Browse entries in the PDBbind-CN Database
HEADER 4ZIJ_COMPLEX COMPND 4ZIJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 188 ALA GLN TYR GLU ASP GLY LYS GLN TYR THR THR LEU GLU SEQRES 2 A 188 LYS PRO VAL ALA GLY ALA PRO GLN VAL LEU GLU PHE PHE SEQRES 3 A 188 SER PHE PHE CYS PRO HIS CYS TYR GLN PHE GLU GLU VAL SEQRES 4 A 188 LEU HIS ILE SER ASP ASN VAL LYS LYS LYS LEU PRO GLU SEQRES 5 A 188 GLY VAL LYS MET THR LYS TYR HIS VAL ASN PHE MET GLY SEQRES 6 A 188 GLY ASP LEU GLY LYS ASP LEU THR GLN ALA TRP ALA VAL SEQRES 7 A 188 ALA MET ALA LEU GLY VAL GLU ASP LYS VAL THR VAL PRO SEQRES 8 A 188 LEU PHE GLU GLY VAL GLN LYS THR GLN THR ILE ARG SER SEQRES 9 A 188 ALA SER ASP ILE ARG ASP VAL PHE ILE ASN ALA GLY ILE SEQRES 10 A 188 LYS GLY GLU GLU TYR ASP ALA ALA TRP ASN SER PHE VAL SEQRES 11 A 188 VAL LYS SER LEU VAL ALA GLN GLN GLU LYS ALA ALA ALA SEQRES 12 A 188 ASP VAL GLN LEU ARG GLY VAL PRO ALA MET PHE VAL ASN SEQRES 13 A 188 GLY LYS TYR GLN LEU ASN PRO GLN GLY MET ASP THR SER SEQRES 14 A 188 ASN MET ASP VAL PHE VAL GLN GLN TYR ALA ASP THR VAL SEQRES 15 A 188 LYS TYR LEU SER GLU LYS HET SFQ A 390 29 SSBOND 1 CYS A 30 CYS A 33 ATOM 1 N ALA A 1 -12.324 47.750 12.508 1.00 36.22 N ATOM 2 CA ALA A 1 -12.152 46.902 11.335 1.00 38.76 C ATOM 3 C ALA A 1 -12.979 47.412 10.162 1.00 38.79 C ATOM 4 O ALA A 1 -14.076 47.939 10.354 1.00 41.92 O ATOM 5 CB ALA A 1 -12.535 45.471 11.660 1.00 40.62 C ATOM 6 HN3 ALA A 1 -13.326 47.757 12.785 1.00 0.00 H ATOM 7 HN2 ALA A 1 -12.019 48.718 12.282 1.00 0.00 H ATOM 8 HN1 ALA A 1 -11.749 47.378 13.291 1.00 0.00 H ATOM 9 N GLN A 2 -12.456 47.251 8.950 1.00 35.46 N ATOM 10 CA GLN A 2 -13.209 47.602 7.751 1.00 32.87 C ATOM 11 C GLN A 2 -13.877 46.355 7.196 1.00 25.79 C ATOM 12 O GLN A 2 -13.255 45.588 6.469 1.00 35.29 O ATOM 13 CB GLN A 2 -12.304 48.236 6.696 1.00 43.36 C ATOM 14 H GLN A 2 -11.494 46.868 8.855 1.00 0.00 H ATOM 15 N TYR A 3 -15.140 46.140 7.549 1.00 25.06 N ATOM 16 CA TYR A 3 -15.830 44.935 7.097 1.00 27.44 C ATOM 17 C TYR A 3 -16.179 45.029 5.624 1.00 27.20 C ATOM 18 O TYR A 3 -16.752 46.015 5.170 1.00 28.48 O ATOM 19 CB TYR A 3 -17.088 44.672 7.937 1.00 23.10 C ATOM 20 CG TYR A 3 -16.723 44.296 9.346 1.00 22.35 C ATOM 21 CD1 TYR A 3 -16.213 43.036 9.637 1.00 21.12 C ATOM 22 CD2 TYR A 3 -16.846 45.209 10.382 1.00 23.10 C ATOM 23 CE1 TYR A 3 -15.847 42.695 10.924 1.00 22.00 C ATOM 24 CE2 TYR A 3 -16.483 44.877 11.676 1.00 22.69 C ATOM 25 CZ TYR A 3 -15.982 43.624 11.940 1.00 23.92 C ATOM 26 OH TYR A 3 -15.616 43.305 13.224 1.00 21.22 O ATOM 27 HH TYR A 3 -14.905 43.924 13.527 1.00 0.00 H ATOM 28 H TYR A 3 -15.637 46.830 8.147 1.00 0.00 H ATOM 29 N GLU A 4 -15.816 43.990 4.882 1.00 24.57 N ATOM 30 CA GLU A 4 -16.134 43.914 3.468 1.00 32.15 C ATOM 31 C GLU A 4 -16.547 42.492 3.119 1.00 26.45 C ATOM 32 O GLU A 4 -15.959 41.523 3.604 1.00 30.48 O ATOM 33 CB GLU A 4 -14.943 44.356 2.611 1.00 42.03 C ATOM 34 CG GLU A 4 -14.409 45.763 2.911 1.00 46.99 C ATOM 35 CD GLU A 4 -15.404 46.877 2.594 1.00 50.41 C ATOM 36 OE1 GLU A 4 -16.304 46.667 1.755 1.00 56.57 O ATOM 37 OE2 GLU A 4 -15.280 47.976 3.181 1.00 48.88 O ATOM 38 H GLU A 4 -15.290 43.210 5.325 1.00 0.00 H ATOM 39 N ASP A 5 -17.575 42.371 2.288 1.00 29.01 N ATOM 40 CA ASP A 5 -18.017 41.058 1.841 1.00 23.82 C ATOM 41 C ASP A 5 -16.901 40.351 1.076 1.00 31.39 C ATOM 42 O ASP A 5 -16.359 40.895 0.112 1.00 29.78 O ATOM 43 CB ASP A 5 -19.262 41.184 0.972 1.00 33.24 C ATOM 44 CG ASP A 5 -19.822 39.839 0.570 1.00 44.20 C ATOM 45 OD1 ASP A 5 -19.282 39.231 -0.375 1.00 47.52 O ATOM 46 OD2 ASP A 5 -20.805 39.394 1.190 1.00 46.86 O ATOM 47 H ASP A 5 -18.069 43.222 1.953 1.00 0.00 H ATOM 48 N GLY A 6 -16.554 39.147 1.512 1.00 28.13 N ATOM 49 CA GLY A 6 -15.495 38.391 0.876 1.00 32.55 C ATOM 50 C GLY A 6 -14.235 38.420 1.713 1.00 34.51 C ATOM 51 O GLY A 6 -13.297 37.658 1.470 1.00 42.78 O ATOM 52 H GLY A 6 -17.053 38.738 2.328 1.00 0.00 H ATOM 53 N LYS A 7 -14.215 39.299 2.710 1.00 28.32 N ATOM 54 CA LYS A 7 -13.054 39.422 3.585 1.00 30.26 C ATOM 55 C LYS A 7 -13.270 38.705 4.916 1.00 30.08 C ATOM 56 O LYS A 7 -12.735 37.613 5.131 1.00 28.12 O ATOM 57 CB LYS A 7 -12.718 40.899 3.822 1.00 28.27 C ATOM 58 CG LYS A 7 -11.397 41.119 4.535 1.00 29.12 C ATOM 59 CD LYS A 7 -11.067 42.598 4.645 1.00 28.14 C ATOM 60 CE LYS A 7 -9.828 42.837 5.500 1.00 38.77 C ATOM 61 NZ LYS A 7 -8.613 42.163 4.958 1.00 42.46 N ATOM 62 HZ1 LYS A 7 -8.777 41.137 4.915 1.00 0.00 H ATOM 63 HZ2 LYS A 7 -8.415 42.524 4.003 1.00 0.00 H ATOM 64 HZ3 LYS A 7 -7.803 42.360 5.579 1.00 0.00 H ATOM 65 H LYS A 7 -15.042 39.910 2.869 1.00 0.00 H ATOM 66 N GLN A 8 -14.058 39.293 5.812 1.00 29.32 N ATOM 67 CA GLN A 8 -14.338 38.626 7.086 1.00 25.14 C ATOM 68 C GLN A 8 -15.540 37.703 6.991 1.00 18.06 C ATOM 69 O GLN A 8 -15.747 36.863 7.860 1.00 17.21 O ATOM 70 CB GLN A 8 -14.581 39.641 8.207 1.00 21.53 C ATOM 71 CG GLN A 8 -13.438 40.604 8.443 1.00 20.06 C ATOM 72 CD GLN A 8 -13.527 41.838 7.566 1.00 25.12 C ATOM 73 OE1 GLN A 8 -14.266 41.866 6.578 1.00 26.22 O ATOM 74 NE2 GLN A 8 -12.779 42.872 7.926 1.00 23.95 N ATOM 75 HE22 GLN A 8 -12.170 42.806 8.766 1.00 0.00 H ATOM 76 HE21 GLN A 8 -12.801 43.749 7.368 1.00 0.00 H ATOM 77 H GLN A 8 -14.474 40.224 5.609 1.00 0.00 H ATOM 78 N TYR A 9 -16.339 37.875 5.945 1.00 21.09 N ATOM 79 CA TYR A 9 -17.543 37.077 5.782 1.00 26.53 C ATOM 80 C TYR A 9 -17.973 37.029 4.329 1.00 22.30 C ATOM 81 O TYR A 9 -17.517 37.810 3.495 1.00 23.33 O ATOM 82 CB TYR A 9 -18.683 37.645 6.626 1.00 18.07 C ATOM 83 CG TYR A 9 -19.198 38.953 6.066 1.00 22.26 C ATOM 84 CD1 TYR A 9 -18.551 40.151 6.347 1.00 24.82 C ATOM 85 CD2 TYR A 9 -20.306 38.993 5.226 1.00 25.59 C ATOM 86 CE1 TYR A 9 -19.004 41.341 5.830 1.00 22.93 C ATOM 87 CE2 TYR A 9 -20.759 40.182 4.701 1.00 26.60 C ATOM 88 CZ TYR A 9 -20.107 41.355 5.009 1.00 31.12 C ATOM 89 OH TYR A 9 -20.555 42.549 4.488 1.00 34.19 O ATOM 90 HH TYR A 9 -19.976 43.285 4.809 1.00 0.00 H ATOM 91 H TYR A 9 -16.100 38.592 5.231 1.00 0.00 H ATOM 92 N THR A 10 -18.877 36.110 4.034 1.00 25.73 N ATOM 93 CA THR A 10 -19.499 36.055 2.722 1.00 23.60 C ATOM 94 C THR A 10 -21.004 36.043 2.916 1.00 24.57 C ATOM 95 O THR A 10 -21.498 35.834 4.029 1.00 21.02 O ATOM 96 CB THR A 10 -19.054 34.820 1.934 1.00 26.19 C ATOM 97 OG1 THR A 10 -19.321 33.646 2.706 1.00 22.02 O ATOM 98 CG2 THR A 10 -17.573 34.888 1.663 1.00 29.56 C ATOM 99 HG1 THR A 10 -18.822 33.693 3.560 1.00 0.00 H ATOM 100 H THR A 10 -19.148 35.412 4.756 1.00 0.00 H ATOM 101 N THR A 11 -21.727 36.275 1.829 1.00 23.98 N ATOM 102 CA THR A 11 -23.177 36.366 1.882 1.00 29.69 C ATOM 103 C THR A 11 -23.804 35.244 1.067 1.00 31.97 C ATOM 104 O THR A 11 -23.468 35.067 -0.101 1.00 29.61 O ATOM 105 CB THR A 11 -23.659 37.727 1.354 1.00 31.33 C ATOM 106 OG1 THR A 11 -22.989 38.774 2.067 1.00 29.02 O ATOM 107 CG2 THR A 11 -25.167 37.878 1.506 1.00 31.12 C ATOM 108 HG1 THR A 11 -22.012 38.692 1.931 1.00 0.00 H ATOM 109 H THR A 11 -21.245 36.395 0.915 1.00 0.00 H ATOM 110 N LEU A 12 -24.701 34.483 1.688 1.00 26.34 N ATOM 111 CA LEU A 12 -25.401 33.402 0.994 1.00 26.78 C ATOM 112 C LEU A 12 -26.266 33.907 -0.163 1.00 34.13 C ATOM 113 O LEU A 12 -26.895 34.962 -0.077 1.00 28.81 O ATOM 114 CB LEU A 12 -26.266 32.614 1.975 1.00 22.82 C ATOM 115 CG LEU A 12 -25.480 31.858 3.046 1.00 28.67 C ATOM 116 CD1 LEU A 12 -26.422 31.061 3.927 1.00 29.85 C ATOM 117 CD2 LEU A 12 -24.440 30.961 2.396 1.00 34.42 C ATOM 118 H LEU A 12 -24.910 34.661 2.691 1.00 0.00 H ATOM 119 N GLU A 13 -26.296 33.143 -1.248 1.00 37.21 N ATOM 120 CA GLU A 13 -27.104 33.507 -2.407 1.00 40.13 C ATOM 121 C GLU A 13 -28.594 33.460 -2.079 1.00 40.85 C ATOM 122 O GLU A 13 -29.362 34.350 -2.461 1.00 39.42 O ATOM 123 CB GLU A 13 -26.797 32.576 -3.580 1.00 45.88 C ATOM 124 CG GLU A 13 -25.345 32.584 -4.011 1.00 49.59 C ATOM 125 CD GLU A 13 -24.962 33.842 -4.772 1.00 52.39 C ATOM 126 OE1 GLU A 13 -25.602 34.140 -5.803 1.00 52.52 O ATOM 127 OE2 GLU A 13 -24.017 34.532 -4.335 1.00 54.43 O ATOM 128 H GLU A 13 -25.733 32.269 -1.272 1.00 0.00 H ATOM 129 N LYS A 14 -28.991 32.406 -1.372 1.00 36.75 N ATOM 130 CA LYS A 14 -30.378 32.207 -0.984 1.00 40.67 C ATOM 131 C LYS A 14 -30.469 32.015 0.524 1.00 43.83 C ATOM 132 O LYS A 14 -30.350 30.894 1.016 1.00 47.65 O ATOM 133 CB LYS A 14 -30.972 31.003 -1.714 1.00 47.78 C ATOM 134 H LYS A 14 -28.284 31.699 -1.086 1.00 0.00 H ATOM 135 N PRO A 15 -30.667 33.118 1.261 1.00 40.00 N ATOM 136 CA PRO A 15 -30.754 33.100 2.726 1.00 38.34 C ATOM 137 C PRO A 15 -31.809 32.121 3.231 1.00 41.08 C ATOM 138 O PRO A 15 -32.856 31.949 2.608 1.00 51.82 O ATOM 139 CB PRO A 15 -31.138 34.538 3.072 1.00 40.76 C ATOM 140 CG PRO A 15 -30.623 35.346 1.920 1.00 45.18 C ATOM 141 CD PRO A 15 -30.807 34.479 0.716 1.00 42.62 C ATOM 142 N VAL A 16 -31.521 31.482 4.355 1.00 39.32 N ATOM 143 CA VAL A 16 -32.406 30.474 4.924 1.00 42.52 C ATOM 144 C VAL A 16 -33.428 31.096 5.868 1.00 46.64 C ATOM 145 O VAL A 16 -33.066 31.856 6.766 1.00 50.96 O ATOM 146 CB VAL A 16 -31.596 29.403 5.688 1.00 38.92 C ATOM 147 CG1 VAL A 16 -32.515 28.343 6.253 1.00 31.55 C ATOM 148 CG2 VAL A 16 -30.539 28.784 4.775 1.00 42.42 C ATOM 149 H VAL A 16 -30.633 31.707 4.848 1.00 0.00 H ATOM 150 N ALA A 17 -34.704 30.780 5.667 1.00 46.19 N ATOM 151 CA ALA A 17 -35.740 31.285 6.559 1.00 44.19 C ATOM 152 C ALA A 17 -35.827 30.412 7.806 1.00 45.21 C ATOM 153 O ALA A 17 -35.580 29.203 7.750 1.00 43.21 O ATOM 154 CB ALA A 17 -37.079 31.344 5.850 1.00 50.85 C ATOM 155 H ALA A 17 -34.965 30.168 4.867 1.00 0.00 H ATOM 156 N GLY A 18 -36.152 31.032 8.935 1.00 46.66 N ATOM 157 CA GLY A 18 -36.311 30.311 10.185 1.00 45.93 C ATOM 158 C GLY A 18 -35.004 29.792 10.747 1.00 45.78 C ATOM 159 O GLY A 18 -34.990 28.917 11.619 1.00 42.59 O ATOM 160 H GLY A 18 -36.296 32.062 8.923 1.00 0.00 H ATOM 161 N ALA A 19 -33.900 30.342 10.250 1.00 42.36 N ATOM 162 CA ALA A 19 -32.571 29.927 10.679 1.00 45.24 C ATOM 163 C ALA A 19 -32.228 30.474 12.061 1.00 41.37 C ATOM 164 O ALA A 19 -32.633 31.584 12.413 1.00 36.45 O ATOM 165 CB ALA A 19 -31.532 30.375 9.662 1.00 46.34 C ATOM 166 H ALA A 19 -33.988 31.091 9.534 1.00 0.00 H ATOM 167 N PRO A 20 -31.479 29.686 12.851 1.00 42.24 N ATOM 168 CA PRO A 20 -30.948 30.146 14.139 1.00 38.21 C ATOM 169 C PRO A 20 -30.137 31.411 13.934 1.00 31.13 C ATOM 170 O PRO A 20 -29.498 31.559 12.890 1.00 34.38 O ATOM 171 CB PRO A 20 -30.050 28.987 14.590 1.00 38.77 C ATOM 172 CG PRO A 20 -30.571 27.796 13.864 1.00 41.53 C ATOM 173 CD PRO A 20 -31.050 28.311 12.539 1.00 43.38 C ATOM 174 N GLN A 21 -30.165 32.307 14.914 1.00 28.28 N ATOM 175 CA GLN A 21 -29.455 33.574 14.815 1.00 26.99 C ATOM 176 C GLN A 21 -27.955 33.335 14.642 1.00 23.27 C ATOM 177 O GLN A 21 -27.301 33.988 13.836 1.00 23.49 O ATOM 178 CB GLN A 21 -29.729 34.430 16.054 1.00 28.46 C ATOM 179 CG GLN A 21 -31.213 34.636 16.348 1.00 30.12 C ATOM 180 CD GLN A 21 -31.457 35.304 17.693 1.00 30.63 C ATOM 181 OE1 GLN A 21 -31.565 34.633 18.724 1.00 28.18 O ATOM 182 NE2 GLN A 21 -31.546 36.631 17.689 1.00 34.39 N ATOM 183 HE22 GLN A 21 -31.449 37.156 16.797 1.00 0.00 H ATOM 184 HE21 GLN A 21 -31.713 37.144 18.578 1.00 0.00 H ATOM 185 H GLN A 21 -30.709 32.098 15.775 1.00 0.00 H ATOM 186 N VAL A 22 -27.420 32.386 15.402 1.00 18.44 N ATOM 187 CA VAL A 22 -26.012 32.007 15.289 1.00 15.91 C ATOM 188 C VAL A 22 -25.968 30.489 15.226 1.00 20.80 C ATOM 189 O VAL A 22 -26.425 29.815 16.151 1.00 20.67 O ATOM 190 CB VAL A 22 -25.157 32.533 16.464 1.00 22.17 C ATOM 191 CG1 VAL A 22 -23.777 31.898 16.452 1.00 22.41 C ATOM 192 CG2 VAL A 22 -25.040 34.055 16.399 1.00 25.41 C ATOM 193 H VAL A 22 -28.020 31.898 16.098 1.00 0.00 H ATOM 194 N LEU A 23 -25.454 29.969 14.114 1.00 14.77 N ATOM 195 CA LEU A 23 -25.423 28.537 13.853 1.00 19.00 C ATOM 196 C LEU A 23 -24.015 28.087 13.480 1.00 16.06 C ATOM 197 O LEU A 23 -23.451 28.525 12.473 1.00 17.83 O ATOM 198 CB LEU A 23 -26.412 28.177 12.737 1.00 20.88 C ATOM 199 CG LEU A 23 -26.398 26.735 12.226 1.00 24.98 C ATOM 200 CD1 LEU A 23 -26.714 25.782 13.366 1.00 26.88 C ATOM 201 CD2 LEU A 23 -27.394 26.554 11.088 1.00 27.58 C ATOM 202 H LEU A 23 -25.057 30.613 13.401 1.00 0.00 H ATOM 203 N GLU A 24 -23.449 27.209 14.300 1.00 16.07 N ATOM 204 CA GLU A 24 -22.105 26.665 14.045 1.00 13.26 C ATOM 205 C GLU A 24 -22.185 25.226 13.578 1.00 16.14 C ATOM 206 O GLU A 24 -23.014 24.490 14.066 1.00 15.19 O ATOM 207 CB GLU A 24 -21.246 26.723 15.305 1.00 15.50 C ATOM 208 CG GLU A 24 -20.804 28.107 15.672 1.00 23.38 C ATOM 209 CD GLU A 24 -19.910 28.105 16.873 1.00 23.66 C ATOM 210 OE1 GLU A 24 -20.446 27.904 17.985 1.00 19.07 O ATOM 211 OE2 GLU A 24 -18.682 28.296 16.698 1.00 23.63 O ATOM 212 H GLU A 24 -23.969 26.897 15.145 1.00 0.00 H ATOM 213 N PHE A 25 -21.346 24.842 12.618 1.00 13.21 N ATOM 214 CA PHE A 25 -21.208 23.433 12.246 1.00 19.05 C ATOM 215 C PHE A 25 -19.797 22.968 12.554 1.00 11.73 C ATOM 216 O PHE A 25 -18.841 23.721 12.361 1.00 15.63 O ATOM 217 CB PHE A 25 -21.494 23.214 10.762 1.00 17.27 C ATOM 218 CG PHE A 25 -22.917 23.457 10.365 1.00 14.29 C ATOM 219 CD1 PHE A 25 -23.852 22.436 10.432 1.00 14.86 C ATOM 220 CD2 PHE A 25 -23.324 24.705 9.897 1.00 18.83 C ATOM 221 CE1 PHE A 25 -25.167 22.640 10.046 1.00 17.91 C ATOM 222 CE2 PHE A 25 -24.655 24.919 9.510 1.00 15.91 C ATOM 223 CZ PHE A 25 -25.569 23.885 9.585 1.00 20.75 C ATOM 224 H PHE A 25 -20.777 25.558 12.122 1.00 0.00 H ATOM 225 N PHE A 26 -19.661 21.730 13.030 1.00 15.29 N ATOM 226 CA PHE A 26 -18.346 21.161 13.314 1.00 14.04 C ATOM 227 C PHE A 26 -18.350 19.648 13.099 1.00 12.86 C ATOM 228 O PHE A 26 -19.392 19.047 12.874 1.00 13.78 O ATOM 229 CB PHE A 26 -17.924 21.477 14.750 1.00 15.73 C ATOM 230 CG PHE A 26 -18.560 20.572 15.779 1.00 13.83 C ATOM 231 CD1 PHE A 26 -19.915 20.674 16.078 1.00 12.34 C ATOM 232 CD2 PHE A 26 -17.801 19.614 16.439 1.00 15.15 C ATOM 233 CE1 PHE A 26 -20.506 19.837 17.010 1.00 11.66 C ATOM 234 CE2 PHE A 26 -18.382 18.779 17.388 1.00 12.07 C ATOM 235 CZ PHE A 26 -19.738 18.889 17.672 1.00 12.89 C ATOM 236 H PHE A 26 -20.511 21.156 13.203 1.00 0.00 H ATOM 237 N SER A 27 -17.167 19.050 13.174 1.00 12.17 N ATOM 238 CA SER A 27 -17.024 17.598 13.185 1.00 16.68 C ATOM 239 C SER A 27 -15.967 17.222 14.206 1.00 13.45 C ATOM 240 O SER A 27 -14.969 17.933 14.362 1.00 13.43 O ATOM 241 CB SER A 27 -16.627 17.067 11.809 1.00 13.91 C ATOM 242 OG SER A 27 -16.273 15.696 11.905 1.00 17.72 O ATOM 243 HG SER A 27 -17.046 15.180 12.245 1.00 0.00 H ATOM 244 H SER A 27 -16.311 19.638 13.227 1.00 0.00 H ATOM 245 N PHE A 28 -16.165 16.116 14.910 1.00 13.07 N ATOM 246 CA PHE A 28 -15.129 15.676 15.837 1.00 12.61 C ATOM 247 C PHE A 28 -13.886 15.159 15.115 1.00 15.24 C ATOM 248 O PHE A 28 -12.859 14.906 15.755 1.00 14.59 O ATOM 249 CB PHE A 28 -15.668 14.606 16.782 1.00 12.86 C ATOM 250 CG PHE A 28 -16.566 15.164 17.845 1.00 14.96 C ATOM 251 CD1 PHE A 28 -16.051 15.999 18.838 1.00 12.29 C ATOM 252 CD2 PHE A 28 -17.928 14.880 17.836 1.00 12.62 C ATOM 253 CE1 PHE A 28 -16.888 16.527 19.815 1.00 12.22 C ATOM 254 CE2 PHE A 28 -18.761 15.392 18.805 1.00 12.97 C ATOM 255 CZ PHE A 28 -18.243 16.221 19.794 1.00 12.34 C ATOM 256 H PHE A 28 -17.045 15.571 14.803 1.00 0.00 H ATOM 257 N PHE A 29 -13.971 15.027 13.791 1.00 15.21 N ATOM 258 CA PHE A 29 -12.816 14.631 12.978 1.00 16.84 C ATOM 259 C PHE A 29 -12.071 15.831 12.412 1.00 20.25 C ATOM 260 O PHE A 29 -11.020 15.678 11.785 1.00 23.39 O ATOM 261 CB PHE A 29 -13.237 13.734 11.810 1.00 19.60 C ATOM 262 CG PHE A 29 -13.451 12.312 12.189 1.00 20.36 C ATOM 263 CD1 PHE A 29 -14.708 11.865 12.557 1.00 21.98 C ATOM 264 CD2 PHE A 29 -12.397 11.412 12.188 1.00 19.33 C ATOM 265 CE1 PHE A 29 -14.903 10.537 12.909 1.00 27.44 C ATOM 266 CE2 PHE A 29 -12.596 10.093 12.536 1.00 25.90 C ATOM 267 CZ PHE A 29 -13.847 9.659 12.901 1.00 23.39 C ATOM 268 H PHE A 29 -14.881 15.210 13.322 1.00 0.00 H ATOM 269 N CYS A 30 -12.628 17.014 12.620 1.00 17.71 N ATOM 270 CA CYS A 30 -12.133 18.246 11.994 1.00 15.83 C ATOM 271 C CYS A 30 -11.000 18.902 12.801 1.00 17.82 C ATOM 272 O CYS A 30 -11.190 19.299 13.954 1.00 15.45 O ATOM 273 CB CYS A 30 -13.336 19.177 11.804 1.00 15.27 C ATOM 274 SG CYS A 30 -13.079 20.963 11.624 1.00 19.67 S ATOM 275 H CYS A 30 -13.451 17.073 13.253 1.00 0.00 H ATOM 276 N PRO A 31 -9.798 18.985 12.205 1.00 20.18 N ATOM 277 CA PRO A 31 -8.645 19.539 12.926 1.00 21.31 C ATOM 278 C PRO A 31 -8.851 20.977 13.398 1.00 21.88 C ATOM 279 O PRO A 31 -8.549 21.276 14.557 1.00 18.41 O ATOM 280 CB PRO A 31 -7.514 19.465 11.891 1.00 27.12 C ATOM 281 CG PRO A 31 -7.924 18.353 10.982 1.00 30.83 C ATOM 282 CD PRO A 31 -9.423 18.483 10.873 1.00 24.83 C ATOM 283 N HIS A 32 -9.351 21.862 12.539 1.00 20.42 N ATOM 284 CA HIS A 32 -9.549 23.236 12.975 1.00 20.95 C ATOM 285 C HIS A 32 -10.588 23.304 14.073 1.00 19.53 C ATOM 286 O HIS A 32 -10.490 24.149 14.964 1.00 15.70 O ATOM 287 CB HIS A 32 -9.971 24.143 11.820 1.00 21.53 C ATOM 288 CG HIS A 32 -8.903 24.361 10.799 1.00 25.99 C ATOM 289 ND1 HIS A 32 -8.961 25.379 9.873 1.00 25.46 N ATOM 290 CD2 HIS A 32 -7.762 23.681 10.539 1.00 25.81 C ATOM 291 CE1 HIS A 32 -7.898 25.324 9.093 1.00 27.60 C ATOM 292 NE2 HIS A 32 -7.154 24.300 9.475 1.00 22.87 N ATOM 293 H HIS A 32 -9.597 21.576 11.570 1.00 0.00 H ATOM 294 N CYS A 33 -11.583 22.415 14.009 1.00 18.69 N ATOM 295 CA CYS A 33 -12.642 22.369 15.011 1.00 11.96 C ATOM 296 C CYS A 33 -12.101 22.023 16.392 1.00 14.83 C ATOM 297 O CYS A 33 -12.600 22.524 17.400 1.00 13.28 O ATOM 298 CB CYS A 33 -13.723 21.350 14.627 1.00 13.87 C ATOM 299 SG CYS A 33 -14.459 21.642 12.975 1.00 19.27 S ATOM 300 H CYS A 33 -11.603 21.736 13.222 1.00 0.00 H ATOM 301 N TYR A 34 -11.095 21.153 16.419 1.00 15.37 N ATOM 302 CA TYR A 34 -10.411 20.786 17.655 1.00 13.14 C ATOM 303 C TYR A 34 -9.790 22.024 18.288 1.00 13.55 C ATOM 304 O TYR A 34 -9.925 22.258 19.484 1.00 17.63 O ATOM 305 CB TYR A 34 -9.344 19.730 17.371 1.00 16.33 C ATOM 306 CG TYR A 34 -8.685 19.094 18.573 1.00 16.17 C ATOM 307 CD1 TYR A 34 -7.655 19.735 19.248 1.00 16.89 C ATOM 308 CD2 TYR A 34 -9.038 17.816 18.989 1.00 14.65 C ATOM 309 CE1 TYR A 34 -7.021 19.141 20.333 1.00 18.94 C ATOM 310 CE2 TYR A 34 -8.415 17.213 20.069 1.00 15.44 C ATOM 311 CZ TYR A 34 -7.402 17.877 20.737 1.00 16.30 C ATOM 312 OH TYR A 34 -6.776 17.271 21.798 1.00 17.31 O ATOM 313 HH TYR A 34 -6.082 17.877 22.160 1.00 0.00 H ATOM 314 H TYR A 34 -10.785 20.718 15.527 1.00 0.00 H ATOM 315 N GLN A 35 -9.106 22.821 17.466 1.00 18.38 N ATOM 316 CA GLN A 35 -8.522 24.068 17.942 1.00 20.58 C ATOM 317 C GLN A 35 -9.590 25.075 18.377 1.00 19.50 C ATOM 318 O GLN A 35 -9.430 25.725 19.410 1.00 17.04 O ATOM 319 CB GLN A 35 -7.623 24.682 16.862 1.00 24.14 C ATOM 320 CG GLN A 35 -6.629 23.695 16.251 1.00 24.95 C ATOM 321 CD GLN A 35 -5.612 23.175 17.254 1.00 23.45 C ATOM 322 OE1 GLN A 35 -5.397 23.769 18.310 1.00 27.93 O ATOM 323 NE2 GLN A 35 -4.973 22.062 16.921 1.00 30.61 N ATOM 324 HE22 GLN A 35 -5.185 21.591 16.018 1.00 0.00 H ATOM 325 HE21 GLN A 35 -4.260 21.660 17.562 1.00 0.00 H ATOM 326 H GLN A 35 -8.988 22.548 16.469 1.00 0.00 H ATOM 327 N PHE A 36 -10.663 25.210 17.591 1.00 19.47 N ATOM 328 CA PHE A 36 -11.794 26.079 17.941 1.00 18.55 C ATOM 329 C PHE A 36 -12.357 25.757 19.316 1.00 21.01 C ATOM 330 O PHE A 36 -12.839 26.632 20.036 1.00 18.29 O ATOM 331 CB PHE A 36 -12.920 25.950 16.899 1.00 14.64 C ATOM 332 CG PHE A 36 -12.807 26.903 15.730 1.00 22.62 C ATOM 333 CD1 PHE A 36 -11.586 27.168 15.141 1.00 20.37 C ATOM 334 CD2 PHE A 36 -13.947 27.478 15.183 1.00 25.93 C ATOM 335 CE1 PHE A 36 -11.495 28.031 14.053 1.00 25.18 C ATOM 336 CE2 PHE A 36 -13.864 28.333 14.099 1.00 21.52 C ATOM 337 CZ PHE A 36 -12.639 28.607 13.532 1.00 21.81 C ATOM 338 H PHE A 36 -10.698 24.679 16.697 1.00 0.00 H ATOM 339 N GLU A 37 -12.317 24.479 19.677 1.00 12.93 N ATOM 340 CA GLU A 37 -12.779 24.051 20.987 1.00 12.88 C ATOM 341 C GLU A 37 -11.724 24.205 22.092 1.00 15.78 C ATOM 342 O GLU A 37 -11.958 24.878 23.101 1.00 22.44 O ATOM 343 CB GLU A 37 -13.233 22.588 20.914 1.00 19.58 C ATOM 344 CG GLU A 37 -13.641 22.008 22.269 1.00 19.91 C ATOM 345 CD GLU A 37 -14.787 22.781 22.898 1.00 18.75 C ATOM 346 OE1 GLU A 37 -15.718 23.172 22.168 1.00 15.92 O ATOM 347 OE2 GLU A 37 -14.743 23.029 24.118 1.00 17.98 O ATOM 348 H GLU A 37 -11.948 23.772 19.010 1.00 0.00 H ATOM 349 N GLU A 38 -10.560 23.585 21.899 1.00 17.04 N ATOM 350 CA GLU A 38 -9.610 23.392 22.998 1.00 17.27 C ATOM 351 C GLU A 38 -8.734 24.590 23.337 1.00 19.73 C ATOM 352 O GLU A 38 -8.441 24.806 24.513 1.00 19.35 O ATOM 353 CB GLU A 38 -8.708 22.194 22.702 1.00 19.12 C ATOM 354 CG GLU A 38 -9.459 20.860 22.688 1.00 21.00 C ATOM 355 CD GLU A 38 -8.830 19.837 23.616 1.00 20.29 C ATOM 356 OE1 GLU A 38 -9.396 18.734 23.761 1.00 20.14 O ATOM 357 OE2 GLU A 38 -7.770 20.122 24.188 1.00 20.43 O ATOM 358 H GLU A 38 -10.321 23.231 20.950 1.00 0.00 H ATOM 359 N VAL A 39 -8.296 25.355 22.335 1.00 21.71 N ATOM 360 CA VAL A 39 -7.353 26.448 22.619 1.00 21.12 C ATOM 361 C VAL A 39 -7.906 27.839 22.276 1.00 17.47 C ATOM 362 O VAL A 39 -7.474 28.836 22.865 1.00 20.34 O ATOM 363 CB VAL A 39 -6.003 26.247 21.882 1.00 25.83 C ATOM 364 CG1 VAL A 39 -5.414 24.884 22.224 1.00 30.36 C ATOM 365 CG2 VAL A 39 -6.155 26.408 20.372 1.00 27.36 C ATOM 366 H VAL A 39 -8.618 25.180 21.362 1.00 0.00 H ATOM 367 N LEU A 40 -8.869 27.902 21.362 1.00 17.60 N ATOM 368 CA LEU A 40 -9.435 29.186 20.950 1.00 19.74 C ATOM 369 C LEU A 40 -10.767 29.465 21.655 1.00 18.19 C ATOM 370 O LEU A 40 -11.107 30.619 21.900 1.00 20.61 O ATOM 371 CB LEU A 40 -9.623 29.220 19.434 1.00 15.33 C ATOM 372 CG LEU A 40 -8.366 29.033 18.587 1.00 15.90 C ATOM 373 CD1 LEU A 40 -8.712 29.124 17.095 1.00 16.74 C ATOM 374 CD2 LEU A 40 -7.272 30.053 18.965 1.00 19.84 C ATOM 375 H LEU A 40 -9.226 27.024 20.933 1.00 0.00 H ATOM 376 N HIS A 41 -11.504 28.407 21.992 1.00 18.30 N ATOM 377 CA HIS A 41 -12.811 28.548 22.641 1.00 19.19 C ATOM 378 C HIS A 41 -13.696 29.554 21.901 1.00 18.82 C ATOM 379 O HIS A 41 -14.235 30.486 22.501 1.00 19.83 O ATOM 380 CB HIS A 41 -12.631 28.966 24.097 1.00 21.04 C ATOM 381 CG HIS A 41 -11.683 28.089 24.853 1.00 22.80 C ATOM 382 ND1 HIS A 41 -12.001 26.800 25.225 1.00 22.90 N ATOM 383 CD2 HIS A 41 -10.422 28.310 25.295 1.00 24.90 C ATOM 384 CE1 HIS A 41 -10.977 26.265 25.867 1.00 26.52 C ATOM 385 NE2 HIS A 41 -10.009 27.161 25.928 1.00 31.57 N ATOM 386 H HIS A 41 -11.141 27.454 21.789 1.00 0.00 H ATOM 387 N ILE A 42 -13.825 29.356 20.592 1.00 16.47 N ATOM 388 CA ILE A 42 -14.573 30.283 19.732 1.00 16.79 C ATOM 389 C ILE A 42 -16.015 30.498 20.225 1.00 15.53 C ATOM 390 O ILE A 42 -16.466 31.626 20.350 1.00 16.79 O ATOM 391 CB ILE A 42 -14.601 29.777 18.273 1.00 17.50 C ATOM 392 CG1 ILE A 42 -13.238 29.975 17.615 1.00 19.48 C ATOM 393 CG2 ILE A 42 -15.700 30.476 17.468 1.00 18.53 C ATOM 394 CD1 ILE A 42 -12.856 31.445 17.427 1.00 18.55 C ATOM 395 H ILE A 42 -13.382 28.518 20.164 1.00 0.00 H ATOM 396 N SER A 43 -16.719 29.419 20.537 1.00 19.31 N ATOM 397 CA SER A 43 -18.123 29.533 20.925 1.00 20.09 C ATOM 398 C SER A 43 -18.294 30.359 22.190 1.00 19.74 C ATOM 399 O SER A 43 -19.163 31.227 22.251 1.00 22.05 O ATOM 400 CB SER A 43 -18.741 28.147 21.110 1.00 21.08 C ATOM 401 OG SER A 43 -18.663 27.429 19.895 1.00 18.53 O ATOM 402 HG SER A 43 -17.714 27.335 19.629 1.00 0.00 H ATOM 403 H SER A 43 -16.268 28.483 20.505 1.00 0.00 H ATOM 404 N ASP A 44 -17.460 30.093 23.193 1.00 21.53 N ATOM 405 CA ASP A 44 -17.487 30.843 24.450 1.00 16.98 C ATOM 406 C ASP A 44 -17.271 32.334 24.240 1.00 22.84 C ATOM 407 O ASP A 44 -17.914 33.181 24.876 1.00 24.73 O ATOM 408 CB ASP A 44 -16.396 30.338 25.416 1.00 18.42 C ATOM 409 CG ASP A 44 -16.709 28.984 25.993 1.00 27.27 C ATOM 410 OD1 ASP A 44 -17.859 28.524 25.848 1.00 28.28 O ATOM 411 OD2 ASP A 44 -15.803 28.381 26.603 1.00 25.54 O ATOM 412 H ASP A 44 -16.766 29.327 23.080 1.00 0.00 H ATOM 413 N ASN A 45 -16.315 32.660 23.383 1.00 18.39 N ATOM 414 CA ASN A 45 -15.970 34.046 23.186 1.00 22.22 C ATOM 415 C ASN A 45 -16.954 34.761 22.272 1.00 22.42 C ATOM 416 O ASN A 45 -17.153 35.966 22.392 1.00 22.21 O ATOM 417 CB ASN A 45 -14.543 34.163 22.655 1.00 23.60 C ATOM 418 CG ASN A 45 -13.510 33.932 23.739 1.00 21.76 C ATOM 419 OD1 ASN A 45 -13.236 34.826 24.536 1.00 25.91 O ATOM 420 ND2 ASN A 45 -12.932 32.735 23.777 1.00 21.82 N ATOM 421 HD22 ASN A 45 -13.195 32.008 23.081 1.00 0.00 H ATOM 422 HD21 ASN A 45 -12.217 32.526 24.502 1.00 0.00 H ATOM 423 H ASN A 45 -15.814 31.918 22.853 1.00 0.00 H ATOM 424 N VAL A 46 -17.588 34.025 21.370 1.00 22.67 N ATOM 425 CA VAL A 46 -18.665 34.615 20.590 1.00 22.40 C ATOM 426 C VAL A 46 -19.843 34.922 21.515 1.00 25.13 C ATOM 427 O VAL A 46 -20.412 36.014 21.482 1.00 24.60 O ATOM 428 CB VAL A 46 -19.100 33.692 19.440 1.00 21.65 C ATOM 429 CG1 VAL A 46 -20.394 34.178 18.817 1.00 15.19 C ATOM 430 CG2 VAL A 46 -17.986 33.585 18.386 1.00 19.19 C ATOM 431 H VAL A 46 -17.317 33.032 21.221 1.00 0.00 H ATOM 432 N LYS A 47 -20.184 33.960 22.369 1.00 21.47 N ATOM 433 CA LYS A 47 -21.267 34.137 23.336 1.00 24.06 C ATOM 434 C LYS A 47 -21.049 35.350 24.238 1.00 26.38 C ATOM 435 O LYS A 47 -21.980 36.096 24.539 1.00 31.05 O ATOM 436 CB LYS A 47 -21.411 32.876 24.180 1.00 25.09 C ATOM 437 CG LYS A 47 -22.368 32.981 25.360 1.00 35.05 C ATOM 438 CD LYS A 47 -22.277 31.723 26.217 1.00 40.04 C ATOM 439 CE LYS A 47 -20.837 31.475 26.660 1.00 38.88 C ATOM 440 NZ LYS A 47 -20.653 30.173 27.357 1.00 38.84 N ATOM 441 HZ1 LYS A 47 -21.252 30.148 28.207 1.00 0.00 H ATOM 442 HZ2 LYS A 47 -20.923 29.398 26.718 1.00 0.00 H ATOM 443 HZ3 LYS A 47 -19.656 30.066 27.631 1.00 0.00 H ATOM 444 H LYS A 47 -19.667 33.058 22.348 1.00 0.00 H ATOM 445 N LYS A 48 -19.804 35.552 24.648 1.00 23.62 N ATOM 446 CA LYS A 48 -19.449 36.634 25.550 1.00 31.69 C ATOM 447 C LYS A 48 -19.671 37.995 24.893 1.00 31.47 C ATOM 448 O LYS A 48 -20.131 38.940 25.541 1.00 29.01 O ATOM 449 CB LYS A 48 -17.994 36.461 25.994 1.00 29.55 C ATOM 450 CG LYS A 48 -17.538 37.360 27.125 1.00 44.08 C ATOM 451 CD LYS A 48 -16.366 36.718 27.860 1.00 48.54 C ATOM 452 CE LYS A 48 -15.318 36.195 26.883 1.00 53.79 C ATOM 453 NZ LYS A 48 -14.284 35.345 27.550 1.00 58.15 N ATOM 454 HZ1 LYS A 48 -13.793 35.904 28.277 1.00 0.00 H ATOM 455 HZ2 LYS A 48 -14.745 34.525 27.994 1.00 0.00 H ATOM 456 HZ3 LYS A 48 -13.597 35.016 26.841 1.00 0.00 H ATOM 457 H LYS A 48 -19.055 34.913 24.312 1.00 0.00 H ATOM 458 N LYS A 49 -19.363 38.080 23.599 1.00 23.36 N ATOM 459 CA LYS A 49 -19.410 39.336 22.857 1.00 23.28 C ATOM 460 C LYS A 49 -20.842 39.720 22.504 1.00 29.76 C ATOM 461 O LYS A 49 -21.183 40.906 22.413 1.00 33.49 O ATOM 462 CB LYS A 49 -18.560 39.232 21.579 1.00 24.71 C ATOM 463 CG LYS A 49 -18.241 40.569 20.915 1.00 33.25 C ATOM 464 H LYS A 49 -19.077 37.215 23.097 1.00 0.00 H ATOM 465 N LEU A 50 -21.677 38.707 22.320 1.00 24.19 N ATOM 466 CA LEU A 50 -23.070 38.910 21.934 1.00 33.89 C ATOM 467 C LEU A 50 -23.961 39.213 23.140 1.00 38.42 C ATOM 468 O LEU A 50 -23.643 38.828 24.267 1.00 42.72 O ATOM 469 CB LEU A 50 -23.589 37.673 21.196 1.00 32.74 C ATOM 470 CG LEU A 50 -22.970 37.405 19.826 1.00 26.31 C ATOM 471 CD1 LEU A 50 -23.525 36.110 19.254 1.00 23.88 C ATOM 472 CD2 LEU A 50 -23.204 38.585 18.878 1.00 25.57 C ATOM 473 H LEU A 50 -21.328 37.736 22.455 1.00 0.00 H ATOM 474 N PRO A 51 -25.081 39.912 22.903 1.00 36.48 N ATOM 475 CA PRO A 51 -26.053 40.194 23.962 1.00 33.63 C ATOM 476 C PRO A 51 -26.603 38.915 24.580 1.00 38.64 C ATOM 477 O PRO A 51 -26.718 37.900 23.886 1.00 38.71 O ATOM 478 CB PRO A 51 -27.162 40.955 23.227 1.00 30.24 C ATOM 479 CG PRO A 51 -26.488 41.544 22.037 1.00 36.55 C ATOM 480 CD PRO A 51 -25.452 40.553 21.629 1.00 31.69 C ATOM 481 N GLU A 52 -26.917 38.956 25.868 1.00 40.88 N ATOM 482 CA GLU A 52 -27.602 37.842 26.503 1.00 45.15 C ATOM 483 C GLU A 52 -28.942 37.658 25.809 1.00 52.21 C ATOM 484 O GLU A 52 -29.677 38.625 25.603 1.00 57.98 O ATOM 485 CB GLU A 52 -27.792 38.089 28.004 1.00 49.36 C ATOM 486 H GLU A 52 -26.670 39.795 26.430 1.00 0.00 H ATOM 487 N GLY A 53 -29.250 36.426 25.422 1.00 53.32 N ATOM 488 CA GLY A 53 -30.517 36.145 24.773 1.00 61.30 C ATOM 489 C GLY A 53 -30.380 35.868 23.289 1.00 62.83 C ATOM 490 O GLY A 53 -31.370 35.612 22.599 1.00 65.16 O ATOM 491 H GLY A 53 -28.575 35.652 25.586 1.00 0.00 H ATOM 492 N VAL A 54 -29.152 35.933 22.791 1.00 58.81 N ATOM 493 CA VAL A 54 -28.889 35.547 21.415 1.00 56.97 C ATOM 494 C VAL A 54 -28.716 34.034 21.367 1.00 56.45 C ATOM 495 O VAL A 54 -27.867 33.471 22.061 1.00 60.41 O ATOM 496 CB VAL A 54 -27.645 36.243 20.845 1.00 56.90 C ATOM 497 CG1 VAL A 54 -27.244 35.612 19.515 1.00 54.99 C ATOM 498 CG2 VAL A 54 -27.902 37.734 20.688 1.00 56.92 C ATOM 499 H VAL A 54 -28.370 36.264 23.391 1.00 0.00 H ATOM 500 N LYS A 55 -29.544 33.380 20.564 1.00 47.66 N ATOM 501 CA LYS A 55 -29.521 31.929 20.462 1.00 40.07 C ATOM 502 C LYS A 55 -28.294 31.462 19.697 1.00 25.42 C ATOM 503 O LYS A 55 -28.106 31.841 18.543 1.00 27.46 O ATOM 504 CB LYS A 55 -30.796 31.431 19.771 1.00 46.13 C ATOM 505 CG LYS A 55 -30.925 29.920 19.674 1.00 47.75 C ATOM 506 CD LYS A 55 -31.340 29.315 21.000 1.00 51.03 C ATOM 507 CE LYS A 55 -31.459 27.804 20.908 1.00 53.92 C ATOM 508 NZ LYS A 55 -32.531 27.376 19.965 1.00 59.31 N ATOM 509 HZ1 LYS A 55 -33.445 27.752 20.288 1.00 0.00 H ATOM 510 HZ2 LYS A 55 -32.321 27.741 19.014 1.00 0.00 H ATOM 511 HZ3 LYS A 55 -32.572 26.337 19.937 1.00 0.00 H ATOM 512 H LYS A 55 -30.227 33.918 19.993 1.00 0.00 H ATOM 513 N MET A 56 -27.467 30.628 20.327 1.00 24.25 N ATOM 514 CA MET A 56 -26.369 29.980 19.612 1.00 20.43 C ATOM 515 C MET A 56 -26.659 28.489 19.473 1.00 17.67 C ATOM 516 O MET A 56 -27.065 27.826 20.425 1.00 18.51 O ATOM 517 CB MET A 56 -25.030 30.205 20.320 1.00 19.63 C ATOM 518 CG MET A 56 -24.549 31.645 20.252 1.00 26.39 C ATOM 519 SD MET A 56 -22.926 31.930 20.996 1.00 27.81 S ATOM 520 CE MET A 56 -21.840 31.077 19.860 1.00 20.62 C ATOM 521 H MET A 56 -27.605 30.436 21.340 1.00 0.00 H ATOM 522 N THR A 57 -26.468 27.980 18.264 1.00 16.94 N ATOM 523 CA THR A 57 -26.752 26.585 17.965 1.00 19.71 C ATOM 524 C THR A 57 -25.518 25.942 17.348 1.00 17.23 C ATOM 525 O THR A 57 -24.814 26.572 16.558 1.00 19.55 O ATOM 526 CB THR A 57 -27.959 26.464 17.017 1.00 24.53 C ATOM 527 OG1 THR A 57 -29.119 27.025 17.655 1.00 23.15 O ATOM 528 CG2 THR A 57 -28.219 25.005 16.652 1.00 24.84 C ATOM 529 HG1 THR A 57 -29.897 26.949 17.048 1.00 0.00 H ATOM 530 H THR A 57 -26.105 28.595 17.508 1.00 0.00 H ATOM 531 N LYS A 58 -25.235 24.700 17.734 1.00 16.45 N ATOM 532 CA LYS A 58 -24.075 23.986 17.201 1.00 15.69 C ATOM 533 C LYS A 58 -24.484 22.576 16.759 1.00 14.99 C ATOM 534 O LYS A 58 -25.011 21.792 17.558 1.00 13.51 O ATOM 535 CB LYS A 58 -22.944 23.912 18.243 1.00 12.43 C ATOM 536 CG LYS A 58 -21.700 23.213 17.715 1.00 12.76 C ATOM 537 CD LYS A 58 -20.564 23.221 18.729 1.00 17.19 C ATOM 538 CE LYS A 58 -19.977 24.610 18.894 1.00 20.73 C ATOM 539 NZ LYS A 58 -18.912 24.640 19.939 1.00 17.56 N ATOM 540 HZ1 LYS A 58 -19.315 24.344 20.851 1.00 0.00 H ATOM 541 HZ2 LYS A 58 -18.146 23.990 19.670 1.00 0.00 H ATOM 542 HZ3 LYS A 58 -18.536 25.606 20.022 1.00 0.00 H ATOM 543 H LYS A 58 -25.850 24.228 18.427 1.00 0.00 H ATOM 544 N TYR A 59 -24.214 22.269 15.489 1.00 13.63 N ATOM 545 CA TYR A 59 -24.563 20.982 14.889 1.00 14.85 C ATOM 546 C TYR A 59 -23.318 20.249 14.379 1.00 12.90 C ATOM 547 O TYR A 59 -22.344 20.877 13.985 1.00 16.34 O ATOM 548 CB TYR A 59 -25.538 21.179 13.728 1.00 14.24 C ATOM 549 CG TYR A 59 -26.956 21.570 14.108 1.00 17.72 C ATOM 550 CD1 TYR A 59 -27.456 21.333 15.382 1.00 15.43 C ATOM 551 CD2 TYR A 59 -27.800 22.158 13.171 1.00 18.66 C ATOM 552 CE1 TYR A 59 -28.774 21.675 15.707 1.00 18.98 C ATOM 553 CE2 TYR A 59 -29.105 22.501 13.487 1.00 22.12 C ATOM 554 CZ TYR A 59 -29.585 22.266 14.757 1.00 21.91 C ATOM 555 OH TYR A 59 -30.890 22.612 15.072 1.00 23.75 O ATOM 556 HH TYR A 59 -31.073 22.378 16.016 1.00 0.00 H ATOM 557 H TYR A 59 -23.733 22.978 14.899 1.00 0.00 H ATOM 558 N HIS A 60 -23.380 18.918 14.397 1.00 15.85 N ATOM 559 CA HIS A 60 -22.318 18.041 13.910 1.00 13.84 C ATOM 560 C HIS A 60 -22.634 17.617 12.477 1.00 16.61 C ATOM 561 O HIS A 60 -23.798 17.521 12.088 1.00 17.78 O ATOM 562 CB HIS A 60 -22.179 16.801 14.814 1.00 13.61 C ATOM 563 CG HIS A 60 -20.937 16.000 14.576 1.00 14.58 C ATOM 564 ND1 HIS A 60 -20.874 14.960 13.673 1.00 15.28 N ATOM 565 CD2 HIS A 60 -19.703 16.081 15.139 1.00 15.11 C ATOM 566 CE1 HIS A 60 -19.658 14.443 13.682 1.00 14.03 C ATOM 567 NE2 HIS A 60 -18.931 15.100 14.570 1.00 15.38 N ATOM 568 H HIS A 60 -24.239 18.476 14.782 1.00 0.00 H ATOM 569 N VAL A 61 -21.595 17.380 11.683 1.00 13.89 N ATOM 570 CA VAL A 61 -21.781 17.042 10.285 1.00 14.85 C ATOM 571 C VAL A 61 -21.310 15.628 9.973 1.00 32.78 C ATOM 572 O VAL A 61 -20.538 15.039 10.733 1.00 27.52 O ATOM 573 CB VAL A 61 -21.047 18.036 9.391 1.00 18.46 C ATOM 574 CG1 VAL A 61 -21.577 19.432 9.636 1.00 21.64 C ATOM 575 CG2 VAL A 61 -19.557 17.986 9.673 1.00 14.19 C ATOM 576 H VAL A 61 -20.632 17.438 12.071 1.00 0.00 H ATOM 577 N ASN A 62 -21.803 15.093 8.855 1.00 41.93 N ATOM 578 CA ASN A 62 -21.569 13.704 8.467 1.00 42.76 C ATOM 579 C ASN A 62 -20.317 13.478 7.629 1.00 40.62 C ATOM 580 O ASN A 62 -19.712 12.407 7.697 1.00 48.64 O ATOM 581 CB ASN A 62 -22.769 13.166 7.677 1.00 46.09 C ATOM 582 CG ASN A 62 -24.015 13.034 8.520 1.00 45.14 C ATOM 583 OD1 ASN A 62 -23.942 12.911 9.740 1.00 37.43 O ATOM 584 ND2 ASN A 62 -25.171 13.044 7.868 1.00 48.50 N ATOM 585 HD22 ASN A 62 -25.184 13.151 6.834 1.00 0.00 H ATOM 586 HD21 ASN A 62 -26.064 12.945 8.392 1.00 0.00 H ATOM 587 H ASN A 62 -22.380 15.692 8.231 1.00 0.00 H ATOM 588 N PHE A 63 -19.936 14.481 6.840 1.00 32.19 N ATOM 589 CA PHE A 63 -19.022 14.256 5.722 1.00 45.19 C ATOM 590 C PHE A 63 -17.555 14.084 6.110 1.00 43.48 C ATOM 591 O PHE A 63 -16.669 14.184 5.261 1.00 42.28 O ATOM 592 CB PHE A 63 -19.150 15.386 4.688 1.00 50.47 C ATOM 593 CG PHE A 63 -19.026 16.770 5.263 1.00 51.08 C ATOM 594 CD1 PHE A 63 -17.778 17.323 5.522 1.00 45.66 C ATOM 595 CD2 PHE A 63 -20.156 17.532 5.509 1.00 51.37 C ATOM 596 CE1 PHE A 63 -17.664 18.599 6.039 1.00 42.63 C ATOM 597 CE2 PHE A 63 -20.047 18.815 6.027 1.00 48.18 C ATOM 598 CZ PHE A 63 -18.799 19.348 6.291 1.00 41.25 C ATOM 599 H PHE A 63 -20.295 15.440 7.022 1.00 0.00 H ATOM 600 N MET A 64 -17.304 13.815 7.385 1.00 39.61 N ATOM 601 CA MET A 64 -15.954 13.505 7.858 1.00 35.15 C ATOM 602 C MET A 64 -15.989 12.253 8.735 1.00 34.00 C ATOM 603 O MET A 64 -16.859 12.120 9.598 1.00 36.74 O ATOM 604 CB MET A 64 -15.347 14.692 8.636 1.00 29.50 C ATOM 605 CG MET A 64 -15.217 15.974 7.813 1.00 33.44 C ATOM 606 SD MET A 64 -14.142 17.235 8.535 1.00 25.31 S ATOM 607 CE MET A 64 -12.522 16.510 8.306 1.00 21.57 C ATOM 608 H MET A 64 -18.089 13.825 8.067 1.00 0.00 H ATOM 609 N GLY A 65 -15.060 11.328 8.506 1.00 26.38 N ATOM 610 CA GLY A 65 -14.911 10.173 9.380 1.00 21.07 C ATOM 611 C GLY A 65 -15.607 8.865 9.049 1.00 20.20 C ATOM 612 O GLY A 65 -15.648 7.964 9.885 1.00 25.72 O ATOM 613 H GLY A 65 -14.428 11.432 7.687 1.00 0.00 H ATOM 614 N GLY A 66 -16.139 8.724 7.839 1.00 27.11 N ATOM 615 CA GLY A 66 -16.804 7.489 7.453 1.00 31.64 C ATOM 616 C GLY A 66 -17.975 7.063 8.323 1.00 30.60 C ATOM 617 O GLY A 66 -18.718 7.893 8.829 1.00 32.33 O ATOM 618 H GLY A 66 -16.079 9.508 7.158 1.00 0.00 H ATOM 619 N ASP A 67 -18.129 5.753 8.504 1.00 31.61 N ATOM 620 CA ASP A 67 -19.234 5.197 9.280 1.00 31.55 C ATOM 621 C ASP A 67 -19.291 5.790 10.686 1.00 30.08 C ATOM 622 O ASP A 67 -20.367 6.051 11.223 1.00 25.75 O ATOM 623 CB ASP A 67 -19.115 3.666 9.353 1.00 36.49 C ATOM 624 CG ASP A 67 -19.802 2.970 8.188 1.00 49.37 C ATOM 625 OD1 ASP A 67 -19.783 3.529 7.069 1.00 57.50 O ATOM 626 OD2 ASP A 67 -20.360 1.868 8.391 1.00 47.70 O ATOM 627 H ASP A 67 -17.438 5.103 8.078 1.00 0.00 H ATOM 628 N LEU A 68 -18.125 6.031 11.269 1.00 31.13 N ATOM 629 CA LEU A 68 -18.056 6.580 12.614 1.00 28.72 C ATOM 630 C LEU A 68 -18.539 8.037 12.634 1.00 31.30 C ATOM 631 O LEU A 68 -19.046 8.520 13.650 1.00 24.75 O ATOM 632 CB LEU A 68 -16.633 6.459 13.152 1.00 27.13 C ATOM 633 CG LEU A 68 -16.434 6.765 14.628 1.00 31.78 C ATOM 634 CD1 LEU A 68 -17.401 5.947 15.476 1.00 34.41 C ATOM 635 CD2 LEU A 68 -14.994 6.479 15.020 1.00 35.97 C ATOM 636 H LEU A 68 -17.245 5.824 10.756 1.00 0.00 H ATOM 637 N GLY A 69 -18.403 8.725 11.503 1.00 27.60 N ATOM 638 CA GLY A 69 -18.858 10.100 11.388 1.00 29.06 C ATOM 639 C GLY A 69 -20.364 10.237 11.547 1.00 27.95 C ATOM 640 O GLY A 69 -20.844 11.144 12.225 1.00 24.34 O ATOM 641 H GLY A 69 -17.960 8.267 10.681 1.00 0.00 H ATOM 642 N LYS A 70 -21.115 9.331 10.925 1.00 22.77 N ATOM 643 CA LYS A 70 -22.569 9.332 11.063 1.00 19.04 C ATOM 644 C LYS A 70 -22.952 9.060 12.510 1.00 21.19 C ATOM 645 O LYS A 70 -23.865 9.688 13.052 1.00 21.68 O ATOM 646 CB LYS A 70 -23.204 8.290 10.140 1.00 24.29 C ATOM 647 H LYS A 70 -20.659 8.610 10.331 1.00 0.00 H ATOM 648 N ASP A 71 -22.250 8.114 13.124 1.00 20.85 N ATOM 649 CA ASP A 71 -22.494 7.765 14.519 1.00 15.03 C ATOM 650 C ASP A 71 -22.233 8.944 15.444 1.00 12.53 C ATOM 651 O ASP A 71 -22.914 9.105 16.449 1.00 14.52 O ATOM 652 CB ASP A 71 -21.621 6.583 14.943 1.00 18.43 C ATOM 653 CG ASP A 71 -22.063 5.279 14.311 1.00 26.40 C ATOM 654 OD1 ASP A 71 -23.251 5.170 13.961 1.00 24.74 O ATOM 655 OD2 ASP A 71 -21.230 4.365 14.180 1.00 29.32 O ATOM 656 H ASP A 71 -21.508 7.610 12.597 1.00 0.00 H ATOM 657 N LEU A 72 -21.216 9.747 15.130 1.00 15.62 N ATOM 658 CA LEU A 72 -20.900 10.902 15.965 1.00 14.32 C ATOM 659 C LEU A 72 -21.973 11.980 15.808 1.00 12.48 C ATOM 660 O LEU A 72 -22.253 12.736 16.743 1.00 13.08 O ATOM 661 CB LEU A 72 -19.501 11.452 15.619 1.00 17.24 C ATOM 662 CG LEU A 72 -18.372 10.590 16.207 1.00 18.60 C ATOM 663 CD1 LEU A 72 -17.021 10.836 15.517 1.00 17.89 C ATOM 664 CD2 LEU A 72 -18.266 10.862 17.702 1.00 20.39 C ATOM 665 H LEU A 72 -20.644 9.549 14.284 1.00 0.00 H ATOM 666 N THR A 73 -22.578 12.060 14.627 1.00 13.62 N ATOM 667 CA THR A 73 -23.690 12.984 14.441 1.00 13.35 C ATOM 668 C THR A 73 -24.877 12.538 15.311 1.00 13.71 C ATOM 669 O THR A 73 -25.561 13.361 15.918 1.00 11.25 O ATOM 670 CB THR A 73 -24.117 13.078 12.958 1.00 17.46 C ATOM 671 OG1 THR A 73 -23.040 13.645 12.199 1.00 14.12 O ATOM 672 CG2 THR A 73 -25.338 13.987 12.807 1.00 17.18 C ATOM 673 HG1 THR A 73 -23.306 13.708 11.248 1.00 0.00 H ATOM 674 H THR A 73 -22.258 11.464 13.837 1.00 0.00 H ATOM 675 N GLN A 74 -25.126 11.234 15.357 1.00 15.31 N ATOM 676 CA GLN A 74 -26.180 10.706 16.223 1.00 15.00 C ATOM 677 C GLN A 74 -25.825 10.897 17.705 1.00 17.03 C ATOM 678 O GLN A 74 -26.687 11.201 18.543 1.00 15.16 O ATOM 679 CB GLN A 74 -26.424 9.222 15.909 1.00 13.38 C ATOM 680 CG GLN A 74 -27.603 8.598 16.655 1.00 14.00 C ATOM 681 CD GLN A 74 -28.057 7.299 16.022 1.00 21.33 C ATOM 682 OE1 GLN A 74 -27.603 6.932 14.933 1.00 20.08 O ATOM 683 NE2 GLN A 74 -28.965 6.592 16.696 1.00 19.30 N ATOM 684 HE22 GLN A 74 -29.320 6.939 17.610 1.00 0.00 H ATOM 685 HE21 GLN A 74 -29.318 5.694 16.308 1.00 0.00 H ATOM 686 H GLN A 74 -24.566 10.582 14.771 1.00 0.00 H ATOM 687 N ALA A 75 -24.549 10.723 18.028 1.00 14.78 N ATOM 688 CA ALA A 75 -24.082 10.934 19.391 1.00 11.07 C ATOM 689 C ALA A 75 -24.248 12.400 19.795 1.00 11.75 C ATOM 690 O ALA A 75 -24.576 12.700 20.940 1.00 10.46 O ATOM 691 CB ALA A 75 -22.633 10.513 19.521 1.00 15.66 C ATOM 692 H ALA A 75 -23.871 10.431 17.295 1.00 0.00 H ATOM 693 N TRP A 76 -24.015 13.315 18.857 1.00 11.79 N ATOM 694 CA TRP A 76 -24.162 14.736 19.162 1.00 11.69 C ATOM 695 C TRP A 76 -25.638 15.060 19.381 1.00 13.63 C ATOM 696 O TRP A 76 -25.972 15.889 20.228 1.00 11.65 O ATOM 697 CB TRP A 76 -23.567 15.622 18.053 1.00 11.04 C ATOM 698 CG TRP A 76 -23.544 17.082 18.424 1.00 14.09 C ATOM 699 CD1 TRP A 76 -24.249 18.100 17.836 1.00 12.68 C ATOM 700 CD2 TRP A 76 -22.776 17.680 19.475 1.00 11.27 C ATOM 701 NE1 TRP A 76 -23.975 19.295 18.470 1.00 14.28 N ATOM 702 CE2 TRP A 76 -23.070 19.067 19.470 1.00 15.15 C ATOM 703 CE3 TRP A 76 -21.872 17.181 20.418 1.00 13.58 C ATOM 704 CZ2 TRP A 76 -22.481 19.953 20.378 1.00 10.37 C ATOM 705 CZ3 TRP A 76 -21.299 18.063 21.322 1.00 14.12 C ATOM 706 CH2 TRP A 76 -21.608 19.431 21.294 1.00 11.61 C ATOM 707 HE1 TRP A 76 -24.389 20.218 18.227 1.00 0.00 H ATOM 708 H TRP A 76 -23.727 13.017 17.903 1.00 0.00 H ATOM 709 N ALA A 77 -26.521 14.388 18.636 1.00 11.73 N ATOM 710 CA ALA A 77 -27.958 14.525 18.878 1.00 12.75 C ATOM 711 C ALA A 77 -28.315 14.062 20.289 1.00 11.50 C ATOM 712 O ALA A 77 -29.118 14.700 20.970 1.00 15.59 O ATOM 713 CB ALA A 77 -28.764 13.740 17.859 1.00 11.99 C ATOM 714 H ALA A 77 -26.184 13.762 17.877 1.00 0.00 H ATOM 715 N VAL A 78 -27.762 12.924 20.709 1.00 15.29 N ATOM 716 CA VAL A 78 -27.951 12.468 22.086 1.00 12.93 C ATOM 717 C VAL A 78 -27.486 13.531 23.073 1.00 15.01 C ATOM 718 O VAL A 78 -28.177 13.829 24.041 1.00 14.08 O ATOM 719 CB VAL A 78 -27.196 11.142 22.357 1.00 13.08 C ATOM 720 CG1 VAL A 78 -27.189 10.816 23.829 1.00 13.67 C ATOM 721 CG2 VAL A 78 -27.846 10.008 21.595 1.00 14.57 C ATOM 722 H VAL A 78 -27.191 12.355 20.052 1.00 0.00 H ATOM 723 N ALA A 79 -26.323 14.125 22.814 1.00 10.82 N ATOM 724 CA ALA A 79 -25.799 15.144 23.723 1.00 12.35 C ATOM 725 C ALA A 79 -26.721 16.350 23.779 1.00 11.27 C ATOM 726 O ALA A 79 -26.937 16.906 24.852 1.00 14.76 O ATOM 727 CB ALA A 79 -24.392 15.565 23.311 1.00 14.66 C ATOM 728 H ALA A 79 -25.786 13.864 21.963 1.00 0.00 H ATOM 729 N MET A 80 -27.274 16.747 22.639 1.00 11.49 N ATOM 730 CA MET A 80 -28.211 17.874 22.620 1.00 11.68 C ATOM 731 C MET A 80 -29.505 17.536 23.354 1.00 15.12 C ATOM 732 O MET A 80 -30.041 18.360 24.087 1.00 16.09 O ATOM 733 CB MET A 80 -28.515 18.302 21.187 1.00 11.76 C ATOM 734 CG MET A 80 -27.322 18.999 20.536 1.00 13.63 C ATOM 735 SD MET A 80 -27.732 19.692 18.933 1.00 15.69 S ATOM 736 CE MET A 80 -27.939 18.205 17.962 1.00 20.35 C ATOM 737 H MET A 80 -27.041 16.255 21.753 1.00 0.00 H ATOM 738 N ALA A 81 -30.016 16.331 23.135 1.00 13.91 N ATOM 739 CA ALA A 81 -31.254 15.902 23.781 1.00 14.77 C ATOM 740 C ALA A 81 -31.116 15.877 25.303 1.00 17.16 C ATOM 741 O ALA A 81 -32.030 16.286 26.017 1.00 17.70 O ATOM 742 CB ALA A 81 -31.667 14.533 23.275 1.00 16.97 C ATOM 743 H ALA A 81 -29.525 15.679 22.490 1.00 0.00 H ATOM 744 N LEU A 82 -29.974 15.389 25.791 1.00 15.67 N ATOM 745 CA LEU A 82 -29.751 15.218 27.225 1.00 13.59 C ATOM 746 C LEU A 82 -29.147 16.467 27.846 1.00 17.67 C ATOM 747 O LEU A 82 -29.089 16.591 29.070 1.00 23.04 O ATOM 748 CB LEU A 82 -28.836 14.030 27.497 1.00 16.70 C ATOM 749 CG LEU A 82 -29.323 12.661 27.053 1.00 17.32 C ATOM 750 CD1 LEU A 82 -28.228 11.631 27.351 1.00 17.16 C ATOM 751 CD2 LEU A 82 -30.631 12.314 27.747 1.00 24.12 C ATOM 752 H LEU A 82 -29.218 15.122 25.129 1.00 0.00 H ATOM 753 N GLY A 83 -28.681 17.377 26.993 1.00 14.81 N ATOM 754 CA GLY A 83 -28.105 18.632 27.447 1.00 22.75 C ATOM 755 C GLY A 83 -26.732 18.467 28.075 1.00 20.89 C ATOM 756 O GLY A 83 -26.358 19.203 29.009 1.00 18.32 O ATOM 757 H GLY A 83 -28.731 17.184 25.972 1.00 0.00 H ATOM 758 N VAL A 84 -25.968 17.510 27.559 1.00 18.22 N ATOM 759 CA VAL A 84 -24.660 17.211 28.124 1.00 14.11 C ATOM 760 C VAL A 84 -23.529 17.490 27.127 1.00 14.27 C ATOM 761 O VAL A 84 -22.460 16.893 27.214 1.00 16.69 O ATOM 762 CB VAL A 84 -24.591 15.734 28.603 1.00 15.05 C ATOM 763 CG1 VAL A 84 -25.595 15.484 29.753 1.00 16.44 C ATOM 764 CG2 VAL A 84 -24.847 14.780 27.434 1.00 15.20 C ATOM 765 H VAL A 84 -26.309 16.967 26.740 1.00 0.00 H ATOM 766 N GLU A 85 -23.769 18.402 26.182 1.00 12.20 N ATOM 767 CA GLU A 85 -22.743 18.813 25.233 1.00 14.73 C ATOM 768 C GLU A 85 -21.428 19.167 25.920 1.00 16.18 C ATOM 769 O GLU A 85 -20.365 18.732 25.485 1.00 17.29 O ATOM 770 CB GLU A 85 -23.209 20.016 24.400 1.00 15.71 C ATOM 771 CG GLU A 85 -24.494 19.774 23.594 1.00 13.56 C ATOM 772 CD GLU A 85 -25.733 20.301 24.292 1.00 16.19 C ATOM 773 OE1 GLU A 85 -25.874 20.133 25.523 1.00 18.74 O ATOM 774 OE2 GLU A 85 -26.570 20.910 23.606 1.00 14.92 O ATOM 775 H GLU A 85 -24.715 18.831 26.122 1.00 0.00 H ATOM 776 N ASP A 86 -21.496 19.930 27.009 1.00 16.52 N ATOM 777 CA ASP A 86 -20.260 20.408 27.636 1.00 13.18 C ATOM 778 C ASP A 86 -19.512 19.281 28.350 1.00 15.28 C ATOM 779 O ASP A 86 -18.314 19.402 28.612 1.00 17.86 O ATOM 780 CB ASP A 86 -20.539 21.550 28.615 1.00 15.39 C ATOM 781 CG ASP A 86 -21.048 22.812 27.927 1.00 25.18 C ATOM 782 OD1 ASP A 86 -20.870 22.941 26.697 1.00 25.40 O ATOM 783 OD2 ASP A 86 -21.642 23.672 28.628 1.00 24.44 O ATOM 784 H ASP A 86 -22.420 20.185 27.412 1.00 0.00 H ATOM 785 N LYS A 87 -20.222 18.203 28.668 1.00 14.61 N ATOM 786 CA LYS A 87 -19.633 17.030 29.300 1.00 14.35 C ATOM 787 C LYS A 87 -18.834 16.161 28.340 1.00 19.42 C ATOM 788 O LYS A 87 -17.859 15.528 28.755 1.00 17.00 O ATOM 789 CB LYS A 87 -20.717 16.163 29.943 1.00 16.24 C ATOM 790 CG LYS A 87 -21.257 16.698 31.257 1.00 28.27 C ATOM 791 CD LYS A 87 -22.264 15.727 31.874 1.00 32.39 C ATOM 792 CE LYS A 87 -22.723 16.188 33.249 1.00 47.97 C ATOM 793 NZ LYS A 87 -23.407 17.512 33.216 1.00 53.62 N ATOM 794 HZ1 LYS A 87 -22.753 18.229 32.842 1.00 0.00 H ATOM 795 HZ2 LYS A 87 -24.246 17.452 32.604 1.00 0.00 H ATOM 796 HZ3 LYS A 87 -23.697 17.775 34.179 1.00 0.00 H ATOM 797 H LYS A 87 -21.240 18.197 28.457 1.00 0.00 H ATOM 798 N VAL A 88 -19.252 16.099 27.075 1.00 14.52 N ATOM 799 CA VAL A 88 -18.671 15.105 26.168 1.00 13.79 C ATOM 800 C VAL A 88 -17.830 15.697 25.050 1.00 9.62 C ATOM 801 O VAL A 88 -17.120 14.968 24.353 1.00 13.03 O ATOM 802 CB VAL A 88 -19.766 14.209 25.518 1.00 13.82 C ATOM 803 CG1 VAL A 88 -20.511 13.421 26.585 1.00 14.95 C ATOM 804 CG2 VAL A 88 -20.729 15.038 24.663 1.00 12.71 C ATOM 805 H VAL A 88 -19.986 16.752 26.734 1.00 0.00 H ATOM 806 N THR A 89 -17.892 17.007 24.850 1.00 10.95 N ATOM 807 CA THR A 89 -17.158 17.569 23.718 1.00 12.13 C ATOM 808 C THR A 89 -15.660 17.273 23.767 1.00 10.97 C ATOM 809 O THR A 89 -15.089 16.835 22.751 1.00 9.55 O ATOM 810 CB THR A 89 -17.337 19.090 23.604 1.00 15.22 C ATOM 811 OG1 THR A 89 -18.672 19.370 23.205 1.00 17.01 O ATOM 812 CG2 THR A 89 -16.434 19.621 22.529 1.00 19.33 C ATOM 813 HG1 THR A 89 -19.300 19.009 23.880 1.00 0.00 H ATOM 814 H THR A 89 -18.448 17.618 25.482 1.00 0.00 H ATOM 815 N VAL A 90 -15.018 17.526 24.911 1.00 10.38 N ATOM 816 CA VAL A 90 -13.571 17.292 24.991 1.00 13.43 C ATOM 817 C VAL A 90 -13.193 15.798 24.868 1.00 9.64 C ATOM 818 O VAL A 90 -12.328 15.445 24.054 1.00 13.01 O ATOM 819 CB VAL A 90 -12.960 17.895 26.285 1.00 14.35 C ATOM 820 CG1 VAL A 90 -11.537 17.413 26.490 1.00 11.34 C ATOM 821 CG2 VAL A 90 -12.980 19.419 26.207 1.00 20.47 C ATOM 822 H VAL A 90 -15.538 17.885 25.737 1.00 0.00 H ATOM 823 N PRO A 91 -13.853 14.912 25.626 1.00 10.38 N ATOM 824 CA PRO A 91 -13.431 13.507 25.459 1.00 13.69 C ATOM 825 C PRO A 91 -13.756 12.915 24.077 1.00 11.33 C ATOM 826 O PRO A 91 -13.044 12.009 23.641 1.00 12.76 O ATOM 827 CB PRO A 91 -14.198 12.768 26.563 1.00 13.30 C ATOM 828 CG PRO A 91 -15.351 13.674 26.915 1.00 15.24 C ATOM 829 CD PRO A 91 -14.815 15.072 26.734 1.00 12.53 C ATOM 830 N LEU A 92 -14.791 13.413 23.405 1.00 9.73 N ATOM 831 CA LEU A 92 -15.040 12.982 22.030 1.00 9.61 C ATOM 832 C LEU A 92 -13.950 13.519 21.089 1.00 12.28 C ATOM 833 O LEU A 92 -13.413 12.783 20.250 1.00 12.87 O ATOM 834 CB LEU A 92 -16.413 13.440 21.563 1.00 9.47 C ATOM 835 CG LEU A 92 -17.585 12.684 22.200 1.00 13.07 C ATOM 836 CD1 LEU A 92 -18.914 13.242 21.727 1.00 9.31 C ATOM 837 CD2 LEU A 92 -17.508 11.215 21.851 1.00 13.82 C ATOM 838 H LEU A 92 -15.421 14.107 23.856 1.00 0.00 H ATOM 839 N PHE A 93 -13.622 14.797 21.216 1.00 9.34 N ATOM 840 CA PHE A 93 -12.547 15.352 20.385 1.00 15.04 C ATOM 841 C PHE A 93 -11.224 14.609 20.606 1.00 17.64 C ATOM 842 O PHE A 93 -10.530 14.242 19.648 1.00 12.38 O ATOM 843 CB PHE A 93 -12.340 16.838 20.674 1.00 11.15 C ATOM 844 CG PHE A 93 -13.020 17.752 19.712 1.00 11.66 C ATOM 845 CD1 PHE A 93 -12.691 17.727 18.364 1.00 13.69 C ATOM 846 CD2 PHE A 93 -13.982 18.647 20.150 1.00 12.85 C ATOM 847 CE1 PHE A 93 -13.317 18.578 17.466 1.00 15.16 C ATOM 848 CE2 PHE A 93 -14.612 19.509 19.259 1.00 12.00 C ATOM 849 CZ PHE A 93 -14.269 19.473 17.909 1.00 9.39 C ATOM 850 H PHE A 93 -14.122 15.401 21.899 1.00 0.00 H ATOM 851 N GLU A 94 -10.856 14.403 21.864 1.00 9.92 N ATOM 852 CA GLU A 94 -9.577 13.774 22.147 1.00 10.66 C ATOM 853 C GLU A 94 -9.612 12.286 21.820 1.00 11.30 C ATOM 854 O GLU A 94 -8.622 11.741 21.342 1.00 14.14 O ATOM 855 CB GLU A 94 -9.172 14.025 23.607 1.00 14.80 C ATOM 856 CG GLU A 94 -9.024 15.526 23.879 1.00 12.86 C ATOM 857 CD GLU A 94 -8.419 15.854 25.228 1.00 20.25 C ATOM 858 OE1 GLU A 94 -8.158 14.932 26.048 1.00 16.54 O ATOM 859 OE2 GLU A 94 -8.209 17.059 25.470 1.00 14.86 O ATOM 860 H GLU A 94 -11.480 14.691 22.644 1.00 0.00 H ATOM 861 N GLY A 95 -10.763 11.651 22.020 1.00 11.25 N ATOM 862 CA GLY A 95 -10.905 10.235 21.700 1.00 11.99 C ATOM 863 C GLY A 95 -10.726 9.994 20.204 1.00 12.10 C ATOM 864 O GLY A 95 -10.171 8.984 19.797 1.00 14.78 O ATOM 865 H GLY A 95 -11.574 12.172 22.410 1.00 0.00 H ATOM 866 N VAL A 96 -11.189 10.936 19.380 1.00 11.36 N ATOM 867 CA VAL A 96 -11.021 10.803 17.934 1.00 11.60 C ATOM 868 C VAL A 96 -9.615 11.217 17.469 1.00 12.93 C ATOM 869 O VAL A 96 -8.926 10.444 16.799 1.00 17.37 O ATOM 870 CB VAL A 96 -12.063 11.635 17.174 1.00 10.91 C ATOM 871 CG1 VAL A 96 -11.777 11.631 15.666 1.00 17.01 C ATOM 872 CG2 VAL A 96 -13.475 11.106 17.444 1.00 10.84 C ATOM 873 H VAL A 96 -11.673 11.770 19.769 1.00 0.00 H ATOM 874 N GLN A 97 -9.207 12.438 17.818 1.00 14.95 N ATOM 875 CA GLN A 97 -8.022 13.039 17.207 1.00 13.50 C ATOM 876 C GLN A 97 -6.734 12.868 18.004 1.00 14.11 C ATOM 877 O GLN A 97 -5.661 12.814 17.411 1.00 17.85 O ATOM 878 CB GLN A 97 -8.253 14.528 16.945 1.00 15.53 C ATOM 879 CG GLN A 97 -9.436 14.793 16.028 1.00 12.21 C ATOM 880 CD GLN A 97 -9.481 16.219 15.526 1.00 14.72 C ATOM 881 OE1 GLN A 97 -8.436 16.852 15.310 1.00 15.53 O ATOM 882 NE2 GLN A 97 -10.686 16.744 15.359 1.00 16.86 N ATOM 883 HE22 GLN A 97 -11.533 16.173 15.553 1.00 0.00 H ATOM 884 HE21 GLN A 97 -10.784 17.727 15.034 1.00 0.00 H ATOM 885 H GLN A 97 -9.739 12.971 18.535 1.00 0.00 H ATOM 886 N LYS A 98 -6.829 12.784 19.330 1.00 12.09 N ATOM 887 CA LYS A 98 -5.621 12.752 20.169 1.00 14.90 C ATOM 888 C LYS A 98 -5.153 11.333 20.480 1.00 14.12 C ATOM 889 O LYS A 98 -4.028 10.937 20.128 1.00 15.13 O ATOM 890 CB LYS A 98 -5.871 13.511 21.481 1.00 12.37 C ATOM 891 CG LYS A 98 -4.630 13.666 22.353 1.00 13.15 C ATOM 892 CD LYS A 98 -4.977 14.427 23.639 1.00 18.77 C ATOM 893 CE LYS A 98 -3.747 14.563 24.513 1.00 20.86 C ATOM 894 NZ LYS A 98 -4.083 15.231 25.802 1.00 24.66 N ATOM 895 HZ1 LYS A 98 -4.465 16.179 25.610 1.00 0.00 H ATOM 896 HZ2 LYS A 98 -4.794 14.666 26.309 1.00 0.00 H ATOM 897 HZ3 LYS A 98 -3.224 15.312 26.383 1.00 0.00 H ATOM 898 H LYS A 98 -7.767 12.741 19.777 1.00 0.00 H ATOM 899 N THR A 99 -6.015 10.556 21.136 1.00 13.93 N ATOM 900 CA THR A 99 -5.659 9.193 21.524 1.00 15.12 C ATOM 901 C THR A 99 -6.095 8.167 20.478 1.00 15.56 C ATOM 902 O THR A 99 -5.601 7.042 20.484 1.00 17.25 O ATOM 903 CB THR A 99 -6.283 8.788 22.888 1.00 15.26 C ATOM 904 OG1 THR A 99 -7.707 8.898 22.820 1.00 14.40 O ATOM 905 CG2 THR A 99 -5.758 9.675 24.005 1.00 28.03 C ATOM 906 HG1 THR A 99 -8.099 8.639 23.691 1.00 0.00 H ATOM 907 H THR A 99 -6.957 10.926 21.376 1.00 0.00 H ATOM 908 N GLN A 100 -7.018 8.562 19.600 1.00 17.36 N ATOM 909 CA GLN A 100 -7.567 7.678 18.565 1.00 16.67 C ATOM 910 C GLN A 100 -8.110 6.382 19.171 1.00 18.56 C ATOM 911 O GLN A 100 -7.917 5.302 18.625 1.00 22.85 O ATOM 912 CB GLN A 100 -6.508 7.369 17.499 1.00 20.15 C ATOM 913 CG GLN A 100 -6.019 8.629 16.796 1.00 20.63 C ATOM 914 CD GLN A 100 -5.034 8.348 15.685 1.00 24.00 C ATOM 915 OE1 GLN A 100 -4.536 7.232 15.534 1.00 27.57 O ATOM 916 NE2 GLN A 100 -4.751 9.372 14.894 1.00 22.50 N ATOM 917 HE22 GLN A 100 -5.197 10.297 15.061 1.00 0.00 H ATOM 918 HE21 GLN A 100 -4.083 9.251 14.106 1.00 0.00 H ATOM 919 H GLN A 100 -7.365 9.541 19.651 1.00 0.00 H ATOM 920 N THR A 101 -8.783 6.507 20.310 1.00 15.52 N ATOM 921 CA THR A 101 -9.379 5.368 20.976 1.00 19.56 C ATOM 922 C THR A 101 -10.845 5.200 20.610 1.00 22.44 C ATOM 923 O THR A 101 -11.471 4.196 20.961 1.00 22.61 O ATOM 924 CB THR A 101 -9.248 5.493 22.503 1.00 17.45 C ATOM 925 OG1 THR A 101 -9.593 6.822 22.897 1.00 17.43 O ATOM 926 CG2 THR A 101 -7.827 5.201 22.931 1.00 20.19 C ATOM 927 HG1 THR A 101 -8.982 7.465 22.457 1.00 0.00 H ATOM 928 H THR A 101 -8.885 7.451 20.735 1.00 0.00 H ATOM 929 N ILE A 102 -11.396 6.186 19.914 1.00 19.22 N ATOM 930 CA ILE A 102 -12.773 6.083 19.437 1.00 18.65 C ATOM 931 C ILE A 102 -12.765 5.540 18.008 1.00 20.31 C ATOM 932 O ILE A 102 -12.389 6.246 17.060 1.00 19.52 O ATOM 933 CB ILE A 102 -13.501 7.445 19.508 1.00 17.32 C ATOM 934 CG1 ILE A 102 -13.588 7.909 20.968 1.00 16.85 C ATOM 935 CG2 ILE A 102 -14.903 7.332 18.921 1.00 16.05 C ATOM 936 CD1 ILE A 102 -14.339 9.235 21.168 1.00 11.90 C ATOM 937 H ILE A 102 -10.842 7.041 19.706 1.00 0.00 H ATOM 938 N ARG A 103 -13.171 4.277 17.875 1.00 23.97 N ATOM 939 CA ARG A 103 -13.141 3.560 16.603 1.00 29.07 C ATOM 940 C ARG A 103 -14.508 2.995 16.200 1.00 27.13 C ATOM 941 O ARG A 103 -14.704 2.587 15.055 1.00 30.04 O ATOM 942 CB ARG A 103 -12.109 2.424 16.667 1.00 30.07 C ATOM 943 CG ARG A 103 -10.765 2.848 17.249 1.00 31.30 C ATOM 944 CD ARG A 103 -9.768 1.709 17.246 1.00 46.25 C ATOM 945 NE ARG A 103 -8.624 1.991 18.110 1.00 58.47 N ATOM 946 CZ ARG A 103 -8.356 1.320 19.228 1.00 65.11 C ATOM 947 NH1 ARG A 103 -9.150 0.325 19.609 1.00 70.44 N ATOM 948 NH2 ARG A 103 -7.297 1.637 19.962 1.00 62.09 N ATOM 949 HE ARG A 103 -7.981 2.761 17.835 1.00 0.00 H ATOM 950 HH12 ARG A 103 -8.943 -0.201 20.482 1.00 0.00 H ATOM 951 HH11 ARG A 103 -9.979 0.072 19.034 1.00 0.00 H ATOM 952 HH22 ARG A 103 -7.092 1.109 20.835 1.00 0.00 H ATOM 953 HH21 ARG A 103 -6.672 2.413 19.665 1.00 0.00 H ATOM 954 H ARG A 103 -13.526 3.779 18.716 1.00 0.00 H ATOM 955 N SER A 104 -15.445 2.951 17.141 1.00 18.26 N ATOM 956 CA SER A 104 -16.798 2.451 16.856 1.00 22.26 C ATOM 957 C SER A 104 -17.829 3.084 17.778 1.00 20.37 C ATOM 958 O SER A 104 -17.473 3.743 18.748 1.00 25.10 O ATOM 959 CB SER A 104 -16.864 0.930 17.002 1.00 26.44 C ATOM 960 OG SER A 104 -16.865 0.550 18.371 1.00 30.30 O ATOM 961 HG SER A 104 -16.036 0.876 18.803 1.00 0.00 H ATOM 962 H SER A 104 -15.216 3.278 18.101 1.00 0.00 H ATOM 963 N ALA A 105 -19.108 2.845 17.493 1.00 22.60 N ATOM 964 CA ALA A 105 -20.174 3.390 18.320 1.00 18.23 C ATOM 965 C ALA A 105 -20.028 2.978 19.789 1.00 22.25 C ATOM 966 O ALA A 105 -20.407 3.739 20.673 1.00 17.59 O ATOM 967 CB ALA A 105 -21.537 2.966 17.780 1.00 24.01 C ATOM 968 H ALA A 105 -19.348 2.260 16.667 1.00 0.00 H ATOM 969 N SER A 106 -19.473 1.793 20.060 1.00 22.77 N ATOM 970 CA SER A 106 -19.308 1.337 21.439 1.00 21.41 C ATOM 971 C SER A 106 -18.332 2.221 22.212 1.00 22.93 C ATOM 972 O SER A 106 -18.509 2.458 23.406 1.00 19.59 O ATOM 973 CB SER A 106 -18.839 -0.117 21.480 1.00 24.16 C ATOM 974 OG SER A 106 -18.684 -0.549 22.821 1.00 24.93 O ATOM 975 HG SER A 106 -18.012 0.020 23.274 1.00 0.00 H ATOM 976 H SER A 106 -19.154 1.186 19.278 1.00 0.00 H ATOM 977 N ASP A 107 -17.306 2.721 21.529 1.00 18.15 N ATOM 978 CA ASP A 107 -16.334 3.607 22.152 1.00 15.85 C ATOM 979 C ASP A 107 -16.968 4.957 22.482 1.00 15.45 C ATOM 980 O ASP A 107 -16.609 5.603 23.478 1.00 16.67 O ATOM 981 CB ASP A 107 -15.133 3.797 21.230 1.00 15.84 C ATOM 982 CG ASP A 107 -14.399 2.499 20.966 1.00 21.30 C ATOM 983 OD1 ASP A 107 -14.324 1.662 21.894 1.00 21.87 O ATOM 984 OD2 ASP A 107 -13.910 2.315 19.834 1.00 20.98 O ATOM 985 H ASP A 107 -17.196 2.473 20.525 1.00 0.00 H ATOM 986 N ILE A 108 -17.899 5.379 21.637 1.00 14.08 N ATOM 987 CA ILE A 108 -18.611 6.639 21.860 1.00 13.06 C ATOM 988 C ILE A 108 -19.453 6.477 23.117 1.00 15.30 C ATOM 989 O ILE A 108 -19.474 7.340 23.992 1.00 17.45 O ATOM 990 CB ILE A 108 -19.512 7.014 20.690 1.00 15.25 C ATOM 991 CG1 ILE A 108 -18.697 7.200 19.409 1.00 14.03 C ATOM 992 CG2 ILE A 108 -20.330 8.258 21.018 1.00 13.53 C ATOM 993 CD1 ILE A 108 -19.571 7.440 18.178 1.00 18.21 C ATOM 994 H ILE A 108 -18.128 4.805 20.801 1.00 0.00 H ATOM 995 N ARG A 109 -20.120 5.331 23.216 1.00 17.22 N ATOM 996 CA ARG A 109 -20.908 5.027 24.400 1.00 16.11 C ATOM 997 C ARG A 109 -20.058 5.076 25.667 1.00 17.36 C ATOM 998 O ARG A 109 -20.468 5.675 26.655 1.00 19.06 O ATOM 999 CB ARG A 109 -21.570 3.658 24.269 1.00 15.89 C ATOM 1000 CG ARG A 109 -22.541 3.312 25.402 1.00 21.25 C ATOM 1001 CD ARG A 109 -23.258 2.005 25.093 1.00 26.90 C ATOM 1002 NE ARG A 109 -24.240 1.643 26.112 1.00 29.44 N ATOM 1003 CZ ARG A 109 -23.951 0.942 27.202 1.00 31.05 C ATOM 1004 NH1 ARG A 109 -22.706 0.538 27.417 1.00 29.45 N ATOM 1005 NH2 ARG A 109 -24.901 0.652 28.079 1.00 28.00 N ATOM 1006 HE ARG A 109 -25.223 1.953 25.976 1.00 0.00 H ATOM 1007 HH12 ARG A 109 -22.478 -0.011 28.270 1.00 0.00 H ATOM 1008 HH11 ARG A 109 -21.958 0.770 26.732 1.00 0.00 H ATOM 1009 HH22 ARG A 109 -24.671 0.103 28.932 1.00 0.00 H ATOM 1010 HH21 ARG A 109 -25.876 0.974 27.915 1.00 0.00 H ATOM 1011 H ARG A 109 -20.078 4.643 22.437 1.00 0.00 H ATOM 1012 N ASP A 110 -18.877 4.457 25.634 1.00 16.54 N ATOM 1013 CA ASP A 110 -17.968 4.475 26.785 1.00 18.51 C ATOM 1014 C ASP A 110 -17.671 5.898 27.233 1.00 21.28 C ATOM 1015 O ASP A 110 -17.579 6.168 28.432 1.00 19.46 O ATOM 1016 CB ASP A 110 -16.647 3.763 26.465 1.00 16.59 C ATOM 1017 CG ASP A 110 -16.812 2.267 26.315 1.00 27.47 C ATOM 1018 OD1 ASP A 110 -17.773 1.706 26.882 1.00 27.39 O ATOM 1019 OD2 ASP A 110 -15.989 1.654 25.611 1.00 30.56 O ATOM 1020 H ASP A 110 -18.594 3.949 24.772 1.00 0.00 H ATOM 1021 N VAL A 111 -17.514 6.809 26.273 1.00 17.92 N ATOM 1022 CA VAL A 111 -17.212 8.203 26.591 1.00 13.16 C ATOM 1023 C VAL A 111 -18.348 8.861 27.372 1.00 13.86 C ATOM 1024 O VAL A 111 -18.111 9.537 28.390 1.00 15.42 O ATOM 1025 CB VAL A 111 -16.905 9.016 25.311 1.00 14.63 C ATOM 1026 CG1 VAL A 111 -17.069 10.490 25.551 1.00 13.60 C ATOM 1027 CG2 VAL A 111 -15.473 8.715 24.825 1.00 15.82 C ATOM 1028 H VAL A 111 -17.608 6.522 25.278 1.00 0.00 H ATOM 1029 N PHE A 112 -19.580 8.625 26.934 1.00 14.45 N ATOM 1030 CA PHE A 112 -20.738 9.192 27.621 1.00 13.94 C ATOM 1031 C PHE A 112 -20.851 8.609 29.027 1.00 14.63 C ATOM 1032 O PHE A 112 -21.106 9.347 29.981 1.00 19.34 O ATOM 1033 CB PHE A 112 -22.032 8.946 26.823 1.00 12.93 C ATOM 1034 CG PHE A 112 -22.263 9.941 25.717 1.00 12.87 C ATOM 1035 CD1 PHE A 112 -21.477 9.920 24.575 1.00 12.29 C ATOM 1036 CD2 PHE A 112 -23.288 10.880 25.811 1.00 13.19 C ATOM 1037 CE1 PHE A 112 -21.695 10.820 23.548 1.00 10.92 C ATOM 1038 CE2 PHE A 112 -23.518 11.801 24.791 1.00 14.56 C ATOM 1039 CZ PHE A 112 -22.711 11.776 23.651 1.00 10.70 C ATOM 1040 H PHE A 112 -19.722 8.030 26.093 1.00 0.00 H ATOM 1041 N ILE A 113 -20.655 7.297 29.159 1.00 18.21 N ATOM 1042 CA ILE A 113 -20.692 6.633 30.467 1.00 18.48 C ATOM 1043 C ILE A 113 -19.640 7.211 31.408 1.00 21.70 C ATOM 1044 O ILE A 113 -19.902 7.466 32.586 1.00 22.83 O ATOM 1045 CB ILE A 113 -20.443 5.109 30.366 1.00 22.39 C ATOM 1046 CG1 ILE A 113 -21.365 4.460 29.337 1.00 27.19 C ATOM 1047 CG2 ILE A 113 -20.607 4.446 31.726 1.00 23.98 C ATOM 1048 CD1 ILE A 113 -22.782 4.897 29.442 1.00 30.09 C ATOM 1049 H ILE A 113 -20.470 6.727 28.309 1.00 0.00 H ATOM 1050 N ASN A 114 -18.433 7.412 30.888 1.00 20.78 N ATOM 1051 CA ASN A 114 -17.349 7.938 31.715 1.00 22.61 C ATOM 1052 C ASN A 114 -17.555 9.395 32.083 1.00 26.72 C ATOM 1053 O ASN A 114 -17.008 9.876 33.071 1.00 34.63 O ATOM 1054 CB ASN A 114 -16.008 7.766 31.007 1.00 30.06 C ATOM 1055 CG ASN A 114 -15.520 6.348 31.052 1.00 40.38 C ATOM 1056 OD1 ASN A 114 -15.751 5.634 32.032 1.00 44.04 O ATOM 1057 ND2 ASN A 114 -14.847 5.918 29.991 1.00 45.56 N ATOM 1058 HD22 ASN A 114 -14.677 6.558 29.189 1.00 0.00 H ATOM 1059 HD21 ASN A 114 -14.490 4.942 29.962 1.00 0.00 H ATOM 1060 H ASN A 114 -18.259 7.193 29.886 1.00 0.00 H ATOM 1061 N ALA A 115 -18.345 10.096 31.282 1.00 19.35 N ATOM 1062 CA ALA A 115 -18.679 11.484 31.557 1.00 25.76 C ATOM 1063 C ALA A 115 -19.867 11.567 32.527 1.00 27.79 C ATOM 1064 O ALA A 115 -20.392 12.650 32.795 1.00 38.08 O ATOM 1065 CB ALA A 115 -18.984 12.225 30.248 1.00 24.65 C ATOM 1066 H ALA A 115 -18.737 9.640 30.433 1.00 0.00 H ATOM 1067 N GLY A 116 -20.287 10.417 33.048 1.00 27.18 N ATOM 1068 CA GLY A 116 -21.342 10.380 34.044 1.00 25.28 C ATOM 1069 C GLY A 116 -22.750 10.115 33.539 1.00 30.68 C ATOM 1070 O GLY A 116 -23.690 10.032 34.338 1.00 36.45 O ATOM 1071 H GLY A 116 -19.850 9.526 32.735 1.00 0.00 H ATOM 1072 N ILE A 117 -22.923 9.988 32.227 1.00 27.95 N ATOM 1073 CA ILE A 117 -24.250 9.681 31.698 1.00 24.29 C ATOM 1074 C ILE A 117 -24.548 8.216 31.953 1.00 26.05 C ATOM 1075 O ILE A 117 -23.754 7.349 31.612 1.00 28.77 O ATOM 1076 CB ILE A 117 -24.377 9.991 30.184 1.00 23.86 C ATOM 1077 CG1 ILE A 117 -24.391 11.503 29.935 1.00 25.09 C ATOM 1078 CG2 ILE A 117 -25.650 9.375 29.610 1.00 23.27 C ATOM 1079 CD1 ILE A 117 -23.030 12.150 29.877 1.00 23.82 C ATOM 1080 H ILE A 117 -22.117 10.107 31.580 1.00 0.00 H ATOM 1081 N LYS A 118 -25.688 7.942 32.575 1.00 27.52 N ATOM 1082 CA LYS A 118 -26.085 6.568 32.861 1.00 32.84 C ATOM 1083 C LYS A 118 -26.291 5.790 31.568 1.00 34.12 C ATOM 1084 O LYS A 118 -26.915 6.286 30.634 1.00 38.36 O ATOM 1085 CB LYS A 118 -27.360 6.542 33.710 1.00 40.58 C ATOM 1086 CG LYS A 118 -27.318 7.471 34.913 1.00 43.36 C ATOM 1087 CD LYS A 118 -28.538 7.286 35.810 1.00 46.83 C ATOM 1088 CE LYS A 118 -28.587 8.345 36.906 1.00 51.00 C ATOM 1089 NZ LYS A 118 -27.343 8.369 37.736 1.00 56.42 N ATOM 1090 HZ1 LYS A 118 -27.213 7.443 38.191 1.00 0.00 H ATOM 1091 HZ2 LYS A 118 -26.525 8.575 37.127 1.00 0.00 H ATOM 1092 HZ3 LYS A 118 -27.428 9.106 38.465 1.00 0.00 H ATOM 1093 H LYS A 118 -26.311 8.723 32.864 1.00 0.00 H ATOM 1094 N GLY A 119 -25.751 4.577 31.514 1.00 28.85 N ATOM 1095 CA GLY A 119 -25.837 3.749 30.325 1.00 29.55 C ATOM 1096 C GLY A 119 -27.240 3.576 29.773 1.00 32.52 C ATOM 1097 O GLY A 119 -27.464 3.696 28.568 1.00 32.64 O ATOM 1098 H GLY A 119 -25.252 4.210 32.349 1.00 0.00 H ATOM 1099 N GLU A 120 -28.190 3.302 30.659 1.00 32.55 N ATOM 1100 CA GLU A 120 -29.571 3.073 30.244 1.00 31.82 C ATOM 1101 C GLU A 120 -30.167 4.343 29.649 1.00 31.48 C ATOM 1102 O GLU A 120 -30.965 4.275 28.714 1.00 28.53 O ATOM 1103 CB GLU A 120 -30.426 2.578 31.414 1.00 36.89 C ATOM 1104 CG GLU A 120 -29.758 1.529 32.300 1.00 46.27 C ATOM 1105 CD GLU A 120 -28.638 2.097 33.161 1.00 55.87 C ATOM 1106 OE1 GLU A 120 -28.735 3.274 33.576 1.00 54.52 O ATOM 1107 OE2 GLU A 120 -27.649 1.372 33.396 1.00 63.69 O ATOM 1108 H GLU A 120 -27.946 3.249 31.669 1.00 0.00 H ATOM 1109 N GLU A 121 -29.770 5.495 30.187 1.00 27.29 N ATOM 1110 CA GLU A 121 -30.254 6.773 29.684 1.00 26.60 C ATOM 1111 C GLU A 121 -29.669 7.057 28.313 1.00 25.74 C ATOM 1112 O GLU A 121 -30.350 7.578 27.422 1.00 23.51 O ATOM 1113 CB GLU A 121 -29.916 7.906 30.650 1.00 32.52 C ATOM 1114 CG GLU A 121 -30.503 7.713 32.039 1.00 47.26 C ATOM 1115 CD GLU A 121 -30.324 8.938 32.917 1.00 55.60 C ATOM 1116 OE1 GLU A 121 -29.235 9.557 32.868 1.00 60.78 O ATOM 1117 OE2 GLU A 121 -31.285 9.288 33.637 1.00 56.47 O ATOM 1118 H GLU A 121 -29.101 5.481 30.983 1.00 0.00 H ATOM 1119 N TYR A 122 -28.397 6.724 28.142 1.00 24.52 N ATOM 1120 CA TYR A 122 -27.766 6.901 26.841 1.00 19.30 C ATOM 1121 C TYR A 122 -28.435 6.025 25.783 1.00 25.41 C ATOM 1122 O TYR A 122 -28.728 6.483 24.683 1.00 21.03 O ATOM 1123 CB TYR A 122 -26.276 6.579 26.917 1.00 18.32 C ATOM 1124 CG TYR A 122 -25.565 6.721 25.593 1.00 16.75 C ATOM 1125 CD1 TYR A 122 -25.065 7.947 25.187 1.00 16.07 C ATOM 1126 CD2 TYR A 122 -25.410 5.632 24.741 1.00 17.65 C ATOM 1127 CE1 TYR A 122 -24.410 8.084 23.965 1.00 16.91 C ATOM 1128 CE2 TYR A 122 -24.762 5.757 23.523 1.00 21.31 C ATOM 1129 CZ TYR A 122 -24.261 6.985 23.146 1.00 17.68 C ATOM 1130 OH TYR A 122 -23.616 7.114 21.941 1.00 17.28 O ATOM 1131 HH TYR A 122 -22.829 6.514 21.924 1.00 0.00 H ATOM 1132 H TYR A 122 -27.850 6.336 28.937 1.00 0.00 H ATOM 1133 N ASP A 123 -28.665 4.758 26.115 1.00 24.28 N ATOM 1134 CA ASP A 123 -29.213 3.813 25.147 1.00 20.04 C ATOM 1135 C ASP A 123 -30.614 4.210 24.714 1.00 22.99 C ATOM 1136 O ASP A 123 -30.962 4.099 23.534 1.00 22.74 O ATOM 1137 CB ASP A 123 -29.221 2.399 25.727 1.00 28.72 C ATOM 1138 CG ASP A 123 -27.825 1.863 25.966 1.00 32.41 C ATOM 1139 OD1 ASP A 123 -26.896 2.296 25.245 1.00 26.72 O ATOM 1140 OD2 ASP A 123 -27.663 1.003 26.865 1.00 29.15 O ATOM 1141 H ASP A 123 -28.451 4.435 27.080 1.00 0.00 H ATOM 1142 N ALA A 124 -31.408 4.682 25.671 1.00 19.43 N ATOM 1143 CA ALA A 124 -32.767 5.130 25.386 1.00 22.53 C ATOM 1144 C ALA A 124 -32.739 6.340 24.465 1.00 20.13 C ATOM 1145 O ALA A 124 -33.559 6.451 23.554 1.00 18.07 O ATOM 1146 CB ALA A 124 -33.508 5.463 26.669 1.00 28.77 C ATOM 1147 H ALA A 124 -31.051 4.733 26.647 1.00 0.00 H ATOM 1148 N ALA A 125 -31.799 7.250 24.709 1.00 19.39 N ATOM 1149 CA ALA A 125 -31.694 8.440 23.895 1.00 18.09 C ATOM 1150 C ALA A 125 -31.175 8.062 22.519 1.00 17.50 C ATOM 1151 O ALA A 125 -31.690 8.543 21.514 1.00 15.53 O ATOM 1152 CB ALA A 125 -30.778 9.489 24.562 1.00 21.43 C ATOM 1153 H ALA A 125 -31.133 7.103 25.494 1.00 0.00 H ATOM 1154 N TRP A 126 -30.171 7.178 22.479 1.00 15.54 N ATOM 1155 CA TRP A 126 -29.571 6.770 21.212 1.00 16.10 C ATOM 1156 C TRP A 126 -30.644 6.247 20.252 1.00 21.50 C ATOM 1157 O TRP A 126 -30.618 6.528 19.052 1.00 16.85 O ATOM 1158 CB TRP A 126 -28.477 5.709 21.441 1.00 17.68 C ATOM 1159 CG TRP A 126 -27.863 5.174 20.163 1.00 15.88 C ATOM 1160 CD1 TRP A 126 -28.263 4.071 19.462 1.00 19.82 C ATOM 1161 CD2 TRP A 126 -26.749 5.722 19.443 1.00 15.57 C ATOM 1162 NE1 TRP A 126 -27.475 3.903 18.348 1.00 22.55 N ATOM 1163 CE2 TRP A 126 -26.533 4.903 18.317 1.00 23.95 C ATOM 1164 CE3 TRP A 126 -25.915 6.825 19.642 1.00 14.01 C ATOM 1165 CZ2 TRP A 126 -25.517 5.151 17.391 1.00 20.47 C ATOM 1166 CZ3 TRP A 126 -24.900 7.069 18.726 1.00 14.49 C ATOM 1167 CH2 TRP A 126 -24.718 6.234 17.609 1.00 16.21 C ATOM 1168 HE1 TRP A 126 -27.575 3.144 17.644 1.00 0.00 H ATOM 1169 H TRP A 126 -29.811 6.774 23.367 1.00 0.00 H ATOM 1170 N ASN A 127 -31.605 5.509 20.799 1.00 22.21 N ATOM 1171 CA ASN A 127 -32.612 4.855 19.987 1.00 20.75 C ATOM 1172 C ASN A 127 -33.895 5.658 19.840 1.00 22.71 C ATOM 1173 O ASN A 127 -34.840 5.193 19.204 1.00 23.63 O ATOM 1174 CB ASN A 127 -32.923 3.478 20.579 1.00 26.83 C ATOM 1175 CG ASN A 127 -31.756 2.522 20.459 1.00 30.61 C ATOM 1176 OD1 ASN A 127 -31.261 2.272 19.357 1.00 26.24 O ATOM 1177 ND2 ASN A 127 -31.297 1.995 21.590 1.00 31.40 N ATOM 1178 HD22 ASN A 127 -31.747 2.236 22.496 1.00 0.00 H ATOM 1179 HD21 ASN A 127 -30.488 1.342 21.569 1.00 0.00 H ATOM 1180 H ASN A 127 -31.635 5.398 21.833 1.00 0.00 H ATOM 1181 N SER A 128 -33.928 6.858 20.419 1.00 21.52 N ATOM 1182 CA SER A 128 -35.170 7.631 20.482 1.00 19.39 C ATOM 1183 C SER A 128 -35.480 8.355 19.180 1.00 22.65 C ATOM 1184 O SER A 128 -34.581 8.703 18.418 1.00 20.48 O ATOM 1185 CB SER A 128 -35.119 8.650 21.629 1.00 17.78 C ATOM 1186 OG SER A 128 -34.275 9.741 21.313 1.00 18.39 O ATOM 1187 HG SER A 128 -33.357 9.409 21.146 1.00 0.00 H ATOM 1188 H SER A 128 -33.058 7.251 20.832 1.00 0.00 H ATOM 1189 N PHE A 129 -36.763 8.604 18.943 1.00 20.98 N ATOM 1190 CA PHE A 129 -37.175 9.360 17.763 1.00 19.45 C ATOM 1191 C PHE A 129 -36.939 10.858 17.945 1.00 18.57 C ATOM 1192 O PHE A 129 -36.783 11.592 16.964 1.00 18.39 O ATOM 1193 CB PHE A 129 -38.632 9.049 17.426 1.00 20.97 C ATOM 1194 CG PHE A 129 -38.776 7.776 16.661 1.00 23.38 C ATOM 1195 CD1 PHE A 129 -38.716 6.557 17.312 1.00 25.17 C ATOM 1196 CD2 PHE A 129 -38.875 7.794 15.286 1.00 24.24 C ATOM 1197 CE1 PHE A 129 -38.814 5.376 16.605 1.00 23.48 C ATOM 1198 CE2 PHE A 129 -38.972 6.623 14.570 1.00 27.00 C ATOM 1199 CZ PHE A 129 -38.941 5.410 15.231 1.00 24.08 C ATOM 1200 H PHE A 129 -37.484 8.256 19.607 1.00 0.00 H ATOM 1201 N VAL A 130 -36.850 11.312 19.189 1.00 18.33 N ATOM 1202 CA VAL A 130 -36.397 12.688 19.417 1.00 20.16 C ATOM 1203 C VAL A 130 -34.980 12.857 18.865 1.00 19.93 C ATOM 1204 O VAL A 130 -34.666 13.850 18.208 1.00 18.25 O ATOM 1205 CB VAL A 130 -36.432 13.075 20.919 1.00 17.19 C ATOM 1206 CG1 VAL A 130 -35.539 14.304 21.183 1.00 16.20 C ATOM 1207 CG2 VAL A 130 -37.875 13.329 21.360 1.00 18.42 C ATOM 1208 H VAL A 130 -37.098 10.700 19.992 1.00 0.00 H ATOM 1209 N VAL A 131 -34.131 11.868 19.107 1.00 15.79 N ATOM 1210 CA VAL A 131 -32.752 11.931 18.626 1.00 16.99 C ATOM 1211 C VAL A 131 -32.719 11.741 17.109 1.00 18.20 C ATOM 1212 O VAL A 131 -31.990 12.449 16.425 1.00 14.59 O ATOM 1213 CB VAL A 131 -31.856 10.902 19.348 1.00 14.58 C ATOM 1214 CG1 VAL A 131 -30.636 10.518 18.506 1.00 14.11 C ATOM 1215 CG2 VAL A 131 -31.436 11.456 20.709 1.00 14.62 C ATOM 1216 H VAL A 131 -34.450 11.037 19.645 1.00 0.00 H ATOM 1217 N LYS A 132 -33.530 10.826 16.575 1.00 16.23 N ATOM 1218 CA LYS A 132 -33.667 10.704 15.119 1.00 17.96 C ATOM 1219 C LYS A 132 -34.021 12.048 14.463 1.00 16.80 C ATOM 1220 O LYS A 132 -33.495 12.401 13.418 1.00 18.74 O ATOM 1221 CB LYS A 132 -34.748 9.681 14.760 1.00 21.97 C ATOM 1222 CG LYS A 132 -34.271 8.256 14.642 1.00 30.66 C ATOM 1223 CD LYS A 132 -35.339 7.366 14.010 1.00 28.68 C ATOM 1224 CE LYS A 132 -34.934 5.920 14.091 1.00 34.47 C ATOM 1225 NZ LYS A 132 -33.589 5.709 13.502 1.00 42.11 N ATOM 1226 HZ1 LYS A 132 -33.601 5.997 12.503 1.00 0.00 H ATOM 1227 HZ2 LYS A 132 -32.891 6.280 14.020 1.00 0.00 H ATOM 1228 HZ3 LYS A 132 -33.335 4.703 13.572 1.00 0.00 H ATOM 1229 H LYS A 132 -34.071 10.192 17.197 1.00 0.00 H ATOM 1230 N SER A 133 -34.945 12.776 15.079 1.00 17.43 N ATOM 1231 CA SER A 133 -35.362 14.075 14.570 1.00 17.76 C ATOM 1232 C SER A 133 -34.201 15.070 14.576 1.00 19.50 C ATOM 1233 O SER A 133 -34.008 15.821 13.613 1.00 19.36 O ATOM 1234 CB SER A 133 -36.538 14.615 15.395 1.00 21.08 C ATOM 1235 OG SER A 133 -36.987 15.855 14.890 1.00 25.44 O ATOM 1236 HG SER A 133 -36.247 16.512 14.925 1.00 0.00 H ATOM 1237 H SER A 133 -35.382 12.409 15.948 1.00 0.00 H ATOM 1238 N LEU A 134 -33.422 15.049 15.653 1.00 18.17 N ATOM 1239 CA LEU A 134 -32.274 15.946 15.801 1.00 15.30 C ATOM 1240 C LEU A 134 -31.207 15.647 14.750 1.00 17.26 C ATOM 1241 O LEU A 134 -30.523 16.558 14.288 1.00 16.62 O ATOM 1242 CB LEU A 134 -31.688 15.842 17.214 1.00 15.43 C ATOM 1243 CG LEU A 134 -32.457 16.559 18.329 1.00 20.82 C ATOM 1244 CD1 LEU A 134 -31.948 16.141 19.704 1.00 18.82 C ATOM 1245 CD2 LEU A 134 -32.351 18.072 18.166 1.00 23.83 C ATOM 1246 H LEU A 134 -33.635 14.374 16.415 1.00 0.00 H ATOM 1247 N VAL A 135 -31.079 14.378 14.364 1.00 16.76 N ATOM 1248 CA VAL A 135 -30.132 13.999 13.318 1.00 18.75 C ATOM 1249 C VAL A 135 -30.594 14.565 11.993 1.00 20.50 C ATOM 1250 O VAL A 135 -29.804 15.126 11.239 1.00 20.11 O ATOM 1251 CB VAL A 135 -29.975 12.468 13.208 1.00 14.51 C ATOM 1252 CG1 VAL A 135 -29.235 12.088 11.940 1.00 16.25 C ATOM 1253 CG2 VAL A 135 -29.247 11.941 14.436 1.00 13.80 C ATOM 1254 H VAL A 135 -31.663 13.645 14.815 1.00 0.00 H ATOM 1255 N ALA A 136 -31.888 14.414 11.723 1.00 20.66 N ATOM 1256 CA ALA A 136 -32.503 14.980 10.534 1.00 20.88 C ATOM 1257 C ALA A 136 -32.352 16.496 10.514 1.00 20.23 C ATOM 1258 O ALA A 136 -32.091 17.078 9.462 1.00 24.99 O ATOM 1259 CB ALA A 136 -33.982 14.588 10.461 1.00 20.85 C ATOM 1260 H ALA A 136 -32.480 13.873 12.385 1.00 0.00 H ATOM 1261 N GLN A 137 -32.519 17.129 11.673 1.00 16.28 N ATOM 1262 CA GLN A 137 -32.401 18.584 11.778 1.00 20.25 C ATOM 1263 C GLN A 137 -30.994 19.058 11.422 1.00 19.62 C ATOM 1264 O GLN A 137 -30.828 20.030 10.671 1.00 20.08 O ATOM 1265 CB GLN A 137 -32.775 19.062 13.189 1.00 24.21 C ATOM 1266 CG GLN A 137 -34.278 18.986 13.492 1.00 35.88 C ATOM 1267 CD GLN A 137 -34.605 19.232 14.962 1.00 42.70 C ATOM 1268 OE1 GLN A 137 -35.164 18.360 15.641 1.00 44.58 O ATOM 1269 NE2 GLN A 137 -34.268 20.420 15.456 1.00 35.44 N ATOM 1270 HE22 GLN A 137 -33.800 21.122 14.848 1.00 0.00 H ATOM 1271 HE21 GLN A 137 -34.473 20.647 16.450 1.00 0.00 H ATOM 1272 H GLN A 137 -32.739 16.576 12.526 1.00 0.00 H ATOM 1273 N GLN A 138 -29.990 18.369 11.962 1.00 17.36 N ATOM 1274 CA GLN A 138 -28.592 18.705 11.698 1.00 17.46 C ATOM 1275 C GLN A 138 -28.267 18.571 10.211 1.00 20.76 C ATOM 1276 O GLN A 138 -27.590 19.420 9.636 1.00 19.41 O ATOM 1277 CB GLN A 138 -27.652 17.819 12.517 1.00 14.77 C ATOM 1278 CG GLN A 138 -27.746 18.035 14.005 1.00 14.09 C ATOM 1279 CD GLN A 138 -26.864 17.067 14.776 1.00 17.01 C ATOM 1280 OE1 GLN A 138 -25.701 17.352 15.049 1.00 15.44 O ATOM 1281 NE2 GLN A 138 -27.415 15.909 15.120 1.00 12.20 N ATOM 1282 HE22 GLN A 138 -28.404 15.709 14.868 1.00 0.00 H ATOM 1283 HE21 GLN A 138 -26.858 15.202 15.641 1.00 0.00 H ATOM 1284 H GLN A 138 -30.207 17.569 12.590 1.00 0.00 H ATOM 1285 N GLU A 139 -28.745 17.492 9.605 1.00 18.45 N ATOM 1286 CA GLU A 139 -28.519 17.228 8.189 1.00 20.65 C ATOM 1287 C GLU A 139 -29.222 18.258 7.313 1.00 21.05 C ATOM 1288 O GLU A 139 -28.627 18.792 6.383 1.00 20.20 O ATOM 1289 CB GLU A 139 -28.985 15.814 7.836 1.00 25.80 C ATOM 1290 CG GLU A 139 -28.168 14.726 8.514 1.00 26.66 C ATOM 1291 CD GLU A 139 -28.709 13.336 8.267 1.00 32.02 C ATOM 1292 OE1 GLU A 139 -29.827 13.218 7.721 1.00 32.87 O ATOM 1293 OE2 GLU A 139 -28.012 12.360 8.613 1.00 27.87 O ATOM 1294 H GLU A 139 -29.301 16.810 10.160 1.00 0.00 H ATOM 1295 N LYS A 140 -30.487 18.541 7.612 1.00 21.98 N ATOM 1296 CA LYS A 140 -31.232 19.541 6.854 1.00 20.55 C ATOM 1297 C LYS A 140 -30.582 20.922 6.948 1.00 24.36 C ATOM 1298 O LYS A 140 -30.497 21.643 5.956 1.00 23.29 O ATOM 1299 CB LYS A 140 -32.677 19.617 7.340 1.00 23.29 C ATOM 1300 CG LYS A 140 -33.492 20.692 6.655 1.00 30.39 C ATOM 1301 H LYS A 140 -30.952 18.042 8.397 1.00 0.00 H ATOM 1302 N ALA A 141 -30.123 21.287 8.143 1.00 21.11 N ATOM 1303 CA ALA A 141 -29.521 22.598 8.347 1.00 19.05 C ATOM 1304 C ALA A 141 -28.289 22.778 7.460 1.00 22.97 C ATOM 1305 O ALA A 141 -28.083 23.834 6.861 1.00 22.93 O ATOM 1306 CB ALA A 141 -29.152 22.785 9.798 1.00 16.52 C ATOM 1307 H ALA A 141 -30.195 20.626 8.943 1.00 0.00 H ATOM 1308 N ALA A 142 -27.476 21.732 7.378 1.00 22.78 N ATOM 1309 CA ALA A 142 -26.272 21.761 6.552 1.00 22.50 C ATOM 1310 C ALA A 142 -26.642 21.870 5.079 1.00 20.62 C ATOM 1311 O ALA A 142 -26.036 22.637 4.326 1.00 26.19 O ATOM 1312 CB ALA A 142 -25.419 20.516 6.805 1.00 20.03 C ATOM 1313 H ALA A 142 -27.702 20.871 7.915 1.00 0.00 H ATOM 1314 N ALA A 143 -27.637 21.100 4.662 1.00 20.81 N ATOM 1315 CA ALA A 143 -28.070 21.138 3.274 1.00 22.94 C ATOM 1316 C ALA A 143 -28.616 22.519 2.912 1.00 24.66 C ATOM 1317 O ALA A 143 -28.375 23.017 1.821 1.00 25.14 O ATOM 1318 CB ALA A 143 -29.125 20.059 3.003 1.00 22.41 C ATOM 1319 H ALA A 143 -28.112 20.463 5.333 1.00 0.00 H ATOM 1320 N ASP A 144 -29.348 23.131 3.838 1.00 22.48 N ATOM 1321 CA ASP A 144 -29.956 24.433 3.592 1.00 25.32 C ATOM 1322 C ASP A 144 -28.925 25.518 3.278 1.00 24.05 C ATOM 1323 O ASP A 144 -29.204 26.437 2.517 1.00 25.53 O ATOM 1324 CB ASP A 144 -30.793 24.868 4.795 1.00 28.93 C ATOM 1325 CG ASP A 144 -32.131 24.157 4.870 1.00 32.22 C ATOM 1326 OD1 ASP A 144 -32.552 23.535 3.870 1.00 29.95 O ATOM 1327 OD2 ASP A 144 -32.770 24.238 5.934 1.00 35.66 O ATOM 1328 H ASP A 144 -29.490 22.670 4.759 1.00 0.00 H ATOM 1329 N VAL A 145 -27.734 25.412 3.851 1.00 23.00 N ATOM 1330 CA VAL A 145 -26.712 26.424 3.591 1.00 27.39 C ATOM 1331 C VAL A 145 -25.635 25.923 2.645 1.00 24.51 C ATOM 1332 O VAL A 145 -24.578 26.541 2.531 1.00 27.02 O ATOM 1333 CB VAL A 145 -26.041 26.902 4.878 1.00 21.37 C ATOM 1334 CG1 VAL A 145 -27.061 27.564 5.789 1.00 29.33 C ATOM 1335 CG2 VAL A 145 -25.359 25.739 5.576 1.00 16.22 C ATOM 1336 H VAL A 145 -27.528 24.612 4.483 1.00 0.00 H ATOM 1337 N GLN A 146 -25.914 24.819 1.958 1.00 24.39 N ATOM 1338 CA GLN A 146 -24.963 24.225 1.017 1.00 30.89 C ATOM 1339 C GLN A 146 -23.594 24.029 1.667 1.00 27.74 C ATOM 1340 O GLN A 146 -22.565 24.420 1.100 1.00 26.59 O ATOM 1341 CB GLN A 146 -24.820 25.103 -0.229 1.00 40.20 C ATOM 1342 CG GLN A 146 -26.130 25.593 -0.811 1.00 45.28 C ATOM 1343 CD GLN A 146 -26.201 25.389 -2.307 1.00 59.26 C ATOM 1344 OE1 GLN A 146 -25.934 24.297 -2.808 1.00 66.45 O ATOM 1345 NE2 GLN A 146 -26.546 26.447 -3.034 1.00 61.24 N ATOM 1346 HE22 GLN A 146 -26.763 27.350 -2.567 1.00 0.00 H ATOM 1347 HE21 GLN A 146 -26.599 26.371 -4.070 1.00 0.00 H ATOM 1348 H GLN A 146 -26.839 24.363 2.094 1.00 0.00 H ATOM 1349 N LEU A 147 -23.583 23.447 2.868 1.00 19.48 N ATOM 1350 CA LEU A 147 -22.350 23.315 3.644 1.00 22.86 C ATOM 1351 C LEU A 147 -21.317 22.404 2.982 1.00 21.41 C ATOM 1352 O LEU A 147 -21.618 21.271 2.614 1.00 27.66 O ATOM 1353 CB LEU A 147 -22.657 22.788 5.044 1.00 17.80 C ATOM 1354 CG LEU A 147 -21.478 22.859 6.007 1.00 18.71 C ATOM 1355 CD1 LEU A 147 -21.071 24.302 6.258 1.00 22.08 C ATOM 1356 CD2 LEU A 147 -21.864 22.175 7.313 1.00 20.14 C ATOM 1357 H LEU A 147 -24.472 23.079 3.262 1.00 0.00 H ATOM 1358 N ARG A 148 -20.094 22.909 2.834 1.00 21.97 N ATOM 1359 CA ARG A 148 -19.048 22.181 2.110 1.00 23.31 C ATOM 1360 C ARG A 148 -17.837 21.875 2.989 1.00 23.87 C ATOM 1361 O ARG A 148 -16.946 21.126 2.593 1.00 29.06 O ATOM 1362 CB ARG A 148 -18.591 22.977 0.884 1.00 37.33 C ATOM 1363 CG ARG A 148 -19.677 23.249 -0.142 1.00 44.47 C ATOM 1364 CD ARG A 148 -20.061 21.979 -0.877 1.00 51.20 C ATOM 1365 NE ARG A 148 -21.090 22.230 -1.882 1.00 59.05 N ATOM 1366 CZ ARG A 148 -22.396 22.133 -1.651 1.00 67.21 C ATOM 1367 NH1 ARG A 148 -22.835 21.786 -0.447 1.00 70.82 N ATOM 1368 NH2 ARG A 148 -23.266 22.382 -2.621 1.00 70.58 N ATOM 1369 HE ARG A 148 -20.783 22.501 -2.838 1.00 0.00 H ATOM 1370 HH12 ARG A 148 -23.857 21.711 -0.268 1.00 0.00 H ATOM 1371 HH11 ARG A 148 -22.157 21.590 0.317 1.00 0.00 H ATOM 1372 HH22 ARG A 148 -24.287 22.305 -2.437 1.00 0.00 H ATOM 1373 HH21 ARG A 148 -22.927 22.654 -3.566 1.00 0.00 H ATOM 1374 H ARG A 148 -19.876 23.841 3.241 1.00 0.00 H ATOM 1375 N GLY A 149 -17.802 22.457 4.177 1.00 19.71 N ATOM 1376 CA GLY A 149 -16.667 22.272 5.056 1.00 18.42 C ATOM 1377 C GLY A 149 -16.921 22.794 6.451 1.00 18.60 C ATOM 1378 O GLY A 149 -17.846 23.564 6.680 1.00 20.78 O ATOM 1379 H GLY A 149 -18.598 23.053 4.482 1.00 0.00 H ATOM 1380 N VAL A 150 -16.090 22.366 7.393 1.00 19.47 N ATOM 1381 CA VAL A 150 -16.182 22.815 8.772 1.00 17.15 C ATOM 1382 C VAL A 150 -14.779 23.225 9.242 1.00 17.18 C ATOM 1383 O VAL A 150 -13.799 22.814 8.625 1.00 20.10 O ATOM 1384 CB VAL A 150 -16.766 21.713 9.689 1.00 17.13 C ATOM 1385 CG1 VAL A 150 -18.276 21.542 9.456 1.00 19.55 C ATOM 1386 CG2 VAL A 150 -16.042 20.420 9.463 1.00 14.18 C ATOM 1387 H VAL A 150 -15.347 21.685 7.135 1.00 0.00 H ATOM 1388 N PRO A 151 -14.674 24.062 10.296 1.00 15.53 N ATOM 1389 CA PRO A 151 -15.754 24.732 11.028 1.00 13.46 C ATOM 1390 C PRO A 151 -16.443 25.768 10.164 1.00 20.95 C ATOM 1391 O PRO A 151 -15.861 26.257 9.198 1.00 23.74 O ATOM 1392 CB PRO A 151 -15.033 25.386 12.213 1.00 20.24 C ATOM 1393 CG PRO A 151 -13.657 25.595 11.737 1.00 23.95 C ATOM 1394 CD PRO A 151 -13.358 24.404 10.867 1.00 18.56 C ATOM 1395 N ALA A 152 -17.696 26.046 10.482 1.00 15.42 N ATOM 1396 CA ALA A 152 -18.466 27.033 9.745 1.00 12.64 C ATOM 1397 C ALA A 152 -19.444 27.688 10.684 1.00 17.92 C ATOM 1398 O ALA A 152 -19.975 27.036 11.581 1.00 18.52 O ATOM 1399 CB ALA A 152 -19.196 26.384 8.577 1.00 13.08 C ATOM 1400 H ALA A 152 -18.141 25.546 11.278 1.00 0.00 H ATOM 1401 N MET A 153 -19.668 28.986 10.506 1.00 14.63 N ATOM 1402 CA MET A 153 -20.679 29.653 11.295 1.00 15.62 C ATOM 1403 C MET A 153 -21.543 30.520 10.418 1.00 16.54 C ATOM 1404 O MET A 153 -21.040 31.195 9.520 1.00 19.55 O ATOM 1405 CB MET A 153 -20.065 30.509 12.403 1.00 18.23 C ATOM 1406 CG MET A 153 -21.124 31.109 13.318 1.00 26.28 C ATOM 1407 SD MET A 153 -20.485 32.353 14.439 1.00 27.19 S ATOM 1408 CE MET A 153 -19.628 31.348 15.632 1.00 24.79 C ATOM 1409 H MET A 153 -19.118 29.519 9.802 1.00 0.00 H ATOM 1410 N PHE A 154 -22.845 30.491 10.685 1.00 15.64 N ATOM 1411 CA PHE A 154 -23.783 31.279 9.917 1.00 16.38 C ATOM 1412 C PHE A 154 -24.569 32.210 10.813 1.00 22.71 C ATOM 1413 O PHE A 154 -24.965 31.841 11.926 1.00 19.75 O ATOM 1414 CB PHE A 154 -24.710 30.364 9.130 1.00 19.44 C ATOM 1415 CG PHE A 154 -23.994 29.534 8.113 1.00 18.46 C ATOM 1416 CD1 PHE A 154 -23.379 28.342 8.483 1.00 23.02 C ATOM 1417 CD2 PHE A 154 -23.908 29.946 6.799 1.00 17.80 C ATOM 1418 CE1 PHE A 154 -22.703 27.574 7.551 1.00 22.20 C ATOM 1419 CE2 PHE A 154 -23.240 29.180 5.856 1.00 23.00 C ATOM 1420 CZ PHE A 154 -22.634 27.989 6.239 1.00 20.69 C ATOM 1421 H PHE A 154 -23.195 29.891 11.459 1.00 0.00 H ATOM 1422 N VAL A 155 -24.775 33.431 10.332 1.00 18.52 N ATOM 1423 CA VAL A 155 -25.493 34.419 11.125 1.00 19.27 C ATOM 1424 C VAL A 155 -26.804 34.793 10.434 1.00 20.11 C ATOM 1425 O VAL A 155 -26.819 35.228 9.282 1.00 24.10 O ATOM 1426 CB VAL A 155 -24.625 35.669 11.384 1.00 17.52 C ATOM 1427 CG1 VAL A 155 -25.422 36.710 12.180 1.00 19.94 C ATOM 1428 CG2 VAL A 155 -23.351 35.280 12.129 1.00 17.13 C ATOM 1429 H VAL A 155 -24.422 33.682 9.386 1.00 0.00 H ATOM 1430 N ASN A 156 -27.906 34.581 11.153 1.00 21.54 N ATOM 1431 CA ASN A 156 -29.251 34.870 10.660 1.00 25.63 C ATOM 1432 C ASN A 156 -29.553 34.214 9.316 1.00 25.50 C ATOM 1433 O ASN A 156 -30.304 34.752 8.507 1.00 30.56 O ATOM 1434 CB ASN A 156 -29.456 36.383 10.569 1.00 24.17 C ATOM 1435 CG ASN A 156 -29.477 37.046 11.938 1.00 31.13 C ATOM 1436 OD1 ASN A 156 -30.015 36.487 12.893 1.00 34.70 O ATOM 1437 ND2 ASN A 156 -28.886 38.232 12.039 1.00 33.48 N ATOM 1438 HD22 ASN A 156 -28.444 38.666 11.203 1.00 0.00 H ATOM 1439 HD21 ASN A 156 -28.865 38.727 12.954 1.00 0.00 H ATOM 1440 H ASN A 156 -27.804 34.191 12.112 1.00 0.00 H ATOM 1441 N GLY A 157 -28.948 33.050 9.090 1.00 27.09 N ATOM 1442 CA GLY A 157 -29.126 32.303 7.854 1.00 30.95 C ATOM 1443 C GLY A 157 -28.727 33.047 6.594 1.00 31.07 C ATOM 1444 O GLY A 157 -29.168 32.702 5.500 1.00 33.73 O ATOM 1445 H GLY A 157 -28.324 32.660 9.825 1.00 0.00 H ATOM 1446 N LYS A 158 -27.891 34.067 6.735 1.00 24.22 N ATOM 1447 CA LYS A 158 -27.581 34.917 5.598 1.00 24.58 C ATOM 1448 C LYS A 158 -26.083 35.136 5.387 1.00 29.87 C ATOM 1449 O LYS A 158 -25.617 35.195 4.247 1.00 39.75 O ATOM 1450 CB LYS A 158 -28.279 36.272 5.743 1.00 30.00 C ATOM 1451 CG LYS A 158 -28.139 37.135 4.512 1.00 38.60 C ATOM 1452 CD LYS A 158 -29.039 38.345 4.566 1.00 42.50 C ATOM 1453 CE LYS A 158 -28.959 39.132 3.262 1.00 44.57 C ATOM 1454 NZ LYS A 158 -29.867 40.302 3.281 1.00 47.07 N ATOM 1455 HZ1 LYS A 158 -30.846 39.977 3.412 1.00 0.00 H ATOM 1456 HZ2 LYS A 158 -29.602 40.932 4.065 1.00 0.00 H ATOM 1457 HZ3 LYS A 158 -29.788 40.815 2.380 1.00 0.00 H ATOM 1458 H LYS A 158 -27.457 34.259 7.660 1.00 0.00 H ATOM 1459 N TYR A 159 -25.341 35.268 6.480 1.00 20.27 N ATOM 1460 CA TYR A 159 -23.908 35.519 6.410 1.00 19.72 C ATOM 1461 C TYR A 159 -23.095 34.358 6.944 1.00 20.93 C ATOM 1462 O TYR A 159 -23.417 33.772 7.978 1.00 20.39 O ATOM 1463 CB TYR A 159 -23.549 36.794 7.177 1.00 20.07 C ATOM 1464 CG TYR A 159 -24.337 37.986 6.703 1.00 21.87 C ATOM 1465 CD1 TYR A 159 -24.042 38.598 5.496 1.00 23.13 C ATOM 1466 CD2 TYR A 159 -25.392 38.487 7.453 1.00 26.43 C ATOM 1467 CE1 TYR A 159 -24.765 39.677 5.051 1.00 33.28 C ATOM 1468 CE2 TYR A 159 -26.128 39.568 7.008 1.00 29.03 C ATOM 1469 CZ TYR A 159 -25.806 40.159 5.809 1.00 30.20 C ATOM 1470 OH TYR A 159 -26.519 41.236 5.359 1.00 31.20 O ATOM 1471 HH TYR A 159 -26.154 41.531 4.487 1.00 0.00 H ATOM 1472 H TYR A 159 -25.796 35.190 7.412 1.00 0.00 H ATOM 1473 N GLN A 160 -22.015 34.059 6.243 1.00 18.89 N ATOM 1474 CA GLN A 160 -21.115 32.980 6.611 1.00 20.88 C ATOM 1475 C GLN A 160 -19.766 33.535 7.019 1.00 16.15 C ATOM 1476 O GLN A 160 -19.166 34.297 6.268 1.00 18.47 O ATOM 1477 CB GLN A 160 -20.946 32.019 5.439 1.00 21.68 C ATOM 1478 CG GLN A 160 -19.975 30.885 5.702 1.00 26.45 C ATOM 1479 CD GLN A 160 -19.948 29.894 4.551 1.00 28.39 C ATOM 1480 OE1 GLN A 160 -20.763 29.975 3.638 1.00 31.42 O ATOM 1481 NE2 GLN A 160 -19.010 28.961 4.592 1.00 34.31 N ATOM 1482 HE22 GLN A 160 -18.340 28.932 5.387 1.00 0.00 H ATOM 1483 HE21 GLN A 160 -18.943 28.257 3.829 1.00 0.00 H ATOM 1484 H GLN A 160 -21.801 34.619 5.393 1.00 0.00 H ATOM 1485 N LEU A 161 -19.279 33.154 8.197 1.00 15.45 N ATOM 1486 CA LEU A 161 -17.974 33.634 8.661 1.00 14.73 C ATOM 1487 C LEU A 161 -16.881 33.189 7.686 1.00 20.75 C ATOM 1488 O LEU A 161 -16.993 32.129 7.069 1.00 17.84 O ATOM 1489 CB LEU A 161 -17.675 33.116 10.068 1.00 16.88 C ATOM 1490 CG LEU A 161 -18.168 33.912 11.283 1.00 18.72 C ATOM 1491 CD1 LEU A 161 -17.386 35.207 11.428 1.00 14.42 C ATOM 1492 CD2 LEU A 161 -19.665 34.200 11.163 1.00 20.30 C ATOM 1493 H LEU A 161 -19.831 32.508 8.796 1.00 0.00 H ATOM 1494 N ASN A 162 -15.854 34.017 7.511 1.00 19.38 N ATOM 1495 CA ASN A 162 -14.705 33.629 6.697 1.00 15.73 C ATOM 1496 C ASN A 162 -13.398 33.758 7.470 1.00 16.96 C ATOM 1497 O ASN A 162 -12.695 34.754 7.332 1.00 22.78 O ATOM 1498 CB ASN A 162 -14.617 34.469 5.427 1.00 19.56 C ATOM 1499 CG ASN A 162 -13.467 34.040 4.553 1.00 24.94 C ATOM 1500 OD1 ASN A 162 -13.146 32.851 4.488 1.00 29.87 O ATOM 1501 ND2 ASN A 162 -12.802 34.993 3.933 1.00 24.68 N ATOM 1502 HD22 ASN A 162 -13.111 35.982 4.018 1.00 0.00 H ATOM 1503 HD21 ASN A 162 -11.968 34.756 3.359 1.00 0.00 H ATOM 1504 H ASN A 162 -15.870 34.955 7.961 1.00 0.00 H ATOM 1505 N PRO A 163 -13.070 32.750 8.297 1.00 25.94 N ATOM 1506 CA PRO A 163 -11.878 32.809 9.151 1.00 23.38 C ATOM 1507 C PRO A 163 -10.574 32.853 8.359 1.00 21.12 C ATOM 1508 O PRO A 163 -9.560 33.316 8.878 1.00 19.58 O ATOM 1509 CB PRO A 163 -11.969 31.515 9.968 1.00 24.05 C ATOM 1510 CG PRO A 163 -12.771 30.587 9.117 1.00 23.85 C ATOM 1511 CD PRO A 163 -13.786 31.469 8.441 1.00 27.87 C ATOM 1512 N GLN A 164 -10.604 32.393 7.112 1.00 25.71 N ATOM 1513 CA GLN A 164 -9.391 32.312 6.304 1.00 29.60 C ATOM 1514 C GLN A 164 -8.799 33.688 6.051 1.00 33.14 C ATOM 1515 O GLN A 164 -7.605 33.823 5.789 1.00 34.54 O ATOM 1516 CB GLN A 164 -9.678 31.612 4.978 1.00 35.95 C ATOM 1517 CG GLN A 164 -10.060 30.155 5.142 1.00 37.54 C ATOM 1518 H GLN A 164 -11.510 32.085 6.704 1.00 0.00 H ATOM 1519 N GLY A 165 -9.640 34.711 6.142 1.00 29.53 N ATOM 1520 CA GLY A 165 -9.200 36.065 5.883 1.00 29.91 C ATOM 1521 C GLY A 165 -8.813 36.821 7.137 1.00 31.39 C ATOM 1522 O GLY A 165 -8.538 38.017 7.079 1.00 35.64 O ATOM 1523 H GLY A 165 -10.631 34.537 6.404 1.00 0.00 H ATOM 1524 N MET A 166 -8.790 36.133 8.275 1.00 22.91 N ATOM 1525 CA MET A 166 -8.473 36.801 9.531 1.00 21.42 C ATOM 1526 C MET A 166 -7.014 36.577 9.946 1.00 23.81 C ATOM 1527 O MET A 166 -6.342 35.664 9.461 1.00 22.33 O ATOM 1528 CB MET A 166 -9.428 36.336 10.624 1.00 18.59 C ATOM 1529 CG MET A 166 -10.869 36.668 10.285 1.00 17.89 C ATOM 1530 SD MET A 166 -12.057 35.936 11.406 1.00 20.12 S ATOM 1531 CE MET A 166 -13.593 36.516 10.683 1.00 27.37 C ATOM 1532 H MET A 166 -8.999 35.114 8.269 1.00 0.00 H ATOM 1533 N ASP A 167 -6.548 37.422 10.855 1.00 23.51 N ATOM 1534 CA ASP A 167 -5.148 37.416 11.261 1.00 26.15 C ATOM 1535 C ASP A 167 -4.810 36.203 12.136 1.00 24.51 C ATOM 1536 O ASP A 167 -5.531 35.873 13.080 1.00 26.91 O ATOM 1537 CB ASP A 167 -4.811 38.729 11.978 1.00 26.84 C ATOM 1538 CG ASP A 167 -5.056 39.952 11.097 1.00 29.68 C ATOM 1539 OD1 ASP A 167 -4.991 39.812 9.856 1.00 31.17 O ATOM 1540 OD2 ASP A 167 -5.309 41.052 11.636 1.00 28.76 O ATOM 1541 H ASP A 167 -7.198 38.107 11.290 1.00 0.00 H ATOM 1542 N THR A 168 -3.711 35.525 11.797 1.00 20.26 N ATOM 1543 CA THR A 168 -3.325 34.302 12.516 1.00 17.27 C ATOM 1544 C THR A 168 -1.934 34.381 13.156 1.00 18.36 C ATOM 1545 O THR A 168 -1.268 33.367 13.338 1.00 20.13 O ATOM 1546 CB THR A 168 -3.357 33.047 11.597 1.00 18.70 C ATOM 1547 OG1 THR A 168 -2.498 33.261 10.470 1.00 20.25 O ATOM 1548 CG2 THR A 168 -4.779 32.747 11.129 1.00 20.91 C ATOM 1549 HG1 THR A 168 -1.573 33.416 10.786 1.00 0.00 H ATOM 1550 H THR A 168 -3.119 35.867 11.013 1.00 0.00 H ATOM 1551 N SER A 169 -1.518 35.584 13.510 1.00 16.58 N ATOM 1552 CA SER A 169 -0.259 35.798 14.216 1.00 20.21 C ATOM 1553 C SER A 169 -0.422 35.571 15.718 1.00 23.48 C ATOM 1554 O SER A 169 0.514 35.164 16.411 1.00 24.64 O ATOM 1555 CB SER A 169 0.246 37.213 13.961 1.00 20.84 C ATOM 1556 OG SER A 169 1.416 37.484 14.711 1.00 21.91 O ATOM 1557 HG SER A 169 1.217 37.389 15.676 1.00 0.00 H ATOM 1558 H SER A 169 -2.109 36.408 13.277 1.00 0.00 H ATOM 1559 N ASN A 170 -1.618 35.855 16.210 1.00 19.48 N ATOM 1560 CA ASN A 170 -1.945 35.799 17.632 1.00 24.60 C ATOM 1561 C ASN A 170 -3.290 35.112 17.818 1.00 19.90 C ATOM 1562 O ASN A 170 -4.273 35.518 17.194 1.00 21.61 O ATOM 1563 CB ASN A 170 -1.979 37.224 18.220 1.00 24.01 C ATOM 1564 CG ASN A 170 -2.326 37.250 19.693 1.00 17.46 C ATOM 1565 OD1 ASN A 170 -3.420 36.864 20.088 1.00 24.30 O ATOM 1566 ND2 ASN A 170 -1.407 37.757 20.516 1.00 24.85 N ATOM 1567 HD22 ASN A 170 -0.490 38.073 20.140 1.00 0.00 H ATOM 1568 HD21 ASN A 170 -1.607 37.836 21.534 1.00 0.00 H ATOM 1569 H ASN A 170 -2.368 36.134 15.545 1.00 0.00 H ATOM 1570 N MET A 171 -3.348 34.090 18.680 1.00 14.58 N ATOM 1571 CA MET A 171 -4.587 33.353 18.911 1.00 14.19 C ATOM 1572 C MET A 171 -5.733 34.258 19.383 1.00 14.92 C ATOM 1573 O MET A 171 -6.868 34.129 18.933 1.00 17.96 O ATOM 1574 CB MET A 171 -4.369 32.265 19.961 1.00 15.96 C ATOM 1575 CG MET A 171 -3.490 31.127 19.528 1.00 15.65 C ATOM 1576 SD MET A 171 -3.612 29.799 20.742 1.00 20.98 S ATOM 1577 CE MET A 171 -2.361 28.676 20.101 1.00 29.52 C ATOM 1578 H MET A 171 -2.489 33.814 19.198 1.00 0.00 H ATOM 1579 N ASP A 172 -5.442 35.150 20.315 1.00 19.99 N ATOM 1580 CA ASP A 172 -6.517 35.943 20.901 1.00 27.28 C ATOM 1581 C ASP A 172 -6.966 37.059 19.959 1.00 22.97 C ATOM 1582 O ASP A 172 -8.127 37.481 19.989 1.00 22.73 O ATOM 1583 CB ASP A 172 -6.079 36.481 22.256 1.00 27.31 C ATOM 1584 CG ASP A 172 -5.650 35.365 23.181 1.00 26.59 C ATOM 1585 OD1 ASP A 172 -6.531 34.598 23.644 1.00 26.64 O ATOM 1586 OD2 ASP A 172 -4.437 35.222 23.402 1.00 25.89 O ATOM 1587 H ASP A 172 -4.459 35.284 20.626 1.00 0.00 H ATOM 1588 N VAL A 173 -6.063 37.505 19.094 1.00 18.47 N ATOM 1589 CA VAL A 173 -6.445 38.470 18.072 1.00 22.76 C ATOM 1590 C VAL A 173 -7.365 37.790 17.069 1.00 20.59 C ATOM 1591 O VAL A 173 -8.352 38.376 16.629 1.00 19.51 O ATOM 1592 CB VAL A 173 -5.232 39.060 17.343 1.00 19.93 C ATOM 1593 CG1 VAL A 173 -5.675 39.882 16.121 1.00 20.01 C ATOM 1594 CG2 VAL A 173 -4.425 39.915 18.297 1.00 27.39 C ATOM 1595 H VAL A 173 -5.082 37.165 19.146 1.00 0.00 H ATOM 1596 N PHE A 174 -7.036 36.549 16.712 1.00 16.51 N ATOM 1597 CA PHE A 174 -7.867 35.796 15.792 1.00 14.54 C ATOM 1598 C PHE A 174 -9.276 35.645 16.371 1.00 17.69 C ATOM 1599 O PHE A 174 -10.282 35.847 15.675 1.00 15.22 O ATOM 1600 CB PHE A 174 -7.257 34.420 15.498 1.00 14.64 C ATOM 1601 CG PHE A 174 -8.154 33.530 14.686 1.00 15.36 C ATOM 1602 CD1 PHE A 174 -8.181 33.621 13.305 1.00 22.92 C ATOM 1603 CD2 PHE A 174 -8.998 32.614 15.317 1.00 11.80 C ATOM 1604 CE1 PHE A 174 -9.026 32.798 12.555 1.00 18.80 C ATOM 1605 CE2 PHE A 174 -9.844 31.797 14.585 1.00 15.69 C ATOM 1606 CZ PHE A 174 -9.860 31.880 13.204 1.00 17.86 C ATOM 1607 H PHE A 174 -6.173 36.115 17.098 1.00 0.00 H ATOM 1608 N VAL A 175 -9.344 35.300 17.651 1.00 13.39 N ATOM 1609 CA VAL A 175 -10.629 35.111 18.318 1.00 13.10 C ATOM 1610 C VAL A 175 -11.387 36.421 18.375 1.00 14.05 C ATOM 1611 O VAL A 175 -12.588 36.446 18.114 1.00 16.55 O ATOM 1612 CB VAL A 175 -10.447 34.547 19.742 1.00 22.15 C ATOM 1613 CG1 VAL A 175 -11.744 34.611 20.515 1.00 21.96 C ATOM 1614 CG2 VAL A 175 -9.955 33.107 19.660 1.00 16.74 C ATOM 1615 H VAL A 175 -8.465 35.162 18.189 1.00 0.00 H ATOM 1616 N GLN A 176 -10.678 37.503 18.706 1.00 15.24 N ATOM 1617 CA GLN A 176 -11.266 38.841 18.747 1.00 20.09 C ATOM 1618 C GLN A 176 -11.845 39.242 17.387 1.00 23.06 C ATOM 1619 O GLN A 176 -12.957 39.755 17.319 1.00 18.50 O ATOM 1620 CB GLN A 176 -10.223 39.871 19.212 1.00 19.24 C ATOM 1621 CG GLN A 176 -10.619 41.332 18.988 1.00 21.93 C ATOM 1622 CD GLN A 176 -10.102 41.890 17.663 1.00 25.49 C ATOM 1623 OE1 GLN A 176 -8.902 41.854 17.385 1.00 27.13 O ATOM 1624 NE2 GLN A 176 -11.016 42.413 16.839 1.00 25.33 N ATOM 1625 HE22 GLN A 176 -12.019 42.423 17.114 1.00 0.00 H ATOM 1626 HE21 GLN A 176 -10.724 42.810 15.923 1.00 0.00 H ATOM 1627 H GLN A 176 -9.672 37.390 18.943 1.00 0.00 H ATOM 1628 N GLN A 177 -11.099 39.009 16.308 1.00 18.96 N ATOM 1629 CA GLN A 177 -11.588 39.380 14.980 1.00 17.26 C ATOM 1630 C GLN A 177 -12.796 38.533 14.601 1.00 16.85 C ATOM 1631 O GLN A 177 -13.749 39.020 13.990 1.00 18.81 O ATOM 1632 CB GLN A 177 -10.476 39.241 13.929 1.00 18.28 C ATOM 1633 CG GLN A 177 -9.348 40.235 14.127 1.00 19.45 C ATOM 1634 CD GLN A 177 -8.321 40.220 13.002 1.00 20.33 C ATOM 1635 OE1 GLN A 177 -8.397 39.406 12.081 1.00 19.86 O ATOM 1636 NE2 GLN A 177 -7.356 41.131 13.076 1.00 24.01 N ATOM 1637 HE22 GLN A 177 -7.331 41.799 13.873 1.00 0.00 H ATOM 1638 HE21 GLN A 177 -6.626 41.176 12.337 1.00 0.00 H ATOM 1639 H GLN A 177 -10.166 38.562 16.410 1.00 0.00 H ATOM 1640 N TYR A 178 -12.751 37.262 14.974 1.00 14.72 N ATOM 1641 CA TYR A 178 -13.832 36.338 14.664 1.00 14.03 C ATOM 1642 C TYR A 178 -15.097 36.743 15.399 1.00 18.59 C ATOM 1643 O TYR A 178 -16.158 36.867 14.790 1.00 16.86 O ATOM 1644 CB TYR A 178 -13.422 34.909 15.034 1.00 14.70 C ATOM 1645 CG TYR A 178 -14.293 33.813 14.448 1.00 16.00 C ATOM 1646 CD1 TYR A 178 -15.512 33.470 15.032 1.00 22.16 C ATOM 1647 CD2 TYR A 178 -13.877 33.089 13.338 1.00 17.14 C ATOM 1648 CE1 TYR A 178 -16.303 32.453 14.511 1.00 19.58 C ATOM 1649 CE2 TYR A 178 -14.669 32.056 12.809 1.00 14.04 C ATOM 1650 CZ TYR A 178 -15.878 31.748 13.407 1.00 20.12 C ATOM 1651 OH TYR A 178 -16.663 30.732 12.894 1.00 18.92 O ATOM 1652 HH TYR A 178 -16.905 30.944 11.958 1.00 0.00 H ATOM 1653 H TYR A 178 -11.923 36.917 15.501 1.00 0.00 H ATOM 1654 N ALA A 179 -14.981 36.944 16.713 1.00 17.83 N ATOM 1655 CA ALA A 179 -16.125 37.307 17.535 1.00 19.20 C ATOM 1656 C ALA A 179 -16.691 38.661 17.128 1.00 19.38 C ATOM 1657 O ALA A 179 -17.908 38.827 17.037 1.00 20.15 O ATOM 1658 CB ALA A 179 -15.741 37.313 19.016 1.00 20.30 C ATOM 1659 H ALA A 179 -14.048 36.838 17.161 1.00 0.00 H ATOM 1660 N ASP A 180 -15.811 39.627 16.888 1.00 18.91 N ATOM 1661 CA ASP A 180 -16.256 40.950 16.485 1.00 18.57 C ATOM 1662 C ASP A 180 -16.977 40.907 15.137 1.00 20.71 C ATOM 1663 O ASP A 180 -17.881 41.718 14.895 1.00 22.29 O ATOM 1664 CB ASP A 180 -15.087 41.937 16.427 1.00 19.47 C ATOM 1665 CG ASP A 180 -14.598 42.358 17.808 1.00 20.97 C ATOM 1666 OD1 ASP A 180 -15.260 42.010 18.807 1.00 21.67 O ATOM 1667 OD2 ASP A 180 -13.550 43.041 17.884 1.00 20.67 O ATOM 1668 H ASP A 180 -14.794 39.434 16.990 1.00 0.00 H ATOM 1669 N THR A 181 -16.596 39.982 14.257 1.00 17.77 N ATOM 1670 CA THR A 181 -17.307 39.857 12.980 1.00 18.05 C ATOM 1671 C THR A 181 -18.708 39.307 13.237 1.00 20.93 C ATOM 1672 O THR A 181 -19.676 39.781 12.659 1.00 18.75 O ATOM 1673 CB THR A 181 -16.581 38.937 11.972 1.00 17.25 C ATOM 1674 OG1 THR A 181 -15.291 39.483 11.675 1.00 17.64 O ATOM 1675 CG2 THR A 181 -17.385 38.817 10.664 1.00 18.38 C ATOM 1676 HG1 THR A 181 -14.760 39.545 12.509 1.00 0.00 H ATOM 1677 H THR A 181 -15.798 39.351 14.474 1.00 0.00 H ATOM 1678 N VAL A 182 -18.816 38.314 14.117 1.00 19.69 N ATOM 1679 CA VAL A 182 -20.134 37.770 14.436 1.00 17.88 C ATOM 1680 C VAL A 182 -21.051 38.867 14.989 1.00 23.33 C ATOM 1681 O VAL A 182 -22.214 38.975 14.586 1.00 19.17 O ATOM 1682 CB VAL A 182 -20.049 36.616 15.446 1.00 16.57 C ATOM 1683 CG1 VAL A 182 -21.449 36.074 15.733 1.00 18.82 C ATOM 1684 CG2 VAL A 182 -19.146 35.529 14.917 1.00 16.88 C ATOM 1685 H VAL A 182 -17.966 37.927 14.575 1.00 0.00 H ATOM 1686 N LYS A 183 -20.521 39.687 15.898 1.00 20.01 N ATOM 1687 CA LYS A 183 -21.264 40.822 16.462 1.00 23.98 C ATOM 1688 C LYS A 183 -21.728 41.801 15.384 1.00 22.57 C ATOM 1689 O LYS A 183 -22.888 42.207 15.349 1.00 25.12 O ATOM 1690 CB LYS A 183 -20.395 41.550 17.485 1.00 28.21 C ATOM 1691 CG LYS A 183 -21.122 42.566 18.354 1.00 40.36 C ATOM 1692 CD LYS A 183 -20.176 43.123 19.418 1.00 52.33 C ATOM 1693 CE LYS A 183 -19.346 44.292 18.882 1.00 59.19 C ATOM 1694 NZ LYS A 183 -17.904 44.251 19.271 1.00 56.72 N ATOM 1695 HZ1 LYS A 183 -17.825 44.271 20.308 1.00 0.00 H ATOM 1696 HZ2 LYS A 183 -17.472 43.378 18.906 1.00 0.00 H ATOM 1697 HZ3 LYS A 183 -17.414 45.076 18.869 1.00 0.00 H ATOM 1698 H LYS A 183 -19.547 39.517 16.219 1.00 0.00 H ATOM 1699 N TYR A 184 -20.803 42.171 14.506 1.00 22.08 N ATOM 1700 CA TYR A 184 -21.089 43.065 13.387 1.00 22.87 C ATOM 1701 C TYR A 184 -22.219 42.529 12.505 1.00 28.50 C ATOM 1702 O TYR A 184 -23.132 43.271 12.118 1.00 27.89 O ATOM 1703 CB TYR A 184 -19.823 43.277 12.548 1.00 22.79 C ATOM 1704 CG TYR A 184 -20.085 43.851 11.178 1.00 26.80 C ATOM 1705 CD1 TYR A 184 -20.269 45.221 11.002 1.00 29.04 C ATOM 1706 CD2 TYR A 184 -20.157 43.028 10.058 1.00 26.47 C ATOM 1707 CE1 TYR A 184 -20.515 45.759 9.754 1.00 34.16 C ATOM 1708 CE2 TYR A 184 -20.410 43.564 8.793 1.00 26.58 C ATOM 1709 CZ TYR A 184 -20.585 44.929 8.653 1.00 34.78 C ATOM 1710 OH TYR A 184 -20.830 45.469 7.408 1.00 37.00 O ATOM 1711 HH TYR A 184 -20.073 45.261 6.805 1.00 0.00 H ATOM 1712 H TYR A 184 -19.835 41.809 14.620 1.00 0.00 H ATOM 1713 N LEU A 185 -22.136 41.241 12.179 1.00 24.60 N ATOM 1714 CA LEU A 185 -23.139 40.592 11.345 1.00 21.52 C ATOM 1715 C LEU A 185 -24.484 40.465 12.046 1.00 25.26 C ATOM 1716 O LEU A 185 -25.526 40.590 11.412 1.00 33.78 O ATOM 1717 CB LEU A 185 -22.667 39.204 10.921 1.00 19.97 C ATOM 1718 CG LEU A 185 -21.467 39.174 9.982 1.00 19.77 C ATOM 1719 CD1 LEU A 185 -21.034 37.733 9.742 1.00 18.33 C ATOM 1720 CD2 LEU A 185 -21.809 39.880 8.688 1.00 23.67 C ATOM 1721 H LEU A 185 -21.332 40.682 12.530 1.00 0.00 H ATOM 1722 N SER A 186 -24.465 40.195 13.346 1.00 21.23 N ATOM 1723 CA SER A 186 -25.713 40.057 14.095 1.00 30.33 C ATOM 1724 C SER A 186 -26.501 41.377 14.114 1.00 40.26 C ATOM 1725 O SER A 186 -27.730 41.379 14.195 1.00 44.47 O ATOM 1726 CB SER A 186 -25.438 39.592 15.527 1.00 29.00 C ATOM 1727 OG SER A 186 -24.906 40.642 16.319 1.00 33.78 O ATOM 1728 HG SER A 186 -24.055 40.956 15.921 1.00 0.00 H ATOM 1729 H SER A 186 -23.555 40.081 13.836 1.00 0.00 H ATOM 1730 N GLU A 187 -25.782 42.495 14.031 1.00 46.95 N ATOM 1731 CA GLU A 187 -26.394 43.824 14.030 1.00 54.66 C ATOM 1732 C GLU A 187 -26.734 44.286 12.614 1.00 56.67 C ATOM 1733 O GLU A 187 -27.237 45.392 12.411 1.00 58.22 O ATOM 1734 CB GLU A 187 -25.459 44.838 14.698 1.00 56.95 C ATOM 1735 CG GLU A 187 -25.084 44.498 16.137 1.00 57.19 C ATOM 1736 CD GLU A 187 -23.902 45.308 16.649 1.00 64.84 C ATOM 1737 OE1 GLU A 187 -23.200 45.933 15.824 1.00 71.32 O ATOM 1738 OE2 GLU A 187 -23.666 45.313 17.877 1.00 65.77 O ATOM 1739 H GLU A 187 -24.747 42.421 13.964 1.00 0.00 H ATOM 1740 N LYS A 188 -26.456 43.427 11.638 1.00 55.81 N ATOM 1741 CA LYS A 188 -26.618 43.768 10.230 1.00 54.92 C ATOM 1742 C LYS A 188 -27.996 43.372 9.700 1.00 56.57 C ATOM 1743 O LYS A 188 -28.218 42.225 9.305 1.00 55.05 O ATOM 1744 CB LYS A 188 -25.518 43.095 9.408 1.00 47.97 C ATOM 1745 CG LYS A 188 -25.434 43.557 7.976 1.00 54.69 C ATOM 1746 CD LYS A 188 -24.149 43.091 7.319 1.00 52.12 C ATOM 1747 CE LYS A 188 -24.014 43.701 5.935 1.00 60.36 C ATOM 1748 NZ LYS A 188 -22.693 43.403 5.323 1.00 65.57 N ATOM 1749 HZ1 LYS A 188 -21.938 43.790 5.925 1.00 0.00 H ATOM 1750 HZ2 LYS A 188 -22.576 42.373 5.238 1.00 0.00 H ATOM 1751 HZ3 LYS A 188 -22.643 43.838 4.380 1.00 0.00 H ATOM 1752 H LYS A 188 -26.111 42.478 11.888 1.00 0.00 H TER 1753 LYS A 188 HETATM 1754 O HOH 1 -15.664 26.300 27.572 1.00 31.43 O HETATM 1755 O HOH 2 -28.962 -0.081 28.603 1.00 41.51 O HETATM 1756 O HOH 3 -19.549 44.694 5.026 1.00 34.46 O HETATM 1757 O HOH 4 -16.276 46.440 -0.683 1.00 32.71 O HETATM 1758 O HOH 5 -13.647 27.086 8.554 1.00 31.59 O HETATM 1759 O HOH 6 -28.881 10.146 8.023 1.00 42.61 O HETATM 1760 O HOH 7 -14.592 -0.004 19.109 1.00 24.36 O HETATM 1761 O HOH 8 -7.468 42.092 19.385 1.00 37.74 O HETATM 1762 O HOH 9 -28.774 29.801 17.303 1.00 39.43 O HETATM 1763 O HOH 10 -26.285 11.616 10.251 1.00 33.09 O HETATM 1764 O HOH 11 -2.563 36.913 23.549 1.00 28.12 O HETATM 1765 O HOH 12 -17.686 28.442 14.367 1.00 22.99 O HETATM 1766 O HOH 13 -18.019 14.148 10.593 1.00 35.62 O HETATM 1767 O HOH 14 -16.877 26.768 17.691 1.00 23.23 O HETATM 1768 O HOH 15 -32.255 2.132 28.122 1.00 41.26 O HETATM 1769 O HOH 16 -5.382 34.274 7.522 1.00 30.49 O HETATM 1770 O HOH 17 -25.592 6.665 13.345 1.00 30.54 O HETATM 1771 O HOH 18 3.075 35.354 16.647 1.00 21.94 O HETATM 1772 O HOH 19 -27.696 31.283 11.040 1.00 23.61 O HETATM 1773 O HOH 20 -25.638 22.712 21.976 1.00 25.57 O HETATM 1774 O HOH 21 -31.657 26.482 17.437 1.00 33.53 O HETATM 1775 O HOH 22 -22.985 27.839 18.591 1.00 19.21 O HETATM 1776 O HOH 23 -1.975 36.783 9.784 1.00 27.54 O HETATM 1777 O HOH 24 -17.201 25.322 22.358 1.00 22.87 O HETATM 1778 O HOH 25 -1.645 26.791 8.534 1.00 27.63 O HETATM 1779 O HOH 26 -10.351 2.038 21.943 1.00 33.98 O HETATM 1780 O HOH 27 -32.724 21.831 10.477 1.00 33.94 O HETATM 1781 O HOH 28 -15.509 45.356 14.858 1.00 23.91 O HETATM 1782 O HOH 29 -15.712 10.495 28.855 1.00 28.58 O HETATM 1783 O HOH 30 -26.293 10.014 12.109 1.00 23.42 O HETATM 1784 O HOH 31 -5.624 11.896 14.952 1.00 28.95 O HETATM 1785 O HOH 32 -6.058 16.214 14.377 1.00 23.42 O HETATM 1786 O HOH 33 -13.821 6.290 10.779 1.00 36.75 O HETATM 1787 O HOH 34 -20.669 37.012 -0.703 1.00 23.97 O HETATM 1788 O HOH 35 -16.112 18.706 27.329 1.00 13.96 O HETATM 1789 O HOH 36 -24.580 35.704 24.256 1.00 25.91 O HETATM 1790 O HOH 37 0.777 39.198 16.621 1.00 27.40 O HETATM 1791 O HOH 38 -19.415 22.367 24.561 1.00 34.95 O HETATM 1792 O HOH 39 -32.229 34.372 6.647 1.00 34.37 O HETATM 1793 O HOH 40 -7.956 12.296 26.290 1.00 27.04 O HETATM 1794 O HOH 41 -20.198 0.915 26.144 1.00 39.49 O HETATM 1795 O HOH 42 -22.856 4.824 20.622 1.00 23.44 O HETATM 1796 O HOH 43 -13.992 6.506 27.518 1.00 23.58 O HETATM 1797 O HOH 44 -8.250 18.275 27.862 1.00 30.41 O HETATM 1798 O HOH 45 -9.839 37.365 22.054 1.00 28.27 O HETATM 1799 O HOH 46 -16.447 9.856 5.415 1.00 27.57 O HETATM 1800 O HOH 47 -22.019 27.384 2.478 1.00 31.67 O HETATM 1801 O HOH 48 -16.020 0.049 23.234 1.00 36.95 O HETATM 1802 O HOH 49 -17.767 32.939 27.560 1.00 31.18 O HETATM 1803 O HOH 50 -27.291 21.660 29.628 1.00 36.53 O HETATM 1804 O HOH 51 -7.736 43.100 15.287 1.00 27.76 O HETATM 1805 O HOH 52 -32.494 7.239 17.238 1.00 22.02 O HETATM 1806 O HOH 53 -13.046 22.795 26.214 1.00 22.36 O HETATM 1807 O HOH 54 -9.368 32.284 23.144 1.00 18.67 O HETATM 1808 O HOH 55 -13.616 45.492 16.724 1.00 20.57 O HETATM 1809 O HOH 56 -25.644 26.338 22.195 1.00 37.37 O HETATM 1810 O HOH 57 -8.947 10.285 24.798 1.00 16.12 O HETATM 1811 O HOH 58 -29.214 21.016 24.224 1.00 25.14 O HETATM 1812 O HOH 59 -16.977 28.481 6.336 1.00 30.08 O HETATM 1813 O HOH 60 -16.256 15.169 30.928 1.00 26.76 O HETATM 1814 O HOH 61 -11.998 7.421 24.030 1.00 20.90 O HETATM 1815 O HOH 62 -15.317 22.743 17.400 1.00 17.69 O HETATM 1816 O HOH 63 -18.072 44.213 15.982 1.00 27.38 O HETATM 1817 O HOH 64 -16.659 22.563 19.680 1.00 19.13 O HETATM 1818 O HOH 65 -15.920 29.392 10.630 1.00 12.85 O HETATM 1819 O HOH 66 -16.893 19.490 30.946 1.00 18.56 O HETATM 1820 O HOH 67 -36.045 16.213 18.226 1.00 31.18 O HETATM 1821 O HOH 68 -17.192 19.296 0.572 1.00 28.84 O HETATM 1822 O HOH 69 -21.458 26.012 -0.833 1.00 34.67 O HETATM 1823 O HOH 70 -22.702 37.729 26.620 1.00 42.70 O HETATM 1824 O HOH 71 -28.837 0.775 21.609 1.00 28.04 O HETATM 1825 O HOH 72 -2.023 40.146 15.441 1.00 28.69 O HETATM 1826 O HOH 73 -4.764 18.763 22.926 1.00 13.84 O HETATM 1827 O HOH 74 -12.766 10.569 7.194 1.00 32.53 O HETATM 1828 O HOH 75 -19.498 25.592 2.944 1.00 30.52 O HETATM 1829 O HOH 76 -31.005 14.262 5.465 1.00 45.71 O HETATM 1830 O HOH 77 -17.606 29.882 8.535 1.00 20.13 O HETATM 1831 O HOH 78 -9.377 8.423 14.974 1.00 26.36 O HETATM 1832 O HOH 79 -13.273 41.852 13.086 1.00 20.71 O HETATM 1833 O HOH 80 -25.044 18.342 9.595 1.00 27.95 O HETATM 1834 O HOH 81 -22.556 23.513 31.233 1.00 24.02 O HETATM 1835 O HOH 82 -26.839 17.279 4.913 1.00 29.24 O HETATM 1836 O HOH 83 -14.560 25.756 25.092 1.00 19.31 O HETATM 1837 O HOH 84 -6.243 15.754 27.869 1.00 25.47 O HETATM 1838 O HOH 85 -11.732 10.004 25.026 1.00 15.80 O HETATM 1839 O HOH 86 -27.055 22.259 26.851 1.00 30.21 O HETATM 1840 O HOH 87 -25.350 33.389 23.220 1.00 30.84 O HETATM 1841 O HOH 88 -5.500 17.569 25.175 1.00 23.65 O HETATM 1842 O HOH 89 -6.198 20.219 26.472 1.00 23.33 O HETATM 1843 O HOH 90 -32.710 8.952 27.915 1.00 25.54 O HETATM 1844 O HOH 91 -31.759 11.534 8.787 1.00 36.04 O HETATM 1845 O HOH 92 -11.794 31.791 26.128 1.00 24.48 O HETATM 1846 O HOH 93 -29.946 14.765 30.981 1.00 36.32 O HETATM 1847 O HOH 94 -17.680 25.684 13.961 1.00 21.71 O HETATM 1848 O HOH 95 -23.639 45.870 11.245 1.00 30.09 O HETATM 1849 O HOH 96 -33.043 15.781 7.168 1.00 35.27 O HETATM 1850 O HOH 97 -9.967 40.315 9.943 1.00 26.39 O HETATM 1851 O HOH 98 -16.766 48.170 8.605 1.00 33.72 O HETATM 1852 O HOH 99 -17.119 32.537 4.292 1.00 26.24 O HETATM 1853 O HOH 100 -26.751 22.965 19.428 1.00 18.54 O HETATM 1854 O HOH 101 -23.866 21.203 27.863 1.00 16.78 O HETATM 1855 O HOH 102 -12.025 0.027 21.747 1.00 32.54 O HETATM 1856 O HOH 103 -9.977 21.650 9.792 1.00 27.74 O HETATM 1857 O HOH 104 -32.583 10.651 11.382 1.00 25.98 O HETATM 1858 O HOH 105 -25.899 41.797 18.721 1.00 33.71 O HETATM 1859 O HOH 106 -2.555 15.923 28.099 1.00 34.49 O HETATM 1860 O HOH 107 -5.564 34.078 26.269 1.00 34.21 O HETATM 1861 O HOH 108 -17.874 25.983 5.168 1.00 28.01 O HETATM 1862 O HOH 109 -4.012 22.083 20.153 1.00 26.74 O HETATM 1863 O HOH 110 -3.376 37.569 14.745 1.00 26.29 O HETATM 1864 O HOH 111 -28.492 8.376 12.627 1.00 28.12 O HETATM 1865 O HOH 112 -9.385 34.924 23.525 1.00 27.16 O HETATM 1866 O HOH 113 -19.471 26.789 27.480 1.00 24.16 O HETATM 1867 O HOH 114 -24.679 2.695 14.384 1.00 31.73 O HETATM 1868 O HOH 115 -34.599 11.221 23.781 1.00 24.17 O HETATM 1869 O HOH 116 -30.215 4.277 15.482 1.00 34.05 O HETATM 1870 O HOH 117 -13.980 5.617 24.700 1.00 19.27 O HETATM 1871 O HOH 118 -18.016 40.716 -2.522 1.00 39.09 O HETATM 1872 O HOH 119 -23.192 23.947 25.271 1.00 29.52 O HETATM 1873 O HOH 120 -26.420 2.106 22.384 1.00 36.21 O HETATM 1874 O HOH 121 -13.471 5.442 33.825 1.00 43.09 O HETATM 1875 O HOH 122 -16.713 48.601 11.394 1.00 26.42 O HETATM 1876 O HOH 123 -2.686 7.062 20.338 1.00 30.58 O HETATM 1877 O HOH 124 -15.962 27.589 23.327 1.00 20.33 O HETATM 1878 O HOH 125 -15.754 26.657 20.235 1.00 19.17 O HETATM 1879 O HOH 126 -23.009 5.845 34.010 1.00 41.60 O HETATM 1880 O HOH 127 -17.059 22.997 25.909 1.00 36.23 O HETATM 1881 O HOH 128 -20.619 -0.109 18.121 1.00 40.29 O HETATM 1882 O HOH 129 -26.571 31.572 -6.880 1.00 42.91 O HETATM 1883 O HOH 130 -12.709 49.440 3.220 1.00 41.58 O HETATM 1884 O HOH 131 -15.826 4.283 10.606 1.00 29.94 O HETATM 1885 O HOH 132 3.571 39.505 14.473 1.00 26.38 O HETATM 1886 O HOH 133 -13.507 30.048 27.469 1.00 27.82 O HETATM 1887 O HOH 134 -10.978 27.549 9.535 1.00 24.07 O HETATM 1888 O HOH 135 -13.520 2.943 24.546 1.00 25.91 O HETATM 1889 O HOH 136 -11.090 43.597 14.092 1.00 29.10 O HETATM 1890 O HOH 137 -16.640 5.590 34.889 1.00 41.30 O HETATM 1891 O HOH 138 -3.097 38.156 8.199 1.00 33.39 O HETATM 1892 O HOH 139 -14.940 32.461 28.124 1.00 36.84 O HETATM 1893 O HOH 140 -18.379 1.887 29.849 1.00 39.43 O HETATM 1894 O HOH 141 -2.751 10.487 12.899 1.00 43.04 O HETATM 1895 O HOH 142 -11.500 42.125 10.614 1.00 22.64 O HETATM 1896 O HOH 143 1.124 38.975 19.264 1.00 36.42 O HETATM 1897 O HOH 144 -36.548 16.787 11.967 1.00 35.81 O HETATM 1898 O HOH 145 -20.115 45.826 15.479 1.00 37.83 O HETATM 1899 O HOH 146 -18.513 20.624 20.364 1.00 16.78 O HETATM 1900 O HOH 147 -19.052 45.001 1.519 1.00 31.51 O HETATM 1901 O HOH 148 -24.156 16.783 7.660 1.00 31.62 O HETATM 1902 O HOH 149 -34.804 16.226 24.560 1.00 42.17 O HETATM 1903 O HOH 150 -21.297 25.355 21.859 1.00 31.13 O HETATM 1904 O HOH 151 -10.788 13.927 27.465 1.00 29.01 O HETATM 1905 O HOH 152 -5.139 12.416 26.885 1.00 28.77 O HETATM 1906 O HOH 153 -11.381 46.076 3.921 1.00 33.68 O HETATM 1907 O HOH 154 -40.119 15.453 15.416 1.00 41.19 O HETATM 1908 O HOH 155 -11.761 46.035 15.174 1.00 34.19 O HETATM 1909 O HOH 156 -20.027 22.568 22.154 1.00 24.70 O HETATM 1910 O HOH 157 -23.314 19.533 30.689 1.00 37.22 O HETATM 1911 O HOH 158 -32.507 1.638 24.970 1.00 30.38 O HETATM 1912 O HOH 159 -12.215 19.979 8.763 1.00 25.52 O HETATM 1913 O HOH 160 -25.074 30.125 -1.465 1.00 36.59 O HETATM 1914 O HOH 161 -24.696 48.210 18.984 1.00 27.65 O HETATM 1915 O HOH 162 -25.119 48.578 16.456 1.00 50.18 O HETATM 1916 O HOH 163 -14.193 19.937 6.135 1.00 20.65 O HETATM 1917 O HOH 164 -22.541 0.463 20.463 1.00 35.90 O HETATM 1918 O HOH 165 -2.476 5.724 13.300 1.00 32.03 O HETATM 1919 O HOH 166 -34.298 9.190 25.966 1.00 28.33 O HETATM 1920 O HOH 167 -26.061 3.356 35.727 1.00 35.63 O HETATM 1921 O HOH 168 -35.281 18.385 9.922 1.00 31.90 O HETATM 1922 O HOH 169 -24.882 2.969 20.510 1.00 36.31 O HETATM 1923 O HOH 170 -10.146 35.135 26.190 1.00 36.02 O HETATM 1924 O HOH 171 -8.081 7.804 26.149 1.00 35.37 O HETATM 1925 O HOH 172 -5.322 21.296 8.967 1.00 40.91 O HETATM 1926 O HOH 173 -13.673 9.014 28.677 1.00 30.19 O HETATM 1927 O HOH 174 -31.029 16.523 4.722 1.00 43.96 O HETATM 1928 O HOH 175 -12.331 26.672 28.775 1.00 35.24 O HETATM 1929 O HOH 176 -20.755 19.967 31.749 1.00 26.70 O HETATM 1930 O HOH 177 -10.203 21.935 26.153 1.00 23.63 O HETATM 1931 O HOH 178 -24.193 46.692 8.223 1.00 37.60 O HETATM 1932 O HOH 179 -34.542 13.664 25.281 1.00 45.24 O HETATM 1933 O HOH 180 -18.051 24.907 28.212 1.00 30.76 O HETATM 1934 O HOH 181 -12.787 38.215 21.734 1.00 29.57 O HETATM 1935 O HOH 182 -14.993 12.202 30.890 1.00 22.54 O HETATM 1936 O HOH 183 -38.810 15.761 18.216 1.00 30.55 O HETATM 1937 O HOH 184 -12.101 24.252 28.087 1.00 30.75 O HETATM 1938 O HOH 185 -19.461 25.617 23.788 1.00 41.38 O HETATM 1939 O HOH 186 -31.144 8.695 12.842 1.00 37.69 O HETATM 1940 O HOH 187 -23.134 27.036 20.959 1.00 28.10 O HETATM 1941 O HOH 188 -37.448 14.632 11.033 1.00 34.37 O HETATM 1942 O HOH 189 -5.935 6.799 26.025 1.00 33.42 O HETATM 1943 O HOH 190 -15.828 22.086 30.761 1.00 27.10 O HETATM 1944 O HOH 191 -34.006 17.724 22.297 1.00 29.43 O HETATM 1945 O HOH 192 -14.181 28.879 5.991 1.00 38.66 O HETATM 1946 O HOH 193 -16.138 24.669 15.792 1.00 38.05 O HETATM 1947 O HOH 194 -30.797 21.041 19.276 1.00 38.79 O HETATM 1948 O HOH 195 -16.867 20.359 -1.838 1.00 36.96 O HETATM 1949 O HOH 196 -29.393 23.156 19.943 1.00 31.86 O HETATM 1950 O HOH 197 -34.111 7.280 29.907 1.00 33.45 O HETATM 1951 O HOH 198 -12.150 6.170 12.512 1.00 42.43 O HETATM 1952 O HOH 199 -22.712 23.154 22.425 1.00 24.33 O HETATM 1953 O HOH 200 -36.135 17.753 20.503 1.00 31.18 O HETATM 1954 O HOH 201 -11.699 9.930 27.707 1.00 36.32 O HETATM 1955 O3 SFQ A 202 -4.047 27.834 8.558 1.00 -0.57 O HETATM 1956 C13 SFQ A 202 -4.740 27.640 9.556 1.00 0.05 C HETATM 1957 O4 SFQ A 202 -4.538 26.768 10.446 1.00 -0.57 O HETATM 1958 C8 SFQ A 202 -5.963 28.491 9.729 1.00 0.03 C HETATM 1959 C9 SFQ A 202 -6.050 29.651 8.940 1.00 -0.06 C HETATM 1960 C10 SFQ A 202 -7.150 30.500 9.017 1.00 -0.08 C HETATM 1961 C11 SFQ A 202 -8.165 30.186 9.886 1.00 -0.07 C HETATM 1962 C12 SFQ A 202 -8.091 29.037 10.659 1.00 -0.04 C HETATM 1963 C7 SFQ A 202 -7.005 28.174 10.613 1.00 0.08 C HETATM 1964 N1 SFQ A 202 -7.023 26.984 11.480 1.00 -0.18 N HETATM 1965 S1 SFQ A 202 -7.146 26.918 13.126 1.00 0.09 S HETATM 1966 O1 SFQ A 202 -6.544 25.711 13.581 1.00 -0.14 O HETATM 1967 O2 SFQ A 202 -8.472 27.176 13.564 1.00 -0.14 O HETATM 1968 C4 SFQ A 202 -6.170 28.211 13.799 1.00 0.12 C HETATM 1969 C2 SFQ A 202 -4.849 28.047 14.193 1.00 -0.03 C HETATM 1970 C1 SFQ A 202 -4.053 29.074 14.712 1.00 -0.05 C HETATM 1971 C3 SFQ A 202 -4.613 30.320 14.839 1.00 0.01 C HETATM 1972 I1 SFQ A 202 -3.477 31.816 15.579 1.00 -0.05 I HETATM 1973 C6 SFQ A 202 -5.917 30.576 14.466 1.00 -0.05 C HETATM 1974 C5 SFQ A 202 -6.673 29.517 13.947 1.00 -0.03 C HETATM 1975 H9 SFQ A 202 -7.695 29.713 13.645 1.00 0.06 H HETATM 1976 H8 SFQ A 202 -6.343 31.567 14.572 1.00 0.06 H HETATM 1977 H7 SFQ A 202 -3.026 28.891 15.005 1.00 0.06 H HETATM 1978 H6 SFQ A 202 -4.407 27.062 14.092 1.00 0.06 H HETATM 1979 H5 SFQ A 202 -6.952 26.103 11.012 1.00 0.22 H HETATM 1980 H4 SFQ A 202 -8.914 28.804 11.325 1.00 0.05 H HETATM 1981 H3 SFQ A 202 -9.027 30.838 9.968 1.00 0.06 H HETATM 1982 H2 SFQ A 202 -7.204 31.392 8.403 1.00 0.05 H HETATM 1983 H1 SFQ A 202 -5.243 29.889 8.257 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 274 273 299 CONECT 299 274 298 CONECT 1955 1956 CONECT 1956 1955 1957 1958 CONECT 1957 1956 CONECT 1958 1956 1959 1963 CONECT 1959 1958 1960 1983 CONECT 1960 1959 1961 1982 CONECT 1961 1960 1962 1981 CONECT 1962 1961 1963 1980 CONECT 1963 1958 1962 1964 CONECT 1964 1963 1965 1979 CONECT 1965 1964 1966 1967 1968 CONECT 1966 1965 CONECT 1967 1965 CONECT 1968 1965 1969 1974 CONECT 1969 1968 1970 1978 CONECT 1970 1969 1971 1977 CONECT 1971 1970 1972 1973 CONECT 1972 1971 CONECT 1973 1971 1974 1976 CONECT 1974 1968 1973 1975 CONECT 1975 1974 CONECT 1976 1973 CONECT 1977 1970 CONECT 1978 1969 CONECT 1979 1964 CONECT 1980 1962 CONECT 1981 1961 CONECT 1982 1960 CONECT 1983 1959 MASTER 0 0 0 0 0 0 0 0 1982 1 35 15 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 4zij
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2ndo
RCSB PDB
PDBbind
189aa, >2NDO_1|Chain... at 99%
4tky
RCSB PDB
PDBbind
191aa, >4TKY_1|Chains... *
4wet
RCSB PDB
PDBbind
189aa, >4WET_1|Chains... at 99%
4wey
RCSB PDB
PDBbind
189aa, >4WEY_1|Chains... at 99%
4wf4
RCSB PDB
PDBbind
189aa, >4WF4_1|Chains... at 99%
6pvz
RCSB PDB
PDBbind
189aa, >6PVZ_1|Chains... at 99%
6pvy
RCSB PDB
PDBbind
189aa, >6PVY_1|Chains... at 99%
6poq
RCSB PDB
PDBbind
189aa, >6POQ_1|Chains... at 99%
6poi
RCSB PDB
PDBbind
189aa, >6POI_1|Chains... at 99%
6poh
RCSB PDB
PDBbind
189aa, >6POH_1|Chains... at 99%
6pml
RCSB PDB
PDBbind
189aa, >6PML_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2ndo
RCSB PDB
PDBbind
SFQ
Entry Information
PDB ID
4zij
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E.Coli Disulfide-dithiol oxidoreductase enzyme DsbA
Ligand Name
SFQ
EC.Number
E.C.-.-.-.-
Resolution
1.78(Å)
Affinity (Kd/Ki/IC50)
Kd=565uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biomol.Nmr Vol. 66: pp. 195-208
Ligand Properties
Formula
C
1
3
H
1
0
INO
4
S
Molecular Weight
403.192
Exact Mass
402.938
No. of atoms
30
No. of bonds
31
Polar Surface Area
91.85
LOGP Value
4.26 (
Computed with XLOGP3
)
3.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
Ic1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)O
InChI String
InChI=1S/C13H10INO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)
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):
P0AEG4
Entrez Gene ID
NCBI Entrez Gene ID:
61755786
948353
ASD
Information of known allosteric effects of PDB entries
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