQRES 12 A 226 LYS GLU LEU ARG LYS MET VAL THR LYS SER PRO ASN ASN SEQRES 13 A 226 SER GLY GLN SER TRP GLN ARG PHE TYR GLN LEU THR LYS SEQRES 14 A 226 LEU LEU ASP SER MET HIS ASP LEU VAL SER ASP LEU LEU SEQRES 15 A 226 GLU PHE CYS PHE TYR THR PHE ARG GLU SER HIS ALA LEU SEQRES 16 A 226 LYS VAL GLU PHE PRO ALA MET LEU VAL GLU ILE ILE SER SEQRES 17 A 226 ASP GLN LEU PRO LYS VAL GLU SER GLY ASN ALA LYS PRO SEQRES 18 A 226 LEU TYR PHE HIS ARG HET EYN A 408 59 ATOM 1 N ILE A 749 -34.997 16.238 -5.813 1.00 63.88 N ATOM 2 CA ILE A 749 -35.839 15.322 -5.030 1.00 63.01 C ATOM 3 C ILE A 749 -35.821 13.934 -5.702 1.00 61.23 C ATOM 4 O ILE A 749 -36.454 13.750 -6.745 1.00 62.66 O ATOM 5 CB ILE A 749 -37.285 15.911 -4.832 1.00 68.40 C ATOM 6 CG1 ILE A 749 -37.246 17.222 -3.993 1.00 69.24 C ATOM 7 CG2 ILE A 749 -38.242 14.884 -4.187 1.00 69.61 C ATOM 8 CD1 ILE A 749 -38.419 18.199 -4.204 1.00 77.18 C ATOM 9 HN3 ILE A 749 -35.371 16.309 -6.781 1.00 0.00 H ATOM 10 HN2 ILE A 749 -34.024 15.873 -5.843 1.00 0.00 H ATOM 11 HN1 ILE A 749 -35.002 17.178 -5.368 1.00 0.00 H ATOM 12 N VAL A 750 -35.069 12.971 -5.134 1.00 51.00 N ATOM 13 CA VAL A 750 -34.995 11.644 -5.747 1.00 48.36 C ATOM 14 C VAL A 750 -36.021 10.705 -5.097 1.00 47.34 C ATOM 15 O VAL A 750 -35.998 10.524 -3.874 1.00 43.38 O ATOM 16 CB VAL A 750 -33.565 11.009 -5.773 1.00 51.10 C ATOM 17 CG1 VAL A 750 -33.526 9.821 -6.725 1.00 51.11 C ATOM 18 CG2 VAL A 750 -32.493 12.025 -6.159 1.00 50.86 C ATOM 19 H VAL A 750 -34.541 13.171 -4.260 1.00 0.00 H ATOM 20 N TYR A 751 -36.901 10.106 -5.926 1.00 43.03 N ATOM 21 CA TYR A 751 -37.918 9.143 -5.508 1.00 44.14 C ATOM 22 C TYR A 751 -37.331 7.736 -5.451 1.00 46.36 C ATOM 23 O TYR A 751 -36.422 7.423 -6.221 1.00 45.13 O ATOM 24 CB TYR A 751 -39.157 9.217 -6.428 1.00 48.03 C ATOM 25 CG TYR A 751 -40.038 10.407 -6.105 1.00 52.10 C ATOM 26 CD1 TYR A 751 -39.703 11.687 -6.542 1.00 55.00 C ATOM 27 CD2 TYR A 751 -41.173 10.264 -5.315 1.00 53.62 C ATOM 28 CE1 TYR A 751 -40.489 12.793 -6.215 1.00 57.72 C ATOM 29 CE2 TYR A 751 -41.979 11.358 -5.001 1.00 55.60 C ATOM 30 CZ TYR A 751 -41.628 12.624 -5.445 1.00 65.23 C ATOM 31 OH TYR A 751 -42.407 13.713 -5.122 1.00 70.03 O ATOM 32 HH TYR A 751 -42.446 13.809 -4.137 1.00 0.00 H ATOM 33 H TYR A 751 -36.852 10.347 -6.936 1.00 0.00 H ATOM 34 N ALA A 752 -37.828 6.905 -4.522 1.00 45.21 N ATOM 35 CA ALA A 752 -37.353 5.534 -4.312 1.00 45.95 C ATOM 36 C ALA A 752 -37.967 4.531 -5.270 1.00 54.68 C ATOM 37 O ALA A 752 -37.353 3.499 -5.535 1.00 52.81 O ATOM 38 CB ALA A 752 -37.622 5.095 -2.876 1.00 46.27 C ATOM 39 H ALA A 752 -38.596 7.255 -3.914 1.00 0.00 H ATOM 40 N GLY A 753 -39.188 4.806 -5.729 1.00 57.69 N ATOM 41 CA GLY A 753 -39.942 3.899 -6.588 1.00 61.30 C ATOM 42 C GLY A 753 -40.288 2.628 -5.838 1.00 72.18 C ATOM 43 O GLY A 753 -40.231 1.534 -6.403 1.00 73.73 O ATOM 44 H GLY A 753 -39.625 5.711 -5.462 1.00 0.00 H ATOM 45 N TYR A 754 -40.588 2.773 -4.533 1.00 72.82 N ATOM 46 CA TYR A 754 -40.903 1.697 -3.592 1.00 75.12 C ATOM 47 C TYR A 754 -42.115 0.863 -4.043 1.00 83.89 C ATOM 48 O TYR A 754 -43.255 1.334 -3.983 1.00 85.79 O ATOM 49 CB TYR A 754 -41.085 2.286 -2.176 1.00 76.46 C ATOM 50 CG TYR A 754 -41.006 1.288 -1.041 1.00 79.48 C ATOM 51 CD1 TYR A 754 -39.911 0.436 -0.907 1.00 80.69 C ATOM 52 CD2 TYR A 754 -41.976 1.262 -0.042 1.00 81.69 C ATOM 53 CE1 TYR A 754 -39.820 -0.467 0.153 1.00 82.26 C ATOM 54 CE2 TYR A 754 -41.891 0.372 1.030 1.00 83.00 C ATOM 55 CZ TYR A 754 -40.810 -0.490 1.123 1.00 91.42 C ATOM 56 OH TYR A 754 -40.725 -1.369 2.178 1.00 94.83 O ATOM 57 HH TYR A 754 -40.703 -0.862 3.028 1.00 0.00 H ATOM 58 H TYR A 754 -40.597 3.743 -4.158 1.00 0.00 H ATOM 59 N ASP A 755 -41.844 -0.364 -4.544 1.00 81.54 N ATOM 60 CA ASP A 755 -42.848 -1.302 -5.058 1.00113.67 C ATOM 61 C ASP A 755 -43.702 -1.899 -3.935 1.00145.79 C ATOM 62 O ASP A 755 -43.174 -2.356 -2.922 1.00108.09 O ATOM 63 CB ASP A 755 -42.169 -2.418 -5.882 1.00115.49 C ATOM 64 CG ASP A 755 -43.051 -3.132 -6.898 1.00126.81 C ATOM 65 OD1 ASP A 755 -44.268 -2.836 -6.951 1.00128.83 O ATOM 66 OD2 ASP A 755 -42.521 -3.982 -7.647 1.00132.26 O ATOM 67 H ASP A 755 -40.849 -0.665 -4.566 1.00 0.00 H TER 68 ASP A 755 ATOM 69 N LYS A 758 -44.188 -5.787 -4.478 1.00 94.75 N ATOM 70 CA LYS A 758 -43.164 -6.745 -4.062 1.00 93.66 C ATOM 71 C LYS A 758 -43.171 -6.978 -2.538 1.00 96.54 C ATOM 72 O LYS A 758 -43.507 -6.048 -1.795 1.00 95.95 O ATOM 73 CB LYS A 758 -41.777 -6.325 -4.573 1.00 94.46 C ATOM 74 CG LYS A 758 -41.519 -6.789 -5.998 1.00112.53 C ATOM 75 CD LYS A 758 -40.160 -6.358 -6.516 1.00122.66 C ATOM 76 CE LYS A 758 -39.992 -6.750 -7.965 1.00137.89 C ATOM 77 NZ LYS A 758 -38.707 -6.261 -8.526 1.00146.78 N ATOM 78 HZ1 LYS A 758 -38.675 -5.223 -8.463 1.00 0.00 H ATOM 79 HZ2 LYS A 758 -37.917 -6.667 -7.985 1.00 0.00 H ATOM 80 HZ3 LYS A 758 -38.632 -6.552 -9.522 1.00 0.00 H ATOM 81 HN3 LYS A 758 -44.018 -4.874 -4.010 1.00 0.00 H ATOM 82 HN2 LYS A 758 -45.126 -6.146 -4.209 1.00 0.00 H ATOM 83 HN1 LYS A 758 -44.146 -5.662 -5.510 1.00 0.00 H ATOM 84 N PRO A 759 -42.833 -8.204 -2.047 1.00 92.14 N ATOM 85 CA PRO A 759 -42.877 -8.454 -0.593 1.00 91.12 C ATOM 86 C PRO A 759 -41.895 -7.618 0.221 1.00 89.32 C ATOM 87 O PRO A 759 -40.793 -7.327 -0.254 1.00 87.83 O ATOM 88 CB PRO A 759 -42.579 -9.954 -0.481 1.00 94.18 C ATOM 89 CG PRO A 759 -41.815 -10.281 -1.719 1.00 98.44 C ATOM 90 CD PRO A 759 -42.430 -9.423 -2.782 1.00 94.29 C ATOM 91 N ASP A 760 -42.308 -7.222 1.440 1.00 82.40 N ATOM 92 CA ASP A 760 -41.486 -6.417 2.338 1.00 78.89 C ATOM 93 C ASP A 760 -40.438 -7.298 3.027 1.00 76.12 C ATOM 94 O ASP A 760 -40.692 -7.882 4.087 1.00 77.54 O ATOM 95 CB ASP A 760 -42.355 -5.645 3.354 1.00 81.66 C ATOM 96 CG ASP A 760 -41.743 -4.350 3.867 1.00 95.26 C ATOM 97 OD1 ASP A 760 -40.543 -4.361 4.240 1.00 95.37 O ATOM 98 OD2 ASP A 760 -42.473 -3.338 3.940 1.00102.91 O ATOM 99 H ASP A 760 -43.258 -7.503 1.757 1.00 0.00 H ATOM 100 N THR A 761 -39.274 -7.432 2.380 1.00 65.01 N ATOM 101 CA THR A 761 -38.149 -8.214 2.896 1.00 61.54 C ATOM 102 C THR A 761 -36.954 -7.286 3.051 1.00 58.34 C ATOM 103 O THR A 761 -36.900 -6.254 2.373 1.00 54.24 O ATOM 104 CB THR A 761 -37.795 -9.389 1.960 1.00 62.81 C ATOM 105 OG1 THR A 761 -37.315 -8.883 0.714 1.00 53.91 O ATOM 106 CG2 THR A 761 -38.967 -10.355 1.736 1.00 65.70 C ATOM 107 HG1 THR A 761 -36.507 -8.333 0.872 1.00 0.00 H ATOM 108 H THR A 761 -39.163 -6.955 1.462 1.00 0.00 H ATOM 109 N ALA A 762 -35.981 -7.680 3.895 1.00 53.13 N ATOM 110 CA ALA A 762 -34.751 -6.919 4.109 1.00 51.40 C ATOM 111 C ALA A 762 -33.968 -6.809 2.791 1.00 50.24 C ATOM 112 O ALA A 762 -33.548 -5.716 2.438 1.00 45.60 O ATOM 113 CB ALA A 762 -33.908 -7.585 5.181 1.00 52.75 C ATOM 114 H ALA A 762 -36.111 -8.568 4.420 1.00 0.00 H ATOM 115 N GLU A 763 -33.874 -7.916 2.019 1.00 47.96 N ATOM 116 CA GLU A 763 -33.187 -7.958 0.718 1.00 47.50 C ATOM 117 C GLU A 763 -33.765 -6.903 -0.246 1.00 47.12 C ATOM 118 O GLU A 763 -33.004 -6.158 -0.868 1.00 44.89 O ATOM 119 CB GLU A 763 -33.301 -9.358 0.060 1.00 50.90 C ATOM 120 CG GLU A 763 -32.974 -10.533 0.965 1.00 66.67 C ATOM 121 CD GLU A 763 -34.107 -11.004 1.853 1.00 89.57 C ATOM 122 OE1 GLU A 763 -34.112 -10.630 3.048 1.00 61.31 O ATOM 123 OE2 GLU A 763 -34.996 -11.733 1.353 1.00 91.65 O ATOM 124 H GLU A 763 -34.315 -8.792 2.366 1.00 0.00 H ATOM 125 N ASN A 764 -35.105 -6.862 -0.378 1.00 42.19 N ATOM 126 CA ASN A 764 -35.800 -5.938 -1.279 1.00 41.41 C ATOM 127 C ASN A 764 -35.674 -4.493 -0.839 1.00 40.51 C ATOM 128 O ASN A 764 -35.449 -3.621 -1.685 1.00 38.57 O ATOM 129 CB ASN A 764 -37.257 -6.350 -1.494 1.00 43.28 C ATOM 130 CG ASN A 764 -37.379 -7.633 -2.286 1.00 72.82 C ATOM 131 OD1 ASN A 764 -36.516 -7.976 -3.110 1.00 63.18 O ATOM 132 ND2 ASN A 764 -38.447 -8.383 -2.045 1.00 68.56 N ATOM 133 HD22 ASN A 764 -39.155 -8.072 -1.349 1.00 0.00 H ATOM 134 HD21 ASN A 764 -38.576 -9.282 -2.552 1.00 0.00 H ATOM 135 H ASN A 764 -35.676 -7.520 0.189 1.00 0.00 H ATOM 136 N LEU A 765 -35.752 -4.242 0.483 1.00 36.23 N ATOM 137 CA LEU A 765 -35.550 -2.889 1.000 1.00 34.70 C ATOM 138 C LEU A 765 -34.115 -2.410 0.689 1.00 35.25 C ATOM 139 O LEU A 765 -33.948 -1.299 0.195 1.00 33.06 O ATOM 140 CB LEU A 765 -35.828 -2.834 2.513 1.00 35.16 C ATOM 141 CG LEU A 765 -35.509 -1.519 3.227 1.00 39.54 C ATOM 142 CD1 LEU A 765 -36.247 -0.326 2.600 1.00 39.47 C ATOM 143 CD2 LEU A 765 -35.817 -1.629 4.712 1.00 42.91 C ATOM 144 H LEU A 765 -35.958 -5.019 1.143 1.00 0.00 H ATOM 145 N LEU A 766 -33.101 -3.254 0.936 1.00 32.00 N ATOM 146 CA LEU A 766 -31.701 -2.876 0.666 1.00 31.20 C ATOM 147 C LEU A 766 -31.461 -2.590 -0.819 1.00 33.21 C ATOM 148 O LEU A 766 -30.795 -1.606 -1.151 1.00 31.49 O ATOM 149 CB LEU A 766 -30.720 -3.932 1.219 1.00 31.27 C ATOM 150 CG LEU A 766 -30.725 -4.068 2.776 1.00 35.07 C ATOM 151 CD1 LEU A 766 -29.833 -5.190 3.225 1.00 35.63 C ATOM 152 CD2 LEU A 766 -30.363 -2.719 3.474 1.00 34.16 C ATOM 153 H LEU A 766 -33.307 -4.196 1.327 1.00 0.00 H ATOM 154 N SER A 767 -32.025 -3.435 -1.716 1.00 32.60 N ATOM 155 CA SER A 767 -31.907 -3.222 -3.167 1.00 32.50 C ATOM 156 C SER A 767 -32.516 -1.869 -3.556 1.00 34.74 C ATOM 157 O SER A 767 -31.885 -1.112 -4.284 1.00 32.43 O ATOM 158 CB SER A 767 -32.583 -4.352 -3.941 1.00 33.53 C ATOM 159 OG SER A 767 -31.877 -5.547 -3.665 1.00 35.36 O ATOM 160 HG SER A 767 -32.296 -6.297 -4.156 1.00 0.00 H ATOM 161 H SER A 767 -32.557 -4.258 -1.368 1.00 0.00 H ATOM 162 N THR A 768 -33.705 -1.544 -3.013 1.00 32.69 N ATOM 163 CA THR A 768 -34.361 -0.240 -3.249 1.00 33.00 C ATOM 164 C THR A 768 -33.474 0.917 -2.762 1.00 32.80 C ATOM 165 O THR A 768 -33.279 1.900 -3.486 1.00 31.75 O ATOM 166 CB THR A 768 -35.738 -0.210 -2.568 1.00 40.50 C ATOM 167 OG1 THR A 768 -36.528 -1.228 -3.161 1.00 40.38 O ATOM 168 CG2 THR A 768 -36.455 1.138 -2.729 1.00 37.93 C ATOM 169 HG1 THR A 768 -36.092 -2.106 -3.022 1.00 0.00 H ATOM 170 H THR A 768 -34.181 -2.239 -2.403 1.00 0.00 H ATOM 171 N LEU A 769 -32.933 0.796 -1.532 1.00 29.06 N ATOM 172 CA LEU A 769 -32.046 1.828 -0.979 1.00 28.56 C ATOM 173 C LEU A 769 -30.777 1.987 -1.817 1.00 29.25 C ATOM 174 O LEU A 769 -30.358 3.104 -2.062 1.00 27.14 O ATOM 175 CB LEU A 769 -31.670 1.464 0.468 1.00 28.27 C ATOM 176 CG LEU A 769 -32.795 1.645 1.479 1.00 32.35 C ATOM 177 CD1 LEU A 769 -32.375 1.072 2.834 1.00 33.30 C ATOM 178 CD2 LEU A 769 -33.145 3.120 1.618 1.00 32.75 C ATOM 179 H LEU A 769 -33.149 -0.047 -0.963 1.00 0.00 H ATOM 180 N ASN A 770 -30.199 0.888 -2.327 1.00 27.69 N ATOM 181 CA ASN A 770 -28.969 0.968 -3.135 1.00 27.45 C ATOM 182 C ASN A 770 -29.187 1.677 -4.461 1.00 30.07 C ATOM 183 O ASN A 770 -28.371 2.514 -4.852 1.00 29.14 O ATOM 184 CB ASN A 770 -28.348 -0.410 -3.314 1.00 27.52 C ATOM 185 CG ASN A 770 -27.854 -0.979 -2.004 1.00 31.11 C ATOM 186 OD1 ASN A 770 -27.646 -0.252 -1.030 1.00 29.67 O ATOM 187 ND2 ASN A 770 -27.701 -2.292 -1.940 1.00 30.09 N ATOM 188 HD22 ASN A 770 -27.884 -2.878 -2.779 1.00 0.00 H ATOM 189 HD21 ASN A 770 -27.397 -2.737 -1.051 1.00 0.00 H ATOM 190 H ASN A 770 -30.629 -0.042 -2.148 1.00 0.00 H ATOM 191 N ARG A 771 -30.316 1.384 -5.113 1.00 28.70 N ATOM 192 CA ARG A 771 -30.749 2.008 -6.372 1.00 30.62 C ATOM 193 C ARG A 771 -30.922 3.514 -6.092 1.00 32.26 C ATOM 194 O ARG A 771 -30.409 4.360 -6.844 1.00 29.79 O ATOM 195 CB ARG A 771 -32.086 1.378 -6.803 1.00 35.43 C ATOM 196 CG ARG A 771 -32.421 1.460 -8.287 1.00 55.56 C ATOM 197 CD ARG A 771 -32.868 0.102 -8.844 1.00 62.57 C ATOM 198 NE ARG A 771 -33.845 -0.587 -7.992 1.00 71.13 N ATOM 199 CZ ARG A 771 -33.680 -1.806 -7.479 1.00 85.46 C ATOM 200 NH1 ARG A 771 -34.621 -2.342 -6.712 1.00 70.71 N ATOM 201 NH2 ARG A 771 -32.575 -2.500 -7.733 1.00 71.93 N ATOM 202 HE ARG A 771 -34.730 -0.087 -7.773 1.00 0.00 H ATOM 203 HH12 ARG A 771 -34.488 -3.294 -6.314 1.00 0.00 H ATOM 204 HH11 ARG A 771 -35.492 -1.811 -6.509 1.00 0.00 H ATOM 205 HH22 ARG A 771 -32.454 -3.451 -7.329 1.00 0.00 H ATOM 206 HH21 ARG A 771 -31.832 -2.092 -8.336 1.00 0.00 H ATOM 207 H ARG A 771 -30.936 0.659 -4.698 1.00 0.00 H ATOM 208 N LEU A 772 -31.596 3.842 -4.982 1.00 29.92 N ATOM 209 CA LEU A 772 -31.802 5.235 -4.569 1.00 28.70 C ATOM 210 C LEU A 772 -30.454 5.930 -4.274 1.00 30.20 C ATOM 211 O LEU A 772 -30.211 7.033 -4.774 1.00 29.03 O ATOM 212 CB LEU A 772 -32.772 5.294 -3.376 1.00 28.70 C ATOM 213 CG LEU A 772 -33.043 6.689 -2.787 1.00 32.18 C ATOM 214 CD1 LEU A 772 -33.626 7.626 -3.849 1.00 33.50 C ATOM 215 CD2 LEU A 772 -33.984 6.583 -1.554 1.00 31.32 C ATOM 216 H LEU A 772 -31.988 3.081 -4.391 1.00 0.00 H ATOM 217 N ALA A 773 -29.560 5.262 -3.520 1.00 27.72 N ATOM 218 CA ALA A 773 -28.216 5.788 -3.182 1.00 27.69 C ATOM 219 C ALA A 773 -27.407 6.098 -4.451 1.00 30.84 C ATOM 220 O ALA A 773 -26.767 7.147 -4.519 1.00 29.97 O ATOM 221 CB ALA A 773 -27.472 4.781 -2.317 1.00 28.11 C ATOM 222 H ALA A 773 -29.827 4.326 -3.155 1.00 0.00 H ATOM 223 N GLY A 774 -27.491 5.234 -5.477 1.00 28.43 N ATOM 224 CA GLY A 774 -26.793 5.474 -6.746 1.00 28.96 C ATOM 225 C GLY A 774 -27.278 6.733 -7.438 1.00 33.11 C ATOM 226 O GLY A 774 -26.472 7.530 -7.924 1.00 33.05 O ATOM 227 H GLY A 774 -28.065 4.374 -5.369 1.00 0.00 H ATOM 228 N LYS A 775 -28.605 6.955 -7.434 1.00 29.72 N ATOM 229 CA LYS A 775 -29.192 8.149 -8.043 1.00 30.68 C ATOM 230 C LYS A 775 -28.818 9.394 -7.233 1.00 33.25 C ATOM 231 O LYS A 775 -28.504 10.432 -7.819 1.00 32.64 O ATOM 232 CB LYS A 775 -30.706 8.009 -8.156 1.00 32.98 C ATOM 233 CG LYS A 775 -31.095 7.070 -9.286 1.00 35.58 C ATOM 234 CD LYS A 775 -32.572 6.816 -9.260 1.00 51.56 C ATOM 235 CE LYS A 775 -32.947 5.637 -10.124 1.00 62.09 C ATOM 236 NZ LYS A 775 -34.351 5.230 -9.865 1.00 70.33 N ATOM 237 HZ1 LYS A 775 -34.455 4.964 -8.865 1.00 0.00 H ATOM 238 HZ2 LYS A 775 -34.986 6.024 -10.081 1.00 0.00 H ATOM 239 HZ3 LYS A 775 -34.592 4.418 -10.468 1.00 0.00 H ATOM 240 H LYS A 775 -29.232 6.257 -6.985 1.00 0.00 H ATOM 241 N GLN A 776 -28.865 9.298 -5.888 1.00 29.96 N ATOM 242 CA GLN A 776 -28.442 10.407 -5.025 1.00 28.42 C ATOM 243 C GLN A 776 -26.968 10.739 -5.280 1.00 32.13 C ATOM 244 O GLN A 776 -26.599 11.913 -5.263 1.00 32.11 O ATOM 245 CB GLN A 776 -28.622 10.029 -3.549 1.00 29.07 C ATOM 246 CG GLN A 776 -30.118 9.932 -3.135 1.00 30.28 C ATOM 247 CD GLN A 776 -30.245 9.451 -1.709 1.00 34.49 C ATOM 248 OE1 GLN A 776 -29.263 9.048 -1.073 1.00 29.91 O ATOM 249 NE2 GLN A 776 -31.462 9.442 -1.173 1.00 31.79 N ATOM 250 HE22 GLN A 776 -32.275 9.785 -1.723 1.00 0.00 H ATOM 251 HE21 GLN A 776 -31.601 9.092 -0.203 1.00 0.00 H ATOM 252 H GLN A 776 -29.209 8.418 -5.453 1.00 0.00 H ATOM 253 N MET A 777 -26.126 9.709 -5.502 1.00 30.39 N ATOM 254 CA MET A 777 -24.686 9.916 -5.765 1.00 30.37 C ATOM 255 C MET A 777 -24.393 10.730 -7.041 1.00 37.26 C ATOM 256 O MET A 777 -23.447 11.528 -7.059 1.00 34.22 O ATOM 257 CB MET A 777 -23.925 8.589 -5.755 1.00 31.51 C ATOM 258 CG MET A 777 -23.601 8.090 -4.357 1.00 33.22 C ATOM 259 SD MET A 777 -22.799 9.302 -3.247 1.00 35.75 S ATOM 260 CE MET A 777 -21.308 9.745 -4.230 1.00 33.95 C ATOM 261 H MET A 777 -26.501 8.739 -5.488 1.00 0.00 H ATOM 262 N ILE A 778 -25.243 10.605 -8.078 1.00 37.14 N ATOM 263 CA ILE A 778 -25.101 11.434 -9.276 1.00 39.14 C ATOM 264 C ILE A 778 -25.220 12.909 -8.848 1.00 43.10 C ATOM 265 O ILE A 778 -24.375 13.722 -9.238 1.00 44.18 O ATOM 266 CB ILE A 778 -26.109 11.031 -10.396 1.00 43.52 C ATOM 267 CG1 ILE A 778 -26.025 9.520 -10.689 1.00 44.67 C ATOM 268 CG2 ILE A 778 -25.852 11.859 -11.672 1.00 47.02 C ATOM 269 CD1 ILE A 778 -27.157 8.943 -11.674 1.00 55.20 C ATOM 270 H ILE A 778 -26.013 9.908 -8.027 1.00 0.00 H ATOM 271 N GLN A 779 -26.199 13.234 -7.955 1.00 38.18 N ATOM 272 CA GLN A 779 -26.376 14.592 -7.434 1.00 37.41 C ATOM 273 C GLN A 779 -25.191 15.045 -6.565 1.00 39.14 C ATOM 274 O GLN A 779 -24.802 16.206 -6.626 1.00 38.11 O ATOM 275 CB GLN A 779 -27.673 14.728 -6.608 1.00 38.76 C ATOM 276 CG GLN A 779 -28.951 14.323 -7.356 1.00 50.82 C ATOM 277 CD GLN A 779 -30.216 14.786 -6.657 1.00 67.41 C ATOM 278 OE1 GLN A 779 -30.302 14.882 -5.424 1.00 60.93 O ATOM 279 NE2 GLN A 779 -31.246 15.049 -7.435 1.00 62.27 N ATOM 280 HE22 GLN A 779 -31.153 14.962 -8.467 1.00 0.00 H ATOM 281 HE21 GLN A 779 -32.152 15.343 -7.017 1.00 0.00 H ATOM 282 H GLN A 779 -26.846 12.487 -7.631 1.00 0.00 H ATOM 283 N VAL A 780 -24.656 14.150 -5.725 1.00 33.00 N ATOM 284 CA VAL A 780 -23.530 14.481 -4.840 1.00 32.58 C ATOM 285 C VAL A 780 -22.279 14.874 -5.691 1.00 35.96 C ATOM 286 O VAL A 780 -21.614 15.866 -5.404 1.00 36.62 O ATOM 287 CB VAL A 780 -23.244 13.283 -3.892 1.00 35.51 C ATOM 288 CG1 VAL A 780 -21.872 13.416 -3.220 1.00 36.44 C ATOM 289 CG2 VAL A 780 -24.359 13.117 -2.848 1.00 33.98 C ATOM 290 H VAL A 780 -25.050 13.188 -5.698 1.00 0.00 H ATOM 291 N VAL A 781 -22.001 14.117 -6.745 1.00 34.53 N ATOM 292 CA VAL A 781 -20.836 14.377 -7.601 1.00 35.16 C ATOM 293 C VAL A 781 -20.963 15.737 -8.302 1.00 42.58 C ATOM 294 O VAL A 781 -19.992 16.508 -8.337 1.00 41.56 O ATOM 295 CB VAL A 781 -20.537 13.207 -8.567 1.00 38.22 C ATOM 296 CG1 VAL A 781 -19.324 13.513 -9.456 1.00 39.04 C ATOM 297 CG2 VAL A 781 -20.312 11.915 -7.797 1.00 36.63 C ATOM 298 H VAL A 781 -22.626 13.317 -6.971 1.00 0.00 H ATOM 299 N LYS A 782 -22.181 16.068 -8.767 1.00 41.66 N ATOM 300 CA LYS A 782 -22.450 17.347 -9.424 1.00 42.99 C ATOM 301 C LYS A 782 -22.279 18.508 -8.460 1.00 47.06 C ATOM 302 O LYS A 782 -21.788 19.570 -8.858 1.00 47.21 O ATOM 303 CB LYS A 782 -23.823 17.338 -10.119 1.00 45.07 C ATOM 304 CG LYS A 782 -23.826 16.406 -11.333 1.00 55.16 C ATOM 305 CD LYS A 782 -25.170 16.345 -12.038 1.00 67.04 C ATOM 306 CE LYS A 782 -25.143 15.405 -13.221 1.00 71.12 C ATOM 307 NZ LYS A 782 -26.499 15.217 -13.799 1.00 77.97 N ATOM 308 HZ1 LYS A 782 -27.131 14.818 -13.075 1.00 0.00 H ATOM 309 HZ2 LYS A 782 -26.870 16.135 -14.116 1.00 0.00 H ATOM 310 HZ3 LYS A 782 -26.442 14.566 -14.608 1.00 0.00 H ATOM 311 H LYS A 782 -22.961 15.389 -8.655 1.00 0.00 H ATOM 312 N TRP A 783 -22.634 18.288 -7.175 1.00 41.37 N ATOM 313 CA TRP A 783 -22.500 19.269 -6.102 1.00 40.83 C ATOM 314 C TRP A 783 -21.005 19.463 -5.777 1.00 44.04 C ATOM 315 O TRP A 783 -20.542 20.596 -5.679 1.00 43.81 O ATOM 316 CB TRP A 783 -23.287 18.788 -4.855 1.00 38.45 C ATOM 317 CG TRP A 783 -22.873 19.409 -3.558 1.00 38.88 C ATOM 318 CD1 TRP A 783 -23.284 20.603 -3.048 1.00 42.40 C ATOM 319 CD2 TRP A 783 -22.003 18.832 -2.577 1.00 37.90 C ATOM 320 NE1 TRP A 783 -22.715 20.812 -1.812 1.00 41.65 N ATOM 321 CE2 TRP A 783 -21.913 19.745 -1.505 1.00 41.61 C ATOM 322 CE3 TRP A 783 -21.270 17.631 -2.508 1.00 38.63 C ATOM 323 CZ2 TRP A 783 -21.119 19.505 -0.384 1.00 40.51 C ATOM 324 CZ3 TRP A 783 -20.534 17.367 -1.366 1.00 39.48 C ATOM 325 CH2 TRP A 783 -20.434 18.312 -0.337 1.00 40.22 C ATOM 326 HE1 TRP A 783 -22.869 21.645 -1.209 1.00 0.00 H ATOM 327 H TRP A 783 -23.029 17.357 -6.934 1.00 0.00 H ATOM 328 N ALA A 784 -20.258 18.347 -5.622 1.00 39.62 N ATOM 329 CA ALA A 784 -18.831 18.381 -5.291 1.00 39.10 C ATOM 330 C ALA A 784 -17.981 19.068 -6.375 1.00 42.79 C ATOM 331 O ALA A 784 -17.096 19.848 -6.032 1.00 42.82 O ATOM 332 CB ALA A 784 -18.317 16.966 -5.034 1.00 38.52 C ATOM 333 H ALA A 784 -20.717 17.422 -5.743 1.00 0.00 H ATOM 334 N LYS A 785 -18.262 18.775 -7.665 1.00 40.11 N ATOM 335 CA LYS A 785 -17.572 19.258 -8.867 1.00 42.38 C ATOM 336 C LYS A 785 -17.391 20.782 -8.877 1.00 49.54 C ATOM 337 O LYS A 785 -16.355 21.248 -9.357 1.00 51.14 O ATOM 338 CB LYS A 785 -18.371 18.818 -10.116 1.00 43.39 C ATOM 339 CG LYS A 785 -17.631 18.831 -11.430 1.00 62.21 C ATOM 340 CD LYS A 785 -18.592 18.428 -12.531 1.00 67.19 C ATOM 341 CE LYS A 785 -17.988 18.491 -13.902 1.00 73.52 C ATOM 342 NZ LYS A 785 -18.967 18.041 -14.924 1.00 83.73 N ATOM 343 HZ1 LYS A 785 -19.249 17.060 -14.724 1.00 0.00 H ATOM 344 HZ2 LYS A 785 -19.804 18.657 -14.895 1.00 0.00 H ATOM 345 HZ3 LYS A 785 -18.530 18.092 -15.867 1.00 0.00 H ATOM 346 H LYS A 785 -19.063 18.131 -7.824 1.00 0.00 H ATOM 347 N VAL A 786 -18.397 21.550 -8.381 1.00 47.33 N ATOM 348 CA VAL A 786 -18.378 23.028 -8.409 1.00 50.01 C ATOM 349 C VAL A 786 -18.074 23.684 -7.037 1.00 54.07 C ATOM 350 O VAL A 786 -18.122 24.914 -6.918 1.00 55.75 O ATOM 351 CB VAL A 786 -19.662 23.638 -9.049 1.00 55.12 C ATOM 352 CG1 VAL A 786 -19.849 23.160 -10.490 1.00 55.59 C ATOM 353 CG2 VAL A 786 -20.909 23.366 -8.201 1.00 54.05 C ATOM 354 H VAL A 786 -19.221 21.074 -7.961 1.00 0.00 H ATOM 355 N LEU A 787 -17.738 22.877 -6.024 1.00 48.29 N ATOM 356 CA LEU A 787 -17.404 23.348 -4.686 1.00 46.80 C ATOM 357 C LEU A 787 -16.088 24.135 -4.700 1.00 49.57 C ATOM 358 O LEU A 787 -15.079 23.600 -5.186 1.00 47.60 O ATOM 359 CB LEU A 787 -17.244 22.113 -3.785 1.00 45.92 C ATOM 360 CG LEU A 787 -17.844 22.069 -2.407 1.00 49.67 C ATOM 361 CD1 LEU A 787 -19.219 22.750 -2.326 1.00 49.25 C ATOM 362 CD2 LEU A 787 -17.902 20.615 -1.928 1.00 47.69 C ATOM 363 H LEU A 787 -17.714 21.853 -6.202 1.00 0.00 H ATOM 364 N PRO A 788 -16.062 25.398 -4.181 1.00 47.22 N ATOM 365 CA PRO A 788 -14.788 26.150 -4.146 1.00 48.85 C ATOM 366 C PRO A 788 -13.686 25.360 -3.436 1.00 51.35 C ATOM 367 O PRO A 788 -13.963 24.688 -2.434 1.00 48.66 O ATOM 368 CB PRO A 788 -15.139 27.440 -3.385 1.00 51.49 C ATOM 369 CG PRO A 788 -16.613 27.564 -3.468 1.00 54.67 C ATOM 370 CD PRO A 788 -17.175 26.180 -3.607 1.00 49.23 C ATOM 371 N GLY A 789 -12.486 25.372 -4.024 1.00 49.22 N ATOM 372 CA GLY A 789 -11.320 24.652 -3.520 1.00 49.25 C ATOM 373 C GLY A 789 -11.211 23.220 -4.026 1.00 51.36 C ATOM 374 O GLY A 789 -10.139 22.780 -4.440 1.00 50.90 O ATOM 375 H GLY A 789 -12.376 25.929 -4.895 1.00 0.00 H ATOM 376 N PHE A 790 -12.314 22.466 -3.978 1.00 47.01 N ATOM 377 CA PHE A 790 -12.348 21.054 -4.398 1.00 44.78 C ATOM 378 C PHE A 790 -12.121 20.941 -5.865 1.00 51.55 C ATOM 379 O PHE A 790 -11.354 20.087 -6.322 1.00 49.51 O ATOM 380 CB PHE A 790 -13.704 20.427 -4.035 1.00 43.67 C ATOM 381 CG PHE A 790 -13.808 18.943 -4.291 1.00 40.97 C ATOM 382 CD1 PHE A 790 -13.343 18.026 -3.356 1.00 42.03 C ATOM 383 CD2 PHE A 790 -14.402 18.463 -5.447 1.00 42.51 C ATOM 384 CE1 PHE A 790 -13.486 16.655 -3.570 1.00 40.35 C ATOM 385 CE2 PHE A 790 -14.545 17.087 -5.661 1.00 42.33 C ATOM 386 CZ PHE A 790 -14.095 16.200 -4.717 1.00 38.71 C ATOM 387 H PHE A 790 -13.192 22.898 -3.626 1.00 0.00 H ATOM 388 N LYS A 791 -12.786 21.835 -6.611 1.00 52.68 N ATOM 389 CA LYS A 791 -12.737 21.928 -8.054 1.00 54.19 C ATOM 390 C LYS A 791 -11.289 22.008 -8.554 1.00 59.79 C ATOM 391 O LYS A 791 -10.994 21.487 -9.625 1.00 60.50 O ATOM 392 CB LYS A 791 -13.600 23.108 -8.544 1.00 59.35 C ATOM 393 CG LYS A 791 -13.255 24.468 -7.935 1.00 76.69 C ATOM 394 CD LYS A 791 -14.167 25.571 -8.444 1.00 90.70 C ATOM 395 CE LYS A 791 -13.768 26.912 -7.878 1.00104.69 C ATOM 396 NZ LYS A 791 -14.650 28.002 -8.368 1.00116.82 N ATOM 397 HZ1 LYS A 791 -14.591 28.054 -9.405 1.00 0.00 H ATOM 398 HZ2 LYS A 791 -15.631 27.806 -8.085 1.00 0.00 H ATOM 399 HZ3 LYS A 791 -14.343 28.906 -7.956 1.00 0.00 H ATOM 400 H LYS A 791 -13.388 22.519 -6.110 1.00 0.00 H ATOM 401 N ASN A 792 -10.384 22.566 -7.709 1.00 55.85 N ATOM 402 CA ASN A 792 -8.955 22.760 -7.961 1.00 56.18 C ATOM 403 C ASN A 792 -8.067 21.548 -7.662 1.00 56.41 C ATOM 404 O ASN A 792 -6.974 21.453 -8.231 1.00 56.94 O ATOM 405 CB ASN A 792 -8.452 23.989 -7.197 1.00 59.89 C ATOM 406 CG ASN A 792 -9.026 25.300 -7.690 1.00 85.85 C ATOM 407 OD1 ASN A 792 -9.223 26.242 -6.917 1.00 81.19 O ATOM 408 ND2 ASN A 792 -9.303 25.400 -8.987 1.00 79.35 N ATOM 409 HD22 ASN A 792 -9.129 24.593 -9.620 1.00 0.00 H ATOM 410 HD21 ASN A 792 -9.694 26.285 -9.369 1.00 0.00 H ATOM 411 H ASN A 792 -10.743 22.889 -6.788 1.00 0.00 H ATOM 412 N LEU A 793 -8.515 20.631 -6.772 1.00 48.47 N ATOM 413 CA LEU A 793 -7.760 19.414 -6.435 1.00 46.74 C ATOM 414 C LEU A 793 -7.539 18.534 -7.666 1.00 49.36 C ATOM 415 O LEU A 793 -8.400 18.520 -8.544 1.00 48.66 O ATOM 416 CB LEU A 793 -8.495 18.580 -5.355 1.00 44.87 C ATOM 417 CG LEU A 793 -8.486 19.134 -3.923 1.00 49.68 C ATOM 418 CD1 LEU A 793 -9.422 18.332 -3.026 1.00 47.57 C ATOM 419 CD2 LEU A 793 -7.061 19.161 -3.337 1.00 55.10 C ATOM 420 H LEU A 793 -9.431 20.794 -6.307 1.00 0.00 H ATOM 421 N PRO A 794 -6.432 17.760 -7.745 1.00 46.30 N ATOM 422 CA PRO A 794 -6.263 16.860 -8.908 1.00 45.46 C ATOM 423 C PRO A 794 -7.386 15.822 -8.951 1.00 45.68 C ATOM 424 O PRO A 794 -7.942 15.464 -7.900 1.00 42.04 O ATOM 425 CB PRO A 794 -4.906 16.182 -8.691 1.00 48.38 C ATOM 426 CG PRO A 794 -4.384 16.673 -7.392 1.00 53.86 C ATOM 427 CD PRO A 794 -5.324 17.646 -6.773 1.00 48.61 C ATOM 428 N LEU A 795 -7.711 15.349 -10.160 1.00 43.81 N ATOM 429 CA LEU A 795 -8.789 14.375 -10.368 1.00 42.60 C ATOM 430 C LEU A 795 -8.678 13.140 -9.468 1.00 43.83 C ATOM 431 O LEU A 795 -9.681 12.755 -8.864 1.00 39.74 O ATOM 432 CB LEU A 795 -8.890 13.998 -11.858 1.00 43.57 C ATOM 433 CG LEU A 795 -9.972 12.982 -12.265 1.00 46.77 C ATOM 434 CD1 LEU A 795 -11.389 13.467 -11.917 1.00 45.67 C ATOM 435 CD2 LEU A 795 -9.861 12.649 -13.752 1.00 48.24 C ATOM 436 H LEU A 795 -7.177 15.686 -10.987 1.00 0.00 H ATOM 437 N GLU A 796 -7.469 12.562 -9.315 1.00 42.38 N ATOM 438 CA GLU A 796 -7.318 11.380 -8.446 1.00 41.40 C ATOM 439 C GLU A 796 -7.731 11.657 -6.998 1.00 42.46 C ATOM 440 O GLU A 796 -8.339 10.788 -6.374 1.00 40.33 O ATOM 441 CB GLU A 796 -5.905 10.773 -8.524 1.00 44.25 C ATOM 442 CG GLU A 796 -4.790 11.668 -8.023 1.00 54.40 C ATOM 443 CD GLU A 796 -3.439 11.200 -8.521 1.00 84.48 C ATOM 444 OE1 GLU A 796 -2.991 11.708 -9.575 1.00 87.01 O ATOM 445 OE2 GLU A 796 -2.862 10.280 -7.899 1.00 75.50 O ATOM 446 H GLU A 796 -6.642 12.951 -9.811 1.00 0.00 H ATOM 447 N ASP A 797 -7.419 12.867 -6.477 1.00 39.95 N ATOM 448 CA ASP A 797 -7.798 13.276 -5.119 1.00 37.58 C ATOM 449 C ASP A 797 -9.297 13.490 -5.001 1.00 37.49 C ATOM 450 O ASP A 797 -9.863 13.124 -3.978 1.00 35.14 O ATOM 451 CB ASP A 797 -7.052 14.545 -4.677 1.00 40.38 C ATOM 452 CG ASP A 797 -5.585 14.336 -4.380 1.00 48.49 C ATOM 453 OD1 ASP A 797 -5.155 13.153 -4.272 1.00 48.21 O ATOM 454 OD2 ASP A 797 -4.864 15.346 -4.234 1.00 51.69 O ATOM 455 H ASP A 797 -6.886 13.538 -7.066 1.00 0.00 H ATOM 456 N GLN A 798 -9.937 14.109 -6.024 1.00 33.86 N ATOM 457 CA GLN A 798 -11.400 14.320 -6.015 1.00 32.81 C ATOM 458 C GLN A 798 -12.128 12.962 -5.940 1.00 34.35 C ATOM 459 O GLN A 798 -13.075 12.782 -5.159 1.00 31.14 O ATOM 460 CB GLN A 798 -11.843 15.064 -7.282 1.00 34.55 C ATOM 461 CG GLN A 798 -11.331 16.525 -7.363 1.00 39.48 C ATOM 462 CD GLN A 798 -11.793 17.242 -8.608 1.00 63.81 C ATOM 463 OE1 GLN A 798 -12.520 16.700 -9.451 1.00 61.94 O ATOM 464 NE2 GLN A 798 -11.354 18.479 -8.769 1.00 58.95 N ATOM 465 HE22 GLN A 798 -10.744 18.913 -8.047 1.00 0.00 H ATOM 466 HE21 GLN A 798 -11.618 19.018 -9.618 1.00 0.00 H ATOM 467 H GLN A 798 -9.383 14.445 -6.838 1.00 0.00 H ATOM 468 N ILE A 799 -11.631 11.995 -6.722 1.00 32.20 N ATOM 469 CA ILE A 799 -12.181 10.637 -6.737 1.00 31.38 C ATOM 470 C ILE A 799 -11.945 9.977 -5.384 1.00 33.64 C ATOM 471 O ILE A 799 -12.881 9.417 -4.825 1.00 30.42 O ATOM 472 CB ILE A 799 -11.565 9.807 -7.904 1.00 35.24 C ATOM 473 CG1 ILE A 799 -12.016 10.367 -9.269 1.00 36.77 C ATOM 474 CG2 ILE A 799 -11.902 8.297 -7.766 1.00 36.01 C ATOM 475 CD1 ILE A 799 -11.286 9.803 -10.517 1.00 40.06 C ATOM 476 H ILE A 799 -10.825 12.216 -7.341 1.00 0.00 H ATOM 477 N THR A 800 -10.702 10.047 -4.856 1.00 31.98 N ATOM 478 CA THR A 800 -10.381 9.446 -3.544 1.00 31.19 C ATOM 479 C THR A 800 -11.332 9.926 -2.426 1.00 32.83 C ATOM 480 O THR A 800 -11.885 9.119 -1.662 1.00 30.60 O ATOM 481 CB THR A 800 -8.896 9.688 -3.211 1.00 39.27 C ATOM 482 OG1 THR A 800 -8.099 8.966 -4.151 1.00 37.25 O ATOM 483 CG2 THR A 800 -8.533 9.260 -1.791 1.00 40.54 C ATOM 484 HG1 THR A 800 -8.298 9.287 -5.066 1.00 0.00 H ATOM 485 H THR A 800 -9.953 10.536 -5.386 1.00 0.00 H ATOM 486 N LEU A 801 -11.529 11.243 -2.351 1.00 31.56 N ATOM 487 CA LEU A 801 -12.358 11.855 -1.318 1.00 30.30 C ATOM 488 C LEU A 801 -13.815 11.438 -1.421 1.00 32.93 C ATOM 489 O LEU A 801 -14.413 11.081 -0.407 1.00 31.25 O ATOM 490 CB LEU A 801 -12.228 13.382 -1.377 1.00 30.39 C ATOM 491 CG LEU A 801 -10.862 13.922 -0.890 1.00 34.05 C ATOM 492 CD1 LEU A 801 -10.721 15.365 -1.240 1.00 34.69 C ATOM 493 CD2 LEU A 801 -10.682 13.726 0.634 1.00 33.42 C ATOM 494 H LEU A 801 -11.074 11.857 -3.056 1.00 0.00 H ATOM 495 N ILE A 802 -14.363 11.413 -2.648 1.00 29.37 N ATOM 496 CA ILE A 802 -15.758 10.978 -2.809 1.00 28.70 C ATOM 497 C ILE A 802 -15.900 9.481 -2.452 1.00 29.59 C ATOM 498 O ILE A 802 -16.874 9.086 -1.798 1.00 28.50 O ATOM 499 CB ILE A 802 -16.253 11.304 -4.250 1.00 31.69 C ATOM 500 CG1 ILE A 802 -16.374 12.837 -4.445 1.00 32.08 C ATOM 501 CG2 ILE A 802 -17.622 10.604 -4.546 1.00 32.67 C ATOM 502 CD1 ILE A 802 -16.587 13.287 -5.931 1.00 34.72 C ATOM 503 H ILE A 802 -13.804 11.699 -3.477 1.00 0.00 H ATOM 504 N GLN A 803 -14.920 8.655 -2.863 1.00 28.80 N ATOM 505 CA GLN A 803 -14.996 7.215 -2.578 1.00 28.49 C ATOM 506 C GLN A 803 -14.903 6.920 -1.091 1.00 31.49 C ATOM 507 O GLN A 803 -15.518 5.956 -0.621 1.00 30.37 O ATOM 508 CB GLN A 803 -13.938 6.427 -3.343 1.00 29.79 C ATOM 509 CG GLN A 803 -14.200 6.425 -4.850 1.00 31.35 C ATOM 510 CD GLN A 803 -13.124 5.683 -5.578 1.00 37.42 C ATOM 511 OE1 GLN A 803 -11.983 5.563 -5.088 1.00 33.93 O ATOM 512 NE2 GLN A 803 -13.446 5.236 -6.793 1.00 34.52 N ATOM 513 HE22 GLN A 803 -14.413 5.362 -7.154 1.00 0.00 H ATOM 514 HE21 GLN A 803 -12.730 4.762 -7.379 1.00 0.00 H ATOM 515 H GLN A 803 -14.105 9.037 -3.384 1.00 0.00 H ATOM 516 N TYR A 804 -14.184 7.749 -0.332 1.00 28.31 N ATOM 517 CA TYR A 804 -14.154 7.498 1.107 1.00 28.10 C ATOM 518 C TYR A 804 -15.410 8.035 1.826 1.00 31.85 C ATOM 519 O TYR A 804 -15.827 7.448 2.829 1.00 31.30 O ATOM 520 CB TYR A 804 -12.992 8.274 1.774 1.00 30.21 C ATOM 521 CG TYR A 804 -11.610 7.672 1.637 1.00 33.59 C ATOM 522 CD1 TYR A 804 -11.366 6.346 1.993 1.00 36.40 C ATOM 523 CD2 TYR A 804 -10.524 8.460 1.278 1.00 36.24 C ATOM 524 CE1 TYR A 804 -10.081 5.806 1.931 1.00 40.05 C ATOM 525 CE2 TYR A 804 -9.238 7.930 1.212 1.00 38.27 C ATOM 526 CZ TYR A 804 -9.021 6.606 1.548 1.00 43.33 C ATOM 527 OH TYR A 804 -7.752 6.096 1.450 1.00 46.20 O ATOM 528 HH TYR A 804 -7.758 5.144 1.723 1.00 0.00 H ATOM 529 H TYR A 804 -13.663 8.546 -0.750 1.00 0.00 H ATOM 530 N SER A 805 -15.960 9.173 1.368 1.00 28.71 N ATOM 531 CA SER A 805 -17.018 9.848 2.120 1.00 27.76 C ATOM 532 C SER A 805 -18.431 9.761 1.582 1.00 29.09 C ATOM 533 O SER A 805 -19.331 10.359 2.193 1.00 26.40 O ATOM 534 CB SER A 805 -16.653 11.310 2.302 1.00 31.58 C ATOM 535 OG SER A 805 -15.481 11.357 3.093 1.00 41.63 O ATOM 536 HG SER A 805 -15.658 10.931 3.969 1.00 0.00 H ATOM 537 H SER A 805 -15.630 9.578 0.469 1.00 0.00 H ATOM 538 N TRP A 806 -18.653 9.018 0.486 1.00 25.78 N ATOM 539 CA TRP A 806 -19.998 8.913 -0.085 1.00 26.32 C ATOM 540 C TRP A 806 -21.083 8.557 0.947 1.00 27.23 C ATOM 541 O TRP A 806 -22.134 9.209 0.977 1.00 27.26 O ATOM 542 CB TRP A 806 -20.014 7.953 -1.283 1.00 25.91 C ATOM 543 CG TRP A 806 -19.890 6.505 -0.923 1.00 26.81 C ATOM 544 CD1 TRP A 806 -18.743 5.805 -0.686 1.00 30.36 C ATOM 545 CD2 TRP A 806 -20.966 5.575 -0.792 1.00 26.70 C ATOM 546 NE1 TRP A 806 -19.042 4.483 -0.435 1.00 29.56 N ATOM 547 CE2 TRP A 806 -20.402 4.318 -0.478 1.00 30.34 C ATOM 548 CE3 TRP A 806 -22.370 5.681 -0.913 1.00 27.87 C ATOM 549 CZ2 TRP A 806 -21.186 3.175 -0.271 1.00 30.07 C ATOM 550 CZ3 TRP A 806 -23.145 4.534 -0.746 1.00 29.88 C ATOM 551 CH2 TRP A 806 -22.557 3.304 -0.414 1.00 30.40 C ATOM 552 HE1 TRP A 806 -18.348 3.732 -0.244 1.00 0.00 H ATOM 553 H TRP A 806 -17.862 8.512 0.038 1.00 0.00 H ATOM 554 N MET A 807 -20.829 7.539 1.786 1.00 24.67 N ATOM 555 CA MET A 807 -21.844 7.121 2.782 1.00 25.01 C ATOM 556 C MET A 807 -22.099 8.239 3.814 1.00 27.68 C ATOM 557 O MET A 807 -23.233 8.411 4.245 1.00 27.44 O ATOM 558 CB MET A 807 -21.438 5.808 3.489 1.00 26.51 C ATOM 559 CG MET A 807 -22.540 5.214 4.383 1.00 29.67 C ATOM 560 SD MET A 807 -23.988 4.598 3.497 1.00 32.30 S ATOM 561 CE MET A 807 -23.354 2.919 2.953 1.00 31.07 C ATOM 562 H MET A 807 -19.917 7.042 1.736 1.00 0.00 H ATOM 563 N SER A 808 -21.048 8.968 4.209 1.00 25.41 N ATOM 564 CA SER A 808 -21.176 10.064 5.175 1.00 23.69 C ATOM 565 C SER A 808 -22.050 11.170 4.590 1.00 27.54 C ATOM 566 O SER A 808 -22.943 11.678 5.279 1.00 26.72 O ATOM 567 CB SER A 808 -19.805 10.609 5.557 1.00 26.61 C ATOM 568 OG SER A 808 -19.930 11.387 6.733 1.00 25.42 O ATOM 569 HG SER A 808 -19.042 11.744 6.987 1.00 0.00 H ATOM 570 H SER A 808 -20.109 8.750 3.818 1.00 0.00 H ATOM 571 N LEU A 809 -21.823 11.512 3.299 1.00 24.85 N ATOM 572 CA LEU A 809 -22.600 12.536 2.602 1.00 24.80 C ATOM 573 C LEU A 809 -24.076 12.098 2.497 1.00 27.60 C ATOM 574 O LEU A 809 -24.978 12.881 2.817 1.00 25.98 O ATOM 575 CB LEU A 809 -21.991 12.808 1.225 1.00 26.77 C ATOM 576 CG LEU A 809 -20.597 13.464 1.300 1.00 30.01 C ATOM 577 CD1 LEU A 809 -19.903 13.475 -0.087 1.00 30.81 C ATOM 578 CD2 LEU A 809 -20.697 14.885 1.855 1.00 31.92 C ATOM 579 H LEU A 809 -21.063 11.025 2.781 1.00 0.00 H ATOM 580 N LEU A 810 -24.318 10.835 2.111 1.00 25.61 N ATOM 581 CA LEU A 810 -25.711 10.376 2.037 1.00 25.43 C ATOM 582 C LEU A 810 -26.422 10.322 3.405 1.00 27.39 C ATOM 583 O LEU A 810 -27.634 10.582 3.474 1.00 26.06 O ATOM 584 CB LEU A 810 -25.824 8.983 1.376 1.00 24.90 C ATOM 585 CG LEU A 810 -25.359 8.905 -0.088 1.00 27.48 C ATOM 586 CD1 LEU A 810 -25.704 7.535 -0.667 1.00 28.47 C ATOM 587 CD2 LEU A 810 -25.927 10.062 -0.940 1.00 28.78 C ATOM 588 H LEU A 810 -23.535 10.195 1.869 1.00 0.00 H ATOM 589 N SER A 811 -25.682 9.962 4.470 1.00 23.25 N ATOM 590 CA SER A 811 -26.211 9.860 5.840 1.00 22.67 C ATOM 591 C SER A 811 -26.591 11.234 6.350 1.00 26.50 C ATOM 592 O SER A 811 -27.663 11.408 6.934 1.00 25.83 O ATOM 593 CB SER A 811 -25.162 9.265 6.771 1.00 22.40 C ATOM 594 OG SER A 811 -24.883 7.924 6.425 1.00 16.64 O ATOM 595 HG SER A 811 -24.542 7.888 5.496 1.00 0.00 H ATOM 596 H SER A 811 -24.677 9.743 4.316 1.00 0.00 H ATOM 597 N PHE A 812 -25.710 12.214 6.114 1.00 24.30 N ATOM 598 CA PHE A 812 -25.940 13.592 6.561 1.00 24.60 C ATOM 599 C PHE A 812 -27.133 14.212 5.840 1.00 28.44 C ATOM 600 O PHE A 812 -27.985 14.835 6.496 1.00 26.68 O ATOM 601 CB PHE A 812 -24.666 14.411 6.417 1.00 25.69 C ATOM 602 CG PHE A 812 -24.587 15.591 7.355 1.00 25.78 C ATOM 603 CD1 PHE A 812 -24.516 15.402 8.735 1.00 29.44 C ATOM 604 CD2 PHE A 812 -24.465 16.881 6.856 1.00 28.25 C ATOM 605 CE1 PHE A 812 -24.383 16.500 9.602 1.00 31.29 C ATOM 606 CE2 PHE A 812 -24.354 17.974 7.725 1.00 31.00 C ATOM 607 CZ PHE A 812 -24.322 17.775 9.084 1.00 28.95 C ATOM 608 H PHE A 812 -24.835 11.991 5.598 1.00 0.00 H ATOM 609 N ALA A 813 -27.266 13.936 4.521 1.00 27.45 N ATOM 610 CA ALA A 813 -28.402 14.440 3.738 1.00 27.52 C ATOM 611 C ALA A 813 -29.687 13.751 4.237 1.00 26.57 C ATOM 612 O ALA A 813 -30.742 14.386 4.333 1.00 26.76 O ATOM 613 CB ALA A 813 -28.189 14.154 2.252 1.00 29.13 C ATOM 614 H ALA A 813 -26.545 13.352 4.050 1.00 0.00 H ATOM 615 N LEU A 814 -29.606 12.459 4.552 1.00 25.52 N ATOM 616 CA LEU A 814 -30.782 11.743 5.097 1.00 24.83 C ATOM 617 C LEU A 814 -31.234 12.399 6.423 1.00 27.19 C ATOM 618 O LEU A 814 -32.442 12.629 6.613 1.00 25.74 O ATOM 619 CB LEU A 814 -30.468 10.246 5.320 1.00 24.04 C ATOM 620 CG LEU A 814 -31.526 9.435 6.090 1.00 27.56 C ATOM 621 CD1 LEU A 814 -32.890 9.416 5.360 1.00 29.62 C ATOM 622 CD2 LEU A 814 -31.029 8.047 6.359 1.00 27.96 C ATOM 623 H LEU A 814 -28.710 11.949 4.414 1.00 0.00 H ATOM 624 N SER A 815 -30.272 12.725 7.307 1.00 24.84 N ATOM 625 CA SER A 815 -30.560 13.386 8.593 1.00 24.95 C ATOM 626 C SER A 815 -31.253 14.747 8.348 1.00 28.37 C ATOM 627 O SER A 815 -32.224 15.062 9.036 1.00 27.92 O ATOM 628 CB SER A 815 -29.273 13.582 9.385 1.00 26.39 C ATOM 629 OG SER A 815 -29.544 14.112 10.673 1.00 27.11 O ATOM 630 HG SER A 815 -28.693 14.230 11.166 1.00 0.00 H ATOM 631 H SER A 815 -29.284 12.501 7.073 1.00 0.00 H ATOM 632 N TRP A 816 -30.784 15.521 7.351 1.00 25.63 N ATOM 633 CA TRP A 816 -31.375 16.823 7.008 1.00 26.46 C ATOM 634 C TRP A 816 -32.810 16.642 6.510 1.00 28.38 C ATOM 635 O TRP A 816 -33.704 17.334 6.993 1.00 28.68 O ATOM 636 CB TRP A 816 -30.532 17.580 5.961 1.00 26.63 C ATOM 637 CG TRP A 816 -31.113 18.923 5.650 1.00 28.57 C ATOM 638 CD1 TRP A 816 -31.801 19.289 4.525 1.00 32.39 C ATOM 639 CD2 TRP A 816 -31.095 20.072 6.506 1.00 28.86 C ATOM 640 NE1 TRP A 816 -32.224 20.599 4.637 1.00 32.47 N ATOM 641 CE2 TRP A 816 -31.810 21.099 5.849 1.00 33.33 C ATOM 642 CE3 TRP A 816 -30.536 20.335 7.775 1.00 29.95 C ATOM 643 CZ2 TRP A 816 -31.948 22.382 6.400 1.00 33.32 C ATOM 644 CZ3 TRP A 816 -30.709 21.599 8.334 1.00 31.51 C ATOM 645 CH2 TRP A 816 -31.440 22.590 7.666 1.00 32.65 C ATOM 646 HE1 TRP A 816 -32.767 21.122 3.921 1.00 0.00 H ATOM 647 H TRP A 816 -29.969 15.184 6.800 1.00 0.00 H ATOM 648 N ARG A 817 -33.041 15.705 5.563 1.00 26.31 N ATOM 649 CA ARG A 817 -34.406 15.443 5.065 1.00 26.46 C ATOM 650 C ARG A 817 -35.348 15.030 6.194 1.00 29.37 C ATOM 651 O ARG A 817 -36.486 15.489 6.253 1.00 29.70 O ATOM 652 CB ARG A 817 -34.400 14.350 3.989 1.00 25.49 C ATOM 653 CG ARG A 817 -33.729 14.843 2.680 1.00 28.93 C ATOM 654 CD ARG A 817 -33.977 13.884 1.511 1.00 30.48 C ATOM 655 NE ARG A 817 -33.607 12.489 1.803 1.00 29.66 N ATOM 656 CZ ARG A 817 -32.388 11.976 1.639 1.00 34.89 C ATOM 657 NH1 ARG A 817 -31.379 12.751 1.258 1.00 29.68 N ATOM 658 NH2 ARG A 817 -32.160 10.690 1.901 1.00 29.34 N ATOM 659 HE ARG A 817 -34.351 11.858 2.163 1.00 0.00 H ATOM 660 HH12 ARG A 817 -30.430 12.345 1.132 1.00 0.00 H ATOM 661 HH11 ARG A 817 -31.538 13.764 1.086 1.00 0.00 H ATOM 662 HH22 ARG A 817 -31.207 10.294 1.772 1.00 0.00 H ATOM 663 HH21 ARG A 817 -32.935 10.082 2.235 1.00 0.00 H ATOM 664 H ARG A 817 -32.243 15.159 5.179 1.00 0.00 H ATOM 665 N SER A 818 -34.874 14.155 7.075 1.00 26.91 N ATOM 666 CA SER A 818 -35.655 13.614 8.193 1.00 26.63 C ATOM 667 C SER A 818 -36.080 14.737 9.148 1.00 29.61 C ATOM 668 O SER A 818 -37.229 14.811 9.582 1.00 27.35 O ATOM 669 CB SER A 818 -34.835 12.553 8.917 1.00 28.07 C ATOM 670 OG SER A 818 -34.496 11.505 8.016 1.00 29.02 O ATOM 671 HG SER A 818 -33.965 11.874 7.267 1.00 0.00 H ATOM 672 H SER A 818 -33.891 13.835 6.965 1.00 0.00 H ATOM 673 N TYR A 819 -35.148 15.631 9.412 1.00 27.49 N ATOM 674 CA TYR A 819 -35.342 16.794 10.277 1.00 27.43 C ATOM 675 C TYR A 819 -36.334 17.767 9.650 1.00 30.56 C ATOM 676 O TYR A 819 -37.294 18.164 10.306 1.00 30.15 O ATOM 677 CB TYR A 819 -33.974 17.449 10.497 1.00 28.08 C ATOM 678 CG TYR A 819 -33.939 18.857 11.057 1.00 28.89 C ATOM 679 CD1 TYR A 819 -34.482 19.145 12.309 1.00 31.79 C ATOM 680 CD2 TYR A 819 -33.207 19.857 10.420 1.00 29.95 C ATOM 681 CE1 TYR A 819 -34.360 20.418 12.872 1.00 33.41 C ATOM 682 CE2 TYR A 819 -33.053 21.119 10.986 1.00 31.04 C ATOM 683 CZ TYR A 819 -33.620 21.389 12.216 1.00 33.63 C ATOM 684 OH TYR A 819 -33.476 22.648 12.732 1.00 37.03 O ATOM 685 HH TYR A 819 -32.513 22.849 12.844 1.00 0.00 H ATOM 686 H TYR A 819 -34.213 15.501 8.976 1.00 0.00 H ATOM 687 N LYS A 820 -36.125 18.124 8.377 1.00 27.89 N ATOM 688 CA LYS A 820 -36.994 19.097 7.706 1.00 28.58 C ATOM 689 C LYS A 820 -38.407 18.598 7.428 1.00 32.37 C ATOM 690 O LYS A 820 -39.350 19.360 7.597 1.00 32.86 O ATOM 691 CB LYS A 820 -36.328 19.630 6.432 1.00 31.83 C ATOM 692 CG LYS A 820 -35.065 20.458 6.688 1.00 34.90 C ATOM 693 CD LYS A 820 -35.183 21.566 7.808 1.00 41.93 C ATOM 694 CE LYS A 820 -36.035 22.754 7.453 1.00 49.63 C ATOM 695 NZ LYS A 820 -36.120 23.681 8.613 1.00 55.48 N ATOM 696 HZ1 LYS A 820 -36.544 23.184 9.422 1.00 0.00 H ATOM 697 HZ2 LYS A 820 -35.165 24.006 8.866 1.00 0.00 H ATOM 698 HZ3 LYS A 820 -36.710 24.499 8.359 1.00 0.00 H ATOM 699 H LYS A 820 -35.331 17.703 7.853 1.00 0.00 H ATOM 700 N HIS A 821 -38.565 17.351 7.024 1.00 30.48 N ATOM 701 CA HIS A 821 -39.873 16.827 6.646 1.00 32.17 C ATOM 702 C HIS A 821 -40.672 16.174 7.773 1.00 34.55 C ATOM 703 O HIS A 821 -41.890 16.061 7.650 1.00 34.37 O ATOM 704 CB HIS A 821 -39.695 15.818 5.506 1.00 34.26 C ATOM 705 CG HIS A 821 -39.240 16.436 4.223 1.00 38.94 C ATOM 706 ND1 HIS A 821 -40.141 17.035 3.359 1.00 43.06 N ATOM 707 CD2 HIS A 821 -37.999 16.503 3.683 1.00 40.53 C ATOM 708 CE1 HIS A 821 -39.426 17.447 2.316 1.00 42.54 C ATOM 709 NE2 HIS A 821 -38.132 17.141 2.460 1.00 41.45 N ATOM 710 H HIS A 821 -37.735 16.726 6.974 1.00 0.00 H ATOM 711 N THR A 822 -40.005 15.647 8.812 1.00 29.78 N ATOM 712 CA THR A 822 -40.744 14.911 9.857 1.00 29.56 C ATOM 713 C THR A 822 -40.399 15.341 11.279 1.00 31.62 C ATOM 714 O THR A 822 -40.838 14.673 12.207 1.00 31.81 O ATOM 715 CB THR A 822 -40.486 13.374 9.738 1.00 33.30 C ATOM 716 OG1 THR A 822 -39.191 13.047 10.288 1.00 29.98 O ATOM 717 CG2 THR A 822 -40.659 12.827 8.285 1.00 33.17 C ATOM 718 HG1 THR A 822 -38.489 13.535 9.789 1.00 0.00 H ATOM 719 H THR A 822 -38.973 15.757 8.880 1.00 0.00 H ATOM 720 N ASN A 823 -39.572 16.388 11.445 1.00 27.60 N ATOM 721 CA ASN A 823 -39.090 16.867 12.769 1.00 27.60 C ATOM 722 C ASN A 823 -38.284 15.725 13.402 1.00 29.74 C ATOM 723 O ASN A 823 -38.321 15.520 14.609 1.00 27.91 O ATOM 724 CB ASN A 823 -40.238 17.326 13.687 1.00 30.24 C ATOM 725 CG ASN A 823 -40.856 18.627 13.233 1.00 35.47 C ATOM 726 OD1 ASN A 823 -41.402 18.719 12.149 1.00 37.21 O ATOM 727 ND2 ASN A 823 -40.864 19.641 14.084 1.00 31.27 N ATOM 728 HD22 ASN A 823 -40.394 19.549 15.007 1.00 0.00 H ATOM 729 HD21 ASN A 823 -41.341 20.530 13.830 1.00 0.00 H ATOM 730 H ASN A 823 -39.249 16.894 10.596 1.00 0.00 H ATOM 731 N SER A 824 -37.611 14.942 12.536 1.00 26.63 N ATOM 732 CA SER A 824 -36.778 13.800 12.920 1.00 27.12 C ATOM 733 C SER A 824 -37.530 12.686 13.635 1.00 31.10 C ATOM 734 O SER A 824 -36.932 11.941 14.407 1.00 33.19 O ATOM 735 CB SER A 824 -35.569 14.261 13.741 1.00 29.46 C ATOM 736 OG SER A 824 -34.829 15.226 13.008 1.00 30.86 O ATOM 737 HG SER A 824 -34.050 15.519 13.544 1.00 0.00 H ATOM 738 H SER A 824 -37.689 15.164 11.523 1.00 0.00 H ATOM 739 N GLN A 825 -38.830 12.507 13.334 1.00 28.41 N ATOM 740 CA GLN A 825 -39.576 11.386 13.884 1.00 29.30 C ATOM 741 C GLN A 825 -39.317 10.143 13.035 1.00 31.91 C ATOM 742 O GLN A 825 -39.413 9.017 13.533 1.00 32.94 O ATOM 743 CB GLN A 825 -41.069 11.699 13.882 1.00 30.50 C ATOM 744 CG GLN A 825 -41.441 12.736 14.937 1.00 31.51 C ATOM 745 CD GLN A 825 -42.912 12.688 15.210 1.00 43.58 C ATOM 746 OE1 GLN A 825 -43.724 12.699 14.291 1.00 39.60 O ATOM 747 NE2 GLN A 825 -43.287 12.656 16.475 1.00 39.18 N ATOM 748 HE22 GLN A 825 -42.571 12.648 17.229 1.00 0.00 H ATOM 749 HE21 GLN A 825 -44.298 12.639 16.717 1.00 0.00 H ATOM 750 H GLN A 825 -39.307 13.179 12.700 1.00 0.00 H ATOM 751 N PHE A 826 -39.038 10.331 11.741 1.00 29.28 N ATOM 752 CA PHE A 826 -38.828 9.186 10.837 1.00 28.59 C ATOM 753 C PHE A 826 -37.622 9.448 9.960 1.00 31.29 C ATOM 754 O PHE A 826 -37.243 10.607 9.774 1.00 31.78 O ATOM 755 CB PHE A 826 -40.059 8.980 9.914 1.00 31.30 C ATOM 756 CG PHE A 826 -41.361 8.726 10.634 1.00 34.56 C ATOM 757 CD1 PHE A 826 -41.676 7.457 11.109 1.00 38.85 C ATOM 758 CD2 PHE A 826 -42.233 9.771 10.913 1.00 36.72 C ATOM 759 CE1 PHE A 826 -42.858 7.234 11.831 1.00 42.02 C ATOM 760 CE2 PHE A 826 -43.407 9.550 11.646 1.00 40.64 C ATOM 761 CZ PHE A 826 -43.707 8.286 12.104 1.00 40.83 C ATOM 762 H PHE A 826 -38.968 11.299 11.367 1.00 0.00 H ATOM 763 N LEU A 827 -37.085 8.394 9.337 1.00 28.64 N ATOM 764 CA LEU A 827 -35.987 8.562 8.376 1.00 28.43 C ATOM 765 C LEU A 827 -36.637 8.763 7.004 1.00 31.80 C ATOM 766 O LEU A 827 -37.332 7.866 6.494 1.00 32.19 O ATOM 767 CB LEU A 827 -35.076 7.328 8.375 1.00 28.59 C ATOM 768 CG LEU A 827 -34.425 6.978 9.726 1.00 32.70 C ATOM 769 CD1 LEU A 827 -33.574 5.744 9.580 1.00 34.92 C ATOM 770 CD2 LEU A 827 -33.620 8.160 10.269 1.00 33.47 C ATOM 771 H LEU A 827 -37.450 7.441 9.536 1.00 0.00 H ATOM 772 N TYR A 828 -36.498 9.988 6.468 1.00 29.06 N ATOM 773 CA TYR A 828 -37.114 10.386 5.200 1.00 28.49 C ATOM 774 C TYR A 828 -36.142 10.058 4.064 1.00 31.39 C ATOM 775 O TYR A 828 -35.406 10.923 3.586 1.00 30.18 O ATOM 776 CB TYR A 828 -37.468 11.881 5.263 1.00 29.42 C ATOM 777 CG TYR A 828 -38.369 12.388 4.162 1.00 31.43 C ATOM 778 CD1 TYR A 828 -37.840 12.879 2.969 1.00 33.93 C ATOM 779 CD2 TYR A 828 -39.745 12.488 4.354 1.00 32.75 C ATOM 780 CE1 TYR A 828 -38.667 13.386 1.964 1.00 34.21 C ATOM 781 CE2 TYR A 828 -40.580 12.994 3.361 1.00 34.86 C ATOM 782 CZ TYR A 828 -40.034 13.468 2.181 1.00 42.30 C ATOM 783 OH TYR A 828 -40.857 14.002 1.220 1.00 41.99 O ATOM 784 HH TYR A 828 -41.339 14.781 1.596 1.00 0.00 H ATOM 785 H TYR A 828 -35.924 10.688 6.979 1.00 0.00 H ATOM 786 N PHE A 829 -36.109 8.788 3.649 1.00 29.86 N ATOM 787 CA PHE A 829 -35.200 8.388 2.548 1.00 28.92 C ATOM 788 C PHE A 829 -35.565 9.082 1.232 1.00 32.11 C ATOM 789 O PHE A 829 -34.697 9.618 0.526 1.00 31.33 O ATOM 790 CB PHE A 829 -35.224 6.863 2.376 1.00 30.12 C ATOM 791 CG PHE A 829 -34.585 6.162 3.547 1.00 29.75 C ATOM 792 CD1 PHE A 829 -33.204 5.998 3.612 1.00 30.51 C ATOM 793 CD2 PHE A 829 -35.358 5.686 4.599 1.00 31.77 C ATOM 794 CE1 PHE A 829 -32.618 5.335 4.692 1.00 31.05 C ATOM 795 CE2 PHE A 829 -34.766 5.055 5.689 1.00 33.66 C ATOM 796 CZ PHE A 829 -33.402 4.887 5.731 1.00 30.76 C ATOM 797 H PHE A 829 -36.722 8.079 4.099 1.00 0.00 H ATOM 798 N ALA A 830 -36.857 9.125 0.961 1.00 31.68 N ATOM 799 CA ALA A 830 -37.452 9.720 -0.229 1.00 32.18 C ATOM 800 C ALA A 830 -38.928 10.008 0.108 1.00 36.46 C ATOM 801 O ALA A 830 -39.438 9.435 1.075 1.00 34.92 O ATOM 802 CB ALA A 830 -37.359 8.718 -1.391 1.00 32.54 C ATOM 803 H ALA A 830 -37.504 8.699 1.655 1.00 0.00 H ATOM 804 N PRO A 831 -39.661 10.845 -0.667 1.00 38.13 N ATOM 805 CA PRO A 831 -41.080 11.090 -0.336 1.00 39.22 C ATOM 806 C PRO A 831 -41.924 9.816 -0.252 1.00 43.16 C ATOM 807 O PRO A 831 -42.880 9.757 0.520 1.00 43.76 O ATOM 808 CB PRO A 831 -41.544 12.003 -1.476 1.00 42.49 C ATOM 809 CG PRO A 831 -40.301 12.721 -1.890 1.00 45.59 C ATOM 810 CD PRO A 831 -39.237 11.664 -1.825 1.00 39.85 C ATOM 811 N ASP A 832 -41.545 8.785 -1.025 1.00 39.65 N ATOM 812 CA ASP A 832 -42.245 7.498 -1.071 1.00 41.14 C ATOM 813 C ASP A 832 -41.598 6.399 -0.206 1.00 43.90 C ATOM 814 O ASP A 832 -41.970 5.231 -0.331 1.00 44.76 O ATOM 815 CB ASP A 832 -42.404 7.036 -2.535 1.00 42.99 C ATOM 816 CG ASP A 832 -41.112 6.907 -3.334 1.00 47.17 C ATOM 817 OD1 ASP A 832 -40.074 7.464 -2.898 1.00 44.08 O ATOM 818 OD2 ASP A 832 -41.149 6.304 -4.422 1.00 52.16 O ATOM 819 H ASP A 832 -40.705 8.907 -1.626 1.00 0.00 H ATOM 820 N LEU A 833 -40.636 6.761 0.668 1.00 38.87 N ATOM 821 CA LEU A 833 -39.948 5.791 1.529 1.00 36.80 C ATOM 822 C LEU A 833 -39.582 6.469 2.850 1.00 36.87 C ATOM 823 O LEU A 833 -38.527 7.095 2.960 1.00 33.38 O ATOM 824 CB LEU A 833 -38.689 5.225 0.821 1.00 35.65 C ATOM 825 CG LEU A 833 -37.939 4.059 1.509 1.00 40.02 C ATOM 826 CD1 LEU A 833 -38.862 2.842 1.784 1.00 41.26 C ATOM 827 CD2 LEU A 833 -36.756 3.603 0.654 1.00 41.60 C ATOM 828 H LEU A 833 -40.372 7.765 0.734 1.00 0.00 H ATOM 829 N VAL A 834 -40.482 6.379 3.826 1.00 35.25 N ATOM 830 CA VAL A 834 -40.331 7.065 5.124 1.00 35.02 C ATOM 831 C VAL A 834 -40.631 6.063 6.234 1.00 40.14 C ATOM 832 O VAL A 834 -41.745 5.549 6.293 1.00 40.87 O ATOM 833 CB VAL A 834 -41.310 8.288 5.209 1.00 38.98 C ATOM 834 CG1 VAL A 834 -41.105 9.069 6.510 1.00 38.43 C ATOM 835 CG2 VAL A 834 -41.164 9.212 4.001 1.00 38.30 C ATOM 836 H VAL A 834 -41.330 5.799 3.667 1.00 0.00 H ATOM 837 N PHE A 835 -39.657 5.783 7.109 1.00 35.81 N ATOM 838 CA PHE A 835 -39.881 4.844 8.221 1.00 36.25 C ATOM 839 C PHE A 835 -38.799 5.038 9.293 1.00 38.87 C ATOM 840 O PHE A 835 -37.813 5.717 9.050 1.00 36.07 O ATOM 841 CB PHE A 835 -39.878 3.371 7.698 1.00 38.07 C ATOM 842 CG PHE A 835 -38.572 2.912 7.067 1.00 37.93 C ATOM 843 CD1 PHE A 835 -37.568 2.333 7.843 1.00 38.65 C ATOM 844 CD2 PHE A 835 -38.351 3.053 5.697 1.00 39.32 C ATOM 845 CE1 PHE A 835 -36.361 1.918 7.263 1.00 37.39 C ATOM 846 CE2 PHE A 835 -37.144 2.642 5.115 1.00 39.93 C ATOM 847 CZ PHE A 835 -36.164 2.057 5.898 1.00 37.42 C ATOM 848 H PHE A 835 -38.727 6.236 7.002 1.00 0.00 H ATOM 849 N ASN A 836 -38.961 4.426 10.470 1.00 37.64 N ATOM 850 CA ASN A 836 -37.884 4.477 11.464 1.00 36.89 C ATOM 851 C ASN A 836 -37.583 3.052 11.949 1.00 39.37 C ATOM 852 O ASN A 836 -38.134 2.102 11.403 1.00 38.93 O ATOM 853 CB ASN A 836 -38.160 5.483 12.604 1.00 37.36 C ATOM 854 CG ASN A 836 -39.396 5.191 13.411 1.00 48.55 C ATOM 855 OD1 ASN A 836 -39.841 4.049 13.518 1.00 45.90 O ATOM 856 ND2 ASN A 836 -39.962 6.216 14.027 1.00 45.04 N ATOM 857 HD22 ASN A 836 -39.565 7.171 13.919 1.00 0.00 H ATOM 858 HD21 ASN A 836 -40.804 6.067 14.619 1.00 0.00 H ATOM 859 H ASN A 836 -39.844 3.918 10.679 1.00 0.00 H ATOM 860 N GLU A 837 -36.726 2.911 12.962 1.00 36.35 N ATOM 861 CA GLU A 837 -36.285 1.625 13.509 1.00 37.60 C ATOM 862 C GLU A 837 -37.433 0.677 13.895 1.00 45.17 C ATOM 863 O GLU A 837 -37.265 -0.536 13.804 1.00 46.24 O ATOM 864 CB GLU A 837 -35.321 1.837 14.689 1.00 38.47 C ATOM 865 CG GLU A 837 -35.932 2.562 15.887 1.00 43.30 C ATOM 866 CD GLU A 837 -35.871 4.083 15.898 1.00 51.78 C ATOM 867 OE1 GLU A 837 -35.723 4.702 14.820 1.00 42.75 O ATOM 868 OE2 GLU A 837 -35.974 4.659 17.003 1.00 53.01 O ATOM 869 H GLU A 837 -36.343 3.776 13.394 1.00 0.00 H ATOM 870 N GLU A 838 -38.612 1.226 14.249 1.00 43.35 N ATOM 871 CA GLU A 838 -39.780 0.415 14.642 1.00 46.51 C ATOM 872 C GLU A 838 -40.258 -0.559 13.546 1.00 52.70 C ATOM 873 O GLU A 838 -40.845 -1.589 13.873 1.00 54.78 O ATOM 874 CB GLU A 838 -40.924 1.302 15.140 1.00 48.88 C ATOM 875 CG GLU A 838 -40.500 2.193 16.298 1.00 60.19 C ATOM 876 CD GLU A 838 -41.606 2.785 17.151 1.00 88.06 C ATOM 877 OE1 GLU A 838 -42.689 3.108 16.610 1.00 84.69 O ATOM 878 OE2 GLU A 838 -41.366 2.961 18.366 1.00 82.39 O ATOM 879 H GLU A 838 -38.702 2.262 14.245 1.00 0.00 H ATOM 880 N LYS A 839 -39.959 -0.266 12.262 1.00 48.59 N ATOM 881 CA LYS A 839 -40.313 -1.138 11.133 1.00 49.35 C ATOM 882 C LYS A 839 -39.276 -2.255 10.907 1.00 52.92 C ATOM 883 O LYS A 839 -39.536 -3.182 10.128 1.00 53.20 O ATOM 884 CB LYS A 839 -40.498 -0.323 9.829 1.00 51.07 C ATOM 885 CG LYS A 839 -41.722 0.601 9.812 1.00 59.67 C ATOM 886 CD LYS A 839 -43.081 -0.118 9.805 1.00 71.34 C ATOM 887 CE LYS A 839 -43.591 -0.414 8.414 1.00 90.40 C ATOM 888 NZ LYS A 839 -44.916 -1.090 8.446 1.00103.38 N ATOM 889 HZ1 LYS A 839 -44.833 -1.989 8.963 1.00 0.00 H ATOM 890 HZ2 LYS A 839 -45.606 -0.476 8.924 1.00 0.00 H ATOM 891 HZ3 LYS A 839 -45.232 -1.276 7.473 1.00 0.00 H ATOM 892 H LYS A 839 -39.453 0.621 12.062 1.00 0.00 H ATOM 893 N MET A 840 -38.112 -2.167 11.583 1.00 47.29 N ATOM 894 CA MET A 840 -37.034 -3.147 11.418 1.00 47.07 C ATOM 895 C MET A 840 -37.165 -4.371 12.330 1.00 56.78 C ATOM 896 O MET A 840 -37.194 -4.235 13.556 1.00 55.65 O ATOM 897 CB MET A 840 -35.653 -2.500 11.574 1.00 46.40 C ATOM 898 CG MET A 840 -35.379 -1.332 10.611 1.00 46.74 C ATOM 899 SD MET A 840 -35.211 -1.788 8.851 1.00 48.01 S ATOM 900 CE MET A 840 -36.840 -1.426 8.257 1.00 45.96 C ATOM 901 H MET A 840 -37.974 -1.376 12.244 1.00 0.00 H ATOM 902 N HIS A 841 -37.190 -5.566 11.716 1.00 58.78 N ATOM 903 CA HIS A 841 -37.286 -6.841 12.437 1.00 62.51 C ATOM 904 C HIS A 841 -35.901 -7.423 12.723 1.00 64.96 C ATOM 905 O HIS A 841 -35.721 -8.037 13.775 1.00 66.28 O ATOM 906 CB HIS A 841 -38.173 -7.846 11.681 1.00 66.38 C ATOM 907 CG HIS A 841 -39.497 -7.272 11.275 1.00 71.73 C ATOM 908 ND1 HIS A 841 -40.525 -7.106 12.191 1.00 75.48 N ATOM 909 CD2 HIS A 841 -39.900 -6.795 10.073 1.00 73.96 C ATOM 910 CE1 HIS A 841 -41.521 -6.555 11.514 1.00 75.60 C ATOM 911 NE2 HIS A 841 -41.192 -6.348 10.236 1.00 75.00 N ATOM 912 H HIS A 841 -37.139 -5.589 10.678 1.00 0.00 H ATOM 913 N GLN A 842 -34.919 -7.217 11.804 1.00 58.13 N ATOM 914 CA GLN A 842 -33.552 -7.715 11.993 1.00 56.46 C ATOM 915 C GLN A 842 -32.770 -6.767 12.892 1.00 57.14 C ATOM 916 O GLN A 842 -32.764 -5.554 12.655 1.00 54.17 O ATOM 917 CB GLN A 842 -32.848 -7.984 10.655 1.00 56.91 C ATOM 918 CG GLN A 842 -31.704 -9.003 10.751 1.00 76.80 C ATOM 919 CD GLN A 842 -30.358 -8.383 11.071 1.00 93.79 C ATOM 920 OE1 GLN A 842 -29.875 -7.491 10.364 1.00 90.67 O ATOM 921 NE2 GLN A 842 -29.701 -8.875 12.120 1.00 78.05 N ATOM 922 HE22 GLN A 842 -30.131 -9.625 12.698 1.00 0.00 H ATOM 923 HE21 GLN A 842 -28.758 -8.509 12.361 1.00 0.00 H ATOM 924 H GLN A 842 -35.145 -6.688 10.938 1.00 0.00 H ATOM 925 N SER A 843 -32.147 -7.331 13.952 1.00 53.55 N ATOM 926 CA SER A 843 -31.387 -6.637 14.994 1.00 52.57 C ATOM 927 C SER A 843 -30.398 -5.578 14.470 1.00 52.44 C ATOM 928 O SER A 843 -30.428 -4.444 14.931 1.00 50.59 O ATOM 929 CB SER A 843 -30.670 -7.644 15.890 1.00 59.18 C ATOM 930 OG SER A 843 -30.101 -6.991 17.013 1.00 72.83 O ATOM 931 HG SER A 843 -30.817 -6.548 17.534 1.00 0.00 H ATOM 932 H SER A 843 -32.215 -8.365 14.036 1.00 0.00 H ATOM 933 N ALA A 844 -29.517 -5.955 13.534 1.00 48.00 N ATOM 934 CA ALA A 844 -28.523 -5.036 12.982 1.00 46.33 C ATOM 935 C ALA A 844 -29.179 -3.868 12.253 1.00 47.16 C ATOM 936 O ALA A 844 -28.752 -2.731 12.450 1.00 46.69 O ATOM 937 CB ALA A 844 -27.587 -5.779 12.043 1.00 47.71 C ATOM 938 H ALA A 844 -29.541 -6.935 13.188 1.00 0.00 H ATOM 939 N MET A 845 -30.221 -4.140 11.435 1.00 41.99 N ATOM 940 CA MET A 845 -30.954 -3.118 10.678 1.00 40.56 C ATOM 941 C MET A 845 -31.711 -2.157 11.606 1.00 41.29 C ATOM 942 O MET A 845 -31.697 -0.936 11.389 1.00 37.34 O ATOM 943 CB MET A 845 -31.854 -3.760 9.631 1.00 43.99 C ATOM 944 CG MET A 845 -31.055 -4.307 8.464 1.00 48.44 C ATOM 945 SD MET A 845 -32.048 -5.247 7.309 1.00 54.58 S ATOM 946 CE MET A 845 -32.731 -3.939 6.327 1.00 49.89 C ATOM 947 H MET A 845 -30.520 -5.131 11.337 1.00 0.00 H ATOM 948 N TYR A 846 -32.274 -2.699 12.695 1.00 38.08 N ATOM 949 CA TYR A 846 -32.918 -1.881 13.724 1.00 38.00 C ATOM 950 C TYR A 846 -31.864 -0.958 14.334 1.00 40.07 C ATOM 951 O TYR A 846 -32.102 0.242 14.452 1.00 39.55 O ATOM 952 CB TYR A 846 -33.553 -2.786 14.816 1.00 41.20 C ATOM 953 CG TYR A 846 -34.202 -2.002 15.936 1.00 43.80 C ATOM 954 CD1 TYR A 846 -33.441 -1.461 16.969 1.00 45.56 C ATOM 955 CD2 TYR A 846 -35.577 -1.801 15.966 1.00 46.25 C ATOM 956 CE1 TYR A 846 -34.028 -0.710 17.987 1.00 47.01 C ATOM 957 CE2 TYR A 846 -36.182 -1.082 17.002 1.00 47.95 C ATOM 958 CZ TYR A 846 -35.400 -0.529 18.005 1.00 55.03 C ATOM 959 OH TYR A 846 -35.973 0.197 19.022 1.00 58.83 O ATOM 960 HH TYR A 846 -35.267 0.511 19.640 1.00 0.00 H ATOM 961 H TYR A 846 -32.253 -3.732 12.812 1.00 0.00 H ATOM 962 N GLU A 847 -30.680 -1.512 14.700 1.00 36.79 N ATOM 963 CA GLU A 847 -29.606 -0.732 15.334 1.00 36.23 C ATOM 964 C GLU A 847 -29.074 0.398 14.451 1.00 37.61 C ATOM 965 O GLU A 847 -28.797 1.509 14.934 1.00 35.59 O ATOM 966 CB GLU A 847 -28.452 -1.657 15.732 1.00 38.67 C ATOM 967 CG GLU A 847 -28.703 -2.430 17.014 1.00 51.73 C ATOM 968 CD GLU A 847 -27.667 -3.493 17.330 1.00 69.75 C ATOM 969 OE1 GLU A 847 -26.542 -3.422 16.781 1.00 55.35 O ATOM 970 OE2 GLU A 847 -27.983 -4.403 18.131 1.00 57.03 O ATOM 971 H GLU A 847 -30.526 -2.526 14.526 1.00 0.00 H ATOM 972 N LEU A 848 -28.889 0.103 13.157 1.00 33.33 N ATOM 973 CA LEU A 848 -28.408 1.123 12.219 1.00 31.45 C ATOM 974 C LEU A 848 -29.453 2.220 12.046 1.00 32.82 C ATOM 975 O LEU A 848 -29.085 3.386 12.089 1.00 31.01 O ATOM 976 CB LEU A 848 -28.045 0.483 10.877 1.00 31.43 C ATOM 977 CG LEU A 848 -26.868 -0.494 10.947 1.00 35.81 C ATOM 978 CD1 LEU A 848 -26.730 -1.237 9.654 1.00 36.75 C ATOM 979 CD2 LEU A 848 -25.566 0.223 11.271 1.00 35.61 C ATOM 980 H LEU A 848 -29.088 -0.859 12.814 1.00 0.00 H ATOM 981 N CYS A 849 -30.749 1.863 11.920 1.00 31.59 N ATOM 982 CA CYS A 849 -31.812 2.887 11.829 1.00 31.76 C ATOM 983 C CYS A 849 -31.893 3.739 13.083 1.00 33.88 C ATOM 984 O CYS A 849 -32.065 4.954 12.987 1.00 32.24 O ATOM 985 CB CYS A 849 -33.159 2.256 11.533 1.00 33.01 C ATOM 986 SG CYS A 849 -33.301 1.624 9.861 1.00 36.96 S ATOM 987 H CYS A 849 -31.003 0.855 11.887 1.00 0.00 H ATOM 988 N GLN A 850 -31.790 3.101 14.254 1.00 33.53 N ATOM 989 CA GLN A 850 -31.842 3.789 15.544 1.00 33.60 C ATOM 990 C GLN A 850 -30.687 4.776 15.661 1.00 35.82 C ATOM 991 O GLN A 850 -30.904 5.914 16.071 1.00 34.97 O ATOM 992 CB GLN A 850 -31.839 2.753 16.688 1.00 36.19 C ATOM 993 CG GLN A 850 -32.457 3.271 17.984 1.00 55.25 C ATOM 994 CD GLN A 850 -31.515 4.128 18.798 1.00 81.96 C ATOM 995 OE1 GLN A 850 -30.276 4.006 18.724 1.00 75.86 O ATOM 996 NE2 GLN A 850 -32.089 5.027 19.586 1.00 73.82 N ATOM 997 HE22 GLN A 850 -33.126 5.100 19.622 1.00 0.00 H ATOM 998 HE21 GLN A 850 -31.502 5.659 20.168 1.00 0.00 H ATOM 999 H GLN A 850 -31.667 2.068 14.247 1.00 0.00 H ATOM 1000 N GLY A 851 -29.485 4.368 15.233 1.00 32.36 N ATOM 1001 CA GLY A 851 -28.305 5.234 15.238 1.00 30.78 C ATOM 1002 C GLY A 851 -28.473 6.449 14.344 1.00 33.72 C ATOM 1003 O GLY A 851 -28.094 7.566 14.712 1.00 30.96 O ATOM 1004 H GLY A 851 -29.386 3.394 14.882 1.00 0.00 H ATOM 1005 N MET A 852 -29.037 6.230 13.131 1.00 29.98 N ATOM 1006 CA MET A 852 -29.307 7.312 12.193 1.00 28.06 C ATOM 1007 C MET A 852 -30.393 8.244 12.802 1.00 29.10 C ATOM 1008 O MET A 852 -30.297 9.473 12.701 1.00 28.81 O ATOM 1009 CB MET A 852 -29.783 6.722 10.847 1.00 30.37 C ATOM 1010 CG MET A 852 -30.012 7.773 9.804 1.00 33.68 C ATOM 1011 SD MET A 852 -28.482 8.400 9.100 1.00 37.20 S ATOM 1012 CE MET A 852 -28.218 9.886 9.996 1.00 35.65 C ATOM 1013 H MET A 852 -29.285 5.257 12.861 1.00 0.00 H ATOM 1014 N HIS A 853 -31.406 7.655 13.407 1.00 28.60 N ATOM 1015 CA HIS A 853 -32.486 8.418 14.054 1.00 29.45 C ATOM 1016 C HIS A 853 -31.891 9.362 15.139 1.00 32.18 C ATOM 1017 O HIS A 853 -32.259 10.537 15.189 1.00 29.72 O ATOM 1018 CB HIS A 853 -33.537 7.455 14.636 1.00 31.18 C ATOM 1019 CG HIS A 853 -34.818 8.109 15.092 1.00 34.97 C ATOM 1020 ND1 HIS A 853 -35.862 7.356 15.581 1.00 37.12 N ATOM 1021 CD2 HIS A 853 -35.207 9.408 15.036 1.00 36.22 C ATOM 1022 CE1 HIS A 853 -36.840 8.212 15.847 1.00 37.83 C ATOM 1023 NE2 HIS A 853 -36.478 9.465 15.570 1.00 36.96 N ATOM 1024 H HIS A 853 -31.443 6.616 13.428 1.00 0.00 H ATOM 1025 N GLN A 854 -30.926 8.864 15.951 1.00 31.37 N ATOM 1026 CA GLN A 854 -30.272 9.662 17.008 1.00 30.73 C ATOM 1027 C GLN A 854 -29.515 10.851 16.450 1.00 31.47 C ATOM 1028 O GLN A 854 -29.596 11.937 17.019 1.00 31.63 O ATOM 1029 CB GLN A 854 -29.391 8.788 17.942 1.00 32.40 C ATOM 1030 CG GLN A 854 -30.203 7.796 18.785 1.00 32.59 C ATOM 1031 CD GLN A 854 -31.287 8.448 19.626 1.00 52.49 C ATOM 1032 OE1 GLN A 854 -32.467 8.080 19.566 1.00 51.18 O ATOM 1033 NE2 GLN A 854 -30.927 9.472 20.379 1.00 42.25 N ATOM 1034 HE22 GLN A 854 -29.930 9.765 20.416 1.00 0.00 H ATOM 1035 HE21 GLN A 854 -31.641 9.985 20.935 1.00 0.00 H ATOM 1036 H GLN A 854 -30.633 7.874 15.824 1.00 0.00 H ATOM 1037 N ILE A 855 -28.829 10.704 15.300 1.00 28.76 N ATOM 1038 CA ILE A 855 -28.167 11.844 14.657 1.00 29.07 C ATOM 1039 C ILE A 855 -29.189 12.885 14.239 1.00 30.89 C ATOM 1040 O ILE A 855 -28.988 14.084 14.480 1.00 29.59 O ATOM 1041 CB ILE A 855 -27.291 11.410 13.423 1.00 33.06 C ATOM 1042 CG1 ILE A 855 -26.093 10.544 13.868 1.00 35.56 C ATOM 1043 CG2 ILE A 855 -26.874 12.618 12.558 1.00 34.27 C ATOM 1044 CD1 ILE A 855 -24.934 11.259 14.692 1.00 37.67 C ATOM 1045 H ILE A 855 -28.768 9.764 14.860 1.00 0.00 H ATOM 1046 N SER A 856 -30.283 12.446 13.579 1.00 28.13 N ATOM 1047 CA SER A 856 -31.310 13.382 13.122 1.00 27.76 C ATOM 1048 C SER A 856 -31.948 14.130 14.292 1.00 30.48 C ATOM 1049 O SER A 856 -32.278 15.310 14.172 1.00 29.52 O ATOM 1050 CB SER A 856 -32.341 12.678 12.245 1.00 31.45 C ATOM 1051 OG SER A 856 -33.156 11.814 13.012 1.00 34.54 O ATOM 1052 HG SER A 856 -32.590 11.129 13.448 1.00 0.00 H ATOM 1053 H SER A 856 -30.397 11.429 13.393 1.00 0.00 H ATOM 1054 N LEU A 857 -32.049 13.466 15.453 1.00 27.22 N ATOM 1055 CA LEU A 857 -32.591 14.103 16.664 1.00 26.63 C ATOM 1056 C LEU A 857 -31.643 15.196 17.183 1.00 29.06 C ATOM 1057 O LEU A 857 -32.099 16.170 17.771 1.00 27.88 O ATOM 1058 CB LEU A 857 -32.887 13.055 17.732 1.00 27.38 C ATOM 1059 CG LEU A 857 -34.139 12.234 17.428 1.00 29.87 C ATOM 1060 CD1 LEU A 857 -34.196 11.003 18.303 1.00 30.94 C ATOM 1061 CD2 LEU A 857 -35.402 13.099 17.610 1.00 30.09 C ATOM 1062 H LEU A 857 -31.736 12.475 15.499 1.00 0.00 H ATOM 1063 N GLN A 858 -30.317 15.055 16.929 1.00 28.10 N ATOM 1064 CA GLN A 858 -29.356 16.110 17.309 1.00 27.05 C ATOM 1065 C GLN A 858 -29.620 17.369 16.496 1.00 28.53 C ATOM 1066 O GLN A 858 -29.420 18.478 16.995 1.00 28.42 O ATOM 1067 CB GLN A 858 -27.886 15.654 17.092 1.00 28.62 C ATOM 1068 CG GLN A 858 -27.522 14.346 17.779 1.00 35.86 C ATOM 1069 CD GLN A 858 -27.892 14.369 19.220 1.00 52.74 C ATOM 1070 OE1 GLN A 858 -27.587 15.332 19.927 1.00 44.70 O ATOM 1071 NE2 GLN A 858 -28.635 13.349 19.659 1.00 53.53 N ATOM 1072 HE22 GLN A 858 -28.864 12.560 19.021 1.00 0.00 H ATOM 1073 HE21 GLN A 858 -28.984 13.344 20.639 1.00 0.00 H ATOM 1074 H GLN A 858 -29.973 14.192 16.461 1.00 0.00 H ATOM 1075 N PHE A 859 -30.132 17.219 15.256 1.00 26.48 N ATOM 1076 CA PHE A 859 -30.478 18.382 14.422 1.00 25.47 C ATOM 1077 C PHE A 859 -31.633 19.125 15.110 1.00 29.13 C ATOM 1078 O PHE A 859 -31.640 20.351 15.124 1.00 29.54 O ATOM 1079 CB PHE A 859 -30.912 17.926 13.019 1.00 26.87 C ATOM 1080 CG PHE A 859 -29.823 17.563 12.037 1.00 27.27 C ATOM 1081 CD1 PHE A 859 -28.598 17.055 12.478 1.00 29.08 C ATOM 1082 CD2 PHE A 859 -30.060 17.620 10.667 1.00 28.31 C ATOM 1083 CE1 PHE A 859 -27.607 16.675 11.555 1.00 30.30 C ATOM 1084 CE2 PHE A 859 -29.054 17.294 9.753 1.00 30.25 C ATOM 1085 CZ PHE A 859 -27.838 16.821 10.204 1.00 28.68 C ATOM 1086 H PHE A 859 -30.285 16.261 14.882 1.00 0.00 H ATOM 1087 N VAL A 860 -32.591 18.386 15.689 1.00 26.85 N ATOM 1088 CA VAL A 860 -33.713 19.016 16.440 1.00 26.84 C ATOM 1089 C VAL A 860 -33.183 19.696 17.717 1.00 29.56 C ATOM 1090 O VAL A 860 -33.562 20.837 18.008 1.00 29.28 O ATOM 1091 CB VAL A 860 -34.853 17.998 16.762 1.00 30.71 C ATOM 1092 CG1 VAL A 860 -35.962 18.657 17.598 1.00 31.10 C ATOM 1093 CG2 VAL A 860 -35.444 17.465 15.467 1.00 31.12 C ATOM 1094 H VAL A 860 -32.550 17.350 15.612 1.00 0.00 H ATOM 1095 N ARG A 861 -32.286 19.002 18.458 1.00 27.69 N ATOM 1096 CA ARG A 861 -31.694 19.533 19.695 1.00 27.92 C ATOM 1097 C ARG A 861 -31.003 20.884 19.417 1.00 32.58 C ATOM 1098 O ARG A 861 -31.201 21.860 20.150 1.00 32.11 O ATOM 1099 CB ARG A 861 -30.682 18.520 20.225 1.00 28.15 C ATOM 1100 CG ARG A 861 -30.087 18.926 21.552 1.00 41.66 C ATOM 1101 CD ARG A 861 -29.102 17.872 22.026 1.00 49.75 C ATOM 1102 NE ARG A 861 -29.759 16.722 22.640 1.00 51.62 N ATOM 1103 CZ ARG A 861 -30.060 16.650 23.936 1.00 53.10 C ATOM 1104 NH1 ARG A 861 -30.642 15.573 24.424 1.00 41.60 N ATOM 1105 NH2 ARG A 861 -29.796 17.666 24.743 1.00 41.02 N ATOM 1106 HE ARG A 861 -30.006 15.915 22.033 1.00 0.00 H ATOM 1107 HH12 ARG A 861 -30.875 15.521 25.436 1.00 0.00 H ATOM 1108 HH11 ARG A 861 -30.868 14.775 23.797 1.00 0.00 H ATOM 1109 HH22 ARG A 861 -30.034 17.603 25.754 1.00 0.00 H ATOM 1110 HH21 ARG A 861 -29.351 18.527 24.366 1.00 0.00 H ATOM 1111 H ARG A 861 -32.004 18.053 18.138 1.00 0.00 H ATOM 1112 N LEU A 862 -30.236 20.933 18.309 1.00 28.63 N ATOM 1113 CA LEU A 862 -29.472 22.120 17.930 1.00 29.40 C ATOM 1114 C LEU A 862 -30.256 23.150 17.150 1.00 32.00 C ATOM 1115 O LEU A 862 -29.807 24.305 17.042 1.00 31.67 O ATOM 1116 CB LEU A 862 -28.273 21.687 17.057 1.00 28.73 C ATOM 1117 CG LEU A 862 -27.165 20.927 17.745 1.00 34.18 C ATOM 1118 CD1 LEU A 862 -26.355 20.112 16.714 1.00 34.34 C ATOM 1119 CD2 LEU A 862 -26.248 21.887 18.516 1.00 39.88 C ATOM 1120 H LEU A 862 -30.186 20.092 17.699 1.00 0.00 H ATOM 1121 N GLN A 863 -31.407 22.743 16.555 1.00 28.75 N ATOM 1122 CA GLN A 863 -32.151 23.592 15.623 1.00 28.11 C ATOM 1123 C GLN A 863 -31.140 23.998 14.516 1.00 29.67 C ATOM 1124 O GLN A 863 -30.898 25.185 14.251 1.00 27.97 O ATOM 1125 CB GLN A 863 -32.840 24.792 16.307 1.00 30.65 C ATOM 1126 CG GLN A 863 -34.007 24.378 17.239 1.00 31.16 C ATOM 1127 CD GLN A 863 -35.149 23.771 16.446 1.00 43.44 C ATOM 1128 OE1 GLN A 863 -35.837 24.456 15.677 1.00 39.09 O ATOM 1129 NE2 GLN A 863 -35.339 22.455 16.565 1.00 33.56 N ATOM 1130 HE22 GLN A 863 -34.748 21.901 17.218 1.00 0.00 H ATOM 1131 HE21 GLN A 863 -36.078 21.984 16.005 1.00 0.00 H ATOM 1132 H GLN A 863 -31.773 21.793 16.769 1.00 0.00 H ATOM 1133 N LEU A 864 -30.485 22.981 13.953 1.00 28.31 N ATOM 1134 CA LEU A 864 -29.468 23.163 12.900 1.00 27.81 C ATOM 1135 C LEU A 864 -30.013 24.022 11.763 1.00 31.75 C ATOM 1136 O LEU A 864 -31.143 23.808 11.329 1.00 31.36 O ATOM 1137 CB LEU A 864 -29.012 21.787 12.358 1.00 27.13 C ATOM 1138 CG LEU A 864 -27.726 21.807 11.486 1.00 30.19 C ATOM 1139 CD1 LEU A 864 -26.497 22.111 12.338 1.00 30.74 C ATOM 1140 CD2 LEU A 864 -27.518 20.450 10.806 1.00 29.87 C ATOM 1141 H LEU A 864 -30.702 22.015 14.271 1.00 0.00 H ATOM 1142 N THR A 865 -29.229 25.004 11.292 1.00 28.73 N ATOM 1143 CA THR A 865 -29.685 25.851 10.197 1.00 29.06 C ATOM 1144 C THR A 865 -29.216 25.295 8.859 1.00 31.84 C ATOM 1145 O THR A 865 -28.229 24.561 8.813 1.00 30.50 O ATOM 1146 CB THR A 865 -29.222 27.302 10.372 1.00 34.56 C ATOM 1147 OG1 THR A 865 -27.807 27.370 10.146 1.00 33.43 O ATOM 1148 CG2 THR A 865 -29.632 27.906 11.728 1.00 34.60 C ATOM 1149 HG1 THR A 865 -27.501 28.305 10.257 1.00 0.00 H ATOM 1150 H THR A 865 -28.290 25.162 11.711 1.00 0.00 H ATOM 1151 N PHE A 866 -29.873 25.700 7.747 1.00 30.62 N ATOM 1152 CA PHE A 866 -29.435 25.254 6.424 1.00 30.68 C ATOM 1153 C PHE A 866 -27.977 25.677 6.141 1.00 34.18 C ATOM 1154 O PHE A 866 -27.215 24.918 5.560 1.00 33.76 O ATOM 1155 CB PHE A 866 -30.378 25.800 5.333 1.00 34.65 C ATOM 1156 CG PHE A 866 -30.031 25.302 3.952 1.00 37.00 C ATOM 1157 CD1 PHE A 866 -30.106 23.950 3.644 1.00 38.63 C ATOM 1158 CD2 PHE A 866 -29.605 26.183 2.967 1.00 40.93 C ATOM 1159 CE1 PHE A 866 -29.779 23.486 2.357 1.00 40.42 C ATOM 1160 CE2 PHE A 866 -29.295 25.726 1.683 1.00 43.81 C ATOM 1161 CZ PHE A 866 -29.376 24.381 1.390 1.00 41.28 C ATOM 1162 H PHE A 866 -30.694 26.332 7.833 1.00 0.00 H ATOM 1163 N GLU A 867 -27.594 26.885 6.575 1.00 33.23 N ATOM 1164 CA GLU A 867 -26.250 27.440 6.377 1.00 34.21 C ATOM 1165 C GLU A 867 -25.188 26.579 7.095 1.00 34.78 C ATOM 1166 O GLU A 867 -24.137 26.274 6.522 1.00 34.35 O ATOM 1167 CB GLU A 867 -26.224 28.897 6.855 1.00 37.08 C ATOM 1168 CG GLU A 867 -27.111 29.841 6.039 1.00 50.72 C ATOM 1169 CD GLU A 867 -28.630 29.713 6.112 1.00 71.43 C ATOM 1170 OE1 GLU A 867 -29.168 29.264 7.157 1.00 42.99 O ATOM 1171 OE2 GLU A 867 -29.284 30.080 5.107 1.00 69.42 O ATOM 1172 H GLU A 867 -28.292 27.465 7.083 1.00 0.00 H ATOM 1173 N GLU A 868 -25.491 26.141 8.330 1.00 30.15 N ATOM 1174 CA GLU A 868 -24.595 25.252 9.091 1.00 27.73 C ATOM 1175 C GLU A 868 -24.495 23.916 8.396 1.00 30.21 C ATOM 1176 O GLU A 868 -23.394 23.404 8.183 1.00 30.16 O ATOM 1177 CB GLU A 868 -25.133 25.034 10.516 1.00 27.45 C ATOM 1178 CG GLU A 868 -24.916 26.252 11.378 1.00 32.70 C ATOM 1179 CD GLU A 868 -25.713 26.268 12.667 1.00 39.80 C ATOM 1180 OE1 GLU A 868 -25.323 27.037 13.564 1.00 34.73 O ATOM 1181 OE2 GLU A 868 -26.720 25.532 12.783 1.00 30.71 O ATOM 1182 H GLU A 868 -26.388 26.440 8.763 1.00 0.00 H ATOM 1183 N TYR A 869 -25.644 23.369 7.992 1.00 27.09 N ATOM 1184 CA TYR A 869 -25.709 22.078 7.307 1.00 26.93 C ATOM 1185 C TYR A 869 -24.816 22.083 6.050 1.00 30.61 C ATOM 1186 O TYR A 869 -24.060 21.131 5.834 1.00 28.42 O ATOM 1187 CB TYR A 869 -27.170 21.774 6.914 1.00 28.09 C ATOM 1188 CG TYR A 869 -27.305 20.665 5.902 1.00 29.26 C ATOM 1189 CD1 TYR A 869 -27.123 19.333 6.269 1.00 30.03 C ATOM 1190 CD2 TYR A 869 -27.634 20.942 4.574 1.00 32.68 C ATOM 1191 CE1 TYR A 869 -27.240 18.306 5.336 1.00 28.55 C ATOM 1192 CE2 TYR A 869 -27.760 19.920 3.635 1.00 34.72 C ATOM 1193 CZ TYR A 869 -27.562 18.604 4.024 1.00 36.37 C ATOM 1194 OH TYR A 869 -27.665 17.595 3.103 1.00 36.68 O ATOM 1195 HH TYR A 869 -28.576 17.596 2.714 1.00 0.00 H ATOM 1196 H TYR A 869 -26.530 23.882 8.172 1.00 0.00 H ATOM 1197 N THR A 870 -24.931 23.150 5.224 1.00 30.20 N ATOM 1198 CA THR A 870 -24.190 23.273 3.970 1.00 31.83 C ATOM 1199 C THR A 870 -22.685 23.176 4.179 1.00 34.46 C ATOM 1200 O THR A 870 -22.015 22.470 3.423 1.00 33.96 O ATOM 1201 CB THR A 870 -24.616 24.558 3.229 1.00 39.80 C ATOM 1202 OG1 THR A 870 -25.981 24.387 2.856 1.00 40.69 O ATOM 1203 CG2 THR A 870 -23.804 24.792 1.945 1.00 48.25 C ATOM 1204 HG1 THR A 870 -26.530 24.252 3.669 1.00 0.00 H ATOM 1205 H THR A 870 -25.577 23.918 5.495 1.00 0.00 H ATOM 1206 N ILE A 871 -22.152 23.900 5.163 1.00 29.24 N ATOM 1207 CA ILE A 871 -20.704 23.875 5.423 1.00 29.93 C ATOM 1208 C ILE A 871 -20.275 22.544 6.033 1.00 31.27 C ATOM 1209 O ILE A 871 -19.224 22.009 5.656 1.00 30.59 O ATOM 1210 CB ILE A 871 -20.255 25.068 6.289 1.00 33.84 C ATOM 1211 CG1 ILE A 871 -20.657 26.392 5.605 1.00 35.69 C ATOM 1212 CG2 ILE A 871 -18.744 24.994 6.538 1.00 34.86 C ATOM 1213 CD1 ILE A 871 -20.352 27.597 6.443 1.00 42.85 C ATOM 1214 H ILE A 871 -22.769 24.491 5.756 1.00 0.00 H ATOM 1215 N MET A 872 -21.074 22.028 6.981 1.00 26.47 N ATOM 1216 CA MET A 872 -20.815 20.728 7.614 1.00 25.48 C ATOM 1217 C MET A 872 -20.758 19.603 6.579 1.00 30.68 C ATOM 1218 O MET A 872 -19.904 18.725 6.682 1.00 29.48 O ATOM 1219 CB MET A 872 -21.857 20.448 8.708 1.00 25.76 C ATOM 1220 CG MET A 872 -21.619 21.335 9.944 1.00 27.65 C ATOM 1221 SD MET A 872 -23.043 21.236 11.044 1.00 30.24 S ATOM 1222 CE MET A 872 -22.666 19.726 11.892 1.00 27.88 C ATOM 1223 H MET A 872 -21.910 22.571 7.279 1.00 0.00 H ATOM 1224 N LYS A 873 -21.629 19.643 5.557 1.00 27.35 N ATOM 1225 CA LYS A 873 -21.601 18.642 4.479 1.00 27.30 C ATOM 1226 C LYS A 873 -20.234 18.670 3.742 1.00 30.36 C ATOM 1227 O LYS A 873 -19.667 17.627 3.422 1.00 30.06 O ATOM 1228 CB LYS A 873 -22.765 18.908 3.514 1.00 31.24 C ATOM 1229 CG LYS A 873 -23.148 17.694 2.669 1.00 48.17 C ATOM 1230 CD LYS A 873 -24.528 17.876 2.016 1.00 58.16 C ATOM 1231 CE LYS A 873 -24.497 18.579 0.676 1.00 65.42 C ATOM 1232 NZ LYS A 873 -24.438 17.612 -0.466 1.00 69.85 N ATOM 1233 HZ1 LYS A 873 -23.579 17.032 -0.384 1.00 0.00 H ATOM 1234 HZ2 LYS A 873 -25.276 16.997 -0.441 1.00 0.00 H ATOM 1235 HZ3 LYS A 873 -24.418 18.138 -1.363 1.00 0.00 H ATOM 1236 H LYS A 873 -22.341 20.401 5.527 1.00 0.00 H ATOM 1237 N VAL A 874 -19.699 19.875 3.493 1.00 29.21 N ATOM 1238 CA VAL A 874 -18.384 20.008 2.853 1.00 29.21 C ATOM 1239 C VAL A 874 -17.319 19.371 3.757 1.00 30.83 C ATOM 1240 O VAL A 874 -16.471 18.633 3.269 1.00 30.37 O ATOM 1241 CB VAL A 874 -18.028 21.467 2.515 1.00 33.93 C ATOM 1242 CG1 VAL A 874 -16.610 21.542 1.929 1.00 34.58 C ATOM 1243 CG2 VAL A 874 -19.047 22.056 1.544 1.00 34.21 C ATOM 1244 H VAL A 874 -20.226 20.731 3.758 1.00 0.00 H ATOM 1245 N LEU A 875 -17.383 19.634 5.070 1.00 28.44 N ATOM 1246 CA LEU A 875 -16.438 19.057 6.024 1.00 27.37 C ATOM 1247 C LEU A 875 -16.484 17.520 6.003 1.00 30.85 C ATOM 1248 O LEU A 875 -15.436 16.884 6.081 1.00 31.21 O ATOM 1249 CB LEU A 875 -16.689 19.641 7.436 1.00 27.16 C ATOM 1250 CG LEU A 875 -16.239 21.147 7.539 1.00 31.54 C ATOM 1251 CD1 LEU A 875 -16.541 21.753 8.932 1.00 31.57 C ATOM 1252 CD2 LEU A 875 -14.776 21.299 7.209 1.00 33.98 C ATOM 1253 H LEU A 875 -18.129 20.269 5.421 1.00 0.00 H ATOM 1254 N LEU A 876 -17.660 16.925 5.770 1.00 27.14 N ATOM 1255 CA LEU A 876 -17.732 15.447 5.687 1.00 26.32 C ATOM 1256 C LEU A 876 -17.039 14.921 4.405 1.00 30.30 C ATOM 1257 O LEU A 876 -16.390 13.869 4.419 1.00 30.45 O ATOM 1258 CB LEU A 876 -19.183 14.982 5.734 1.00 24.94 C ATOM 1259 CG LEU A 876 -19.847 15.202 7.099 1.00 28.55 C ATOM 1260 CD1 LEU A 876 -21.305 14.814 7.026 1.00 29.42 C ATOM 1261 CD2 LEU A 876 -19.174 14.339 8.187 1.00 28.65 C ATOM 1262 H LEU A 876 -18.520 17.497 5.648 1.00 0.00 H ATOM 1263 N LEU A 877 -17.144 15.671 3.317 1.00 27.86 N ATOM 1264 CA LEU A 877 -16.455 15.312 2.068 1.00 28.41 C ATOM 1265 C LEU A 877 -14.931 15.310 2.304 1.00 32.99 C ATOM 1266 O LEU A 877 -14.201 14.563 1.659 1.00 33.61 O ATOM 1267 CB LEU A 877 -16.829 16.331 0.966 1.00 28.27 C ATOM 1268 CG LEU A 877 -16.048 16.242 -0.371 1.00 32.76 C ATOM 1269 CD1 LEU A 877 -16.283 14.904 -1.094 1.00 32.44 C ATOM 1270 CD2 LEU A 877 -16.357 17.419 -1.251 1.00 33.11 C ATOM 1271 H LEU A 877 -17.726 16.532 3.347 1.00 0.00 H ATOM 1272 N LEU A 878 -14.467 16.150 3.240 1.00 30.47 N ATOM 1273 CA LEU A 878 -13.046 16.297 3.565 1.00 31.66 C ATOM 1274 C LEU A 878 -12.690 15.618 4.910 1.00 35.58 C ATOM 1275 O LEU A 878 -11.701 16.004 5.526 1.00 37.69 O ATOM 1276 CB LEU A 878 -12.709 17.816 3.630 1.00 31.85 C ATOM 1277 CG LEU A 878 -13.102 18.687 2.426 1.00 35.00 C ATOM 1278 CD1 LEU A 878 -12.816 20.158 2.719 1.00 35.65 C ATOM 1279 CD2 LEU A 878 -12.398 18.211 1.102 1.00 35.67 C ATOM 1280 H LEU A 878 -15.153 16.729 3.764 1.00 0.00 H ATOM 1281 N SER A 879 -13.437 14.570 5.327 1.00 31.69 N ATOM 1282 CA SER A 879 -13.239 13.945 6.648 1.00 31.57 C ATOM 1283 C SER A 879 -12.391 12.652 6.689 1.00 35.49 C ATOM 1284 O SER A 879 -12.086 12.185 7.789 1.00 35.61 O ATOM 1285 CB SER A 879 -14.591 13.693 7.325 1.00 34.19 C ATOM 1286 OG SER A 879 -15.358 12.752 6.583 1.00 38.37 O ATOM 1287 HG SER A 879 -15.517 13.103 5.671 1.00 0.00 H ATOM 1288 H SER A 879 -14.174 14.194 4.697 1.00 0.00 H ATOM 1289 N THR A 880 -12.028 12.071 5.530 1.00 31.81 N ATOM 1290 CA THR A 880 -11.192 10.855 5.479 1.00 32.91 C ATOM 1291 C THR A 880 -10.180 10.994 4.356 1.00 37.20 C ATOM 1292 O THR A 880 -10.554 11.345 3.242 1.00 35.52 O ATOM 1293 CB THR A 880 -12.040 9.569 5.304 1.00 38.59 C ATOM 1294 OG1 THR A 880 -12.928 9.434 6.395 1.00 40.08 O ATOM 1295 CG2 THR A 880 -11.184 8.279 5.242 1.00 38.09 C ATOM 1296 HG1 THR A 880 -13.527 10.221 6.431 1.00 0.00 H ATOM 1297 H THR A 880 -12.349 12.495 4.636 1.00 0.00 H ATOM 1298 N ILE A 881 -8.894 10.727 4.642 1.00 36.61 N ATOM 1299 CA ILE A 881 -7.850 10.801 3.610 1.00 37.76 C ATOM 1300 C ILE A 881 -7.048 9.497 3.588 1.00 41.48 C ATOM 1301 O ILE A 881 -7.163 8.720 4.537 1.00 39.84 O ATOM 1302 CB ILE A 881 -6.925 12.042 3.825 1.00 43.10 C ATOM 1303 CG1 ILE A 881 -6.213 12.011 5.212 1.00 44.11 C ATOM 1304 CG2 ILE A 881 -7.697 13.343 3.583 1.00 44.21 C ATOM 1305 CD1 ILE A 881 -5.078 13.063 5.439 1.00 50.00 C ATOM 1306 H ILE A 881 -8.632 10.463 5.613 1.00 0.00 H ATOM 1307 N PRO A 882 -6.191 9.242 2.570 1.00 39.61 N ATOM 1308 CA PRO A 882 -5.352 8.034 2.618 1.00 40.37 C ATOM 1309 C PRO A 882 -4.348 8.115 3.778 1.00 46.44 C ATOM 1310 O PRO A 882 -3.989 9.218 4.208 1.00 43.77 O ATOM 1311 CB PRO A 882 -4.613 8.056 1.268 1.00 43.17 C ATOM 1312 CG PRO A 882 -5.421 8.970 0.389 1.00 45.89 C ATOM 1313 CD PRO A 882 -5.918 10.021 1.347 1.00 41.27 C ATOM 1314 N LYS A 883 -3.903 6.946 4.281 1.00 46.20 N ATOM 1315 CA LYS A 883 -2.936 6.816 5.384 1.00 49.52 C ATOM 1316 C LYS A 883 -1.680 7.678 5.132 1.00 56.42 C ATOM 1317 O LYS A 883 -1.160 8.281 6.071 1.00 57.66 O ATOM 1318 CB LYS A 883 -2.544 5.329 5.558 1.00 53.93 C ATOM 1319 CG LYS A 883 -1.711 5.021 6.805 1.00 72.88 C ATOM 1320 CD LYS A 883 -1.080 3.633 6.734 1.00 83.61 C ATOM 1321 CE LYS A 883 -0.176 3.366 7.918 1.00 97.33 C ATOM 1322 NZ LYS A 883 0.468 2.026 7.840 1.00105.31 N ATOM 1323 HZ1 LYS A 883 -0.267 1.290 7.820 1.00 0.00 H ATOM 1324 HZ2 LYS A 883 1.041 1.968 6.974 1.00 0.00 H ATOM 1325 HZ3 LYS A 883 1.078 1.887 8.671 1.00 0.00 H ATOM 1326 H LYS A 883 -4.270 6.070 3.858 1.00 0.00 H ATOM 1327 N ASP A 884 -1.221 7.745 3.864 1.00 53.37 N ATOM 1328 CA ASP A 884 -0.044 8.508 3.461 1.00 55.22 C ATOM 1329 C ASP A 884 -0.387 9.831 2.753 1.00 57.81 C ATOM 1330 O ASP A 884 0.459 10.418 2.076 1.00 58.64 O ATOM 1331 CB ASP A 884 0.899 7.626 2.621 1.00 58.54 C ATOM 1332 CG ASP A 884 1.501 6.451 3.382 1.00 73.30 C ATOM 1333 OD1 ASP A 884 1.941 6.650 4.542 1.00 73.96 O ATOM 1334 OD2 ASP A 884 1.568 5.340 2.804 1.00 82.84 O ATOM 1335 H ASP A 884 -1.738 7.221 3.129 1.00 0.00 H ATOM 1336 N GLY A 885 -1.613 10.306 2.960 1.00 52.33 N ATOM 1337 CA GLY A 885 -2.087 11.565 2.401 1.00 50.99 C ATOM 1338 C GLY A 885 -2.489 11.509 0.941 1.00 51.88 C ATOM 1339 O GLY A 885 -2.372 10.468 0.282 1.00 50.18 O ATOM 1340 H GLY A 885 -2.265 9.751 3.550 1.00 0.00 H ATOM 1341 N LEU A 886 -2.971 12.647 0.436 1.00 47.01 N ATOM 1342 CA LEU A 886 -3.416 12.829 -0.949 1.00 46.18 C ATOM 1343 C LEU A 886 -2.263 13.282 -1.844 1.00 51.84 C ATOM 1344 O LEU A 886 -1.197 13.644 -1.331 1.00 52.54 O ATOM 1345 CB LEU A 886 -4.534 13.890 -0.977 1.00 44.65 C ATOM 1346 CG LEU A 886 -5.831 13.505 -0.247 1.00 45.68 C ATOM 1347 CD1 LEU A 886 -6.603 14.718 0.146 1.00 44.92 C ATOM 1348 CD2 LEU A 886 -6.702 12.575 -1.094 1.00 44.70 C ATOM 1349 H LEU A 886 -3.036 13.466 1.073 1.00 0.00 H ATOM 1350 N LYS A 887 -2.492 13.306 -3.180 1.00 47.62 N ATOM 1351 CA LYS A 887 -1.503 13.775 -4.154 1.00 49.73 C ATOM 1352 C LYS A 887 -1.186 15.252 -3.882 1.00 53.98 C ATOM 1353 O LYS A 887 -0.017 15.629 -3.879 1.00 54.56 O ATOM 1354 CB LYS A 887 -2.012 13.577 -5.594 1.00 52.31 C ATOM 1355 CG LYS A 887 -0.923 13.758 -6.652 1.00 74.10 C ATOM 1356 CD LYS A 887 -1.498 14.218 -7.979 1.00 85.16 C ATOM 1357 CE LYS A 887 -0.426 14.546 -8.987 1.00 96.16 C ATOM 1358 NZ LYS A 887 -1.008 15.114 -10.230 1.00105.65 N ATOM 1359 HZ1 LYS A 887 -1.660 14.423 -10.653 1.00 0.00 H ATOM 1360 HZ2 LYS A 887 -1.526 15.987 -10.002 1.00 0.00 H ATOM 1361 HZ3 LYS A 887 -0.244 15.329 -10.902 1.00 0.00 H ATOM 1362 H LYS A 887 -3.414 12.976 -3.530 1.00 0.00 H ATOM 1363 N SER A 888 -2.223 16.063 -3.592 1.00 49.97 N ATOM 1364 CA SER A 888 -2.090 17.488 -3.291 1.00 50.82 C ATOM 1365 C SER A 888 -2.511 17.711 -1.836 1.00 52.60 C ATOM 1366 O SER A 888 -3.543 18.342 -1.558 1.00 49.95 O ATOM 1367 CB SER A 888 -2.944 18.301 -4.257 1.00 55.15 C ATOM 1368 OG SER A 888 -2.388 19.577 -4.521 1.00 71.88 O ATOM 1369 HG SER A 888 -2.313 20.085 -3.674 1.00 0.00 H ATOM 1370 H SER A 888 -3.177 15.650 -3.582 1.00 0.00 H ATOM 1371 N GLN A 889 -1.732 17.134 -0.898 1.00 49.64 N ATOM 1372 CA GLN A 889 -2.057 17.192 0.538 1.00 48.78 C ATOM 1373 C GLN A 889 -2.123 18.625 1.100 1.00 51.51 C ATOM 1374 O GLN A 889 -3.009 18.899 1.922 1.00 49.37 O ATOM 1375 CB GLN A 889 -1.091 16.299 1.349 1.00 51.45 C ATOM 1376 CG GLN A 889 -1.422 16.131 2.843 1.00 49.41 C ATOM 1377 CD GLN A 889 -2.778 15.516 3.141 1.00 59.37 C ATOM 1378 OE1 GLN A 889 -3.303 14.671 2.403 1.00 53.42 O ATOM 1379 NE2 GLN A 889 -3.349 15.886 4.277 1.00 55.02 N ATOM 1380 HE22 GLN A 889 -2.891 16.597 4.882 1.00 0.00 H ATOM 1381 HE21 GLN A 889 -4.256 15.465 4.564 1.00 0.00 H ATOM 1382 H GLN A 889 -0.873 16.631 -1.199 1.00 0.00 H ATOM 1383 N ALA A 890 -1.238 19.539 0.627 1.00 49.71 N ATOM 1384 CA ALA A 890 -1.216 20.938 1.087 1.00 51.04 C ATOM 1385 C ALA A 890 -2.452 21.720 0.640 1.00 53.39 C ATOM 1386 O ALA A 890 -3.036 22.447 1.454 1.00 51.72 O ATOM 1387 CB ALA A 890 0.058 21.639 0.623 1.00 54.37 C ATOM 1388 H ALA A 890 -0.547 19.239 -0.090 1.00 0.00 H ATOM 1389 N ALA A 891 -2.866 21.548 -0.641 1.00 49.98 N ATOM 1390 CA ALA A 891 -4.060 22.188 -1.210 1.00 48.92 C ATOM 1391 C ALA A 891 -5.310 21.760 -0.425 1.00 51.04 C ATOM 1392 O ALA A 891 -6.127 22.615 -0.053 1.00 51.52 O ATOM 1393 CB ALA A 891 -4.212 21.814 -2.671 1.00 49.31 C ATOM 1394 H ALA A 891 -2.304 20.926 -1.257 1.00 0.00 H ATOM 1395 N PHE A 892 -5.418 20.447 -0.132 1.00 44.16 N ATOM 1396 CA PHE A 892 -6.502 19.849 0.656 1.00 41.55 C ATOM 1397 C PHE A 892 -6.539 20.464 2.063 1.00 46.16 C ATOM 1398 O PHE A 892 -7.613 20.860 2.508 1.00 44.14 O ATOM 1399 CB PHE A 892 -6.332 18.318 0.761 1.00 42.20 C ATOM 1400 CG PHE A 892 -7.173 17.691 1.854 1.00 41.91 C ATOM 1401 CD1 PHE A 892 -8.494 17.321 1.614 1.00 41.39 C ATOM 1402 CD2 PHE A 892 -6.663 17.524 3.143 1.00 44.37 C ATOM 1403 CE1 PHE A 892 -9.275 16.752 2.630 1.00 40.85 C ATOM 1404 CE2 PHE A 892 -7.460 16.994 4.168 1.00 45.15 C ATOM 1405 CZ PHE A 892 -8.764 16.617 3.905 1.00 40.98 C ATOM 1406 H PHE A 892 -4.678 19.811 -0.492 1.00 0.00 H ATOM 1407 N GLU A 893 -5.374 20.506 2.766 1.00 45.76 N ATOM 1408 CA GLU A 893 -5.276 21.037 4.137 1.00 46.93 C ATOM 1409 C GLU A 893 -5.722 22.481 4.240 1.00 51.14 C ATOM 1410 O GLU A 893 -6.436 22.820 5.187 1.00 49.03 O ATOM 1411 CB GLU A 893 -3.884 20.829 4.742 1.00 49.84 C ATOM 1412 CG GLU A 893 -3.674 19.396 5.220 1.00 57.16 C ATOM 1413 CD GLU A 893 -2.357 19.084 5.902 1.00 81.53 C ATOM 1414 OE1 GLU A 893 -2.008 17.884 5.981 1.00 77.18 O ATOM 1415 OE2 GLU A 893 -1.685 20.026 6.384 1.00 80.17 O ATOM 1416 H GLU A 893 -4.510 20.145 2.313 1.00 0.00 H ATOM 1417 N GLU A 894 -5.364 23.310 3.236 1.00 50.47 N ATOM 1418 CA GLU A 894 -5.769 24.719 3.155 1.00 52.13 C ATOM 1419 C GLU A 894 -7.286 24.798 2.967 1.00 52.88 C ATOM 1420 O GLU A 894 -7.946 25.566 3.664 1.00 51.49 O ATOM 1421 CB GLU A 894 -5.072 25.432 1.983 1.00 55.68 C ATOM 1422 CG GLU A 894 -3.608 25.759 2.213 1.00 73.72 C ATOM 1423 CD GLU A 894 -2.869 26.209 0.966 1.00106.43 C ATOM 1424 OE1 GLU A 894 -3.470 26.935 0.140 1.00110.20 O ATOM 1425 OE2 GLU A 894 -1.682 25.839 0.817 1.00106.42 O ATOM 1426 H GLU A 894 -4.766 22.928 2.475 1.00 0.00 H ATOM 1427 N MET A 895 -7.837 23.980 2.046 1.00 47.85 N ATOM 1428 CA MET A 895 -9.274 23.930 1.775 1.00 46.99 C ATOM 1429 C MET A 895 -10.055 23.549 3.048 1.00 47.47 C ATOM 1430 O MET A 895 -11.009 24.249 3.418 1.00 46.05 O ATOM 1431 CB MET A 895 -9.564 22.929 0.646 1.00 49.70 C ATOM 1432 CG MET A 895 -11.015 22.852 0.287 1.00 53.30 C ATOM 1433 SD MET A 895 -11.332 21.611 -0.970 1.00 58.30 S ATOM 1434 CE MET A 895 -13.107 21.571 -0.877 1.00 54.09 C ATOM 1435 H MET A 895 -7.209 23.354 1.502 1.00 0.00 H ATOM 1436 N ARG A 896 -9.632 22.462 3.722 1.00 42.12 N ATOM 1437 CA ARG A 896 -10.293 21.984 4.942 1.00 39.67 C ATOM 1438 C ARG A 896 -10.253 23.066 6.054 1.00 42.87 C ATOM 1439 O ARG A 896 -11.283 23.331 6.675 1.00 40.70 O ATOM 1440 CB ARG A 896 -9.667 20.665 5.420 1.00 37.92 C ATOM 1441 CG ARG A 896 -10.460 20.042 6.558 1.00 39.53 C ATOM 1442 CD ARG A 896 -10.062 18.609 6.829 1.00 41.54 C ATOM 1443 NE ARG A 896 -10.888 18.036 7.893 1.00 46.51 N ATOM 1444 CZ ARG A 896 -10.549 18.030 9.176 1.00 59.88 C ATOM 1445 NH1 ARG A 896 -9.400 18.564 9.567 1.00 53.22 N ATOM 1446 NH2 ARG A 896 -11.358 17.488 10.079 1.00 50.25 N ATOM 1447 HE ARG A 896 -11.797 17.607 7.627 1.00 0.00 H ATOM 1448 HH12 ARG A 896 -9.139 18.557 10.574 1.00 0.00 H ATOM 1449 HH11 ARG A 896 -8.760 18.990 8.867 1.00 0.00 H ATOM 1450 HH22 ARG A 896 -11.089 17.485 11.084 1.00 0.00 H ATOM 1451 HH21 ARG A 896 -12.261 17.066 9.782 1.00 0.00 H ATOM 1452 H ARG A 896 -8.806 21.942 3.364 1.00 0.00 H ATOM 1453 N THR A 897 -9.078 23.701 6.274 1.00 42.87 N ATOM 1454 CA THR A 897 -8.927 24.785 7.270 1.00 43.09 C ATOM 1455 C THR A 897 -9.883 25.946 6.958 1.00 47.11 C ATOM 1456 O THR A 897 -10.524 26.474 7.872 1.00 46.10 O ATOM 1457 CB THR A 897 -7.445 25.245 7.343 1.00 52.53 C ATOM 1458 OG1 THR A 897 -6.651 24.127 7.721 1.00 52.10 O ATOM 1459 CG2 THR A 897 -7.215 26.387 8.363 1.00 50.36 C ATOM 1460 HG1 THR A 897 -6.752 23.409 7.047 1.00 0.00 H ATOM 1461 H THR A 897 -8.246 23.415 5.719 1.00 0.00 H ATOM 1462 N ASN A 898 -9.978 26.328 5.670 1.00 45.23 N ATOM 1463 CA ASN A 898 -10.855 27.404 5.199 1.00 45.45 C ATOM 1464 C ASN A 898 -12.325 27.123 5.494 1.00 44.04 C ATOM 1465 O ASN A 898 -13.015 28.016 5.980 1.00 42.10 O ATOM 1466 CB ASN A 898 -10.647 27.669 3.712 1.00 48.91 C ATOM 1467 CG ASN A 898 -9.375 28.411 3.369 1.00 71.75 C ATOM 1468 OD1 ASN A 898 -9.017 28.522 2.202 1.00 69.24 O ATOM 1469 ND2 ASN A 898 -8.657 28.930 4.361 1.00 66.80 N ATOM 1470 HD22 ASN A 898 -8.977 28.825 5.345 1.00 0.00 H ATOM 1471 HD21 ASN A 898 -7.775 29.441 4.153 1.00 0.00 H ATOM 1472 H ASN A 898 -9.394 25.830 4.968 1.00 0.00 H ATOM 1473 N TYR A 899 -12.793 25.884 5.248 1.00 38.29 N ATOM 1474 CA TYR A 899 -14.184 25.521 5.565 1.00 37.07 C ATOM 1475 C TYR A 899 -14.451 25.442 7.076 1.00 38.64 C ATOM 1476 O TYR A 899 -15.534 25.826 7.513 1.00 36.74 O ATOM 1477 CB TYR A 899 -14.607 24.236 4.840 1.00 37.27 C ATOM 1478 CG TYR A 899 -14.958 24.497 3.391 1.00 40.18 C ATOM 1479 CD1 TYR A 899 -16.178 25.069 3.041 1.00 42.58 C ATOM 1480 CD2 TYR A 899 -14.055 24.207 2.369 1.00 41.13 C ATOM 1481 CE1 TYR A 899 -16.504 25.326 1.711 1.00 44.35 C ATOM 1482 CE2 TYR A 899 -14.375 24.451 1.030 1.00 42.28 C ATOM 1483 CZ TYR A 899 -15.604 25.006 0.707 1.00 47.99 C ATOM 1484 OH TYR A 899 -15.949 25.241 -0.600 1.00 48.55 O ATOM 1485 HH TYR A 899 -15.298 25.868 -1.004 1.00 0.00 H ATOM 1486 H TYR A 899 -12.162 25.173 4.827 1.00 0.00 H ATOM 1487 N ILE A 900 -13.461 24.990 7.876 1.00 35.96 N ATOM 1488 CA ILE A 900 -13.603 24.945 9.341 1.00 35.19 C ATOM 1489 C ILE A 900 -13.753 26.395 9.853 1.00 40.23 C ATOM 1490 O ILE A 900 -14.629 26.670 10.679 1.00 38.17 O ATOM 1491 CB ILE A 900 -12.410 24.210 10.029 1.00 38.46 C ATOM 1492 CG1 ILE A 900 -12.369 22.709 9.632 1.00 36.05 C ATOM 1493 CG2 ILE A 900 -12.486 24.364 11.574 1.00 39.59 C ATOM 1494 CD1 ILE A 900 -11.058 22.019 9.908 1.00 42.32 C ATOM 1495 H ILE A 900 -12.572 24.664 7.445 1.00 0.00 H ATOM 1496 N LYS A 901 -12.909 27.316 9.332 1.00 39.37 N ATOM 1497 CA LYS A 901 -12.954 28.738 9.691 1.00 40.28 C ATOM 1498 C LYS A 901 -14.272 29.367 9.255 1.00 42.60 C ATOM 1499 O LYS A 901 -14.813 30.172 9.997 1.00 42.66 O ATOM 1500 CB LYS A 901 -11.760 29.489 9.085 1.00 44.57 C ATOM 1501 CG LYS A 901 -10.466 29.261 9.858 1.00 63.78 C ATOM 1502 CD LYS A 901 -9.303 30.091 9.314 1.00 74.27 C ATOM 1503 CE LYS A 901 -8.024 29.771 10.053 1.00 78.63 C ATOM 1504 NZ LYS A 901 -6.879 30.578 9.559 1.00 83.68 N ATOM 1505 HZ1 LYS A 901 -6.729 30.382 8.549 1.00 0.00 H ATOM 1506 HZ2 LYS A 901 -7.086 31.589 9.690 1.00 0.00 H ATOM 1507 HZ3 LYS A 901 -6.023 30.326 10.093 1.00 0.00 H ATOM 1508 H LYS A 901 -12.195 27.001 8.645 1.00 0.00 H ATOM 1509 N GLU A 902 -14.812 28.967 8.088 1.00 39.14 N ATOM 1510 CA GLU A 902 -16.094 29.468 7.578 1.00 39.75 C ATOM 1511 C GLU A 902 -17.226 29.055 8.536 1.00 39.76 C ATOM 1512 O GLU A 902 -18.072 29.877 8.866 1.00 38.14 O ATOM 1513 CB GLU A 902 -16.381 28.892 6.183 1.00 42.14 C ATOM 1514 CG GLU A 902 -17.390 29.711 5.390 1.00 61.48 C ATOM 1515 CD GLU A 902 -17.595 29.305 3.942 1.00 96.99 C ATOM 1516 OE1 GLU A 902 -16.610 28.895 3.284 1.00 97.59 O ATOM 1517 OE2 GLU A 902 -18.737 29.452 3.448 1.00 97.32 O ATOM 1518 H GLU A 902 -14.294 28.267 7.519 1.00 0.00 H ATOM 1519 N LEU A 903 -17.202 27.813 9.007 1.00 35.14 N ATOM 1520 CA LEU A 903 -18.223 27.367 9.955 1.00 33.59 C ATOM 1521 C LEU A 903 -18.090 28.128 11.280 1.00 35.55 C ATOM 1522 O LEU A 903 -19.084 28.617 11.817 1.00 34.49 O ATOM 1523 CB LEU A 903 -18.085 25.870 10.198 1.00 33.13 C ATOM 1524 CG LEU A 903 -19.116 25.267 11.154 1.00 35.89 C ATOM 1525 CD1 LEU A 903 -20.554 25.495 10.628 1.00 35.34 C ATOM 1526 CD2 LEU A 903 -18.865 23.789 11.307 1.00 36.44 C ATOM 1527 H LEU A 903 -16.456 27.156 8.701 1.00 0.00 H ATOM 1528 N ARG A 904 -16.868 28.209 11.806 1.00 34.43 N ATOM 1529 CA ARG A 904 -16.593 28.893 13.076 1.00 34.05 C ATOM 1530 C ARG A 904 -17.042 30.349 13.048 1.00 37.87 C ATOM 1531 O ARG A 904 -17.714 30.807 13.973 1.00 37.83 O ATOM 1532 CB ARG A 904 -15.095 28.789 13.404 1.00 36.90 C ATOM 1533 CG ARG A 904 -14.737 29.375 14.767 1.00 44.31 C ATOM 1534 CD ARG A 904 -13.254 29.233 15.103 1.00 55.11 C ATOM 1535 NE ARG A 904 -12.323 29.586 14.027 1.00 60.94 N ATOM 1536 CZ ARG A 904 -11.978 30.827 13.683 1.00 71.07 C ATOM 1537 NH1 ARG A 904 -12.557 31.871 14.261 1.00 50.24 N ATOM 1538 NH2 ARG A 904 -11.091 31.030 12.722 1.00 57.20 N ATOM 1539 HE ARG A 904 -11.897 28.805 13.488 1.00 0.00 H ATOM 1540 HH12 ARG A 904 -12.282 32.836 13.987 1.00 0.00 H ATOM 1541 HH11 ARG A 904 -13.286 31.725 14.988 1.00 0.00 H ATOM 1542 HH22 ARG A 904 -10.825 32.000 12.457 1.00 0.00 H ATOM 1543 HH21 ARG A 904 -10.660 30.220 12.232 1.00 0.00 H ATOM 1544 H ARG A 904 -16.076 27.769 11.295 1.00 0.00 H ATOM 1545 N LYS A 905 -16.691 31.068 11.990 1.00 35.27 N ATOM 1546 CA LYS A 905 -17.069 32.480 11.855 1.00 36.91 C ATOM 1547 C LYS A 905 -18.585 32.652 11.754 1.00 39.93 C ATOM 1548 O LYS A 905 -19.137 33.473 12.465 1.00 38.49 O ATOM 1549 CB LYS A 905 -16.326 33.137 10.682 1.00 41.50 C ATOM 1550 CG LYS A 905 -14.846 33.352 10.976 1.00 58.34 C ATOM 1551 CD LYS A 905 -14.055 33.715 9.721 1.00 71.30 C ATOM 1552 CE LYS A 905 -12.583 33.875 10.011 1.00 82.36 C ATOM 1553 NZ LYS A 905 -11.755 33.626 8.801 1.00 92.32 N ATOM 1554 HZ1 LYS A 905 -11.920 32.656 8.463 1.00 0.00 H ATOM 1555 HZ2 LYS A 905 -12.019 34.303 8.057 1.00 0.00 H ATOM 1556 HZ3 LYS A 905 -10.750 33.745 9.040 1.00 0.00 H ATOM 1557 H LYS A 905 -16.133 30.619 11.236 1.00 0.00 H ATOM 1558 N MET A 906 -19.264 31.798 10.978 1.00 36.84 N ATOM 1559 CA MET A 906 -20.723 31.837 10.807 1.00 37.83 C ATOM 1560 C MET A 906 -21.451 31.648 12.162 1.00 39.13 C ATOM 1561 O MET A 906 -22.373 32.400 12.518 1.00 39.52 O ATOM 1562 CB MET A 906 -21.114 30.747 9.806 1.00 40.96 C ATOM 1563 CG MET A 906 -22.572 30.369 9.822 1.00 47.23 C ATOM 1564 SD MET A 906 -22.871 28.879 8.866 1.00 53.86 S ATOM 1565 CE MET A 906 -22.802 29.629 7.204 1.00 52.86 C ATOM 1566 H MET A 906 -18.729 31.066 10.468 1.00 0.00 H ATOM 1567 N VAL A 907 -20.992 30.661 12.925 1.00 32.74 N ATOM 1568 CA VAL A 907 -21.577 30.326 14.223 1.00 31.43 C ATOM 1569 C VAL A 907 -21.326 31.430 15.260 1.00 35.17 C ATOM 1570 O VAL A 907 -22.267 31.891 15.900 1.00 34.25 O ATOM 1571 CB VAL A 907 -21.083 28.928 14.704 1.00 33.54 C ATOM 1572 CG1 VAL A 907 -21.541 28.642 16.141 1.00 32.54 C ATOM 1573 CG2 VAL A 907 -21.564 27.817 13.767 1.00 32.35 C ATOM 1574 H VAL A 907 -20.183 30.103 12.585 1.00 0.00 H ATOM 1575 N THR A 908 -20.060 31.859 15.421 1.00 34.00 N ATOM 1576 CA THR A 908 -19.702 32.845 16.456 1.00 35.12 C ATOM 1577 C THR A 908 -20.211 34.255 16.133 1.00 39.22 C ATOM 1578 O THR A 908 -20.456 35.029 17.048 1.00 39.52 O ATOM 1579 CB THR A 908 -18.184 32.785 16.749 1.00 44.08 C ATOM 1580 OG1 THR A 908 -17.458 33.086 15.555 1.00 40.70 O ATOM 1581 CG2 THR A 908 -17.749 31.389 17.263 1.00 41.80 C ATOM 1582 HG1 THR A 908 -17.687 32.424 14.855 1.00 0.00 H ATOM 1583 H THR A 908 -19.315 31.485 14.799 1.00 0.00 H ATOM 1584 N LYS A 909 -20.404 34.580 14.849 1.00 38.43 N ATOM 1585 CA LYS A 909 -20.869 35.918 14.476 1.00 40.72 C ATOM 1586 C LYS A 909 -22.394 36.048 14.492 1.00 46.34 C ATOM 1587 O LYS A 909 -22.897 37.164 14.591 1.00 47.43 O ATOM 1588 CB LYS A 909 -20.262 36.343 13.130 1.00 44.77 C ATOM 1589 CG LYS A 909 -18.785 36.682 13.289 1.00 57.13 C ATOM 1590 CD LYS A 909 -18.068 36.913 11.976 1.00 68.25 C ATOM 1591 CE LYS A 909 -16.600 37.215 12.196 1.00 77.48 C ATOM 1592 NZ LYS A 909 -16.385 38.534 12.853 1.00 88.48 N ATOM 1593 HZ1 LYS A 909 -16.783 39.287 12.255 1.00 0.00 H ATOM 1594 HZ2 LYS A 909 -16.857 38.540 13.780 1.00 0.00 H ATOM 1595 HZ3 LYS A 909 -15.365 38.694 12.981 1.00 0.00 H ATOM 1596 H LYS A 909 -20.222 33.874 14.107 1.00 0.00 H ATOM 1597 N SER A 910 -23.128 34.919 14.445 1.00 41.64 N ATOM 1598 CA SER A 910 -24.592 34.950 14.429 1.00 41.26 C ATOM 1599 C SER A 910 -25.229 35.439 15.729 1.00 44.75 C ATOM 1600 O SER A 910 -24.926 34.899 16.800 1.00 42.58 O ATOM 1601 CB SER A 910 -25.178 33.598 14.027 1.00 42.52 C ATOM 1602 OG SER A 910 -26.579 33.608 14.261 1.00 46.76 O ATOM 1603 HG SER A 910 -26.962 32.733 14.001 1.00 0.00 H ATOM 1604 H SER A 910 -22.641 34.000 14.419 1.00 0.00 H ATOM 1605 N PRO A 911 -26.174 36.411 15.636 1.00 43.99 N ATOM 1606 CA PRO A 911 -26.857 36.906 16.848 1.00 44.26 C ATOM 1607 C PRO A 911 -27.790 35.870 17.475 1.00 46.10 C ATOM 1608 O PRO A 911 -28.118 35.981 18.652 1.00 44.41 O ATOM 1609 CB PRO A 911 -27.633 38.133 16.348 1.00 47.69 C ATOM 1610 CG PRO A 911 -27.069 38.435 14.993 1.00 52.92 C ATOM 1611 CD PRO A 911 -26.640 37.137 14.437 1.00 47.36 C ATOM 1612 N ASN A 912 -28.150 34.814 16.718 1.00 42.57 N ATOM 1613 CA ASN A 912 -28.999 33.754 17.245 1.00 41.88 C ATOM 1614 C ASN A 912 -28.267 32.880 18.258 1.00 42.52 C ATOM 1615 O ASN A 912 -28.908 32.131 18.998 1.00 42.76 O ATOM 1616 CB ASN A 912 -29.543 32.898 16.108 1.00 48.59 C ATOM 1617 CG ASN A 912 -30.339 33.667 15.070 1.00 78.18 C ATOM 1618 OD1 ASN A 912 -30.011 33.655 13.879 1.00 71.77 O ATOM 1619 ND2 ASN A 912 -31.404 34.347 15.493 1.00 72.58 N ATOM 1620 HD22 ASN A 912 -31.658 34.340 16.501 1.00 0.00 H ATOM 1621 HD21 ASN A 912 -31.981 34.884 14.815 1.00 0.00 H ATOM 1622 H ASN A 912 -27.814 34.755 15.736 1.00 0.00 H ATOM 1623 N ASN A 913 -26.919 32.948 18.270 1.00 35.75 N ATOM 1624 CA ASN A 913 -26.097 32.118 19.145 1.00 33.95 C ATOM 1625 C ASN A 913 -25.468 32.872 20.299 1.00 35.29 C ATOM 1626 O ASN A 913 -24.686 32.270 21.021 1.00 34.38 O ATOM 1627 CB ASN A 913 -24.998 31.436 18.319 1.00 32.55 C ATOM 1628 CG ASN A 913 -25.535 30.672 17.143 1.00 40.31 C ATOM 1629 OD1 ASN A 913 -26.636 30.118 17.201 1.00 36.54 O ATOM 1630 ND2 ASN A 913 -24.757 30.604 16.070 1.00 31.84 N ATOM 1631 HD22 ASN A 913 -23.836 31.087 16.064 1.00 0.00 H ATOM 1632 HD21 ASN A 913 -25.069 30.068 15.235 1.00 0.00 H ATOM 1633 H ASN A 913 -26.447 33.619 17.630 1.00 0.00 H ATOM 1634 N SER A 914 -25.787 34.181 20.466 1.00 33.61 N ATOM 1635 CA SER A 914 -25.203 35.037 21.500 1.00 32.28 C ATOM 1636 C SER A 914 -25.211 34.385 22.866 1.00 36.03 C ATOM 1637 O SER A 914 -26.221 33.814 23.271 1.00 34.96 O ATOM 1638 CB SER A 914 -25.909 36.392 21.566 1.00 36.78 C ATOM 1639 OG SER A 914 -25.871 37.028 20.301 1.00 43.20 O ATOM 1640 HG SER A 914 -24.929 37.167 20.031 1.00 0.00 H ATOM 1641 H SER A 914 -26.487 34.600 19.822 1.00 0.00 H ATOM 1642 N GLY A 915 -24.066 34.436 23.535 1.00 33.04 N ATOM 1643 CA GLY A 915 -23.891 33.877 24.868 1.00 33.40 C ATOM 1644 C GLY A 915 -23.415 32.433 24.874 1.00 35.81 C ATOM 1645 O GLY A 915 -22.941 31.959 25.903 1.00 35.49 O ATOM 1646 H GLY A 915 -23.252 34.899 23.084 1.00 0.00 H ATOM 1647 N GLN A 916 -23.530 31.722 23.741 1.00 30.93 N ATOM 1648 CA GLN A 916 -23.155 30.303 23.671 1.00 31.94 C ATOM 1649 C GLN A 916 -22.622 29.867 22.311 1.00 33.34 C ATOM 1650 O GLN A 916 -22.657 28.676 21.993 1.00 31.17 O ATOM 1651 CB GLN A 916 -24.359 29.425 24.081 1.00 34.07 C ATOM 1652 CG GLN A 916 -25.641 29.721 23.321 1.00 49.07 C ATOM 1653 CD GLN A 916 -26.871 29.111 23.962 1.00 73.18 C ATOM 1654 OE1 GLN A 916 -27.730 28.557 23.276 1.00 71.82 O ATOM 1655 NE2 GLN A 916 -27.007 29.226 25.280 1.00 65.88 N ATOM 1656 HE22 GLN A 916 -26.268 29.698 25.840 1.00 0.00 H ATOM 1657 HE21 GLN A 916 -27.852 28.844 25.751 1.00 0.00 H ATOM 1658 H GLN A 916 -23.896 32.190 22.887 1.00 0.00 H ATOM 1659 N SER A 917 -22.091 30.811 21.515 1.00 30.24 N ATOM 1660 CA SER A 917 -21.664 30.487 20.162 1.00 29.37 C ATOM 1661 C SER A 917 -20.467 29.529 20.100 1.00 31.60 C ATOM 1662 O SER A 917 -20.477 28.644 19.261 1.00 31.59 O ATOM 1663 CB SER A 917 -21.410 31.759 19.363 1.00 31.29 C ATOM 1664 OG SER A 917 -20.242 32.421 19.818 1.00 33.80 O ATOM 1665 HG SER A 917 -20.100 33.242 19.284 1.00 0.00 H ATOM 1666 H SER A 917 -21.984 31.783 21.870 1.00 0.00 H ATOM 1667 N TRP A 918 -19.450 29.700 20.974 1.00 29.37 N ATOM 1668 CA TRP A 918 -18.303 28.786 20.966 1.00 30.79 C ATOM 1669 C TRP A 918 -18.727 27.370 21.414 1.00 33.21 C ATOM 1670 O TRP A 918 -18.295 26.382 20.810 1.00 32.14 O ATOM 1671 CB TRP A 918 -17.189 29.338 21.837 1.00 33.24 C ATOM 1672 CG TRP A 918 -16.359 30.379 21.148 1.00 37.87 C ATOM 1673 CD1 TRP A 918 -16.525 31.723 21.195 1.00 41.60 C ATOM 1674 CD2 TRP A 918 -15.346 30.138 20.174 1.00 40.61 C ATOM 1675 NE1 TRP A 918 -15.557 32.346 20.443 1.00 42.38 N ATOM 1676 CE2 TRP A 918 -14.832 31.396 19.787 1.00 46.32 C ATOM 1677 CE3 TRP A 918 -14.824 28.974 19.575 1.00 42.79 C ATOM 1678 CZ2 TRP A 918 -13.810 31.525 18.834 1.00 48.04 C ATOM 1679 CZ3 TRP A 918 -13.811 29.106 18.639 1.00 46.04 C ATOM 1680 CH2 TRP A 918 -13.313 30.366 18.282 1.00 47.88 C ATOM 1681 HE1 TRP A 918 -15.403 33.373 20.384 1.00 0.00 H ATOM 1682 H TRP A 918 -19.481 30.484 21.656 1.00 0.00 H ATOM 1683 N GLN A 919 -19.613 27.274 22.436 1.00 31.22 N ATOM 1684 CA GLN A 919 -20.150 25.953 22.844 1.00 31.40 C ATOM 1685 C GLN A 919 -20.910 25.329 21.665 1.00 32.21 C ATOM 1686 O GLN A 919 -20.782 24.131 21.419 1.00 30.57 O ATOM 1687 CB GLN A 919 -21.096 26.074 24.050 1.00 33.42 C ATOM 1688 CG GLN A 919 -20.378 26.324 25.379 1.00 56.77 C ATOM 1689 CD GLN A 919 -21.280 26.231 26.602 1.00 84.78 C ATOM 1690 OE1 GLN A 919 -20.842 25.827 27.691 1.00 81.22 O ATOM 1691 NE2 GLN A 919 -22.554 26.609 26.469 1.00 76.64 N ATOM 1692 HE22 GLN A 919 -22.903 26.945 25.549 1.00 0.00 H ATOM 1693 HE21 GLN A 919 -23.197 26.568 27.286 1.00 0.00 H ATOM 1694 H GLN A 919 -19.918 28.133 22.937 1.00 0.00 H ATOM 1695 N ARG A 920 -21.683 26.134 20.915 1.00 28.99 N ATOM 1696 CA ARG A 920 -22.408 25.598 19.759 1.00 28.79 C ATOM 1697 C ARG A 920 -21.445 25.068 18.685 1.00 30.80 C ATOM 1698 O ARG A 920 -21.637 23.960 18.175 1.00 29.46 O ATOM 1699 CB ARG A 920 -23.378 26.631 19.174 1.00 28.47 C ATOM 1700 CG ARG A 920 -24.147 26.062 17.967 1.00 28.68 C ATOM 1701 CD ARG A 920 -25.042 27.115 17.338 1.00 32.85 C ATOM 1702 NE ARG A 920 -25.875 26.564 16.263 1.00 30.19 N ATOM 1703 CZ ARG A 920 -27.025 25.916 16.450 1.00 35.58 C ATOM 1704 NH1 ARG A 920 -27.482 25.695 17.684 1.00 31.10 N ATOM 1705 NH2 ARG A 920 -27.723 25.482 15.408 1.00 31.98 N ATOM 1706 HE ARG A 920 -25.544 26.688 15.285 1.00 0.00 H ATOM 1707 HH12 ARG A 920 -28.380 25.189 17.823 1.00 0.00 H ATOM 1708 HH11 ARG A 920 -26.940 26.029 18.507 1.00 0.00 H ATOM 1709 HH22 ARG A 920 -28.620 24.977 15.557 1.00 0.00 H ATOM 1710 HH21 ARG A 920 -27.373 25.647 14.443 1.00 0.00 H ATOM 1711 H ARG A 920 -21.767 27.142 21.156 1.00 0.00 H ATOM 1712 N PHE A 921 -20.395 25.840 18.361 1.00 27.79 N ATOM 1713 CA PHE A 921 -19.390 25.406 17.382 1.00 28.33 C ATOM 1714 C PHE A 921 -18.791 24.048 17.813 1.00 32.04 C ATOM 1715 O PHE A 921 -18.672 23.134 16.983 1.00 32.12 O ATOM 1716 CB PHE A 921 -18.293 26.477 17.190 1.00 30.93 C ATOM 1717 CG PHE A 921 -17.195 25.997 16.266 1.00 32.06 C ATOM 1718 CD1 PHE A 921 -17.450 25.764 14.912 1.00 33.52 C ATOM 1719 CD2 PHE A 921 -15.903 25.798 16.740 1.00 35.51 C ATOM 1720 CE1 PHE A 921 -16.432 25.335 14.057 1.00 34.28 C ATOM 1721 CE2 PHE A 921 -14.887 25.362 15.881 1.00 38.13 C ATOM 1722 CZ PHE A 921 -15.161 25.138 14.548 1.00 35.45 C ATOM 1723 H PHE A 921 -20.291 26.770 18.815 1.00 0.00 H ATOM 1724 N TYR A 922 -18.483 23.896 19.105 1.00 29.44 N ATOM 1725 CA TYR A 922 -17.920 22.637 19.583 1.00 29.99 C ATOM 1726 C TYR A 922 -18.958 21.505 19.587 1.00 31.68 C ATOM 1727 O TYR A 922 -18.573 20.352 19.401 1.00 31.04 O ATOM 1728 CB TYR A 922 -17.205 22.828 20.926 1.00 32.67 C ATOM 1729 CG TYR A 922 -15.950 23.665 20.762 1.00 35.79 C ATOM 1730 CD1 TYR A 922 -14.962 23.307 19.845 1.00 38.67 C ATOM 1731 CD2 TYR A 922 -15.753 24.817 21.517 1.00 37.41 C ATOM 1732 CE1 TYR A 922 -13.812 24.078 19.683 1.00 40.50 C ATOM 1733 CE2 TYR A 922 -14.619 25.609 21.344 1.00 39.26 C ATOM 1734 CZ TYR A 922 -13.637 25.219 20.447 1.00 47.61 C ATOM 1735 OH TYR A 922 -12.506 25.984 20.292 1.00 49.26 O ATOM 1736 HH TYR A 922 -11.915 25.564 19.618 1.00 0.00 H ATOM 1737 H TYR A 922 -18.645 24.677 19.772 1.00 0.00 H ATOM 1738 N GLN A 923 -20.259 21.825 19.678 1.00 28.86 N ATOM 1739 CA GLN A 923 -21.294 20.786 19.577 1.00 28.57 C ATOM 1740 C GLN A 923 -21.415 20.334 18.123 1.00 31.31 C ATOM 1741 O GLN A 923 -21.640 19.153 17.864 1.00 30.25 O ATOM 1742 CB GLN A 923 -22.657 21.257 20.116 1.00 29.27 C ATOM 1743 CG GLN A 923 -22.742 21.287 21.652 1.00 39.82 C ATOM 1744 CD GLN A 923 -22.445 19.952 22.319 1.00 56.95 C ATOM 1745 OE1 GLN A 923 -21.479 19.812 23.074 1.00 53.37 O ATOM 1746 NE2 GLN A 923 -23.250 18.932 22.042 1.00 48.37 N ATOM 1747 HE22 GLN A 923 -24.060 19.067 21.404 1.00 0.00 H ATOM 1748 HE21 GLN A 923 -23.070 17.998 22.464 1.00 0.00 H ATOM 1749 H GLN A 923 -20.537 22.817 19.821 1.00 0.00 H ATOM 1750 N LEU A 924 -21.250 21.272 17.168 1.00 27.74 N ATOM 1751 CA LEU A 924 -21.324 20.941 15.737 1.00 27.38 C ATOM 1752 C LEU A 924 -20.140 20.059 15.329 1.00 30.47 C ATOM 1753 O LEU A 924 -20.326 19.072 14.604 1.00 29.61 O ATOM 1754 CB LEU A 924 -21.379 22.223 14.871 1.00 28.00 C ATOM 1755 CG LEU A 924 -22.589 23.144 15.096 1.00 31.06 C ATOM 1756 CD1 LEU A 924 -22.550 24.325 14.153 1.00 31.83 C ATOM 1757 CD2 LEU A 924 -23.917 22.403 14.906 1.00 30.32 C ATOM 1758 H LEU A 924 -21.066 22.256 17.451 1.00 0.00 H ATOM 1759 N THR A 925 -18.931 20.383 15.823 1.00 28.83 N ATOM 1760 CA THR A 925 -17.738 19.600 15.489 1.00 29.57 C ATOM 1761 C THR A 925 -17.788 18.221 16.175 1.00 32.99 C ATOM 1762 O THR A 925 -17.337 17.238 15.584 1.00 31.90 O ATOM 1763 CB THR A 925 -16.436 20.377 15.719 1.00 38.44 C ATOM 1764 OG1 THR A 925 -16.374 20.797 17.081 1.00 34.36 O ATOM 1765 CG2 THR A 925 -16.310 21.593 14.775 1.00 38.17 C ATOM 1766 HG1 THR A 925 -16.396 20.003 17.671 1.00 0.00 H ATOM 1767 H THR A 925 -18.841 21.205 16.454 1.00 0.00 H ATOM 1768 N LYS A 926 -18.404 18.135 17.369 1.00 29.99 N ATOM 1769 CA LYS A 926 -18.613 16.838 18.037 1.00 30.06 C ATOM 1770 C LYS A 926 -19.604 16.002 17.218 1.00 33.09 C ATOM 1771 O LYS A 926 -19.412 14.779 17.064 1.00 32.10 O ATOM 1772 CB LYS A 926 -19.151 17.024 19.478 1.00 33.26 C ATOM 1773 CG LYS A 926 -18.063 17.057 20.541 1.00 58.94 C ATOM 1774 CD LYS A 926 -17.503 15.655 20.838 1.00 74.54 C ATOM 1775 CE LYS A 926 -16.377 15.666 21.845 1.00 84.39 C ATOM 1776 NZ LYS A 926 -15.727 14.332 21.962 1.00 88.30 N ATOM 1777 HZ1 LYS A 926 -16.431 13.630 22.267 1.00 0.00 H ATOM 1778 HZ2 LYS A 926 -15.337 14.055 21.038 1.00 0.00 H ATOM 1779 HZ3 LYS A 926 -14.960 14.382 22.663 1.00 0.00 H ATOM 1780 H LYS A 926 -18.740 19.004 17.831 1.00 0.00 H ATOM 1781 N LEU A 927 -20.648 16.651 16.666 1.00 29.47 N ATOM 1782 CA LEU A 927 -21.621 15.948 15.814 1.00 29.15 C ATOM 1783 C LEU A 927 -20.922 15.388 14.547 1.00 32.33 C ATOM 1784 O LEU A 927 -21.180 14.247 14.175 1.00 33.05 O ATOM 1785 CB LEU A 927 -22.799 16.876 15.461 1.00 28.66 C ATOM 1786 CG LEU A 927 -23.920 16.319 14.554 1.00 33.86 C ATOM 1787 CD1 LEU A 927 -24.473 15.015 15.088 1.00 37.04 C ATOM 1788 CD2 LEU A 927 -25.070 17.337 14.415 1.00 35.23 C ATOM 1789 H LEU A 927 -20.769 17.668 16.845 1.00 0.00 H ATOM 1790 N LEU A 928 -19.980 16.141 13.952 1.00 29.41 N ATOM 1791 CA LEU A 928 -19.206 15.685 12.778 1.00 30.30 C ATOM 1792 C LEU A 928 -18.367 14.456 13.148 1.00 34.47 C ATOM 1793 O LEU A 928 -18.375 13.452 12.420 1.00 33.37 O ATOM 1794 CB LEU A 928 -18.310 16.806 12.222 1.00 31.09 C ATOM 1795 CG LEU A 928 -19.092 17.935 11.518 1.00 34.73 C ATOM 1796 CD1 LEU A 928 -18.173 19.057 11.093 1.00 35.93 C ATOM 1797 CD2 LEU A 928 -19.871 17.398 10.304 1.00 37.53 C ATOM 1798 H LEU A 928 -19.787 17.088 14.336 1.00 0.00 H ATOM 1799 N ASP A 929 -17.711 14.503 14.317 1.00 31.18 N ATOM 1800 CA ASP A 929 -16.934 13.348 14.811 1.00 32.33 C ATOM 1801 C ASP A 929 -17.836 12.135 15.017 1.00 36.17 C ATOM 1802 O ASP A 929 -17.425 11.030 14.655 1.00 36.35 O ATOM 1803 CB ASP A 929 -16.202 13.689 16.122 1.00 34.82 C ATOM 1804 CG ASP A 929 -14.973 14.572 15.983 1.00 38.47 C ATOM 1805 OD1 ASP A 929 -14.598 14.899 14.833 1.00 37.19 O ATOM 1806 OD2 ASP A 929 -14.360 14.902 17.025 1.00 40.12 O ATOM 1807 H ASP A 929 -17.750 15.371 14.888 1.00 0.00 H ATOM 1808 N SER A 930 -19.055 12.325 15.568 1.00 33.32 N ATOM 1809 CA SER A 930 -20.003 11.222 15.810 1.00 33.23 C ATOM 1810 C SER A 930 -20.473 10.558 14.501 1.00 36.36 C ATOM 1811 O SER A 930 -20.845 9.374 14.502 1.00 34.50 O ATOM 1812 CB SER A 930 -21.186 11.684 16.652 1.00 35.80 C ATOM 1813 OG SER A 930 -22.120 12.417 15.880 1.00 37.92 O ATOM 1814 HG SER A 930 -21.676 13.215 15.498 1.00 0.00 H ATOM 1815 H SER A 930 -19.337 13.291 15.833 1.00 0.00 H ATOM 1816 N MET A 931 -20.415 11.310 13.377 1.00 32.21 N ATOM 1817 CA MET A 931 -20.754 10.766 12.040 1.00 30.48 C ATOM 1818 C MET A 931 -19.765 9.631 11.678 1.00 37.30 C ATOM 1819 O MET A 931 -20.200 8.652 11.072 1.00 36.10 O ATOM 1820 CB MET A 931 -20.716 11.876 10.952 1.00 31.72 C ATOM 1821 CG MET A 931 -21.864 12.876 11.052 1.00 33.55 C ATOM 1822 SD MET A 931 -23.485 12.097 10.842 1.00 37.14 S ATOM 1823 CE MET A 931 -23.427 11.665 9.116 1.00 34.10 C ATOM 1824 H MET A 931 -20.122 12.305 13.454 1.00 0.00 H ATOM 1825 N HIS A 932 -18.463 9.722 12.084 1.00 34.42 N ATOM 1826 CA HIS A 932 -17.486 8.651 11.781 1.00 35.15 C ATOM 1827 C HIS A 932 -17.931 7.280 12.309 1.00 37.93 C ATOM 1828 O HIS A 932 -17.835 6.286 11.586 1.00 36.34 O ATOM 1829 CB HIS A 932 -16.049 8.981 12.272 1.00 36.89 C ATOM 1830 CG HIS A 932 -15.258 9.901 11.367 1.00 40.87 C ATOM 1831 ND1 HIS A 932 -15.071 9.620 10.014 1.00 42.75 N ATOM 1832 CD2 HIS A 932 -14.556 11.020 11.674 1.00 42.56 C ATOM 1833 CE1 HIS A 932 -14.298 10.590 9.547 1.00 41.91 C ATOM 1834 NE2 HIS A 932 -13.963 11.456 10.513 1.00 42.23 N ATOM 1835 H HIS A 932 -18.152 10.560 12.616 1.00 0.00 H ATOM 1836 N ASP A 933 -18.427 7.230 13.554 1.00 35.31 N ATOM 1837 CA ASP A 933 -18.872 5.998 14.209 1.00 36.25 C ATOM 1838 C ASP A 933 -20.082 5.376 13.519 1.00 37.44 C ATOM 1839 O ASP A 933 -20.060 4.182 13.182 1.00 37.49 O ATOM 1840 CB ASP A 933 -19.210 6.296 15.674 1.00 39.87 C ATOM 1841 CG ASP A 933 -18.061 6.958 16.419 1.00 58.15 C ATOM 1842 OD1 ASP A 933 -16.909 6.479 16.281 1.00 60.10 O ATOM 1843 OD2 ASP A 933 -18.312 7.962 17.123 1.00 63.30 O ATOM 1844 H ASP A 933 -18.500 8.120 14.087 1.00 0.00 H ATOM 1845 N LEU A 934 -21.118 6.192 13.282 1.00 32.33 N ATOM 1846 CA LEU A 934 -22.333 5.722 12.620 1.00 31.56 C ATOM 1847 C LEU A 934 -21.997 5.243 11.203 1.00 31.66 C ATOM 1848 O LEU A 934 -22.440 4.161 10.776 1.00 29.51 O ATOM 1849 CB LEU A 934 -23.407 6.841 12.546 1.00 32.35 C ATOM 1850 CG LEU A 934 -24.663 6.460 11.721 1.00 37.87 C ATOM 1851 CD1 LEU A 934 -25.421 5.283 12.345 1.00 38.50 C ATOM 1852 CD2 LEU A 934 -25.547 7.629 11.483 1.00 40.33 C ATOM 1853 H LEU A 934 -21.056 7.187 13.577 1.00 0.00 H ATOM 1854 N VAL A 935 -21.270 6.079 10.461 1.00 27.38 N ATOM 1855 CA VAL A 935 -20.931 5.783 9.069 1.00 27.95 C ATOM 1856 C VAL A 935 -20.072 4.520 8.956 1.00 29.17 C ATOM 1857 O VAL A 935 -20.295 3.739 8.018 1.00 27.45 O ATOM 1858 CB VAL A 935 -20.344 6.991 8.329 1.00 31.11 C ATOM 1859 CG1 VAL A 935 -19.903 6.605 6.912 1.00 31.44 C ATOM 1860 CG2 VAL A 935 -21.399 8.115 8.279 1.00 29.84 C ATOM 1861 H VAL A 935 -20.934 6.968 10.884 1.00 0.00 H ATOM 1862 N SER A 936 -19.113 4.304 9.889 1.00 26.64 N ATOM 1863 CA SER A 936 -18.305 3.071 9.880 1.00 27.59 C ATOM 1864 C SER A 936 -19.248 1.854 9.950 1.00 31.24 C ATOM 1865 O SER A 936 -19.077 0.899 9.183 1.00 28.65 O ATOM 1866 CB SER A 936 -17.341 3.033 11.066 1.00 31.51 C ATOM 1867 OG SER A 936 -16.589 1.825 11.055 1.00 31.01 O ATOM 1868 HG SER A 936 -17.206 1.053 11.115 1.00 0.00 H ATOM 1869 H SER A 936 -18.944 5.020 10.624 1.00 0.00 H ATOM 1870 N ASP A 937 -20.275 1.927 10.832 1.00 28.71 N ATOM 1871 CA ASP A 937 -21.243 0.836 11.027 1.00 28.66 C ATOM 1872 C ASP A 937 -22.078 0.602 9.774 1.00 29.88 C ATOM 1873 O ASP A 937 -22.257 -0.545 9.366 1.00 29.32 O ATOM 1874 CB ASP A 937 -22.145 1.106 12.252 1.00 30.69 C ATOM 1875 CG ASP A 937 -21.430 0.999 13.597 1.00 42.51 C ATOM 1876 OD1 ASP A 937 -20.270 0.518 13.624 1.00 39.88 O ATOM 1877 OD2 ASP A 937 -22.009 1.442 14.609 1.00 48.72 O ATOM 1878 H ASP A 937 -20.384 2.794 11.397 1.00 0.00 H ATOM 1879 N LEU A 938 -22.542 1.688 9.137 1.00 27.44 N ATOM 1880 CA LEU A 938 -23.310 1.576 7.882 1.00 26.38 C ATOM 1881 C LEU A 938 -22.436 0.958 6.795 1.00 28.78 C ATOM 1882 O LEU A 938 -22.907 0.089 6.060 1.00 28.33 O ATOM 1883 CB LEU A 938 -23.799 2.964 7.418 1.00 25.60 C ATOM 1884 CG LEU A 938 -24.891 3.632 8.275 1.00 28.03 C ATOM 1885 CD1 LEU A 938 -25.096 5.081 7.798 1.00 26.94 C ATOM 1886 CD2 LEU A 938 -26.218 2.884 8.179 1.00 29.14 C ATOM 1887 H LEU A 938 -22.356 2.630 9.537 1.00 0.00 H ATOM 1888 N LEU A 939 -21.168 1.383 6.712 1.00 26.35 N ATOM 1889 CA LEU A 939 -20.256 0.835 5.698 1.00 26.48 C ATOM 1890 C LEU A 939 -19.964 -0.632 5.957 1.00 28.76 C ATOM 1891 O LEU A 939 -19.883 -1.394 4.999 1.00 27.95 O ATOM 1892 CB LEU A 939 -18.952 1.637 5.611 1.00 26.74 C ATOM 1893 CG LEU A 939 -19.083 2.997 4.886 1.00 28.78 C ATOM 1894 CD1 LEU A 939 -17.791 3.830 5.091 1.00 28.70 C ATOM 1895 CD2 LEU A 939 -19.383 2.785 3.342 1.00 27.95 C ATOM 1896 H LEU A 939 -20.825 2.109 7.373 1.00 0.00 H ATOM 1897 N GLU A 940 -19.801 -1.039 7.233 1.00 27.04 N ATOM 1898 CA GLU A 940 -19.567 -2.459 7.505 1.00 27.81 C ATOM 1899 C GLU A 940 -20.726 -3.303 6.954 1.00 30.55 C ATOM 1900 O GLU A 940 -20.498 -4.350 6.331 1.00 28.50 O ATOM 1901 CB GLU A 940 -19.282 -2.724 8.999 1.00 30.62 C ATOM 1902 CG GLU A 940 -17.853 -2.347 9.404 1.00 36.59 C ATOM 1903 CD GLU A 940 -16.760 -2.891 8.489 1.00 41.76 C ATOM 1904 OE1 GLU A 940 -16.001 -2.076 7.922 1.00 35.22 O ATOM 1905 OE2 GLU A 940 -16.672 -4.126 8.316 1.00 34.13 O ATOM 1906 H GLU A 940 -19.841 -0.353 8.014 1.00 0.00 H ATOM 1907 N PHE A 941 -21.966 -2.821 7.150 1.00 28.16 N ATOM 1908 CA PHE A 941 -23.150 -3.535 6.652 1.00 29.51 C ATOM 1909 C PHE A 941 -23.146 -3.559 5.123 1.00 32.90 C ATOM 1910 O PHE A 941 -23.354 -4.609 4.506 1.00 30.79 O ATOM 1911 CB PHE A 941 -24.432 -2.869 7.188 1.00 32.26 C ATOM 1912 CG PHE A 941 -25.702 -3.649 6.912 1.00 35.22 C ATOM 1913 CD1 PHE A 941 -25.720 -5.038 6.994 1.00 41.62 C ATOM 1914 CD2 PHE A 941 -26.892 -2.992 6.636 1.00 36.58 C ATOM 1915 CE1 PHE A 941 -26.903 -5.756 6.764 1.00 43.70 C ATOM 1916 CE2 PHE A 941 -28.075 -3.712 6.405 1.00 40.01 C ATOM 1917 CZ PHE A 941 -28.066 -5.087 6.455 1.00 40.17 C ATOM 1918 H PHE A 941 -22.090 -1.925 7.664 1.00 0.00 H ATOM 1919 N CYS A 942 -22.857 -2.403 4.521 1.00 28.89 N ATOM 1920 CA CYS A 942 -22.763 -2.264 3.080 1.00 28.89 C ATOM 1921 C CYS A 942 -21.693 -3.170 2.453 1.00 30.97 C ATOM 1922 O CYS A 942 -21.958 -3.824 1.441 1.00 29.91 O ATOM 1923 CB CYS A 942 -22.510 -0.806 2.735 1.00 30.91 C ATOM 1924 SG CYS A 942 -22.843 -0.440 1.005 1.00 36.45 S ATOM 1925 H CYS A 942 -22.692 -1.564 5.112 1.00 0.00 H ATOM 1926 N PHE A 943 -20.495 -3.257 3.073 1.00 27.56 N ATOM 1927 CA PHE A 943 -19.412 -4.114 2.548 1.00 28.02 C ATOM 1928 C PHE A 943 -19.816 -5.583 2.611 1.00 30.73 C ATOM 1929 O PHE A 943 -19.455 -6.363 1.734 1.00 31.15 O ATOM 1930 CB PHE A 943 -18.115 -3.900 3.353 1.00 29.76 C ATOM 1931 CG PHE A 943 -17.528 -2.516 3.244 1.00 30.43 C ATOM 1932 CD1 PHE A 943 -17.653 -1.776 2.067 1.00 32.51 C ATOM 1933 CD2 PHE A 943 -16.821 -1.959 4.306 1.00 32.04 C ATOM 1934 CE1 PHE A 943 -17.065 -0.505 1.951 1.00 33.25 C ATOM 1935 CE2 PHE A 943 -16.260 -0.684 4.200 1.00 33.98 C ATOM 1936 CZ PHE A 943 -16.367 0.024 3.024 1.00 31.97 C ATOM 1937 H PHE A 943 -20.332 -2.707 3.941 1.00 0.00 H ATOM 1938 N TYR A 944 -20.556 -5.949 3.652 1.00 28.31 N ATOM 1939 CA TYR A 944 -21.036 -7.318 3.827 1.00 30.45 C ATOM 1940 C TYR A 944 -22.054 -7.673 2.721 1.00 33.23 C ATOM 1941 O TYR A 944 -21.887 -8.686 2.050 1.00 31.66 O ATOM 1942 CB TYR A 944 -21.672 -7.496 5.219 1.00 31.39 C ATOM 1943 CG TYR A 944 -22.310 -8.859 5.380 1.00 36.38 C ATOM 1944 CD1 TYR A 944 -21.534 -10.016 5.406 1.00 39.39 C ATOM 1945 CD2 TYR A 944 -23.692 -8.998 5.455 1.00 39.24 C ATOM 1946 CE1 TYR A 944 -22.118 -11.277 5.545 1.00 43.00 C ATOM 1947 CE2 TYR A 944 -24.285 -10.252 5.616 1.00 42.77 C ATOM 1948 CZ TYR A 944 -23.497 -11.389 5.631 1.00 50.97 C ATOM 1949 OH TYR A 944 -24.085 -12.626 5.757 1.00 61.29 O ATOM 1950 HH TYR A 944 -23.384 -13.325 5.750 1.00 0.00 H ATOM 1951 H TYR A 944 -20.802 -5.236 4.368 1.00 0.00 H ATOM 1952 N THR A 945 -23.107 -6.837 2.534 1.00 30.35 N ATOM 1953 CA THR A 945 -24.126 -7.163 1.516 1.00 30.41 C ATOM 1954 C THR A 945 -23.514 -7.091 0.113 1.00 34.28 C ATOM 1955 O THR A 945 -23.949 -7.815 -0.770 1.00 32.93 O ATOM 1956 CB THR A 945 -25.356 -6.295 1.659 1.00 31.63 C ATOM 1957 OG1 THR A 945 -24.972 -4.950 1.384 1.00 31.46 O ATOM 1958 CG2 THR A 945 -26.031 -6.431 3.063 1.00 32.87 C ATOM 1959 HG1 THR A 945 -25.761 -4.358 1.471 1.00 0.00 H ATOM 1960 H THR A 945 -23.196 -5.972 3.104 1.00 0.00 H ATOM 1961 N PHE A 946 -22.507 -6.217 -0.088 1.00 29.75 N ATOM 1962 CA PHE A 946 -21.836 -6.125 -1.392 1.00 29.35 C ATOM 1963 C PHE A 946 -21.132 -7.454 -1.734 1.00 34.80 C ATOM 1964 O PHE A 946 -21.292 -7.968 -2.844 1.00 35.05 O ATOM 1965 CB PHE A 946 -20.835 -4.959 -1.411 1.00 30.16 C ATOM 1966 CG PHE A 946 -20.183 -4.832 -2.776 1.00 31.77 C ATOM 1967 CD1 PHE A 946 -20.891 -4.303 -3.858 1.00 34.82 C ATOM 1968 CD2 PHE A 946 -18.860 -5.204 -2.967 1.00 33.44 C ATOM 1969 CE1 PHE A 946 -20.307 -4.227 -5.126 1.00 36.19 C ATOM 1970 CE2 PHE A 946 -18.255 -5.069 -4.222 1.00 37.08 C ATOM 1971 CZ PHE A 946 -18.989 -4.596 -5.296 1.00 35.09 C ATOM 1972 H PHE A 946 -22.201 -5.599 0.691 1.00 0.00 H ATOM 1973 N ARG A 947 -20.325 -7.973 -0.787 1.00 34.12 N ATOM 1974 CA ARG A 947 -19.567 -9.226 -0.961 1.00 36.55 C ATOM 1975 C ARG A 947 -20.468 -10.443 -1.044 1.00 42.22 C ATOM 1976 O ARG A 947 -20.157 -11.379 -1.783 1.00 42.19 O ATOM 1977 CB ARG A 947 -18.511 -9.395 0.133 1.00 42.53 C ATOM 1978 CG ARG A 947 -17.302 -8.482 -0.054 1.00 59.36 C ATOM 1979 CD ARG A 947 -16.071 -9.287 -0.421 1.00 72.98 C ATOM 1980 NE ARG A 947 -14.937 -8.448 -0.814 1.00 79.33 N ATOM 1981 CZ ARG A 947 -14.020 -7.976 0.027 1.00 91.27 C ATOM 1982 NH1 ARG A 947 -14.118 -8.211 1.330 1.00 74.28 N ATOM 1983 NH2 ARG A 947 -13.017 -7.235 -0.425 1.00 77.89 N ATOM 1984 HE ARG A 947 -14.842 -8.204 -1.820 1.00 0.00 H ATOM 1985 HH12 ARG A 947 -13.397 -7.839 1.981 1.00 0.00 H ATOM 1986 HH11 ARG A 947 -14.915 -8.767 1.700 1.00 0.00 H ATOM 1987 HH22 ARG A 947 -12.303 -6.868 0.236 1.00 0.00 H ATOM 1988 HH21 ARG A 947 -12.945 -7.021 -1.440 1.00 0.00 H ATOM 1989 H ARG A 947 -20.232 -7.463 0.114 1.00 0.00 H ATOM 1990 N GLU A 948 -21.593 -10.427 -0.315 1.00 39.28 N ATOM 1991 CA GLU A 948 -22.554 -11.537 -0.299 1.00 42.03 C ATOM 1992 C GLU A 948 -23.798 -11.261 -1.170 1.00 48.27 C ATOM 1993 O GLU A 948 -24.828 -11.904 -0.977 1.00 49.52 O ATOM 1994 CB GLU A 948 -22.973 -11.847 1.164 1.00 44.21 C ATOM 1995 CG GLU A 948 -21.827 -12.251 2.087 1.00 59.81 C ATOM 1996 CD GLU A 948 -21.029 -13.495 1.724 1.00 88.71 C ATOM 1997 OE1 GLU A 948 -19.804 -13.502 1.988 1.00 85.23 O ATOM 1998 OE2 GLU A 948 -21.617 -14.455 1.175 1.00 84.99 O ATOM 1999 H GLU A 948 -21.795 -9.589 0.267 1.00 0.00 H ATOM 2000 N SER A 949 -23.704 -10.315 -2.120 1.00 47.15 N ATOM 2001 CA SER A 949 -24.817 -9.881 -2.981 1.00 48.29 C ATOM 2002 C SER A 949 -25.602 -10.993 -3.627 1.00 55.15 C ATOM 2003 O SER A 949 -26.827 -10.948 -3.586 1.00 54.05 O ATOM 2004 CB SER A 949 -24.336 -8.909 -4.050 1.00 50.54 C ATOM 2005 OG SER A 949 -24.152 -7.630 -3.473 1.00 54.46 O ATOM 2006 HG SER A 949 -23.477 -7.689 -2.751 1.00 0.00 H ATOM 2007 H SER A 949 -22.780 -9.857 -2.257 1.00 0.00 H ATOM 2008 N HIS A 950 -24.917 -11.982 -4.214 1.00 56.86 N ATOM 2009 CA HIS A 950 -25.581 -13.107 -4.885 1.00 59.56 C ATOM 2010 C HIS A 950 -26.390 -13.949 -3.895 1.00 62.67 C ATOM 2011 O HIS A 950 -27.601 -14.103 -4.086 1.00 62.91 O ATOM 2012 CB HIS A 950 -24.579 -13.973 -5.679 1.00 62.52 C ATOM 2013 CG HIS A 950 -23.714 -13.213 -6.648 1.00 66.43 C ATOM 2014 ND1 HIS A 950 -22.387 -13.566 -6.861 1.00 69.13 N ATOM 2015 CD2 HIS A 950 -24.013 -12.153 -7.439 1.00 68.26 C ATOM 2016 CE1 HIS A 950 -21.924 -12.704 -7.754 1.00 68.07 C ATOM 2017 NE2 HIS A 950 -22.862 -11.830 -8.125 1.00 67.74 N ATOM 2018 H HIS A 950 -23.878 -11.953 -4.194 1.00 0.00 H ATOM 2019 N ALA A 951 -25.734 -14.442 -2.814 1.00 58.00 N ATOM 2020 CA ALA A 951 -26.353 -15.261 -1.760 1.00 57.19 C ATOM 2021 C ALA A 951 -27.495 -14.513 -1.041 1.00 59.93 C ATOM 2022 O ALA A 951 -28.558 -15.100 -0.819 1.00 59.60 O ATOM 2023 CB ALA A 951 -25.298 -15.699 -0.752 1.00 57.68 C ATOM 2024 H ALA A 951 -24.721 -14.225 -2.724 1.00 0.00 H ATOM 2025 N LEU A 952 -27.288 -13.208 -0.703 1.00 53.31 N ATOM 2026 CA LEU A 952 -28.322 -12.438 -0.007 1.00 51.96 C ATOM 2027 C LEU A 952 -29.374 -11.875 -0.945 1.00 55.16 C ATOM 2028 O LEU A 952 -30.449 -11.496 -0.483 1.00 56.56 O ATOM 2029 CB LEU A 952 -27.731 -11.299 0.847 1.00 50.46 C ATOM 2030 CG LEU A 952 -26.743 -11.645 1.970 1.00 55.33 C ATOM 2031 CD1 LEU A 952 -26.319 -10.392 2.694 1.00 53.80 C ATOM 2032 CD2 LEU A 952 -27.335 -12.635 2.983 1.00 56.91 C ATOM 2033 H LEU A 952 -26.384 -12.753 -0.943 1.00 0.00 H ATOM 2034 N LYS A 953 -29.076 -11.828 -2.252 1.00 49.99 N ATOM 2035 CA LYS A 953 -29.931 -11.252 -3.297 1.00 49.60 C ATOM 2036 C LYS A 953 -30.059 -9.725 -3.086 1.00 49.15 C ATOM 2037 O LYS A 953 -31.164 -9.170 -3.182 1.00 50.47 O ATOM 2038 CB LYS A 953 -31.294 -11.970 -3.432 1.00 53.99 C ATOM 2039 CG LYS A 953 -31.178 -13.362 -4.047 1.00 69.27 C ATOM 2040 CD LYS A 953 -32.506 -14.101 -4.057 1.00 83.86 C ATOM 2041 CE LYS A 953 -32.358 -15.487 -4.640 1.00 95.77 C ATOM 2042 NZ LYS A 953 -33.662 -16.198 -4.717 1.00106.16 N ATOM 2043 HZ1 LYS A 953 -34.064 -16.287 -3.762 1.00 0.00 H ATOM 2044 HZ2 LYS A 953 -34.315 -15.658 -5.320 1.00 0.00 H ATOM 2045 HZ3 LYS A 953 -33.516 -17.145 -5.122 1.00 0.00 H ATOM 2046 H LYS A 953 -28.165 -12.233 -2.549 1.00 0.00 H ATOM 2047 N VAL A 954 -28.936 -9.067 -2.703 1.00 39.52 N ATOM 2048 CA VAL A 954 -28.954 -7.609 -2.523 1.00 35.47 C ATOM 2049 C VAL A 954 -28.337 -6.989 -3.782 1.00 37.36 C ATOM 2050 O VAL A 954 -27.178 -7.263 -4.097 1.00 36.31 O ATOM 2051 CB VAL A 954 -28.305 -7.070 -1.222 1.00 36.43 C ATOM 2052 CG1 VAL A 954 -28.249 -5.539 -1.251 1.00 34.99 C ATOM 2053 CG2 VAL A 954 -29.074 -7.555 0.015 1.00 36.18 C ATOM 2054 H VAL A 954 -28.057 -9.598 -2.536 1.00 0.00 H ATOM 2055 N GLU A 955 -29.111 -6.162 -4.486 1.00 32.68 N ATOM 2056 CA GLU A 955 -28.649 -5.543 -5.731 1.00 32.62 C ATOM 2057 C GLU A 955 -27.987 -4.192 -5.499 1.00 33.49 C ATOM 2058 O GLU A 955 -28.379 -3.462 -4.586 1.00 30.76 O ATOM 2059 CB GLU A 955 -29.816 -5.407 -6.713 1.00 35.21 C ATOM 2060 CG GLU A 955 -30.396 -6.780 -7.073 1.00 43.69 C ATOM 2061 CD GLU A 955 -31.675 -6.831 -7.885 1.00 66.78 C ATOM 2062 OE1 GLU A 955 -32.407 -5.816 -7.927 1.00 65.17 O ATOM 2063 OE2 GLU A 955 -31.971 -7.914 -8.439 1.00 75.41 O ATOM 2064 H GLU A 955 -30.069 -5.951 -4.142 1.00 0.00 H ATOM 2065 N PHE A 956 -26.996 -3.872 -6.335 1.00 29.52 N ATOM 2066 CA PHE A 956 -26.294 -2.598 -6.303 1.00 28.18 C ATOM 2067 C PHE A 956 -26.287 -2.000 -7.720 1.00 32.83 C ATOM 2068 O PHE A 956 -26.051 -2.743 -8.677 1.00 32.16 O ATOM 2069 CB PHE A 956 -24.843 -2.772 -5.809 1.00 29.41 C ATOM 2070 CG PHE A 956 -24.704 -3.002 -4.322 1.00 31.03 C ATOM 2071 CD1 PHE A 956 -24.891 -4.271 -3.777 1.00 33.33 C ATOM 2072 CD2 PHE A 956 -24.372 -1.956 -3.469 1.00 32.31 C ATOM 2073 CE1 PHE A 956 -24.762 -4.484 -2.402 1.00 33.20 C ATOM 2074 CE2 PHE A 956 -24.257 -2.169 -2.090 1.00 33.50 C ATOM 2075 CZ PHE A 956 -24.439 -3.437 -1.574 1.00 31.22 C ATOM 2076 H PHE A 956 -26.710 -4.572 -7.049 1.00 0.00 H ATOM 2077 N PRO A 957 -26.497 -0.663 -7.855 1.00 29.02 N ATOM 2078 CA PRO A 957 -26.367 -0.016 -9.182 1.00 30.07 C ATOM 2079 C PRO A 957 -24.890 0.153 -9.553 1.00 30.73 C ATOM 2080 O PRO A 957 -24.025 0.127 -8.660 1.00 29.58 O ATOM 2081 CB PRO A 957 -27.031 1.348 -8.975 1.00 31.88 C ATOM 2082 CG PRO A 957 -26.773 1.658 -7.511 1.00 33.47 C ATOM 2083 CD PRO A 957 -26.743 0.331 -6.781 1.00 30.05 C ATOM 2084 N ALA A 958 -24.599 0.355 -10.861 1.00 30.03 N ATOM 2085 CA ALA A 958 -23.221 0.482 -11.363 1.00 30.43 C ATOM 2086 C ALA A 958 -22.406 1.527 -10.599 1.00 33.34 C ATOM 2087 O ALA A 958 -21.249 1.260 -10.259 1.00 31.68 O ATOM 2088 CB ALA A 958 -23.229 0.828 -12.833 1.00 31.65 C ATOM 2089 H ALA A 958 -25.384 0.423 -11.540 1.00 0.00 H ATOM 2090 N MET A 959 -23.018 2.688 -10.282 1.00 31.74 N ATOM 2091 CA MET A 959 -22.284 3.751 -9.542 1.00 32.70 C ATOM 2092 C MET A 959 -21.695 3.221 -8.218 1.00 32.80 C ATOM 2093 O MET A 959 -20.535 3.494 -7.905 1.00 33.09 O ATOM 2094 CB MET A 959 -23.181 4.963 -9.263 1.00 35.81 C ATOM 2095 CG MET A 959 -22.497 6.038 -8.405 1.00 40.25 C ATOM 2096 SD MET A 959 -21.087 6.847 -9.253 1.00 46.27 S ATOM 2097 CE MET A 959 -21.965 7.632 -10.506 1.00 42.31 C ATOM 2098 H MET A 959 -24.009 2.841 -10.557 1.00 0.00 H ATOM 2099 N LEU A 960 -22.481 2.454 -7.472 1.00 29.44 N ATOM 2100 CA LEU A 960 -22.028 1.892 -6.201 1.00 29.65 C ATOM 2101 C LEU A 960 -21.097 0.704 -6.359 1.00 30.50 C ATOM 2102 O LEU A 960 -20.162 0.557 -5.585 1.00 28.86 O ATOM 2103 CB LEU A 960 -23.197 1.546 -5.288 1.00 30.61 C ATOM 2104 CG LEU A 960 -24.108 2.702 -4.766 1.00 36.79 C ATOM 2105 CD1 LEU A 960 -24.929 2.221 -3.583 1.00 37.49 C ATOM 2106 CD2 LEU A 960 -23.332 3.959 -4.424 1.00 40.50 C ATOM 2107 H LEU A 960 -23.446 2.247 -7.801 1.00 0.00 H ATOM 2108 N VAL A 961 -21.331 -0.146 -7.355 1.00 27.02 N ATOM 2109 CA VAL A 961 -20.411 -1.272 -7.607 1.00 27.42 C ATOM 2110 C VAL A 961 -19.011 -0.691 -7.838 1.00 31.04 C ATOM 2111 O VAL A 961 -18.042 -1.190 -7.273 1.00 31.17 O ATOM 2112 CB VAL A 961 -20.839 -2.122 -8.845 1.00 31.81 C ATOM 2113 CG1 VAL A 961 -19.748 -3.137 -9.213 1.00 32.11 C ATOM 2114 CG2 VAL A 961 -22.177 -2.828 -8.596 1.00 31.74 C ATOM 2115 H VAL A 961 -22.167 -0.016 -7.960 1.00 0.00 H ATOM 2116 N GLU A 962 -18.907 0.349 -8.677 1.00 27.20 N ATOM 2117 CA GLU A 962 -17.617 0.944 -8.995 1.00 27.91 C ATOM 2118 C GLU A 962 -16.966 1.607 -7.761 1.00 31.45 C ATOM 2119 O GLU A 962 -15.780 1.376 -7.502 1.00 32.46 O ATOM 2120 CB GLU A 962 -17.775 1.945 -10.137 1.00 29.98 C ATOM 2121 CG GLU A 962 -17.977 1.237 -11.466 1.00 30.10 C ATOM 2122 CD GLU A 962 -18.149 2.201 -12.620 1.00 39.58 C ATOM 2123 OE1 GLU A 962 -18.279 3.417 -12.363 1.00 34.65 O ATOM 2124 OE2 GLU A 962 -18.168 1.739 -13.779 1.00 37.11 O ATOM 2125 H GLU A 962 -19.768 0.740 -9.111 1.00 0.00 H ATOM 2126 N ILE A 963 -17.736 2.394 -7.000 1.00 28.45 N ATOM 2127 CA ILE A 963 -17.197 3.059 -5.801 1.00 28.31 C ATOM 2128 C ILE A 963 -16.736 2.035 -4.751 1.00 30.49 C ATOM 2129 O ILE A 963 -15.594 2.106 -4.305 1.00 29.31 O ATOM 2130 CB ILE A 963 -18.215 4.053 -5.200 1.00 31.00 C ATOM 2131 CG1 ILE A 963 -18.342 5.310 -6.110 1.00 31.98 C ATOM 2132 CG2 ILE A 963 -17.806 4.440 -3.731 1.00 30.66 C ATOM 2133 CD1 ILE A 963 -19.567 6.243 -5.725 1.00 33.46 C ATOM 2134 H ILE A 963 -18.733 2.539 -7.260 1.00 0.00 H ATOM 2135 N ILE A 964 -17.615 1.077 -4.393 1.00 28.54 N ATOM 2136 CA ILE A 964 -17.290 0.080 -3.360 1.00 29.22 C ATOM 2137 C ILE A 964 -16.092 -0.781 -3.783 1.00 32.67 C ATOM 2138 O ILE A 964 -15.209 -1.043 -2.957 1.00 31.71 O ATOM 2139 CB ILE A 964 -18.516 -0.752 -2.931 1.00 31.83 C ATOM 2140 CG1 ILE A 964 -19.638 0.165 -2.407 1.00 31.23 C ATOM 2141 CG2 ILE A 964 -18.115 -1.808 -1.872 1.00 32.88 C ATOM 2142 CD1 ILE A 964 -21.028 -0.443 -2.395 1.00 34.11 C ATOM 2143 H ILE A 964 -18.545 1.042 -4.858 1.00 0.00 H ATOM 2144 N SER A 965 -16.021 -1.178 -5.076 1.00 31.82 N ATOM 2145 CA SER A 965 -14.874 -1.954 -5.569 1.00 31.31 C ATOM 2146 C SER A 965 -13.541 -1.238 -5.354 1.00 35.71 C ATOM 2147 O SER A 965 -12.549 -1.901 -5.119 1.00 37.17 O ATOM 2148 CB SER A 965 -15.051 -2.327 -7.041 1.00 35.83 C ATOM 2149 OG SER A 965 -16.220 -3.115 -7.192 1.00 39.75 O ATOM 2150 HG SER A 965 -17.007 -2.598 -6.885 1.00 0.00 H ATOM 2151 H SER A 965 -16.790 -0.930 -5.730 1.00 0.00 H ATOM 2152 N ASP A 966 -13.507 0.098 -5.429 1.00 31.54 N ATOM 2153 CA ASP A 966 -12.275 0.863 -5.183 1.00 32.80 C ATOM 2154 C ASP A 966 -12.075 1.181 -3.697 1.00 33.95 C ATOM 2155 O ASP A 966 -10.941 1.205 -3.216 1.00 34.17 O ATOM 2156 CB ASP A 966 -12.280 2.184 -5.974 1.00 34.43 C ATOM 2157 CG ASP A 966 -11.883 2.072 -7.437 1.00 48.02 C ATOM 2158 OD1 ASP A 966 -11.588 0.933 -7.895 1.00 48.47 O ATOM 2159 OD2 ASP A 966 -11.869 3.124 -8.130 1.00 51.17 O ATOM 2160 H ASP A 966 -14.379 0.611 -5.669 1.00 0.00 H ATOM 2161 N GLN A 967 -13.174 1.436 -2.979 1.00 29.41 N ATOM 2162 CA GLN A 967 -13.121 1.835 -1.569 1.00 29.64 C ATOM 2163 C GLN A 967 -12.726 0.680 -0.643 1.00 33.94 C ATOM 2164 O GLN A 967 -11.891 0.861 0.252 1.00 33.67 O ATOM 2165 CB GLN A 967 -14.483 2.416 -1.145 1.00 29.45 C ATOM 2166 CG GLN A 967 -14.586 2.836 0.319 1.00 29.95 C ATOM 2167 CD GLN A 967 -16.027 3.053 0.721 1.00 33.76 C ATOM 2168 OE1 GLN A 967 -16.972 2.609 0.045 1.00 30.90 O ATOM 2169 NE2 GLN A 967 -16.223 3.714 1.848 1.00 30.65 N ATOM 2170 HE22 GLN A 967 -15.410 4.072 2.389 1.00 0.00 H ATOM 2171 HE21 GLN A 967 -17.190 3.876 2.194 1.00 0.00 H ATOM 2172 H GLN A 967 -14.103 1.348 -3.439 1.00 0.00 H ATOM 2173 N LEU A 968 -13.369 -0.481 -0.837 1.00 32.34 N ATOM 2174 CA LEU A 968 -13.194 -1.661 0.019 1.00 34.61 C ATOM 2175 C LEU A 968 -11.728 -2.103 0.166 1.00 38.04 C ATOM 2176 O LEU A 968 -11.302 -2.214 1.311 1.00 38.27 O ATOM 2177 CB LEU A 968 -14.102 -2.802 -0.462 1.00 36.03 C ATOM 2178 CG LEU A 968 -14.336 -4.025 0.423 1.00 43.71 C ATOM 2179 CD1 LEU A 968 -14.452 -3.660 1.878 1.00 44.71 C ATOM 2180 CD2 LEU A 968 -15.590 -4.752 -0.023 1.00 46.79 C ATOM 2181 H LEU A 968 -14.028 -0.549 -1.638 1.00 0.00 H ATOM 2182 N PRO A 969 -10.911 -2.261 -0.911 1.00 36.56 N ATOM 2183 CA PRO A 969 -9.489 -2.634 -0.708 1.00 38.05 C ATOM 2184 C PRO A 969 -8.726 -1.584 0.101 1.00 41.07 C ATOM 2185 O PRO A 969 -7.814 -1.937 0.847 1.00 42.21 O ATOM 2186 CB PRO A 969 -8.936 -2.728 -2.133 1.00 40.29 C ATOM 2187 CG PRO A 969 -10.150 -2.975 -2.998 1.00 43.39 C ATOM 2188 CD PRO A 969 -11.221 -2.156 -2.354 1.00 37.63 C ATOM 2189 N LYS A 970 -9.112 -0.300 -0.022 1.00 34.27 N ATOM 2190 CA LYS A 970 -8.462 0.770 0.740 1.00 34.09 C ATOM 2191 C LYS A 970 -8.744 0.616 2.228 1.00 39.03 C ATOM 2192 O LYS A 970 -7.809 0.596 3.041 1.00 40.44 O ATOM 2193 CB LYS A 970 -8.872 2.157 0.233 1.00 34.71 C ATOM 2194 CG LYS A 970 -8.318 2.457 -1.164 1.00 38.14 C ATOM 2195 CD LYS A 970 -8.762 3.833 -1.587 1.00 46.65 C ATOM 2196 CE LYS A 970 -8.482 4.114 -3.040 1.00 57.60 C ATOM 2197 NZ LYS A 970 -8.659 5.563 -3.312 1.00 60.50 N ATOM 2198 HZ1 LYS A 970 -9.636 5.840 -3.089 1.00 0.00 H ATOM 2199 HZ2 LYS A 970 -7.999 6.108 -2.721 1.00 0.00 H ATOM 2200 HZ3 LYS A 970 -8.465 5.752 -4.316 1.00 0.00 H ATOM 2201 H LYS A 970 -9.888 -0.062 -0.672 1.00 0.00 H ATOM 2202 N VAL A 971 -10.029 0.446 2.564 1.00 32.34 N ATOM 2203 CA VAL A 971 -10.505 0.281 3.936 1.00 32.87 C ATOM 2204 C VAL A 971 -9.944 -1.011 4.548 1.00 37.89 C ATOM 2205 O VAL A 971 -9.432 -0.956 5.672 1.00 39.34 O ATOM 2206 CB VAL A 971 -12.055 0.369 3.981 1.00 34.92 C ATOM 2207 CG1 VAL A 971 -12.601 -0.067 5.356 1.00 34.80 C ATOM 2208 CG2 VAL A 971 -12.515 1.800 3.659 1.00 33.50 C ATOM 2209 H VAL A 971 -10.734 0.430 1.799 1.00 0.00 H ATOM 2210 N GLU A 972 -9.988 -2.141 3.801 1.00 36.14 N ATOM 2211 CA GLU A 972 -9.467 -3.445 4.259 1.00 38.97 C ATOM 2212 C GLU A 972 -7.975 -3.440 4.584 1.00 46.38 C ATOM 2213 O GLU A 972 -7.556 -4.141 5.510 1.00 47.47 O ATOM 2214 CB GLU A 972 -9.677 -4.536 3.209 1.00 41.22 C ATOM 2215 CG GLU A 972 -11.086 -5.061 3.076 1.00 57.62 C ATOM 2216 CD GLU A 972 -11.144 -6.221 2.099 1.00 84.04 C ATOM 2217 OE1 GLU A 972 -10.667 -6.067 0.949 1.00 73.43 O ATOM 2218 OE2 GLU A 972 -11.637 -7.299 2.500 1.00 86.44 O ATOM 2219 H GLU A 972 -10.412 -2.087 2.853 1.00 0.00 H ATOM 2220 N SER A 973 -7.170 -2.692 3.804 1.00 42.98 N ATOM 2221 CA SER A 973 -5.708 -2.635 3.966 1.00 44.87 C ATOM 2222 C SER A 973 -5.260 -1.615 5.018 1.00 50.50 C ATOM 2223 O SER A 973 -4.056 -1.466 5.252 1.00 51.32 O ATOM 2224 CB SER A 973 -5.043 -2.323 2.630 1.00 48.61 C ATOM 2225 OG SER A 973 -5.490 -1.073 2.130 1.00 55.94 O ATOM 2226 HG SER A 973 -6.471 -1.102 2.002 1.00 0.00 H ATOM 2227 H SER A 973 -7.604 -2.125 3.048 1.00 0.00 H ATOM 2228 N GLY A 974 -6.226 -0.931 5.630 1.00 46.40 N ATOM 2229 CA GLY A 974 -5.987 0.106 6.630 1.00 46.70 C ATOM 2230 C GLY A 974 -5.489 1.405 6.028 1.00 51.39 C ATOM 2231 O GLY A 974 -4.854 2.211 6.722 1.00 50.97 O ATOM 2232 H GLY A 974 -7.212 -1.149 5.380 1.00 0.00 H ATOM 2233 N ASN A 975 -5.778 1.619 4.726 1.00 47.37 N ATOM 2234 CA ASN A 975 -5.389 2.822 3.994 1.00 46.88 C ATOM 2235 C ASN A 975 -6.557 3.810 4.033 1.00 49.05 C ATOM 2236 O ASN A 975 -7.143 4.146 3.001 1.00 47.18 O ATOM 2237 CB ASN A 975 -4.949 2.480 2.556 1.00 46.92 C ATOM 2238 CG ASN A 975 -4.473 3.661 1.726 1.00 61.08 C ATOM 2239 OD1 ASN A 975 -4.239 4.761 2.230 1.00 53.40 O ATOM 2240 ND2 ASN A 975 -4.375 3.473 0.419 1.00 53.02 N ATOM 2241 HD22 ASN A 975 -4.576 2.538 0.012 1.00 0.00 H ATOM 2242 HD21 ASN A 975 -4.097 4.261 -0.200 1.00 0.00 H ATOM 2243 H ASN A 975 -6.308 0.885 4.215 1.00 0.00 H ATOM 2244 N ALA A 976 -6.954 4.198 5.248 1.00 45.88 N ATOM 2245 CA ALA A 976 -8.065 5.123 5.482 1.00 44.33 C ATOM 2246 C ALA A 976 -7.781 5.829 6.793 1.00 50.50 C ATOM 2247 O ALA A 976 -7.665 5.184 7.844 1.00 52.48 O ATOM 2248 CB ALA A 976 -9.386 4.373 5.557 1.00 43.81 C ATOM 2249 H ALA A 976 -6.446 3.822 6.074 1.00 0.00 H ATOM 2250 N LYS A 977 -7.602 7.144 6.721 1.00 44.74 N ATOM 2251 CA LYS A 977 -7.292 7.951 7.889 1.00 43.56 C ATOM 2252 C LYS A 977 -8.453 8.909 8.193 1.00 44.57 C ATOM 2253 O LYS A 977 -8.591 9.934 7.524 1.00 41.70 O ATOM 2254 CB LYS A 977 -5.961 8.699 7.695 1.00 46.65 C ATOM 2255 CG LYS A 977 -5.447 9.399 8.955 1.00 52.84 C ATOM 2256 CD LYS A 977 -4.165 10.158 8.678 1.00 62.22 C ATOM 2257 CE LYS A 977 -3.833 11.108 9.804 1.00 82.91 C ATOM 2258 NZ LYS A 977 -2.601 11.893 9.520 1.00 97.33 N ATOM 2259 HZ1 LYS A 977 -1.799 11.243 9.393 1.00 0.00 H ATOM 2260 HZ2 LYS A 977 -2.738 12.450 8.652 1.00 0.00 H ATOM 2261 HZ3 LYS A 977 -2.408 12.533 10.317 1.00 0.00 H ATOM 2262 H LYS A 977 -7.687 7.612 5.796 1.00 0.00 H ATOM 2263 N PRO A 978 -9.313 8.582 9.178 1.00 41.73 N ATOM 2264 CA PRO A 978 -10.392 9.516 9.525 1.00 40.20 C ATOM 2265 C PRO A 978 -9.828 10.725 10.267 1.00 43.22 C ATOM 2266 O PRO A 978 -8.864 10.606 11.032 1.00 45.27 O ATOM 2267 CB PRO A 978 -11.352 8.672 10.369 1.00 41.26 C ATOM 2268 CG PRO A 978 -10.515 7.612 10.962 1.00 47.49 C ATOM 2269 CD PRO A 978 -9.302 7.404 10.073 1.00 44.65 C ATOM 2270 N LEU A 979 -10.360 11.902 9.952 1.00 37.08 N ATOM 2271 CA LEU A 979 -9.942 13.157 10.559 1.00 37.39 C ATOM 2272 C LEU A 979 -10.969 13.565 11.603 1.00 40.39 C ATOM 2273 O LEU A 979 -12.175 13.591 11.315 1.00 38.55 O ATOM 2274 CB LEU A 979 -9.735 14.247 9.490 1.00 37.26 C ATOM 2275 CG LEU A 979 -8.757 13.897 8.333 1.00 40.78 C ATOM 2276 CD1 LEU A 979 -8.702 15.007 7.311 1.00 40.53 C ATOM 2277 CD2 LEU A 979 -7.348 13.602 8.851 1.00 45.83 C ATOM 2278 H LEU A 979 -11.113 11.927 9.235 1.00 0.00 H ATOM 2279 N TYR A 980 -10.494 13.806 12.838 1.00 37.84 N ATOM 2280 CA TYR A 980 -11.361 14.187 13.948 1.00 38.24 C ATOM 2281 C TYR A 980 -11.069 15.582 14.442 1.00 41.66 C ATOM 2282 O TYR A 980 -9.928 16.056 14.378 1.00 41.84 O ATOM 2283 CB TYR A 980 -11.205 13.224 15.133 1.00 41.44 C ATOM 2284 CG TYR A 980 -11.628 11.807 14.841 1.00 44.56 C ATOM 2285 CD1 TYR A 980 -12.952 11.410 14.993 1.00 47.15 C ATOM 2286 CD2 TYR A 980 -10.700 10.849 14.448 1.00 46.62 C ATOM 2287 CE1 TYR A 980 -13.350 10.101 14.725 1.00 49.16 C ATOM 2288 CE2 TYR A 980 -11.086 9.537 14.177 1.00 47.20 C ATOM 2289 CZ TYR A 980 -12.413 9.171 14.314 1.00 53.46 C ATOM 2290 OH TYR A 980 -12.805 7.884 14.053 1.00 57.11 O ATOM 2291 HH TYR A 980 -13.780 7.801 14.201 1.00 0.00 H ATOM 2292 H TYR A 980 -9.472 13.718 13.008 1.00 0.00 H ATOM 2293 N PHE A 981 -12.105 16.221 14.988 1.00 37.97 N ATOM 2294 CA PHE A 981 -11.938 17.539 15.600 1.00 39.24 C ATOM 2295 C PHE A 981 -11.535 17.386 17.064 1.00 45.69 C ATOM 2296 O PHE A 981 -10.780 18.206 17.571 1.00 46.77 O ATOM 2297 CB PHE A 981 -13.245 18.341 15.498 1.00 40.03 C ATOM 2298 CG PHE A 981 -13.561 18.737 14.074 1.00 41.10 C ATOM 2299 CD1 PHE A 981 -13.030 19.902 13.525 1.00 45.25 C ATOM 2300 CD2 PHE A 981 -14.360 17.930 13.272 1.00 41.44 C ATOM 2301 CE1 PHE A 981 -13.308 20.257 12.200 1.00 45.30 C ATOM 2302 CE2 PHE A 981 -14.620 18.278 11.945 1.00 43.59 C ATOM 2303 CZ PHE A 981 -14.097 19.441 11.420 1.00 42.19 C ATOM 2304 H PHE A 981 -13.045 15.776 14.978 1.00 0.00 H ATOM 2305 N HIS A 982 -12.053 16.347 17.743 1.00 43.70 N ATOM 2306 CA HIS A 982 -11.854 16.135 19.189 1.00 44.98 C ATOM 2307 C HIS A 982 -11.201 14.807 19.585 1.00 54.20 C ATOM 2308 O HIS A 982 -11.051 14.543 20.781 1.00 58.25 O ATOM 2309 CB HIS A 982 -13.195 16.288 19.911 1.00 43.91 C ATOM 2310 CG HIS A 982 -13.897 17.566 19.602 1.00 46.40 C ATOM 2311 ND1 HIS A 982 -13.494 18.769 20.171 1.00 49.03 N ATOM 2312 CD2 HIS A 982 -14.961 17.794 18.797 1.00 45.81 C ATOM 2313 CE1 HIS A 982 -14.322 19.684 19.687 1.00 47.50 C ATOM 2314 NE2 HIS A 982 -15.232 19.140 18.873 1.00 45.86 N ATOM 2315 H HIS A 982 -12.626 15.655 17.219 1.00 0.00 H ATOM 2316 N ARG A 983 -10.799 13.988 18.613 1.00 50.56 N ATOM 2317 CA ARG A 983 -10.124 12.705 18.888 1.00 74.52 C ATOM 2318 C ARG A 983 -8.735 12.647 18.250 1.00105.82 C ATOM 2319 O ARG A 983 -8.228 13.658 17.763 1.00 69.80 O ATOM 2320 CB ARG A 983 -10.973 11.499 18.441 1.00 72.31 C ATOM 2321 CG ARG A 983 -12.344 11.420 19.102 1.00 75.96 C ATOM 2322 CD ARG A 983 -13.217 10.363 18.459 1.00 78.47 C ATOM 2323 NE ARG A 983 -14.636 10.699 18.583 1.00 79.41 N ATOM 2324 CZ ARG A 983 -15.633 9.904 18.207 1.00 89.46 C ATOM 2325 NH1 ARG A 983 -15.380 8.711 17.681 1.00 74.67 N ATOM 2326 NH2 ARG A 983 -16.893 10.293 18.361 1.00 71.73 N ATOM 2327 HE ARG A 983 -14.881 11.623 18.993 1.00 0.00 H ATOM 2328 HH12 ARG A 983 -16.165 8.094 17.389 1.00 0.00 H ATOM 2329 HH11 ARG A 983 -14.397 8.393 17.561 1.00 0.00 H ATOM 2330 HH22 ARG A 983 -17.670 9.668 18.066 1.00 0.00 H ATOM 2331 HH21 ARG A 983 -17.103 11.223 18.777 1.00 0.00 H ATOM 2332 H ARG A 983 -10.967 14.264 17.624 1.00 0.00 H TER 2333 ARG A 983 HETATM 2334 O HOH 1 -13.114 12.212 2.741 1.00 32.76 O HETATM 2335 O HOH 2 -16.172 0.501 8.333 1.00 36.50 O HETATM 2336 O HOH 3 -34.770 2.908 -5.522 1.00 39.98 O HETATM 2337 O HOH 4 -22.858 17.342 19.394 1.00 38.26 O HETATM 2338 O HOH 5 -17.659 11.030 8.219 1.00 48.52 O HETATM 2339 O HOH 6 -43.511 14.317 1.407 1.00 55.91 O HETATM 2340 O HOH 7 -21.921 20.273 -11.441 1.00 56.15 O HETATM 2341 O HOH 8 -8.670 0.693 -4.555 1.00 45.13 O HETATM 2342 O HOH 9 -16.730 -0.202 -14.961 1.00 41.57 O HETATM 2343 O HOH 10 -16.180 -5.795 -7.425 1.00 38.50 O HETATM 2344 O HOH 11 -26.095 17.546 19.579 1.00 58.03 O HETATM 2345 O HOH 12 -17.876 -0.090 12.539 1.00 42.83 O HETATM 2346 O HOH 13 -28.440 38.319 19.961 1.00 48.20 O HETATM 2347 O HOH 14 -15.392 10.157 5.510 1.00 54.57 O HETATM 2348 O HOH 15 -29.790 11.336 -10.021 1.00 46.52 O HETATM 2349 O HOH 16 -28.557 32.822 22.331 1.00 49.63 O HETATM 2350 O HOH 17 -18.431 -5.915 7.110 1.00 29.87 O HETATM 2351 O HOH 18 -9.294 1.113 7.413 1.00 41.70 O HETATM 2352 O HOH 19 -29.379 3.737 -9.270 1.00 36.44 O HETATM 2353 O HOH 20 -17.941 5.220 -10.368 1.00 34.99 O HETATM 2354 O HOH 21 -44.097 11.758 1.886 1.00 58.57 O HETATM 2355 O HOH 22 -1.878 5.959 1.643 1.00 48.73 O HETATM 2356 O HOH 23 -43.570 13.875 11.850 1.00 50.32 O HETATM 2357 O HOH 24 -20.577 8.776 18.379 1.00 87.02 O HETATM 2358 O HOH 25 -23.261 34.447 10.971 1.00 47.34 O HETATM 2359 O HOH 26 -10.894 6.596 -1.492 1.00 41.52 O HETATM 2360 O HOH 27 -30.778 -4.877 18.578 1.00 60.45 O HETATM 2361 O HOH 28 -22.732 8.147 16.092 1.00 51.28 O HETATM 2362 O HOH 29 -23.323 37.431 19.433 1.00 43.16 O HETATM 2363 O HOH 30 -14.819 14.525 12.145 1.00 42.36 O HETATM 2364 O HOH 31 -22.473 -2.755 10.944 1.00 34.67 O HETATM 2365 O HOH 32 -13.989 3.023 -9.848 1.00 48.79 O HETATM 2366 O HOH 33 -30.409 27.565 15.499 1.00 38.12 O HETATM 2367 O HOH 34 -13.784 16.958 8.259 1.00 48.59 O HETATM 2368 O HOH 35 -12.244 -0.330 -10.231 1.00 73.12 O HETATM 2369 O HOH 36 -12.574 -4.615 -4.777 1.00 60.73 O HETATM 2370 O HOH 37 -24.839 29.683 13.054 1.00 46.06 O HETATM 2371 O HOH 38 -9.398 5.768 -5.975 1.00 46.82 O HETATM 2372 O HOH 39 1.211 15.909 -1.444 1.00 65.63 O HETATM 2373 O HOH 40 -28.083 29.157 15.080 1.00 41.32 O HETATM 2374 O HOH 41 -28.461 10.394 21.158 1.00 63.97 O HETATM 2375 O HOH 42 -34.042 10.735 -1.898 1.00 39.06 O HETATM 2376 O HOH 43 -22.853 34.929 18.611 1.00 36.79 O HETATM 2377 O HOH 44 -31.986 11.504 21.905 1.00 44.77 O HETATM 2378 O HOH 45 -26.019 7.796 16.510 1.00 48.29 O HETATM 2379 O HOH 46 -18.440 32.220 7.444 1.00 53.19 O HETATM 2380 O HOH 47 -9.585 18.539 12.332 1.00 55.12 O HETATM 2381 O HOH 48 -29.158 10.721 1.160 1.00 27.95 O HETATM 2382 O HOH 49 -5.433 10.410 -3.962 1.00 47.39 O HETATM 2383 O HOH 50 -29.711 30.903 13.641 1.00 55.43 O HETATM 2384 O HOH 51 -34.434 5.051 -7.089 1.00 46.42 O HETATM 2385 O HOH 52 -0.668 20.469 -2.521 1.00 47.17 O HETATM 2386 O HOH 53 -16.855 12.820 10.174 1.00 41.37 O HETATM 2387 O HOH 54 -35.729 27.211 16.130 1.00 63.92 O HETATM 2388 O HOH 55 -10.643 27.564 13.050 1.00 64.75 O HETATM 2389 O HOH 56 -14.690 32.595 15.933 1.00 59.83 O HETATM 2390 O HOH 57 -32.262 27.128 8.147 1.00 41.92 O HETATM 2391 O HOH 58 -15.321 13.475 19.261 1.00 52.20 O HETATM 2392 O HOH 59 -28.204 28.899 19.206 1.00 50.30 O HETATM 2393 O HOH 60 -1.698 7.871 -0.615 1.00 60.97 O HETATM 2394 O HOH 61 -18.388 7.451 4.041 1.00 37.55 O HETATM 2395 O HOH 62 -14.353 5.141 3.569 1.00 35.90 O HETATM 2396 O HOH 63 -33.632 24.570 9.655 1.00 56.97 O HETATM 2397 O HOH 64 -11.604 18.940 22.318 1.00 67.94 O HETATM 2398 O HOH 65 -8.181 7.987 -6.958 1.00 43.79 O HETATM 2399 O HOH 66 -25.692 16.728 -2.889 1.00 57.66 O HETATM 2400 O HOH 67 -38.713 -3.522 15.887 1.00 69.64 O HETATM 2401 O HOH 68 -36.303 0.130 -6.688 1.00 83.06 O HETATM 2402 O HOH 69 -34.998 22.157 20.117 1.00 42.50 O HETATM 2403 O HOH 70 -22.858 -14.360 -2.766 1.00 67.37 O HETATM 2404 O HOH 71 -4.988 0.996 -0.915 1.00 60.86 O HETATM 2405 O HOH 72 -33.937 -7.584 -4.345 1.00 63.87 O HETATM 2406 O HOH 73 -44.289 7.705 1.989 1.00 56.85 O HETATM 2407 O HOH 74 -36.790 10.362 -8.812 1.00 57.26 O HETATM 2408 O HOH 75 -19.998 29.494 24.265 1.00 30.49 O HETATM 2409 O HOH 76 -26.682 26.321 20.413 1.00 38.14 O HETATM 2410 O HOH 77 -6.187 16.436 -12.393 1.00 62.70 O HETATM 2411 O HOH 78 -12.928 6.829 7.713 1.00 53.96 O HETATM 2412 O HOH 79 -18.354 12.889 19.024 1.00 42.78 O HETATM 2413 O HOH 80 -5.200 13.174 -11.058 1.00 49.48 O HETATM 2414 O HOH 81 -15.622 4.862 -8.714 1.00 35.04 O HETATM 2415 O HOH 82 -18.365 2.388 14.832 1.00 60.05 O HETATM 2416 O HOH 83 -6.500 6.270 -1.452 1.00 58.22 O HETATM 2417 O HOH 84 -25.526 3.501 -11.591 1.00 31.31 O HETATM 2418 O HOH 85 -41.807 3.697 10.716 1.00 46.52 O HETATM 2419 O HOH 86 -39.997 -0.303 4.829 1.00 64.12 O HETATM 2420 O HOH 87 -31.194 15.619 0.547 1.00 39.48 O HETATM 2421 O HOH 88 -43.096 5.212 3.044 1.00 52.39 O HETATM 2422 O HOH 89 -4.842 20.289 -9.938 1.00 68.28 O HETATM 2423 O HOH 90 -43.088 17.110 3.825 1.00 77.11 O HETATM 2424 O HOH 91 -26.572 29.977 10.969 1.00 57.43 O HETATM 2425 O HOH 92 -28.989 -2.821 -9.309 1.00 40.26 O HETATM 2426 O HOH 93 -7.575 13.467 13.476 1.00 54.64 O HETATM 2427 O HOH 94 -33.690 22.444 2.760 1.00 62.50 O HETATM 2428 O HOH 95 -24.837 25.766 22.350 1.00 72.03 O HETATM 2429 O HOH 96 -26.413 -8.666 -6.674 1.00 70.30 O HETATM 2430 O HOH 97 -24.938 2.220 14.715 1.00 70.41 O HETATM 2431 O HOH 98 1.131 18.895 -1.174 1.00 61.12 O HETATM 2432 O HOH 99 -16.025 6.568 8.959 1.00 62.92 O HETATM 2433 O HOH 100 -26.231 19.396 21.575 1.00 61.79 O HETATM 2434 O HOH 101 -7.294 24.612 -2.087 1.00 67.32 O HETATM 2435 O HOH 102 -41.003 8.675 16.162 1.00 67.12 O HETATM 2436 O HOH 103 -23.556 38.919 17.062 1.00 58.64 O HETATM 2437 O HOH 104 -36.418 -3.972 -4.618 1.00 60.12 O HETATM 2438 O HOH 105 -22.610 14.534 19.004 1.00 47.49 O HETATM 2439 O HOH 106 -25.107 22.714 -1.070 1.00 59.40 O HETATM 2440 O HOH 107 -44.654 13.284 -2.952 1.00 72.35 O HETATM 2441 O HOH 108 -42.374 19.217 8.488 1.00 67.22 O HETATM 2442 O HOH 109 -29.669 20.786 24.228 1.00 54.62 O HETATM 2443 O HOH 110 -25.993 12.469 -15.303 1.00 69.28 O HETATM 2444 O HOH 111 -21.760 23.330 -4.611 1.00 49.60 O HETATM 2445 O HOH 112 -10.746 28.310 -4.976 1.00 81.12 O HETATM 2446 O HOH 113 -3.827 5.864 -1.698 1.00 56.14 O HETATM 2447 O HOH 114 -25.785 27.600 2.397 1.00 50.97 O HETATM 2448 O HOH 115 -4.718 16.536 7.233 1.00 74.15 O HETATM 2449 O HOH 116 -30.881 25.169 20.200 1.00 59.89 O HETATM 2450 O HOH 117 -30.370 18.119 1.212 1.00 72.73 O HETATM 2451 O HOH 118 -27.710 21.997 22.328 1.00 65.29 O HETATM 2452 O HOH 119 -41.992 15.966 -2.679 1.00 63.81 O HETATM 2453 O HOH 120 -6.756 20.503 7.636 1.00 63.21 O HETATM 2454 O HOH 121 -43.757 9.355 17.179 1.00 70.37 O HETATM 2455 O HOH 122 -29.956 34.941 21.364 1.00 65.66 O HETATM 2456 O HOH 123 -35.357 -5.869 16.431 1.00 73.50 O HETATM 2457 O HOH 124 -26.395 18.443 -15.025 1.00 69.47 O HETATM 2458 O HOH 125 -14.692 2.701 7.758 1.00 61.79 O HETATM 2459 O HOH 126 -33.558 26.614 12.509 1.00 58.32 O HETATM 2460 O HOH 127 -40.383 20.489 4.461 1.00 64.88 O HETATM 2461 O HOH 128 0.320 17.843 -6.571 1.00 67.70 O HETATM 2462 O HOH 129 -6.977 16.993 11.581 1.00 79.42 O HETATM 2463 O HOH 130 -27.313 5.125 -10.392 1.00 43.94 O HETATM 2464 O HOH 131 -45.154 9.759 -2.204 1.00 72.27 O HETATM 2465 O HOH 132 -32.638 13.118 -2.491 1.00 53.98 O HETATM 2466 O HOH 133 -26.021 11.249 18.320 1.00 69.07 O HETATM 2467 O HOH 134 -30.485 27.630 18.320 1.00 47.29 O HETATM 2468 O HOH 135 -36.983 8.461 19.060 1.00 53.34 O HETATM 2469 O HOH 136 -14.526 1.564 -14.370 1.00 57.75 O HETATM 2470 O HOH 137 -28.423 24.291 20.980 1.00 64.90 O HETATM 2471 O HOH 138 -7.942 9.655 -11.676 1.00 61.60 O HETATM 2472 O HOH 139 -22.502 18.587 -13.697 1.00 67.77 O HETATM 2473 O HOH 140 -11.488 26.653 -0.299 1.00 63.04 O HETATM 2474 O HOH 141 -8.838 -1.821 -6.212 1.00 69.35 O HETATM 2475 O HOH 142 -43.628 3.538 12.745 1.00 58.72 O HETATM 2476 O HOH 143 -10.387 5.981 -10.398 1.00 61.19 O HETATM 2477 O HOH 144 -11.158 26.524 16.527 1.00 83.29 O HETATM 2478 O HOH 145 -15.930 15.431 9.885 1.00 48.16 O HETATM 2479 O HOH 146 -25.787 20.810 -7.631 1.00 62.74 O HETATM 2480 O HOH 147 -7.961 2.934 -6.351 1.00 57.40 O HETATM 2481 O HOH 148 -28.567 11.765 -14.741 1.00 71.63 O HETATM 2482 O HOH 149 -40.085 -1.534 17.949 1.00 68.18 O HETATM 2483 O HOH 150 -33.481 25.265 20.973 1.00 66.25 O HETATM 2484 O HOH 151 -47.722 12.311 15.508 1.00 67.75 O HETATM 2485 O HOH 152 -27.263 18.731 -4.312 1.00 66.56 O HETATM 2486 O HOH 153 -44.755 7.906 8.295 1.00 66.53 O HETATM 2487 O HOH 154 -38.992 23.656 18.551 1.00 53.16 O HETATM 2488 O HOH 155 -13.748 34.934 17.158 1.00 49.72 O HETATM 2489 O HOH 156 -8.105 7.856 -9.631 1.00 50.80 O HETATM 2490 O HOH 157 -24.044 23.464 -6.104 1.00 76.18 O HETATM 2491 O HOH 158 -44.128 12.583 9.594 1.00 58.96 O HETATM 2492 O HOH 159 -21.484 35.492 9.089 1.00 62.99 O HETATM 2493 O HOH 160 -13.691 4.698 6.181 1.00 58.84 O HETATM 2494 O HOH 161 -30.129 1.699 -10.863 1.00 49.12 O HETATM 2495 O HOH 162 -7.718 16.023 -15.040 1.00 73.05 O HETATM 2496 O HOH 163 -43.678 11.910 5.464 1.00 61.17 O HETATM 2497 O HOH 164 -26.263 22.172 -5.136 1.00 77.67 O HETATM 2498 O HOH 165 -26.411 20.200 -11.477 1.00 80.90 O HETATM 2499 O HOH 166 -44.553 10.583 7.820 1.00 75.79 O HETATM 2500 O HOH 167 -13.223 6.271 -10.185 1.00 52.64 O HETATM 2501 O HOH 168 -11.856 5.675 -14.076 1.00 48.11 O HETATM 2502 O HOH 169 -10.984 11.676 -17.648 1.00 70.21 O HETATM 2503 O HOH 170 -21.242 5.613 -19.202 1.00 48.75 O HETATM 2504 O HOH 171 -10.392 3.972 -15.604 1.00 70.22 O HETATM 2505 O HOH 172 -22.801 8.812 -17.171 1.00 68.38 O HETATM 2506 O HOH 173 -9.370 -0.577 -16.151 1.00 72.69 O HETATM 2507 O HOH 174 -6.277 12.301 -15.025 1.00 74.05 O HETATM 2508 C1 EYN A 175 -29.269 0.638 7.572 1.00 -0.06 C HETATM 2509 C2 EYN A 175 -30.369 0.729 6.570 1.00 -0.04 C HETATM 2510 C3 EYN A 175 -31.430 -0.301 6.935 1.00 -0.06 C HETATM 2511 H5 EYN A 175 -32.254 -0.252 6.208 1.00 0.02 H HETATM 2512 H6 EYN A 175 -31.817 -0.088 7.942 1.00 0.02 H HETATM 2513 H7 EYN A 175 -30.985 -1.307 6.918 1.00 0.02 H HETATM 2514 C4 EYN A 175 -30.998 2.107 6.551 1.00 -0.02 C HETATM 2515 C5 EYN A 175 -30.056 3.242 6.263 1.00 -0.03 C HETATM 2516 C10 EYN A 175 -29.717 4.128 7.279 1.00 0.11 C HETATM 2517 C9 EYN A 175 -28.890 5.203 7.037 1.00 -0.02 C HETATM 2518 C8 EYN A 175 -28.411 5.404 5.757 1.00 0.10 C HETATM 2519 C7 EYN A 175 -28.716 4.517 4.730 1.00 0.09 C HETATM 2520 C6 EYN A 175 -29.559 3.447 4.988 1.00 -0.05 C HETATM 2521 H23 EYN A 175 -29.830 2.768 4.188 1.00 0.04 H HETATM 2522 N16 EYN A 175 -28.213 4.775 3.422 1.00 -0.22 N HETATM 2523 C14 EYN A 175 -27.898 6.181 3.143 1.00 0.11 C HETATM 2524 C13 EYN A 175 -26.974 6.613 4.281 1.00 0.10 C HETATM 2525 O12 EYN A 175 -27.594 6.528 5.582 1.00 -0.33 O HETATM 2526 H9 EYN A 175 -26.669 7.655 4.107 1.00 0.06 H HETATM 2527 H10 EYN A 175 -26.085 5.965 4.275 1.00 0.06 H HETATM 2528 C30 EYN A 175 -29.113 7.108 3.090 1.00 0.07 C HETATM 2529 C31 EYN A 175 -29.972 7.097 1.860 1.00 0.18 C HETATM 2530 O32 EYN A 175 -30.835 7.948 1.715 1.00 -0.40 O HETATM 2531 N33 EYN A 175 -29.735 6.082 0.969 1.00 -0.29 N HETATM 2532 C34 EYN A 175 -30.569 5.958 -0.207 1.00 0.02 C HETATM 2533 H18 EYN A 175 -30.237 5.095 -0.803 1.00 0.05 H HETATM 2534 H19 EYN A 175 -30.489 6.873 -0.811 1.00 0.05 H HETATM 2535 H20 EYN A 175 -31.615 5.811 0.099 1.00 0.05 H HETATM 2536 H26 EYN A 175 -28.992 5.433 1.131 1.00 0.18 H HETATM 2537 H16 EYN A 175 -28.742 8.136 3.217 1.00 0.05 H HETATM 2538 H17 EYN A 175 -29.760 6.843 3.939 1.00 0.05 H HETATM 2539 H11 EYN A 175 -27.371 6.248 2.180 1.00 0.07 H HETATM 2540 C17 EYN A 175 -27.792 3.812 2.501 1.00 0.22 C HETATM 2541 C19 EYN A 175 -27.314 2.461 2.950 1.00 0.03 C HETATM 2542 C20 EYN A 175 -26.625 2.247 4.136 1.00 -0.07 C HETATM 2543 C21 EYN A 175 -26.153 0.990 4.492 1.00 -0.04 C HETATM 2544 C22 EYN A 175 -26.338 -0.058 3.603 1.00 0.12 C HETATM 2545 C23 EYN A 175 -27.012 0.161 2.417 1.00 0.10 C HETATM 2546 C24 EYN A 175 -27.508 1.405 2.070 1.00 -0.03 C HETATM 2547 H14 EYN A 175 -28.035 1.552 1.134 1.00 0.05 H HETATM 2548 N25 EYN A 175 -27.178 -0.899 1.501 1.00 -0.23 N HETATM 2549 C26 EYN A 175 -26.893 -2.196 1.860 1.00 0.23 C HETATM 2550 O27 EYN A 175 -26.957 -3.132 1.070 1.00 -0.38 O HETATM 2551 C28 EYN A 175 -26.596 -2.381 3.332 1.00 0.16 C HETATM 2552 O29 EYN A 175 -25.813 -1.321 3.930 1.00 -0.30 O HETATM 2553 H24 EYN A 175 -26.044 -3.325 3.454 1.00 0.09 H HETATM 2554 H25 EYN A 175 -27.554 -2.444 3.869 1.00 0.09 H HETATM 2555 H15 EYN A 175 -27.508 -0.705 0.577 1.00 0.22 H HETATM 2556 H13 EYN A 175 -25.653 0.832 5.441 1.00 0.05 H HETATM 2557 H12 EYN A 175 -26.451 3.084 4.803 1.00 0.05 H HETATM 2558 O18 EYN A 175 -27.740 4.042 1.286 1.00 -0.38 O HETATM 2559 H8 EYN A 175 -28.619 5.881 7.839 1.00 0.05 H HETATM 2560 F11 EYN A 175 -30.212 3.983 8.527 1.00 -0.20 F HETATM 2561 H21 EYN A 175 -31.453 2.286 7.536 1.00 0.04 H HETATM 2562 H22 EYN A 175 -31.781 2.112 5.779 1.00 0.04 H HETATM 2563 H4 EYN A 175 -29.966 0.507 5.571 1.00 0.03 H HETATM 2564 H1 EYN A 175 -28.840 -0.375 7.554 1.00 0.02 H HETATM 2565 H2 EYN A 175 -29.668 0.850 8.575 1.00 0.02 H HETATM 2566 H3 EYN A 175 -28.487 1.372 7.326 1.00 0.02 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 69 70 81 82 83 CONECT 81 69 CONECT 82 69 CONECT 83 69 CONECT 2508 2509 2564 2565 2566 CONECT 2509 2508 2510 2514 2563 CONECT 2510 2509 2511 2512 2513 CONECT 2511 2510 CONECT 2512 2510 CONECT 2513 2510 CONECT 2514 2509 2515 2561 2562 CONECT 2515 2514 2516 2520 CONECT 2516 2515 2517 2560 CONECT 2517 2516 2518 2559 CONECT 2518 2517 2519 2525 CONECT 2519 2518 2520 2522 CONECT 2520 2515 2519 2521 CONECT 2521 2520 CONECT 2522 2519 2523 2540 CONECT 2523 2522 2524 2528 2539 CONECT 2524 2523 2525 2526 2527 CONECT 2525 2518 2524 CONECT 2526 2524 CONECT 2527 2524 CONECT 2528 2523 2529 2537 2538 CONECT 2529 2528 2530 2531 CONECT 2530 2529 CONECT 2531 2529 2532 2536 CONECT 2532 2531 2533 2534 2535 CONECT 2533 2532 CONECT 2534 2532 CONECT 2535 2532 CONECT 2536 2531 CONECT 2537 2528 CONECT 2538 2528 CONECT 2539 2523 CONECT 2540 2522 2541 2558 CONECT 2541 2540 2542 2546 CONECT 2542 2541 2543 2557 CONECT 2543 2542 2544 2556 CONECT 2544 2543 2545 2552 CONECT 2545 2544 2546 2548 CONECT 2546 2541 2545 2547 CONECT 2547 2546 CONECT 2548 2545 2549 2555 CONECT 2549 2548 2550 2551 CONECT 2550 2549 CONECT 2551 2549 2552 2553 2554 CONECT 2552 2544 2551 CONECT 2553 2551 CONECT 2554 2551 CONECT 2555 2548 CONECT 2556 2543 CONECT 2557 2542 CONECT 2558 2540 CONECT 2559 2517 CONECT 2560 2516 CONECT 2561 2514 CONECT 2562 2514 CONECT 2563 2509 CONECT 2564 2508 CONECT 2565 2508 CONECT 2566 2508 MASTER 0 0 0 0 0 0 0 0 2564 2 67 19 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
6ggg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Mineralocorticoid receptor
Ligand Name
EYN
EC.Number
E.C.-.-.-.-
Resolution
1.71(Å)
Affinity (Kd/Ki/IC50)
Ki=0.63nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 1385-1406
Ligand Properties
Formula
C
2
4
H
2
6
FN
3
O
5
Molecular Weight
455.479
Exact Mass
455.186
No. of atoms
59
No. of bonds
62
Polar Surface Area
96.97
LOGP Value
2.64 (
Computed with XLOGP3
)
3.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
CNC(=O)C[C@H]1COc2c(N1C(=O)c1ccc3c(c1)NC(=O)CO3)cc(c(c2)F)CC(C)C
InChI String
InChI=1S/C24H26FN3O5/c1-13(2)6-15-8-19-21(10-17(15)25)32-11-16(9-22(29)26-3)28(19)24(31)14-4-5-20-18(7-14)27-23(30)12-33-20/h4-5,7-8,10,13,16H,6,9,11-12H2,1-3H3,(H,26,29)(H,27,30)/t16-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08235
Entrez Gene ID
NCBI Entrez Gene ID:
4306
ASD
Information of known allosteric effects of PDB entries
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