Browse entries in the PDBbind-CN Database
HEADER 4URN_COMPLEX COMPND 4URN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 84 LEU GLU GLY LEU GLU ALA VAL ARG LYS ARG PRO GLY MET SEQRES 2 A 84 TYR ILE GLY SER THR ASP LYS ARG GLY LEU HIS HIS LEU SEQRES 3 A 84 VAL TYR GLU ILE VAL ASP ASN SER VAL ASP GLU VAL LEU SEQRES 4 A 84 ASN GLY TYR GLY ASN GLU ILE ASP VAL THR ILE ASN LYS SEQRES 5 A 84 ASP GLY SER ILE SER ILE GLU ASP ASN GLY ARG GLY MET SEQRES 6 A 84 PRO THR GLY ILE HIS LYS SER GLY LYS PRO THR VAL GLU SEQRES 7 A 84 VAL ILE PHE THR VAL LEU SEQRES 1 A 104 VAL GLY ALA SER VAL VAL ASN ALA LEU SER GLU TRP LEU SEQRES 2 A 104 GLU VAL GLU ILE HIS ARG ASP GLY ASN ILE TYR HIS GLN SEQRES 3 A 104 SER PHE LYS ASN GLY GLY SER PRO SER SER GLY LEU VAL SEQRES 4 A 104 LYS LYS GLY LYS THR LYS LYS THR GLY THR LYS VAL THR SEQRES 5 A 104 PHE LYS PRO ASP ASP THR ILE PHE LYS ALA SER THR SER SEQRES 6 A 104 PHE ASN PHE ASP VAL LEU SER GLU ARG LEU GLN GLU SER SEQRES 7 A 104 ALA PHE LEU LEU LYS ASN LEU LYS ILE THR LEU ASN ASP SEQRES 8 A 104 LEU ARG SER GLY LYS GLU ARG GLN GLU HIS TYR HIS TYR HET NOV A 209 80 ATOM 1 N LEU A 17 -41.262 6.001 16.408 1.00 73.08 N ATOM 2 CA LEU A 17 -42.358 6.111 17.359 1.00 72.41 C ATOM 3 C LEU A 17 -42.206 5.017 18.450 1.00 76.20 C ATOM 4 O LEU A 17 -41.199 4.978 19.163 1.00 75.54 O ATOM 5 CB LEU A 17 -43.704 5.956 16.601 1.00 72.06 C ATOM 6 CG LEU A 17 -44.838 6.954 16.908 1.00 75.82 C ATOM 7 CD1 LEU A 17 -46.065 6.631 16.089 1.00 75.67 C ATOM 8 CD2 LEU A 17 -45.201 6.999 18.397 1.00 75.77 C ATOM 9 HN3 LEU A 17 -41.283 5.061 15.963 1.00 0.00 H ATOM 10 HN2 LEU A 17 -40.358 6.130 16.906 1.00 0.00 H ATOM 11 HN1 LEU A 17 -41.364 6.734 15.677 1.00 0.00 H ATOM 12 N GLU A 18 -43.225 4.143 18.570 1.00 71.89 N ATOM 13 CA GLU A 18 -43.294 3.005 19.480 1.00 70.18 C ATOM 14 C GLU A 18 -42.984 1.755 18.631 1.00 70.43 C ATOM 15 O GLU A 18 -42.847 0.655 19.174 1.00 70.41 O ATOM 16 CB GLU A 18 -44.691 2.916 20.125 1.00 71.31 C ATOM 17 H GLU A 18 -44.046 4.296 17.950 1.00 0.00 H ATOM 18 N GLY A 19 -42.861 1.968 17.310 1.00 62.91 N ATOM 19 CA GLY A 19 -42.540 0.963 16.301 1.00 60.85 C ATOM 20 C GLY A 19 -41.165 0.361 16.505 1.00 60.58 C ATOM 21 O GLY A 19 -40.972 -0.827 16.266 1.00 59.00 O ATOM 22 H GLY A 19 -43.008 2.941 16.975 1.00 0.00 H ATOM 23 N LEU A 20 -40.208 1.176 16.974 1.00 56.93 N ATOM 24 CA LEU A 20 -38.842 0.737 17.273 1.00 57.05 C ATOM 25 C LEU A 20 -38.870 -0.120 18.556 1.00 60.45 C ATOM 26 O LEU A 20 -38.107 -1.089 18.661 1.00 59.13 O ATOM 27 CB LEU A 20 -37.861 1.931 17.411 1.00 56.98 C ATOM 28 CG LEU A 20 -37.554 2.760 16.136 1.00 62.00 C ATOM 29 CD1 LEU A 20 -36.879 4.065 16.491 1.00 63.11 C ATOM 30 CD2 LEU A 20 -36.654 1.998 15.153 1.00 62.08 C ATOM 31 H LEU A 20 -40.449 2.175 17.134 1.00 0.00 H ATOM 32 N GLU A 21 -39.767 0.230 19.522 1.00 56.80 N ATOM 33 CA GLU A 21 -39.932 -0.528 20.768 1.00 56.31 C ATOM 34 C GLU A 21 -40.576 -1.873 20.436 1.00 57.84 C ATOM 35 O GLU A 21 -40.184 -2.885 21.011 1.00 57.01 O ATOM 36 CB GLU A 21 -40.785 0.229 21.804 1.00 57.81 C ATOM 37 CG GLU A 21 -39.977 1.114 22.737 1.00 69.75 C ATOM 38 CD GLU A 21 -40.522 1.207 24.151 1.00 99.41 C ATOM 39 OE1 GLU A 21 -41.357 2.104 24.414 1.00 83.29 O ATOM 40 OE2 GLU A 21 -40.111 0.383 25.000 1.00111.63 O ATOM 41 H GLU A 21 -40.360 1.071 19.369 1.00 0.00 H ATOM 42 N ALA A 22 -41.540 -1.882 19.484 1.00 53.37 N ATOM 43 CA ALA A 22 -42.248 -3.087 19.044 1.00 53.04 C ATOM 44 C ALA A 22 -41.254 -4.129 18.538 1.00 60.08 C ATOM 45 O ALA A 22 -41.360 -5.294 18.931 1.00 62.63 O ATOM 46 CB ALA A 22 -43.281 -2.753 17.976 1.00 53.11 C ATOM 47 H ALA A 22 -41.793 -0.977 19.038 1.00 0.00 H ATOM 48 N VAL A 23 -40.256 -3.702 17.721 1.00 54.37 N ATOM 49 CA VAL A 23 -39.200 -4.570 17.182 1.00 53.13 C ATOM 50 C VAL A 23 -38.388 -5.123 18.358 1.00 54.98 C ATOM 51 O VAL A 23 -38.151 -6.320 18.412 1.00 54.78 O ATOM 52 CB VAL A 23 -38.341 -3.862 16.079 1.00 56.44 C ATOM 53 CG1 VAL A 23 -37.158 -4.720 15.634 1.00 56.10 C ATOM 54 CG2 VAL A 23 -39.206 -3.480 14.871 1.00 55.56 C ATOM 55 H VAL A 23 -40.238 -2.695 17.460 1.00 0.00 H ATOM 56 N ARG A 24 -38.008 -4.255 19.307 1.00 51.00 N ATOM 57 CA ARG A 24 -37.248 -4.617 20.508 1.00 51.02 C ATOM 58 C ARG A 24 -37.979 -5.648 21.410 1.00 55.93 C ATOM 59 O ARG A 24 -37.321 -6.347 22.190 1.00 55.82 O ATOM 60 CB ARG A 24 -36.896 -3.358 21.327 1.00 51.34 C ATOM 61 CG ARG A 24 -35.680 -2.580 20.833 1.00 57.73 C ATOM 62 CD ARG A 24 -35.440 -1.319 21.654 1.00 59.25 C ATOM 63 NE ARG A 24 -35.732 -0.102 20.889 1.00 64.47 N ATOM 64 CZ ARG A 24 -35.953 1.101 21.417 1.00 74.49 C ATOM 65 NH1 ARG A 24 -35.924 1.274 22.735 1.00 59.04 N ATOM 66 NH2 ARG A 24 -36.213 2.138 20.631 1.00 56.84 N ATOM 67 HE ARG A 24 -35.769 -0.185 19.853 1.00 0.00 H ATOM 68 HH12 ARG A 24 -36.098 2.216 23.140 1.00 0.00 H ATOM 69 HH11 ARG A 24 -35.728 0.467 23.361 1.00 0.00 H ATOM 70 HH22 ARG A 24 -36.385 3.076 21.047 1.00 0.00 H ATOM 71 HH21 ARG A 24 -36.245 2.013 19.599 1.00 0.00 H ATOM 72 H ARG A 24 -38.270 -3.256 19.183 1.00 0.00 H ATOM 73 N LYS A 25 -39.339 -5.737 21.311 1.00 53.23 N ATOM 74 CA LYS A 25 -40.196 -6.643 22.101 1.00 53.67 C ATOM 75 C LYS A 25 -40.337 -8.042 21.460 1.00 56.64 C ATOM 76 O LYS A 25 -40.220 -9.058 22.154 1.00 54.92 O ATOM 77 CB LYS A 25 -41.595 -6.017 22.331 1.00 57.38 C ATOM 78 CG LYS A 25 -41.634 -4.899 23.376 1.00 69.21 C ATOM 79 CD LYS A 25 -42.762 -3.923 23.063 1.00 78.71 C ATOM 80 CE LYS A 25 -42.999 -2.949 24.187 1.00 92.32 C ATOM 81 NZ LYS A 25 -44.041 -1.948 23.836 1.00 99.63 N ATOM 82 HZ1 LYS A 25 -43.738 -1.413 22.997 1.00 0.00 H ATOM 83 HZ2 LYS A 25 -44.936 -2.438 23.632 1.00 0.00 H ATOM 84 HZ3 LYS A 25 -44.176 -1.295 24.634 1.00 0.00 H ATOM 85 H LYS A 25 -39.809 -5.115 20.622 1.00 0.00 H ATOM 86 N ARG A 26 -40.591 -8.079 20.134 1.00 52.65 N ATOM 87 CA ARG A 26 -40.725 -9.300 19.342 1.00 51.53 C ATOM 88 C ARG A 26 -39.733 -9.229 18.151 1.00 52.27 C ATOM 89 O ARG A 26 -40.178 -9.075 17.008 1.00 50.88 O ATOM 90 CB ARG A 26 -42.174 -9.472 18.861 1.00 53.15 C ATOM 91 H ARG A 26 -40.699 -7.171 19.639 1.00 0.00 H ATOM 92 N PRO A 27 -38.396 -9.341 18.383 1.00 47.45 N ATOM 93 CA PRO A 27 -37.450 -9.248 17.252 1.00 48.10 C ATOM 94 C PRO A 27 -37.640 -10.315 16.192 1.00 54.26 C ATOM 95 O PRO A 27 -37.543 -9.996 15.006 1.00 54.03 O ATOM 96 CB PRO A 27 -36.068 -9.306 17.920 1.00 49.62 C ATOM 97 CG PRO A 27 -36.311 -8.996 19.363 1.00 52.70 C ATOM 98 CD PRO A 27 -37.674 -9.525 19.659 1.00 47.95 C ATOM 99 N GLY A 28 -37.968 -11.540 16.634 1.00 51.64 N ATOM 100 CA GLY A 28 -38.211 -12.709 15.788 1.00 51.05 C ATOM 101 C GLY A 28 -39.272 -12.502 14.728 1.00 55.17 C ATOM 102 O GLY A 28 -39.195 -13.098 13.656 1.00 53.53 O ATOM 103 H GLY A 28 -38.057 -11.668 17.662 1.00 0.00 H ATOM 104 N MET A 29 -40.257 -11.636 15.019 1.00 55.12 N ATOM 105 CA MET A 29 -41.367 -11.252 14.135 1.00 56.47 C ATOM 106 C MET A 29 -40.846 -10.452 12.917 1.00 61.06 C ATOM 107 O MET A 29 -41.423 -10.521 11.828 1.00 61.60 O ATOM 108 CB MET A 29 -42.353 -10.379 14.933 1.00 59.44 C ATOM 109 CG MET A 29 -43.778 -10.400 14.412 1.00 64.11 C ATOM 110 SD MET A 29 -44.913 -9.633 15.604 1.00 69.18 S ATOM 111 CE MET A 29 -45.057 -10.956 16.816 1.00 65.87 C ATOM 112 H MET A 29 -40.232 -11.195 15.960 1.00 0.00 H ATOM 113 N TYR A 30 -39.760 -9.695 13.110 1.00 56.42 N ATOM 114 CA TYR A 30 -39.169 -8.868 12.057 1.00 55.41 C ATOM 115 C TYR A 30 -37.964 -9.561 11.440 1.00 56.63 C ATOM 116 O TYR A 30 -37.924 -9.742 10.222 1.00 55.22 O ATOM 117 CB TYR A 30 -38.883 -7.449 12.582 1.00 56.22 C ATOM 118 CG TYR A 30 -40.138 -6.807 13.139 1.00 57.71 C ATOM 119 CD1 TYR A 30 -41.074 -6.211 12.295 1.00 59.25 C ATOM 120 CD2 TYR A 30 -40.423 -6.852 14.502 1.00 58.56 C ATOM 121 CE1 TYR A 30 -42.245 -5.646 12.797 1.00 58.63 C ATOM 122 CE2 TYR A 30 -41.588 -6.283 15.016 1.00 60.13 C ATOM 123 CZ TYR A 30 -42.497 -5.683 14.159 1.00 69.34 C ATOM 124 OH TYR A 30 -43.643 -5.116 14.665 1.00 74.91 O ATOM 125 HH TYR A 30 -44.177 -4.735 13.923 1.00 0.00 H ATOM 126 H TYR A 30 -39.316 -9.694 14.050 1.00 0.00 H ATOM 127 N ILE A 31 -37.014 -10.020 12.270 1.00 52.19 N ATOM 128 CA ILE A 31 -35.883 -10.774 11.724 1.00 51.92 C ATOM 129 C ILE A 31 -36.391 -12.223 11.550 1.00 60.41 C ATOM 130 O ILE A 31 -37.601 -12.442 11.624 1.00 62.93 O ATOM 131 CB ILE A 31 -34.533 -10.569 12.481 1.00 53.28 C ATOM 132 CG1 ILE A 31 -34.650 -10.782 14.007 1.00 52.25 C ATOM 133 CG2 ILE A 31 -33.979 -9.187 12.152 1.00 53.06 C ATOM 134 CD1 ILE A 31 -33.298 -10.562 14.838 1.00 51.10 C ATOM 135 H ILE A 31 -37.080 -9.842 13.292 1.00 0.00 H ATOM 136 N GLY A 32 -35.552 -13.191 11.274 1.00 56.89 N ATOM 137 CA GLY A 32 -36.129 -14.525 11.138 1.00 57.27 C ATOM 138 C GLY A 32 -36.358 -15.201 12.485 1.00 60.22 C ATOM 139 O GLY A 32 -37.389 -15.842 12.713 1.00 60.75 O ATOM 140 H GLY A 32 -34.533 -13.019 11.158 1.00 0.00 H ATOM 141 N SER A 33 -35.383 -15.037 13.390 1.00 52.89 N ATOM 142 CA SER A 33 -35.328 -15.639 14.709 1.00 50.84 C ATOM 143 C SER A 33 -34.500 -14.769 15.666 1.00 51.98 C ATOM 144 O SER A 33 -33.782 -13.871 15.227 1.00 50.38 O ATOM 145 CB SER A 33 -34.670 -17.012 14.579 1.00 52.89 C ATOM 146 OG SER A 33 -33.492 -16.923 13.792 1.00 56.28 O ATOM 147 HG SER A 33 -32.855 -16.299 14.222 1.00 0.00 H ATOM 148 H SER A 33 -34.591 -14.420 13.121 1.00 0.00 H ATOM 149 N THR A 34 -34.579 -15.041 16.966 1.00 48.25 N ATOM 150 CA THR A 34 -33.798 -14.256 17.927 1.00 48.55 C ATOM 151 C THR A 34 -32.585 -15.060 18.376 1.00 51.87 C ATOM 152 O THR A 34 -32.379 -15.280 19.573 1.00 54.76 O ATOM 153 CB THR A 34 -34.683 -13.709 19.074 1.00 60.44 C ATOM 154 OG1 THR A 34 -35.980 -13.362 18.566 1.00 58.15 O ATOM 155 CG2 THR A 34 -34.048 -12.504 19.770 1.00 61.01 C ATOM 156 HG1 THR A 34 -36.540 -13.013 19.304 1.00 0.00 H ATOM 157 H THR A 34 -35.194 -15.810 17.300 1.00 0.00 H ATOM 158 N ASP A 35 -31.783 -15.506 17.408 1.00 45.52 N ATOM 159 CA ASP A 35 -30.573 -16.304 17.653 1.00 44.26 C ATOM 160 C ASP A 35 -29.415 -15.816 16.751 1.00 46.49 C ATOM 161 O ASP A 35 -29.562 -14.758 16.129 1.00 46.73 O ATOM 162 CB ASP A 35 -30.903 -17.800 17.436 1.00 45.60 C ATOM 163 CG ASP A 35 -31.526 -18.162 16.097 1.00 48.47 C ATOM 164 OD1 ASP A 35 -31.343 -17.399 15.132 1.00 50.86 O ATOM 165 OD2 ASP A 35 -32.161 -19.226 16.010 1.00 48.26 O ATOM 166 H ASP A 35 -32.028 -15.276 16.424 1.00 0.00 H ATOM 167 N LYS A 36 -28.287 -16.578 16.664 1.00 41.08 N ATOM 168 CA LYS A 36 -27.123 -16.234 15.834 1.00 40.41 C ATOM 169 C LYS A 36 -27.494 -16.059 14.350 1.00 43.63 C ATOM 170 O LYS A 36 -26.898 -15.222 13.697 1.00 42.17 O ATOM 171 CB LYS A 36 -25.956 -17.217 16.006 1.00 42.70 C ATOM 172 H LYS A 36 -28.248 -17.457 17.219 1.00 0.00 H ATOM 173 N ARG A 37 -28.511 -16.792 13.850 1.00 40.25 N ATOM 174 CA ARG A 37 -28.994 -16.667 12.478 1.00 40.09 C ATOM 175 C ARG A 37 -29.653 -15.276 12.269 1.00 42.69 C ATOM 176 O ARG A 37 -29.463 -14.663 11.204 1.00 42.72 O ATOM 177 CB ARG A 37 -29.958 -17.815 12.122 1.00 41.45 C ATOM 178 H ARG A 37 -28.975 -17.482 14.475 1.00 0.00 H ATOM 179 N GLY A 38 -30.372 -14.790 13.297 1.00 37.00 N ATOM 180 CA GLY A 38 -31.018 -13.478 13.305 1.00 36.76 C ATOM 181 C GLY A 38 -29.976 -12.367 13.348 1.00 40.37 C ATOM 182 O GLY A 38 -30.032 -11.424 12.551 1.00 39.37 O ATOM 183 H GLY A 38 -30.475 -15.387 14.142 1.00 0.00 H ATOM 184 N LEU A 39 -28.974 -12.514 14.241 1.00 36.10 N ATOM 185 CA LEU A 39 -27.860 -11.580 14.396 1.00 35.73 C ATOM 186 C LEU A 39 -27.131 -11.357 13.062 1.00 37.51 C ATOM 187 O LEU A 39 -26.784 -10.224 12.739 1.00 36.41 O ATOM 188 CB LEU A 39 -26.866 -12.098 15.441 1.00 36.28 C ATOM 189 CG LEU A 39 -25.658 -11.197 15.721 1.00 41.81 C ATOM 190 CD1 LEU A 39 -26.013 -10.167 16.767 1.00 42.30 C ATOM 191 CD2 LEU A 39 -24.482 -12.001 16.204 1.00 42.47 C ATOM 192 H LEU A 39 -28.996 -13.349 14.861 1.00 0.00 H ATOM 193 N HIS A 40 -26.909 -12.424 12.306 1.00 35.03 N ATOM 194 CA HIS A 40 -26.223 -12.358 11.016 1.00 35.98 C ATOM 195 C HIS A 40 -27.140 -11.826 9.925 1.00 40.86 C ATOM 196 O HIS A 40 -26.639 -11.282 8.952 1.00 41.55 O ATOM 197 CB HIS A 40 -25.566 -13.704 10.660 1.00 36.71 C ATOM 198 CG HIS A 40 -24.394 -14.016 11.541 1.00 41.12 C ATOM 199 ND1 HIS A 40 -23.088 -13.842 11.093 1.00 43.65 N ATOM 200 CD2 HIS A 40 -24.357 -14.444 12.825 1.00 43.02 C ATOM 201 CE1 HIS A 40 -22.308 -14.168 12.110 1.00 43.07 C ATOM 202 NE2 HIS A 40 -23.020 -14.542 13.174 1.00 43.57 N ATOM 203 H HIS A 40 -27.238 -13.350 12.646 1.00 0.00 H ATOM 204 N HIS A 41 -28.479 -11.946 10.100 1.00 39.89 N ATOM 205 CA HIS A 41 -29.479 -11.427 9.165 1.00 41.23 C ATOM 206 C HIS A 41 -29.503 -9.882 9.246 1.00 41.39 C ATOM 207 O HIS A 41 -29.858 -9.241 8.259 1.00 41.77 O ATOM 208 CB HIS A 41 -30.873 -12.048 9.387 1.00 44.94 C ATOM 209 CG HIS A 41 -31.151 -13.282 8.571 1.00 51.03 C ATOM 210 ND1 HIS A 41 -31.661 -14.443 9.157 1.00 54.14 N ATOM 211 CD2 HIS A 41 -31.002 -13.497 7.235 1.00 54.34 C ATOM 212 CE1 HIS A 41 -31.799 -15.315 8.167 1.00 54.18 C ATOM 213 NE2 HIS A 41 -31.406 -14.795 6.992 1.00 54.52 N ATOM 214 H HIS A 41 -28.817 -12.438 10.952 1.00 0.00 H ATOM 215 N LEU A 42 -29.070 -9.288 10.396 1.00 34.30 N ATOM 216 CA LEU A 42 -28.939 -7.831 10.563 1.00 33.63 C ATOM 217 C LEU A 42 -27.888 -7.315 9.546 1.00 38.06 C ATOM 218 O LEU A 42 -28.105 -6.289 8.893 1.00 38.60 O ATOM 219 CB LEU A 42 -28.485 -7.442 11.992 1.00 33.48 C ATOM 220 CG LEU A 42 -29.368 -7.822 13.202 1.00 36.25 C ATOM 221 CD1 LEU A 42 -28.794 -7.262 14.452 1.00 34.82 C ATOM 222 CD2 LEU A 42 -30.802 -7.359 13.038 1.00 37.15 C ATOM 223 H LEU A 42 -28.818 -9.899 11.199 1.00 0.00 H ATOM 224 N VAL A 43 -26.772 -8.055 9.398 1.00 33.54 N ATOM 225 CA VAL A 43 -25.692 -7.726 8.467 1.00 33.11 C ATOM 226 C VAL A 43 -26.160 -7.844 7.010 1.00 37.71 C ATOM 227 O VAL A 43 -25.908 -6.944 6.205 1.00 35.74 O ATOM 228 CB VAL A 43 -24.447 -8.603 8.717 1.00 35.29 C ATOM 229 CG1 VAL A 43 -23.327 -8.273 7.730 1.00 34.31 C ATOM 230 CG2 VAL A 43 -23.970 -8.460 10.148 1.00 34.77 C ATOM 231 H VAL A 43 -26.672 -8.911 9.980 1.00 0.00 H ATOM 232 N TYR A 44 -26.851 -8.952 6.694 1.00 37.64 N ATOM 233 CA TYR A 44 -27.376 -9.263 5.358 1.00 37.78 C ATOM 234 C TYR A 44 -28.382 -8.228 4.935 1.00 40.80 C ATOM 235 O TYR A 44 -28.465 -7.937 3.744 1.00 40.04 O ATOM 236 CB TYR A 44 -27.969 -10.691 5.273 1.00 39.57 C ATOM 237 CG TYR A 44 -27.079 -11.804 5.797 1.00 42.03 C ATOM 238 CD1 TYR A 44 -25.689 -11.706 5.731 1.00 44.29 C ATOM 239 CD2 TYR A 44 -27.625 -12.988 6.291 1.00 43.22 C ATOM 240 CE1 TYR A 44 -24.864 -12.722 6.221 1.00 44.12 C ATOM 241 CE2 TYR A 44 -26.806 -14.025 6.757 1.00 44.32 C ATOM 242 CZ TYR A 44 -25.426 -13.885 6.712 1.00 50.35 C ATOM 243 OH TYR A 44 -24.601 -14.881 7.159 1.00 53.02 O ATOM 244 HH TYR A 44 -23.658 -14.602 7.048 1.00 0.00 H ATOM 245 H TYR A 44 -27.027 -9.641 7.452 1.00 0.00 H ATOM 246 N GLU A 45 -29.127 -7.645 5.903 1.00 37.43 N ATOM 247 CA GLU A 45 -30.102 -6.592 5.589 1.00 38.27 C ATOM 248 C GLU A 45 -29.354 -5.353 5.096 1.00 41.75 C ATOM 249 O GLU A 45 -29.746 -4.773 4.082 1.00 42.85 O ATOM 250 CB GLU A 45 -31.009 -6.254 6.798 1.00 39.86 C ATOM 251 CG GLU A 45 -31.920 -5.046 6.601 1.00 54.26 C ATOM 252 CD GLU A 45 -32.821 -5.006 5.374 1.00 79.27 C ATOM 253 OE1 GLU A 45 -33.338 -6.071 4.960 1.00 68.77 O ATOM 254 OE2 GLU A 45 -33.017 -3.894 4.831 1.00 73.96 O ATOM 255 H GLU A 45 -29.007 -7.949 6.890 1.00 0.00 H ATOM 256 N ILE A 46 -28.246 -4.988 5.777 1.00 35.55 N ATOM 257 CA ILE A 46 -27.459 -3.817 5.385 1.00 34.52 C ATOM 258 C ILE A 46 -26.743 -4.051 4.014 1.00 38.66 C ATOM 259 O ILE A 46 -26.743 -3.137 3.190 1.00 39.90 O ATOM 260 CB ILE A 46 -26.526 -3.322 6.518 1.00 36.29 C ATOM 261 CG1 ILE A 46 -27.335 -3.078 7.838 1.00 35.54 C ATOM 262 CG2 ILE A 46 -25.772 -2.055 6.090 1.00 34.76 C ATOM 263 CD1 ILE A 46 -28.489 -1.918 7.793 1.00 34.63 C ATOM 264 H ILE A 46 -27.945 -5.551 6.598 1.00 0.00 H ATOM 265 N VAL A 47 -26.198 -5.261 3.773 1.00 34.34 N ATOM 266 CA VAL A 47 -25.542 -5.673 2.526 1.00 33.67 C ATOM 267 C VAL A 47 -26.579 -5.626 1.407 1.00 39.36 C ATOM 268 O VAL A 47 -26.264 -5.125 0.338 1.00 41.01 O ATOM 269 CB VAL A 47 -24.847 -7.060 2.646 1.00 37.32 C ATOM 270 CG1 VAL A 47 -24.302 -7.544 1.284 1.00 36.51 C ATOM 271 CG2 VAL A 47 -23.715 -7.023 3.688 1.00 36.79 C ATOM 272 H VAL A 47 -26.247 -5.964 4.538 1.00 0.00 H ATOM 273 N ASP A 48 -27.837 -6.076 1.670 1.00 37.93 N ATOM 274 CA ASP A 48 -28.940 -6.031 0.691 1.00 38.15 C ATOM 275 C ASP A 48 -29.246 -4.608 0.233 1.00 40.39 C ATOM 276 O ASP A 48 -29.567 -4.416 -0.942 1.00 39.41 O ATOM 277 CB ASP A 48 -30.207 -6.739 1.188 1.00 40.49 C ATOM 278 CG ASP A 48 -30.085 -8.261 1.294 1.00 59.34 C ATOM 279 OD1 ASP A 48 -29.208 -8.843 0.607 1.00 59.62 O ATOM 280 OD2 ASP A 48 -30.859 -8.870 2.082 1.00 70.68 O ATOM 281 H ASP A 48 -28.031 -6.473 2.612 1.00 0.00 H ATOM 282 N ASN A 49 -29.115 -3.608 1.143 1.00 36.93 N ATOM 283 CA ASN A 49 -29.311 -2.194 0.782 1.00 37.31 C ATOM 284 C ASN A 49 -28.217 -1.751 -0.232 1.00 42.01 C ATOM 285 O ASN A 49 -28.558 -1.095 -1.213 1.00 43.69 O ATOM 286 CB ASN A 49 -29.375 -1.311 2.017 1.00 40.20 C ATOM 287 CG ASN A 49 -30.699 -1.448 2.747 1.00 65.78 C ATOM 288 OD1 ASN A 49 -31.772 -1.323 2.164 1.00 56.47 O ATOM 289 ND2 ASN A 49 -30.659 -1.710 4.038 1.00 61.62 N ATOM 290 HD22 ASN A 49 -29.743 -1.813 4.519 1.00 0.00 H ATOM 291 HD21 ASN A 49 -31.543 -1.813 4.575 1.00 0.00 H ATOM 292 H ASN A 49 -28.869 -3.848 2.124 1.00 0.00 H ATOM 293 N SER A 50 -26.943 -2.196 -0.049 1.00 35.91 N ATOM 294 CA SER A 50 -25.837 -1.908 -0.969 1.00 36.06 C ATOM 295 C SER A 50 -26.020 -2.667 -2.288 1.00 43.35 C ATOM 296 O SER A 50 -25.650 -2.138 -3.331 1.00 42.47 O ATOM 297 CB SER A 50 -24.496 -2.290 -0.353 1.00 38.60 C ATOM 298 OG SER A 50 -24.285 -1.612 0.872 1.00 46.10 O ATOM 299 HG SER A 50 -24.294 -0.635 0.713 1.00 0.00 H ATOM 300 H SER A 50 -26.742 -2.774 0.792 1.00 0.00 H ATOM 301 N VAL A 51 -26.591 -3.913 -2.246 1.00 42.67 N ATOM 302 CA VAL A 51 -26.840 -4.720 -3.450 1.00 42.49 C ATOM 303 C VAL A 51 -27.925 -4.038 -4.297 1.00 46.93 C ATOM 304 O VAL A 51 -27.781 -3.970 -5.527 1.00 46.33 O ATOM 305 CB VAL A 51 -27.094 -6.227 -3.146 1.00 45.90 C ATOM 306 CG1 VAL A 51 -27.947 -6.910 -4.220 1.00 44.96 C ATOM 307 CG2 VAL A 51 -25.771 -6.967 -2.959 1.00 45.42 C ATOM 308 H VAL A 51 -26.860 -4.305 -1.321 1.00 0.00 H ATOM 309 N ASP A 52 -28.974 -3.488 -3.628 1.00 44.34 N ATOM 310 CA ASP A 52 -30.079 -2.762 -4.279 1.00 45.07 C ATOM 311 C ASP A 52 -29.497 -1.620 -5.151 1.00 48.64 C ATOM 312 O ASP A 52 -29.873 -1.478 -6.318 1.00 46.67 O ATOM 313 CB ASP A 52 -31.041 -2.175 -3.238 1.00 46.94 C ATOM 314 CG ASP A 52 -32.171 -3.075 -2.783 1.00 61.36 C ATOM 315 OD1 ASP A 52 -32.737 -3.789 -3.631 1.00 62.00 O ATOM 316 OD2 ASP A 52 -32.506 -3.045 -1.572 1.00 70.71 O ATOM 317 H ASP A 52 -28.998 -3.586 -2.593 1.00 0.00 H ATOM 318 N GLU A 53 -28.548 -0.849 -4.566 1.00 45.17 N ATOM 319 CA GLU A 53 -27.836 0.245 -5.205 1.00 44.62 C ATOM 320 C GLU A 53 -26.939 -0.255 -6.348 1.00 49.21 C ATOM 321 O GLU A 53 -26.874 0.412 -7.381 1.00 49.65 O ATOM 322 CB GLU A 53 -27.073 1.095 -4.166 1.00 45.37 C ATOM 323 CG GLU A 53 -26.440 2.384 -4.692 1.00 48.28 C ATOM 324 CD GLU A 53 -27.247 3.403 -5.486 1.00 61.15 C ATOM 325 OE1 GLU A 53 -28.439 3.165 -5.792 1.00 53.58 O ATOM 326 OE2 GLU A 53 -26.666 4.463 -5.804 1.00 50.24 O ATOM 327 H GLU A 53 -28.309 -1.058 -3.576 1.00 0.00 H ATOM 328 N VAL A 54 -26.281 -1.421 -6.190 1.00 45.62 N ATOM 329 CA VAL A 54 -25.449 -2.009 -7.257 1.00 46.45 C ATOM 330 C VAL A 54 -26.388 -2.307 -8.463 1.00 53.39 C ATOM 331 O VAL A 54 -26.099 -1.921 -9.600 1.00 52.87 O ATOM 332 CB VAL A 54 -24.627 -3.245 -6.756 1.00 49.88 C ATOM 333 CG1 VAL A 54 -24.158 -4.146 -7.903 1.00 48.92 C ATOM 334 CG2 VAL A 54 -23.439 -2.797 -5.915 1.00 49.80 C ATOM 335 H VAL A 54 -26.363 -1.924 -5.283 1.00 0.00 H ATOM 336 N LEU A 55 -27.540 -2.932 -8.178 1.00 52.48 N ATOM 337 CA LEU A 55 -28.563 -3.249 -9.176 1.00 52.52 C ATOM 338 C LEU A 55 -29.213 -1.987 -9.775 1.00 58.05 C ATOM 339 O LEU A 55 -29.591 -2.014 -10.956 1.00 59.44 O ATOM 340 CB LEU A 55 -29.598 -4.218 -8.609 1.00 51.87 C ATOM 341 CG LEU A 55 -29.091 -5.648 -8.400 1.00 55.76 C ATOM 342 CD1 LEU A 55 -30.051 -6.449 -7.510 1.00 55.30 C ATOM 343 CD2 LEU A 55 -28.811 -6.356 -9.743 1.00 55.89 C ATOM 344 H LEU A 55 -27.717 -3.207 -7.191 1.00 0.00 H ATOM 345 N ASN A 56 -29.291 -0.871 -8.988 1.00 52.96 N ATOM 346 CA ASN A 56 -29.813 0.434 -9.437 1.00 51.81 C ATOM 347 C ASN A 56 -28.898 0.986 -10.556 1.00 54.74 C ATOM 348 O ASN A 56 -29.344 1.820 -11.338 1.00 54.98 O ATOM 349 CB ASN A 56 -29.904 1.449 -8.275 1.00 50.90 C ATOM 350 CG ASN A 56 -31.160 1.413 -7.409 1.00 61.76 C ATOM 351 OD1 ASN A 56 -31.212 1.980 -6.315 1.00 55.98 O ATOM 352 ND2 ASN A 56 -32.206 0.768 -7.856 1.00 48.80 N ATOM 353 HD22 ASN A 56 -32.166 0.289 -8.778 1.00 0.00 H ATOM 354 HD21 ASN A 56 -33.078 0.735 -7.289 1.00 0.00 H ATOM 355 H ASN A 56 -28.959 -0.948 -8.005 1.00 0.00 H ATOM 356 N GLY A 57 -27.644 0.497 -10.608 1.00 49.54 N ATOM 357 CA GLY A 57 -26.631 0.815 -11.611 1.00 48.22 C ATOM 358 C GLY A 57 -25.379 1.484 -11.083 1.00 50.67 C ATOM 359 O GLY A 57 -24.494 1.853 -11.858 1.00 51.38 O ATOM 360 H GLY A 57 -27.370 -0.173 -9.861 1.00 0.00 H ATOM 361 N TYR A 58 -25.290 1.648 -9.770 1.00 45.16 N ATOM 362 CA TYR A 58 -24.171 2.359 -9.161 1.00 44.08 C ATOM 363 C TYR A 58 -23.495 1.553 -8.107 1.00 46.54 C ATOM 364 O TYR A 58 -24.145 1.066 -7.194 1.00 45.94 O ATOM 365 CB TYR A 58 -24.658 3.715 -8.591 1.00 45.25 C ATOM 366 CG TYR A 58 -25.449 4.517 -9.601 1.00 47.13 C ATOM 367 CD1 TYR A 58 -26.823 4.354 -9.725 1.00 48.23 C ATOM 368 CD2 TYR A 58 -24.815 5.401 -10.473 1.00 49.38 C ATOM 369 CE1 TYR A 58 -27.552 5.066 -10.676 1.00 49.73 C ATOM 370 CE2 TYR A 58 -25.533 6.113 -11.431 1.00 48.85 C ATOM 371 CZ TYR A 58 -26.901 5.941 -11.529 1.00 56.16 C ATOM 372 OH TYR A 58 -27.620 6.651 -12.457 1.00 64.06 O ATOM 373 HH TYR A 58 -28.577 6.406 -12.389 1.00 0.00 H ATOM 374 H TYR A 58 -26.037 1.260 -9.159 1.00 0.00 H ATOM 375 N GLY A 59 -22.188 1.423 -8.250 1.00 43.34 N ATOM 376 CA GLY A 59 -21.342 0.676 -7.333 1.00 42.64 C ATOM 377 C GLY A 59 -20.878 -0.654 -7.881 1.00 44.79 C ATOM 378 O GLY A 59 -21.570 -1.261 -8.695 1.00 46.03 O ATOM 379 H GLY A 59 -21.737 1.882 -9.067 1.00 0.00 H ATOM 380 N ASN A 60 -19.696 -1.105 -7.447 1.00 39.45 N ATOM 381 CA ASN A 60 -19.105 -2.382 -7.837 1.00 38.87 C ATOM 382 C ASN A 60 -18.221 -2.956 -6.723 1.00 41.66 C ATOM 383 O ASN A 60 -17.407 -3.849 -6.973 1.00 42.51 O ATOM 384 CB ASN A 60 -18.338 -2.267 -9.177 1.00 37.94 C ATOM 385 CG ASN A 60 -17.104 -1.390 -9.184 1.00 53.25 C ATOM 386 OD1 ASN A 60 -16.682 -0.828 -8.174 1.00 38.21 O ATOM 387 ND2 ASN A 60 -16.497 -1.240 -10.355 1.00 53.40 N ATOM 388 HD22 ASN A 60 -16.868 -1.723 -11.198 1.00 0.00 H ATOM 389 HD21 ASN A 60 -15.651 -0.640 -10.429 1.00 0.00 H ATOM 390 H ASN A 60 -19.161 -0.505 -6.787 1.00 0.00 H ATOM 391 N GLU A 61 -18.347 -2.421 -5.509 1.00 36.75 N ATOM 392 CA GLU A 61 -17.525 -2.867 -4.392 1.00 37.94 C ATOM 393 C GLU A 61 -18.267 -2.754 -3.082 1.00 40.84 C ATOM 394 O GLU A 61 -18.853 -1.719 -2.791 1.00 38.82 O ATOM 395 CB GLU A 61 -16.213 -2.034 -4.291 1.00 39.45 C ATOM 396 CG GLU A 61 -15.061 -2.503 -5.168 1.00 51.20 C ATOM 397 CD GLU A 61 -13.850 -1.583 -5.303 1.00 68.93 C ATOM 398 OE1 GLU A 61 -13.795 -0.533 -4.622 1.00 69.11 O ATOM 399 OE2 GLU A 61 -12.948 -1.918 -6.103 1.00 58.54 O ATOM 400 H GLU A 61 -19.048 -1.668 -5.356 1.00 0.00 H ATOM 401 N ILE A 62 -18.226 -3.818 -2.281 1.00 39.13 N ATOM 402 CA ILE A 62 -18.844 -3.842 -0.960 1.00 38.10 C ATOM 403 C ILE A 62 -17.786 -4.310 0.011 1.00 41.13 C ATOM 404 O ILE A 62 -17.198 -5.363 -0.201 1.00 41.05 O ATOM 405 CB ILE A 62 -20.173 -4.662 -0.878 1.00 40.91 C ATOM 406 CG1 ILE A 62 -21.237 -4.118 -1.872 1.00 40.47 C ATOM 407 CG2 ILE A 62 -20.733 -4.671 0.574 1.00 41.41 C ATOM 408 CD1 ILE A 62 -22.386 -5.119 -2.256 1.00 45.02 C ATOM 409 H ILE A 62 -17.731 -4.670 -2.613 1.00 0.00 H ATOM 410 N ASP A 63 -17.524 -3.519 1.057 1.00 37.65 N ATOM 411 CA ASP A 63 -16.569 -3.858 2.109 1.00 37.32 C ATOM 412 C ASP A 63 -17.280 -4.087 3.448 1.00 38.98 C ATOM 413 O ASP A 63 -18.014 -3.221 3.920 1.00 35.81 O ATOM 414 CB ASP A 63 -15.475 -2.792 2.257 1.00 39.40 C ATOM 415 CG ASP A 63 -14.322 -2.976 1.284 1.00 60.34 C ATOM 416 OD1 ASP A 63 -14.585 -3.122 0.062 1.00 60.09 O ATOM 417 OD2 ASP A 63 -13.154 -2.991 1.742 1.00 71.98 O ATOM 418 H ASP A 63 -18.028 -2.612 1.125 1.00 0.00 H ATOM 419 N VAL A 64 -17.051 -5.261 4.051 1.00 36.78 N ATOM 420 CA VAL A 64 -17.627 -5.646 5.347 1.00 36.70 C ATOM 421 C VAL A 64 -16.485 -5.837 6.321 1.00 43.36 C ATOM 422 O VAL A 64 -15.589 -6.627 6.056 1.00 45.16 O ATOM 423 CB VAL A 64 -18.612 -6.842 5.294 1.00 38.08 C ATOM 424 CG1 VAL A 64 -19.336 -7.003 6.641 1.00 38.09 C ATOM 425 CG2 VAL A 64 -19.630 -6.664 4.174 1.00 36.30 C ATOM 426 H VAL A 64 -16.427 -5.942 3.573 1.00 0.00 H ATOM 427 N THR A 65 -16.490 -5.077 7.418 1.00 40.03 N ATOM 428 CA THR A 65 -15.425 -5.089 8.420 1.00 39.29 C ATOM 429 C THR A 65 -15.925 -5.369 9.828 1.00 40.93 C ATOM 430 O THR A 65 -16.745 -4.616 10.328 1.00 39.40 O ATOM 431 CB THR A 65 -14.712 -3.713 8.424 1.00 45.11 C ATOM 432 OG1 THR A 65 -14.364 -3.326 7.093 1.00 43.56 O ATOM 433 CG2 THR A 65 -13.478 -3.690 9.312 1.00 45.40 C ATOM 434 HG1 THR A 65 -13.910 -2.446 7.114 1.00 0.00 H ATOM 435 H THR A 65 -17.298 -4.440 7.569 1.00 0.00 H ATOM 436 N ILE A 66 -15.385 -6.411 10.484 1.00 38.90 N ATOM 437 CA ILE A 66 -15.728 -6.749 11.866 1.00 39.45 C ATOM 438 C ILE A 66 -14.711 -5.959 12.684 1.00 45.20 C ATOM 439 O ILE A 66 -13.511 -6.221 12.592 1.00 45.15 O ATOM 440 CB ILE A 66 -15.760 -8.278 12.191 1.00 42.74 C ATOM 441 CG1 ILE A 66 -16.532 -9.095 11.096 1.00 43.43 C ATOM 442 CG2 ILE A 66 -16.387 -8.499 13.576 1.00 42.76 C ATOM 443 CD1 ILE A 66 -16.488 -10.705 11.198 1.00 39.94 C ATOM 444 H ILE A 66 -14.691 -7.005 9.986 1.00 0.00 H ATOM 445 N ASN A 67 -15.186 -4.937 13.413 1.00 41.90 N ATOM 446 CA ASN A 67 -14.322 -4.044 14.189 1.00 40.66 C ATOM 447 C ASN A 67 -14.001 -4.631 15.548 1.00 43.77 C ATOM 448 O ASN A 67 -14.819 -5.338 16.098 1.00 41.44 O ATOM 449 CB ASN A 67 -14.969 -2.647 14.332 1.00 36.10 C ATOM 450 CG ASN A 67 -15.426 -2.031 13.026 1.00 46.35 C ATOM 451 OD1 ASN A 67 -14.676 -1.959 12.051 1.00 44.24 O ATOM 452 ND2 ASN A 67 -16.679 -1.580 12.970 1.00 32.25 N ATOM 453 HD22 ASN A 67 -17.295 -1.651 13.805 1.00 0.00 H ATOM 454 HD21 ASN A 67 -17.041 -1.157 12.091 1.00 0.00 H ATOM 455 H ASN A 67 -16.213 -4.772 13.428 1.00 0.00 H ATOM 456 N LYS A 68 -12.821 -4.304 16.093 1.00 43.79 N ATOM 457 CA LYS A 68 -12.311 -4.735 17.406 1.00 45.11 C ATOM 458 C LYS A 68 -13.334 -4.715 18.540 1.00 51.43 C ATOM 459 O LYS A 68 -13.196 -5.515 19.457 1.00 53.97 O ATOM 460 CB LYS A 68 -11.093 -3.885 17.826 1.00 46.81 C ATOM 461 CG LYS A 68 -9.866 -4.118 16.979 1.00 55.16 C ATOM 462 CD LYS A 68 -8.650 -3.380 17.517 1.00 64.55 C ATOM 463 CE LYS A 68 -7.433 -3.615 16.651 1.00 76.31 C ATOM 464 NZ LYS A 68 -7.609 -3.094 15.260 1.00 85.13 N ATOM 465 HZ1 LYS A 68 -8.418 -3.571 14.812 1.00 0.00 H ATOM 466 HZ2 LYS A 68 -7.785 -2.070 15.294 1.00 0.00 H ATOM 467 HZ3 LYS A 68 -6.747 -3.281 14.709 1.00 0.00 H ATOM 468 H LYS A 68 -12.203 -3.683 15.532 1.00 0.00 H ATOM 469 N ASP A 69 -14.331 -3.807 18.498 1.00 47.28 N ATOM 470 CA ASP A 69 -15.355 -3.691 19.540 1.00 47.06 C ATOM 471 C ASP A 69 -16.602 -4.539 19.269 1.00 50.62 C ATOM 472 O ASP A 69 -17.568 -4.478 20.032 1.00 51.08 O ATOM 473 CB ASP A 69 -15.715 -2.218 19.828 1.00 49.12 C ATOM 474 CG ASP A 69 -16.559 -1.444 18.807 1.00 57.17 C ATOM 475 OD1 ASP A 69 -16.514 -1.786 17.605 1.00 53.46 O ATOM 476 OD2 ASP A 69 -17.238 -0.477 19.214 1.00 65.59 O ATOM 477 H ASP A 69 -14.375 -3.158 17.687 1.00 0.00 H ATOM 478 N GLY A 70 -16.562 -5.350 18.216 1.00 46.16 N ATOM 479 CA GLY A 70 -17.672 -6.240 17.877 1.00 45.37 C ATOM 480 C GLY A 70 -18.775 -5.617 17.051 1.00 46.84 C ATOM 481 O GLY A 70 -19.812 -6.251 16.812 1.00 47.52 O ATOM 482 H GLY A 70 -15.714 -5.351 17.614 1.00 0.00 H ATOM 483 N SER A 71 -18.570 -4.370 16.611 1.00 39.81 N ATOM 484 CA SER A 71 -19.520 -3.681 15.741 1.00 38.00 C ATOM 485 C SER A 71 -19.183 -4.172 14.338 1.00 39.75 C ATOM 486 O SER A 71 -18.182 -4.857 14.162 1.00 40.38 O ATOM 487 CB SER A 71 -19.339 -2.162 15.838 1.00 39.51 C ATOM 488 OG SER A 71 -18.030 -1.743 15.471 1.00 38.68 O ATOM 489 HG SER A 71 -17.368 -2.168 16.072 1.00 0.00 H ATOM 490 H SER A 71 -17.703 -3.873 16.899 1.00 0.00 H ATOM 491 N ILE A 72 -19.985 -3.832 13.347 1.00 36.20 N ATOM 492 CA ILE A 72 -19.700 -4.229 11.972 1.00 35.76 C ATOM 493 C ILE A 72 -19.985 -3.072 11.020 1.00 39.19 C ATOM 494 O ILE A 72 -21.012 -2.416 11.162 1.00 38.14 O ATOM 495 CB ILE A 72 -20.417 -5.555 11.605 1.00 39.22 C ATOM 496 CG1 ILE A 72 -19.879 -6.158 10.300 1.00 39.72 C ATOM 497 CG2 ILE A 72 -21.972 -5.447 11.592 1.00 40.72 C ATOM 498 CD1 ILE A 72 -20.250 -7.655 10.158 1.00 43.52 C ATOM 499 H ILE A 72 -20.837 -3.270 13.550 1.00 0.00 H ATOM 500 N SER A 73 -19.082 -2.839 10.050 1.00 36.64 N ATOM 501 CA SER A 73 -19.193 -1.810 9.017 1.00 36.46 C ATOM 502 C SER A 73 -19.497 -2.421 7.657 1.00 40.65 C ATOM 503 O SER A 73 -18.860 -3.397 7.252 1.00 40.45 O ATOM 504 CB SER A 73 -17.891 -1.014 8.897 1.00 40.29 C ATOM 505 OG SER A 73 -17.529 -0.374 10.110 1.00 49.84 O ATOM 506 HG SER A 73 -18.246 0.254 10.377 1.00 0.00 H ATOM 507 H SER A 73 -18.234 -3.441 10.034 1.00 0.00 H ATOM 508 N ILE A 74 -20.443 -1.824 6.927 1.00 37.00 N ATOM 509 CA ILE A 74 -20.803 -2.239 5.566 1.00 35.59 C ATOM 510 C ILE A 74 -20.668 -0.962 4.739 1.00 41.07 C ATOM 511 O ILE A 74 -21.418 -0.002 4.934 1.00 41.40 O ATOM 512 CB ILE A 74 -22.194 -2.950 5.414 1.00 37.08 C ATOM 513 CG1 ILE A 74 -22.320 -4.206 6.314 1.00 36.39 C ATOM 514 CG2 ILE A 74 -22.436 -3.328 3.945 1.00 35.58 C ATOM 515 CD1 ILE A 74 -22.803 -3.940 7.858 1.00 40.37 C ATOM 516 H ILE A 74 -20.953 -1.020 7.346 1.00 0.00 H ATOM 517 N GLU A 75 -19.676 -0.950 3.855 1.00 37.04 N ATOM 518 CA GLU A 75 -19.315 0.179 3.017 1.00 36.55 C ATOM 519 C GLU A 75 -19.492 -0.135 1.535 1.00 39.04 C ATOM 520 O GLU A 75 -19.108 -1.204 1.067 1.00 37.64 O ATOM 521 CB GLU A 75 -17.839 0.527 3.296 1.00 38.11 C ATOM 522 CG GLU A 75 -17.424 1.920 2.866 1.00 55.60 C ATOM 523 CD GLU A 75 -15.941 2.223 2.981 1.00 74.75 C ATOM 524 OE1 GLU A 75 -15.394 2.146 4.106 1.00 63.30 O ATOM 525 OE2 GLU A 75 -15.326 2.543 1.937 1.00 63.86 O ATOM 526 H GLU A 75 -19.113 -1.819 3.756 1.00 0.00 H ATOM 527 N ASP A 76 -20.015 0.814 0.786 1.00 36.20 N ATOM 528 CA ASP A 76 -20.182 0.639 -0.653 1.00 36.47 C ATOM 529 C ASP A 76 -19.721 1.890 -1.411 1.00 40.52 C ATOM 530 O ASP A 76 -19.382 2.896 -0.787 1.00 38.33 O ATOM 531 CB ASP A 76 -21.635 0.232 -1.011 1.00 37.93 C ATOM 532 CG ASP A 76 -22.692 1.292 -0.729 1.00 47.63 C ATOM 533 OD1 ASP A 76 -22.745 2.300 -1.487 1.00 49.45 O ATOM 534 OD2 ASP A 76 -23.482 1.108 0.239 1.00 46.49 O ATOM 535 H ASP A 76 -20.315 1.706 1.229 1.00 0.00 H ATOM 536 N ASN A 77 -19.701 1.815 -2.754 1.00 39.31 N ATOM 537 CA ASN A 77 -19.324 2.934 -3.615 1.00 39.42 C ATOM 538 C ASN A 77 -20.490 3.304 -4.532 1.00 41.89 C ATOM 539 O ASN A 77 -20.288 3.707 -5.680 1.00 41.58 O ATOM 540 CB ASN A 77 -18.001 2.662 -4.386 1.00 37.44 C ATOM 541 CG ASN A 77 -17.999 1.436 -5.278 1.00 47.50 C ATOM 542 OD1 ASN A 77 -18.943 0.643 -5.322 1.00 39.66 O ATOM 543 ND2 ASN A 77 -16.911 1.242 -6.002 1.00 42.28 N ATOM 544 HD22 ASN A 77 -16.125 1.921 -5.952 1.00 0.00 H ATOM 545 HD21 ASN A 77 -16.840 0.410 -6.622 1.00 0.00 H ATOM 546 H ASN A 77 -19.967 0.915 -3.202 1.00 0.00 H ATOM 547 N GLY A 78 -21.708 3.168 -4.009 1.00 38.40 N ATOM 548 CA GLY A 78 -22.935 3.528 -4.728 1.00 37.11 C ATOM 549 C GLY A 78 -23.030 5.034 -4.756 1.00 39.90 C ATOM 550 O GLY A 78 -22.036 5.701 -4.454 1.00 39.67 O ATOM 551 H GLY A 78 -21.793 2.788 -3.045 1.00 0.00 H ATOM 552 N ARG A 79 -24.186 5.612 -5.097 1.00 36.49 N ATOM 553 CA ARG A 79 -24.277 7.085 -5.136 1.00 36.48 C ATOM 554 C ARG A 79 -24.284 7.740 -3.735 1.00 41.75 C ATOM 555 O ARG A 79 -23.974 8.920 -3.592 1.00 42.64 O ATOM 556 CB ARG A 79 -25.548 7.547 -5.888 1.00 36.69 C ATOM 557 CG ARG A 79 -25.561 7.302 -7.407 1.00 41.88 C ATOM 558 CD ARG A 79 -26.982 7.487 -7.950 1.00 47.01 C ATOM 559 NE ARG A 79 -27.888 6.401 -7.535 1.00 43.29 N ATOM 560 CZ ARG A 79 -29.193 6.366 -7.793 1.00 56.82 C ATOM 561 NH1 ARG A 79 -29.773 7.356 -8.457 1.00 57.65 N ATOM 562 NH2 ARG A 79 -29.929 5.338 -7.388 1.00 32.39 N ATOM 563 HE ARG A 79 -27.479 5.606 -7.003 1.00 0.00 H ATOM 564 HH12 ARG A 79 -30.793 7.322 -8.655 1.00 0.00 H ATOM 565 HH11 ARG A 79 -29.208 8.167 -8.780 1.00 0.00 H ATOM 566 HH22 ARG A 79 -30.948 5.316 -7.592 1.00 0.00 H ATOM 567 HH21 ARG A 79 -29.486 4.555 -6.866 1.00 0.00 H ATOM 568 H ARG A 79 -25.014 5.029 -5.333 1.00 0.00 H ATOM 569 N GLY A 80 -24.645 6.986 -2.719 1.00 37.77 N ATOM 570 CA GLY A 80 -24.767 7.560 -1.390 1.00 37.78 C ATOM 571 C GLY A 80 -26.255 7.806 -1.219 1.00 41.43 C ATOM 572 O GLY A 80 -26.929 8.184 -2.183 1.00 41.39 O ATOM 573 H GLY A 80 -24.844 5.976 -2.868 1.00 0.00 H ATOM 574 N MET A 81 -26.793 7.552 -0.025 1.00 37.77 N ATOM 575 CA MET A 81 -28.228 7.722 0.249 1.00 38.13 C ATOM 576 C MET A 81 -28.715 9.145 -0.083 1.00 42.59 C ATOM 577 O MET A 81 -27.974 10.077 0.209 1.00 41.85 O ATOM 578 CB MET A 81 -28.521 7.472 1.747 1.00 40.11 C ATOM 579 CG MET A 81 -28.318 6.075 2.197 1.00 43.68 C ATOM 580 SD MET A 81 -28.654 5.987 3.974 1.00 48.47 S ATOM 581 CE MET A 81 -28.029 4.414 4.267 1.00 45.58 C ATOM 582 H MET A 81 -26.174 7.221 0.742 1.00 0.00 H ATOM 583 N PRO A 82 -29.953 9.361 -0.614 1.00 41.52 N ATOM 584 CA PRO A 82 -30.421 10.756 -0.834 1.00 42.06 C ATOM 585 C PRO A 82 -30.606 11.438 0.529 1.00 47.95 C ATOM 586 O PRO A 82 -31.025 10.777 1.485 1.00 47.45 O ATOM 587 CB PRO A 82 -31.736 10.599 -1.600 1.00 43.09 C ATOM 588 CG PRO A 82 -31.835 9.152 -1.957 1.00 47.64 C ATOM 589 CD PRO A 82 -30.993 8.385 -0.985 1.00 42.89 C ATOM 590 N THR A 83 -30.235 12.733 0.632 1.00 46.34 N ATOM 591 CA THR A 83 -30.267 13.502 1.892 1.00 46.78 C ATOM 592 C THR A 83 -31.426 14.497 2.055 1.00 49.85 C ATOM 593 O THR A 83 -31.546 15.118 3.105 1.00 49.37 O ATOM 594 CB THR A 83 -28.932 14.225 2.074 1.00 56.38 C ATOM 595 OG1 THR A 83 -28.711 15.059 0.939 1.00 65.81 O ATOM 596 CG2 THR A 83 -27.753 13.260 2.247 1.00 52.12 C ATOM 597 HG1 THR A 83 -27.849 15.534 1.043 1.00 0.00 H ATOM 598 H THR A 83 -29.907 13.217 -0.228 1.00 0.00 H ATOM 599 N GLY A 84 -32.261 14.634 1.040 1.00 46.86 N ATOM 600 CA GLY A 84 -33.382 15.563 1.044 1.00 46.78 C ATOM 601 C GLY A 84 -34.538 15.230 1.963 1.00 52.48 C ATOM 602 O GLY A 84 -34.419 14.396 2.866 1.00 53.61 O ATOM 603 H GLY A 84 -32.110 14.048 0.194 1.00 0.00 H ATOM 604 N ILE A 85 -35.671 15.912 1.747 1.00 48.20 N ATOM 605 CA ILE A 85 -36.851 15.710 2.566 1.00 47.86 C ATOM 606 C ILE A 85 -37.725 14.651 1.923 1.00 54.32 C ATOM 607 O ILE A 85 -37.957 14.695 0.718 1.00 54.49 O ATOM 608 CB ILE A 85 -37.592 17.054 2.914 1.00 49.77 C ATOM 609 CG1 ILE A 85 -36.679 18.058 3.669 1.00 48.86 C ATOM 610 CG2 ILE A 85 -38.916 16.830 3.660 1.00 49.40 C ATOM 611 CD1 ILE A 85 -36.117 17.644 5.081 1.00 49.00 C ATOM 612 H ILE A 85 -35.705 16.604 0.972 1.00 0.00 H ATOM 613 N HIS A 86 -38.166 13.688 2.740 1.00 52.34 N ATOM 614 CA HIS A 86 -39.021 12.565 2.386 1.00 53.33 C ATOM 615 C HIS A 86 -40.457 13.085 2.411 1.00 60.27 C ATOM 616 O HIS A 86 -40.708 14.100 3.058 1.00 61.50 O ATOM 617 CB HIS A 86 -38.777 11.416 3.401 1.00 54.33 C ATOM 618 CG HIS A 86 -39.682 10.235 3.268 1.00 57.97 C ATOM 619 ND1 HIS A 86 -40.814 10.100 4.059 1.00 59.95 N ATOM 620 CD2 HIS A 86 -39.590 9.163 2.452 1.00 59.61 C ATOM 621 CE1 HIS A 86 -41.375 8.961 3.695 1.00 59.08 C ATOM 622 NE2 HIS A 86 -40.681 8.366 2.727 1.00 59.53 N ATOM 623 H HIS A 86 -37.866 13.748 3.734 1.00 0.00 H ATOM 624 N LYS A 87 -41.401 12.401 1.729 1.00 57.71 N ATOM 625 CA LYS A 87 -42.810 12.807 1.640 1.00 58.18 C ATOM 626 C LYS A 87 -43.500 13.084 2.982 1.00 63.66 C ATOM 627 O LYS A 87 -44.448 13.869 3.008 1.00 64.53 O ATOM 628 CB LYS A 87 -43.631 11.811 0.805 1.00 61.87 C ATOM 629 CG LYS A 87 -43.751 10.384 1.350 1.00 78.56 C ATOM 630 CD LYS A 87 -44.209 9.404 0.265 1.00 90.77 C ATOM 631 CE LYS A 87 -45.633 9.625 -0.216 1.00102.29 C ATOM 632 NZ LYS A 87 -45.741 9.504 -1.698 1.00108.31 N ATOM 633 HZ1 LYS A 87 -45.129 10.215 -2.148 1.00 0.00 H ATOM 634 HZ2 LYS A 87 -45.441 8.552 -1.990 1.00 0.00 H ATOM 635 HZ3 LYS A 87 -46.728 9.661 -1.986 1.00 0.00 H ATOM 636 H LYS A 87 -41.112 11.532 1.236 1.00 0.00 H ATOM 637 N SER A 88 -43.023 12.470 4.078 1.00 60.66 N ATOM 638 CA SER A 88 -43.545 12.623 5.442 1.00 60.29 C ATOM 639 C SER A 88 -43.169 13.966 6.112 1.00 63.25 C ATOM 640 O SER A 88 -43.661 14.261 7.206 1.00 63.73 O ATOM 641 CB SER A 88 -43.039 11.479 6.318 1.00 64.61 C ATOM 642 OG SER A 88 -44.061 10.521 6.552 1.00 79.46 O ATOM 643 HG SER A 88 -43.705 9.793 7.121 1.00 0.00 H ATOM 644 H SER A 88 -42.213 11.830 3.949 1.00 0.00 H ATOM 645 N GLY A 89 -42.289 14.737 5.476 1.00 57.74 N ATOM 646 CA GLY A 89 -41.796 16.007 6.000 1.00 56.42 C ATOM 647 C GLY A 89 -40.471 15.837 6.726 1.00 57.20 C ATOM 648 O GLY A 89 -39.735 16.803 6.944 1.00 57.10 O ATOM 649 H GLY A 89 -41.933 14.416 4.553 1.00 0.00 H ATOM 650 N LYS A 90 -40.143 14.598 7.086 1.00 50.34 N ATOM 651 CA LYS A 90 -38.905 14.294 7.786 1.00 48.26 C ATOM 652 C LYS A 90 -37.767 14.012 6.778 1.00 47.60 C ATOM 653 O LYS A 90 -38.042 13.557 5.655 1.00 43.77 O ATOM 654 CB LYS A 90 -39.118 13.093 8.732 1.00 50.97 C ATOM 655 CG LYS A 90 -40.040 13.367 9.919 1.00 67.06 C ATOM 656 CD LYS A 90 -39.261 13.506 11.229 1.00 81.13 C ATOM 657 CE LYS A 90 -40.156 13.607 12.447 1.00 87.84 C ATOM 658 NZ LYS A 90 -39.371 13.799 13.696 1.00 91.18 N ATOM 659 HZ1 LYS A 90 -38.729 12.991 13.828 1.00 0.00 H ATOM 660 HZ2 LYS A 90 -38.817 14.676 13.624 1.00 0.00 H ATOM 661 HZ3 LYS A 90 -40.020 13.863 14.506 1.00 0.00 H ATOM 662 H LYS A 90 -40.795 13.820 6.859 1.00 0.00 H ATOM 663 N PRO A 91 -36.485 14.263 7.152 1.00 43.20 N ATOM 664 CA PRO A 91 -35.383 13.942 6.226 1.00 43.45 C ATOM 665 C PRO A 91 -35.355 12.435 5.894 1.00 45.40 C ATOM 666 O PRO A 91 -35.614 11.602 6.783 1.00 43.78 O ATOM 667 CB PRO A 91 -34.124 14.355 7.008 1.00 45.82 C ATOM 668 CG PRO A 91 -34.603 15.243 8.097 1.00 49.74 C ATOM 669 CD PRO A 91 -35.975 14.789 8.435 1.00 44.70 C ATOM 670 N THR A 92 -35.063 12.099 4.608 1.00 39.43 N ATOM 671 CA THR A 92 -34.988 10.734 4.055 1.00 38.56 C ATOM 672 C THR A 92 -34.127 9.739 4.866 1.00 42.02 C ATOM 673 O THR A 92 -34.626 8.674 5.208 1.00 41.29 O ATOM 674 CB THR A 92 -34.516 10.776 2.590 1.00 41.59 C ATOM 675 OG1 THR A 92 -35.438 11.571 1.859 1.00 48.12 O ATOM 676 CG2 THR A 92 -34.444 9.396 1.961 1.00 37.46 C ATOM 677 HG1 THR A 92 -35.459 12.485 2.240 1.00 0.00 H ATOM 678 H THR A 92 -34.874 12.882 3.950 1.00 0.00 H ATOM 679 N VAL A 93 -32.838 10.067 5.127 1.00 39.55 N ATOM 680 CA VAL A 93 -31.906 9.217 5.877 1.00 38.90 C ATOM 681 C VAL A 93 -32.511 8.828 7.227 1.00 43.02 C ATOM 682 O VAL A 93 -32.385 7.679 7.641 1.00 40.63 O ATOM 683 CB VAL A 93 -30.505 9.874 6.027 1.00 41.03 C ATOM 684 CG1 VAL A 93 -29.627 9.113 7.018 1.00 40.14 C ATOM 685 CG2 VAL A 93 -29.811 9.989 4.677 1.00 40.14 C ATOM 686 H VAL A 93 -32.487 10.980 4.773 1.00 0.00 H ATOM 687 N GLU A 94 -33.183 9.784 7.894 1.00 42.56 N ATOM 688 CA GLU A 94 -33.821 9.552 9.188 1.00 43.09 C ATOM 689 C GLU A 94 -34.995 8.623 9.032 1.00 46.88 C ATOM 690 O GLU A 94 -35.161 7.759 9.877 1.00 46.83 O ATOM 691 CB GLU A 94 -34.287 10.857 9.807 1.00 44.35 C ATOM 692 CG GLU A 94 -34.346 10.872 11.318 1.00 56.71 C ATOM 693 CD GLU A 94 -34.514 12.293 11.827 1.00 76.54 C ATOM 694 OE1 GLU A 94 -33.536 13.075 11.737 1.00 68.04 O ATOM 695 OE2 GLU A 94 -35.628 12.631 12.292 1.00 58.01 O ATOM 696 H GLU A 94 -33.251 10.731 7.469 1.00 0.00 H ATOM 697 N VAL A 95 -35.804 8.780 7.960 1.00 42.65 N ATOM 698 CA VAL A 95 -36.979 7.921 7.744 1.00 42.14 C ATOM 699 C VAL A 95 -36.558 6.454 7.577 1.00 46.99 C ATOM 700 O VAL A 95 -37.071 5.596 8.294 1.00 47.98 O ATOM 701 CB VAL A 95 -37.919 8.425 6.612 1.00 45.23 C ATOM 702 CG1 VAL A 95 -38.966 7.368 6.222 1.00 44.76 C ATOM 703 CG2 VAL A 95 -38.611 9.718 7.035 1.00 44.83 C ATOM 704 H VAL A 95 -35.590 9.528 7.270 1.00 0.00 H ATOM 705 N ILE A 96 -35.595 6.193 6.673 1.00 42.28 N ATOM 706 CA ILE A 96 -35.036 4.876 6.344 1.00 40.41 C ATOM 707 C ILE A 96 -34.601 4.073 7.586 1.00 40.82 C ATOM 708 O ILE A 96 -34.874 2.881 7.670 1.00 40.25 O ATOM 709 CB ILE A 96 -33.877 5.048 5.304 1.00 42.75 C ATOM 710 CG1 ILE A 96 -34.402 5.588 3.923 1.00 42.20 C ATOM 711 CG2 ILE A 96 -33.019 3.761 5.145 1.00 42.45 C ATOM 712 CD1 ILE A 96 -35.735 4.979 3.389 1.00 41.88 C ATOM 713 H ILE A 96 -35.208 7.007 6.155 1.00 0.00 H ATOM 714 N PHE A 97 -33.935 4.728 8.518 1.00 36.37 N ATOM 715 CA PHE A 97 -33.423 4.110 9.727 1.00 36.66 C ATOM 716 C PHE A 97 -34.382 4.151 10.944 1.00 43.10 C ATOM 717 O PHE A 97 -34.036 3.606 11.994 1.00 41.81 O ATOM 718 CB PHE A 97 -32.068 4.731 10.077 1.00 37.99 C ATOM 719 CG PHE A 97 -30.963 4.284 9.154 1.00 40.19 C ATOM 720 CD1 PHE A 97 -30.344 3.047 9.328 1.00 43.52 C ATOM 721 CD2 PHE A 97 -30.535 5.098 8.109 1.00 43.09 C ATOM 722 CE1 PHE A 97 -29.321 2.630 8.473 1.00 44.37 C ATOM 723 CE2 PHE A 97 -29.508 4.683 7.253 1.00 46.19 C ATOM 724 CZ PHE A 97 -28.914 3.448 7.434 1.00 44.21 C ATOM 725 H PHE A 97 -33.768 5.745 8.378 1.00 0.00 H ATOM 726 N THR A 98 -35.567 4.772 10.821 1.00 41.55 N ATOM 727 CA THR A 98 -36.465 4.849 11.989 1.00 42.75 C ATOM 728 C THR A 98 -37.909 4.398 11.725 1.00 47.95 C ATOM 729 O THR A 98 -38.648 4.173 12.686 1.00 48.44 O ATOM 730 CB THR A 98 -36.457 6.271 12.626 1.00 50.48 C ATOM 731 OG1 THR A 98 -37.037 7.218 11.728 1.00 53.37 O ATOM 732 CG2 THR A 98 -35.067 6.731 13.104 1.00 45.03 C ATOM 733 HG1 THR A 98 -36.515 7.236 10.887 1.00 0.00 H ATOM 734 H THR A 98 -35.848 5.194 9.913 1.00 0.00 H ATOM 735 N VAL A 99 -38.310 4.274 10.445 1.00 43.87 N ATOM 736 CA VAL A 99 -39.674 3.895 10.052 1.00 43.87 C ATOM 737 C VAL A 99 -39.709 2.478 9.461 1.00 49.48 C ATOM 738 O VAL A 99 -38.927 2.150 8.554 1.00 48.49 O ATOM 739 CB VAL A 99 -40.331 4.969 9.113 1.00 47.78 C ATOM 740 CG1 VAL A 99 -41.797 4.650 8.819 1.00 47.37 C ATOM 741 CG2 VAL A 99 -40.211 6.382 9.694 1.00 47.38 C ATOM 742 H VAL A 99 -37.615 4.457 9.693 1.00 0.00 H ATOM 743 N LEU A 100 -40.643 1.653 9.979 1.00 46.03 N ATOM 744 CA LEU A 100 -40.846 0.256 9.605 1.00 58.31 C ATOM 745 C LEU A 100 -41.582 0.107 8.281 1.00 86.37 C ATOM 746 O LEU A 100 -42.544 0.825 8.034 1.00 59.38 O ATOM 747 CB LEU A 100 -41.574 -0.506 10.736 1.00 58.17 C ATOM 748 CG LEU A 100 -41.101 -0.279 12.188 1.00 62.95 C ATOM 749 CD1 LEU A 100 -41.929 -1.078 13.152 1.00 63.04 C ATOM 750 CD2 LEU A 100 -39.607 -0.619 12.376 1.00 65.07 C ATOM 751 H LEU A 100 -41.273 2.046 10.707 1.00 0.00 H TER 752 LEU A 100 ATOM 753 N VAL A 120 -36.299 -6.656 4.748 1.00 54.60 N ATOM 754 CA VAL A 120 -36.627 -6.475 6.164 1.00 55.94 C ATOM 755 C VAL A 120 -36.770 -4.981 6.539 1.00 62.87 C ATOM 756 O VAL A 120 -37.794 -4.593 7.118 1.00 65.38 O ATOM 757 CB VAL A 120 -35.651 -7.250 7.099 1.00 60.47 C ATOM 758 CG1 VAL A 120 -35.826 -6.855 8.561 1.00 60.20 C ATOM 759 CG2 VAL A 120 -35.830 -8.758 6.937 1.00 60.64 C ATOM 760 HN3 VAL A 120 -35.398 -6.180 4.538 1.00 0.00 H ATOM 761 HN2 VAL A 120 -37.054 -6.244 4.163 1.00 0.00 H ATOM 762 HN1 VAL A 120 -36.213 -7.671 4.540 1.00 0.00 H ATOM 763 N GLY A 121 -35.762 -4.171 6.195 1.00 57.11 N ATOM 764 CA GLY A 121 -35.723 -2.737 6.477 1.00 54.83 C ATOM 765 C GLY A 121 -34.530 -2.388 7.351 1.00 54.35 C ATOM 766 O GLY A 121 -34.181 -3.170 8.248 1.00 56.25 O ATOM 767 H GLY A 121 -34.952 -4.589 5.694 1.00 0.00 H ATOM 768 N ALA A 122 -33.884 -1.221 7.099 1.00 42.78 N ATOM 769 CA ALA A 122 -32.730 -0.776 7.895 1.00 39.34 C ATOM 770 C ALA A 122 -33.158 -0.265 9.283 1.00 39.21 C ATOM 771 O ALA A 122 -32.314 -0.142 10.177 1.00 36.20 O ATOM 772 CB ALA A 122 -31.951 0.294 7.156 1.00 39.72 C ATOM 773 H ALA A 122 -34.216 -0.621 6.317 1.00 0.00 H ATOM 774 N SER A 123 -34.477 0.026 9.461 1.00 36.37 N ATOM 775 CA SER A 123 -35.047 0.493 10.724 1.00 36.52 C ATOM 776 C SER A 123 -34.985 -0.632 11.756 1.00 41.87 C ATOM 777 O SER A 123 -34.655 -0.379 12.912 1.00 42.00 O ATOM 778 CB SER A 123 -36.467 1.025 10.545 1.00 38.43 C ATOM 779 OG SER A 123 -37.229 0.293 9.601 1.00 46.18 O ATOM 780 HG SER A 123 -38.135 0.687 9.533 1.00 0.00 H ATOM 781 H SER A 123 -35.117 -0.091 8.650 1.00 0.00 H ATOM 782 N VAL A 124 -35.247 -1.882 11.317 1.00 40.65 N ATOM 783 CA VAL A 124 -35.186 -3.105 12.147 1.00 40.35 C ATOM 784 C VAL A 124 -33.755 -3.268 12.724 1.00 44.52 C ATOM 785 O VAL A 124 -33.604 -3.477 13.936 1.00 45.36 O ATOM 786 CB VAL A 124 -35.684 -4.352 11.368 1.00 43.68 C ATOM 787 CG1 VAL A 124 -35.511 -5.634 12.185 1.00 42.35 C ATOM 788 CG2 VAL A 124 -37.154 -4.178 10.934 1.00 43.55 C ATOM 789 H VAL A 124 -35.512 -1.993 10.318 1.00 0.00 H ATOM 790 N VAL A 125 -32.712 -3.114 11.874 1.00 39.58 N ATOM 791 CA VAL A 125 -31.309 -3.207 12.323 1.00 38.57 C ATOM 792 C VAL A 125 -31.068 -2.178 13.431 1.00 43.30 C ATOM 793 O VAL A 125 -30.546 -2.524 14.504 1.00 41.59 O ATOM 794 CB VAL A 125 -30.329 -3.012 11.153 1.00 42.14 C ATOM 795 CG1 VAL A 125 -28.864 -3.060 11.625 1.00 41.25 C ATOM 796 CG2 VAL A 125 -30.594 -4.030 10.051 1.00 42.09 C ATOM 797 H VAL A 125 -32.906 -2.924 10.870 1.00 0.00 H ATOM 798 N ASN A 126 -31.501 -0.914 13.166 1.00 40.64 N ATOM 799 CA ASN A 126 -31.384 0.228 14.068 1.00 39.70 C ATOM 800 C ASN A 126 -32.066 -0.037 15.396 1.00 42.02 C ATOM 801 O ASN A 126 -31.470 0.236 16.430 1.00 42.47 O ATOM 802 CB ASN A 126 -31.905 1.515 13.408 1.00 40.36 C ATOM 803 CG ASN A 126 -31.470 2.800 14.075 1.00 46.78 C ATOM 804 OD1 ASN A 126 -30.484 2.873 14.793 1.00 45.30 O ATOM 805 ND2 ASN A 126 -32.186 3.862 13.841 1.00 46.21 N ATOM 806 HD22 ASN A 126 -33.025 3.799 13.230 1.00 0.00 H ATOM 807 HD21 ASN A 126 -31.919 4.773 14.265 1.00 0.00 H ATOM 808 H ASN A 126 -31.953 -0.749 12.244 1.00 0.00 H ATOM 809 N ALA A 127 -33.275 -0.597 15.385 1.00 39.28 N ATOM 810 CA ALA A 127 -33.998 -0.918 16.633 1.00 39.98 C ATOM 811 C ALA A 127 -33.224 -1.919 17.538 1.00 46.41 C ATOM 812 O ALA A 127 -33.154 -1.730 18.756 1.00 45.95 O ATOM 813 CB ALA A 127 -35.373 -1.459 16.315 1.00 40.04 C ATOM 814 H ALA A 127 -33.723 -0.814 14.472 1.00 0.00 H ATOM 815 N LEU A 128 -32.578 -2.923 16.918 1.00 42.39 N ATOM 816 CA LEU A 128 -31.846 -3.995 17.594 1.00 40.53 C ATOM 817 C LEU A 128 -30.372 -3.710 17.818 1.00 45.79 C ATOM 818 O LEU A 128 -29.594 -4.619 18.145 1.00 46.38 O ATOM 819 CB LEU A 128 -32.065 -5.313 16.816 1.00 39.61 C ATOM 820 CG LEU A 128 -33.547 -5.681 16.553 1.00 42.37 C ATOM 821 CD1 LEU A 128 -33.674 -6.901 15.654 1.00 41.10 C ATOM 822 CD2 LEU A 128 -34.333 -5.851 17.864 1.00 40.98 C ATOM 823 H LEU A 128 -32.600 -2.939 15.878 1.00 0.00 H ATOM 824 N SER A 129 -29.991 -2.439 17.682 1.00 42.81 N ATOM 825 CA SER A 129 -28.614 -2.002 17.866 1.00 42.05 C ATOM 826 C SER A 129 -28.529 -1.031 19.011 1.00 47.51 C ATOM 827 O SER A 129 -29.373 -0.146 19.101 1.00 48.00 O ATOM 828 CB SER A 129 -28.096 -1.337 16.587 1.00 43.74 C ATOM 829 OG SER A 129 -28.071 -2.254 15.503 1.00 46.43 O ATOM 830 HG SER A 129 -28.987 -2.590 15.335 1.00 0.00 H ATOM 831 H SER A 129 -30.709 -1.729 17.434 1.00 0.00 H ATOM 832 N GLU A 130 -27.495 -1.152 19.871 1.00 45.15 N ATOM 833 CA GLU A 130 -27.316 -0.204 20.975 1.00 45.42 C ATOM 834 C GLU A 130 -26.762 1.112 20.416 1.00 50.02 C ATOM 835 O GLU A 130 -26.733 2.129 21.113 1.00 50.41 O ATOM 836 CB GLU A 130 -26.480 -0.767 22.145 1.00 46.62 C ATOM 837 CG GLU A 130 -25.064 -1.170 21.797 1.00 59.45 C ATOM 838 CD GLU A 130 -24.149 -1.320 22.995 1.00 83.65 C ATOM 839 OE1 GLU A 130 -23.792 -0.288 23.610 1.00 70.13 O ATOM 840 OE2 GLU A 130 -23.782 -2.474 23.315 1.00 85.16 O ATOM 841 H GLU A 130 -26.815 -1.929 19.748 1.00 0.00 H ATOM 842 N TRP A 131 -26.346 1.078 19.140 1.00 45.55 N ATOM 843 CA TRP A 131 -25.840 2.213 18.379 1.00 45.04 C ATOM 844 C TRP A 131 -25.632 1.890 16.916 1.00 49.66 C ATOM 845 O TRP A 131 -25.157 0.810 16.577 1.00 49.98 O ATOM 846 CB TRP A 131 -24.588 2.855 18.988 1.00 42.78 C ATOM 847 CG TRP A 131 -23.313 2.063 18.991 1.00 43.14 C ATOM 848 CD1 TRP A 131 -22.725 1.488 20.079 1.00 46.06 C ATOM 849 CD2 TRP A 131 -22.356 1.970 17.923 1.00 42.71 C ATOM 850 NE1 TRP A 131 -21.487 0.993 19.743 1.00 45.78 N ATOM 851 CE2 TRP A 131 -21.240 1.263 18.421 1.00 46.85 C ATOM 852 CE3 TRP A 131 -22.344 2.392 16.579 1.00 43.94 C ATOM 853 CZ2 TRP A 131 -20.124 0.968 17.628 1.00 46.18 C ATOM 854 CZ3 TRP A 131 -21.252 2.079 15.786 1.00 45.29 C ATOM 855 CH2 TRP A 131 -20.156 1.380 16.307 1.00 45.96 C ATOM 856 HE1 TRP A 131 -20.841 0.494 20.388 1.00 0.00 H ATOM 857 H TRP A 131 -26.389 0.161 18.652 1.00 0.00 H ATOM 858 N LEU A 132 -25.976 2.856 16.064 1.00 45.04 N ATOM 859 CA LEU A 132 -25.867 2.812 14.612 1.00 43.24 C ATOM 860 C LEU A 132 -25.379 4.164 14.105 1.00 45.50 C ATOM 861 O LEU A 132 -25.850 5.201 14.566 1.00 44.35 O ATOM 862 CB LEU A 132 -27.234 2.472 13.971 1.00 42.53 C ATOM 863 CG LEU A 132 -27.214 2.176 12.435 1.00 45.51 C ATOM 864 CD1 LEU A 132 -28.155 1.052 12.062 1.00 44.11 C ATOM 865 CD2 LEU A 132 -27.542 3.406 11.634 1.00 44.82 C ATOM 866 H LEU A 132 -26.361 3.729 16.478 1.00 0.00 H ATOM 867 N GLU A 133 -24.443 4.140 13.148 1.00 41.85 N ATOM 868 CA GLU A 133 -23.929 5.324 12.492 1.00 41.16 C ATOM 869 C GLU A 133 -23.863 5.143 10.969 1.00 44.19 C ATOM 870 O GLU A 133 -23.489 4.083 10.453 1.00 42.98 O ATOM 871 CB GLU A 133 -22.625 5.832 13.092 1.00 42.83 C ATOM 872 CG GLU A 133 -21.386 4.988 12.877 1.00 57.70 C ATOM 873 CD GLU A 133 -20.168 5.533 13.601 1.00 85.18 C ATOM 874 OE1 GLU A 133 -20.340 6.117 14.697 1.00 75.11 O ATOM 875 OE2 GLU A 133 -19.043 5.379 13.071 1.00 86.21 O ATOM 876 H GLU A 133 -24.063 3.216 12.859 1.00 0.00 H ATOM 877 N VAL A 134 -24.280 6.196 10.261 1.00 40.80 N ATOM 878 CA VAL A 134 -24.313 6.286 8.799 1.00 39.22 C ATOM 879 C VAL A 134 -23.329 7.348 8.393 1.00 42.37 C ATOM 880 O VAL A 134 -23.237 8.394 9.028 1.00 42.50 O ATOM 881 CB VAL A 134 -25.696 6.701 8.240 1.00 42.73 C ATOM 882 CG1 VAL A 134 -25.884 6.177 6.824 1.00 42.23 C ATOM 883 CG2 VAL A 134 -26.836 6.275 9.147 1.00 42.44 C ATOM 884 H VAL A 134 -24.610 7.025 10.795 1.00 0.00 H ATOM 885 N GLU A 135 -22.655 7.108 7.287 1.00 37.70 N ATOM 886 CA GLU A 135 -21.707 8.005 6.702 1.00 35.31 C ATOM 887 C GLU A 135 -21.964 7.980 5.203 1.00 38.43 C ATOM 888 O GLU A 135 -21.880 6.937 4.583 1.00 38.42 O ATOM 889 CB GLU A 135 -20.282 7.597 7.088 1.00 36.26 C ATOM 890 CG GLU A 135 -19.237 8.528 6.490 1.00 50.42 C ATOM 891 CD GLU A 135 -17.829 8.337 7.006 1.00 67.18 C ATOM 892 OE1 GLU A 135 -17.647 8.269 8.242 1.00 55.17 O ATOM 893 OE2 GLU A 135 -16.904 8.266 6.169 1.00 68.57 O ATOM 894 H GLU A 135 -22.824 6.202 6.805 1.00 0.00 H ATOM 895 N ILE A 136 -22.303 9.131 4.623 1.00 35.64 N ATOM 896 CA ILE A 136 -22.598 9.218 3.207 1.00 35.72 C ATOM 897 C ILE A 136 -21.622 10.173 2.517 1.00 44.13 C ATOM 898 O ILE A 136 -21.360 11.258 3.016 1.00 43.70 O ATOM 899 CB ILE A 136 -24.076 9.665 3.025 1.00 37.71 C ATOM 900 CG1 ILE A 136 -25.067 8.704 3.738 1.00 36.76 C ATOM 901 CG2 ILE A 136 -24.427 9.859 1.556 1.00 37.55 C ATOM 902 CD1 ILE A 136 -26.272 9.349 4.266 1.00 36.67 C ATOM 903 H ILE A 136 -22.357 9.992 5.204 1.00 0.00 H ATOM 904 N HIS A 137 -21.089 9.747 1.380 1.00 44.58 N ATOM 905 CA HIS A 137 -20.199 10.505 0.499 1.00 45.66 C ATOM 906 C HIS A 137 -21.083 10.737 -0.727 1.00 47.05 C ATOM 907 O HIS A 137 -21.357 9.788 -1.450 1.00 46.84 O ATOM 908 CB HIS A 137 -18.949 9.680 0.144 1.00 47.22 C ATOM 909 CG HIS A 137 -17.980 9.564 1.269 1.00 52.05 C ATOM 910 ND1 HIS A 137 -18.379 9.142 2.524 1.00 54.73 N ATOM 911 CD2 HIS A 137 -16.651 9.822 1.295 1.00 54.99 C ATOM 912 CE1 HIS A 137 -17.291 9.171 3.274 1.00 54.78 C ATOM 913 NE2 HIS A 137 -16.226 9.578 2.576 1.00 55.22 N ATOM 914 H HIS A 137 -21.327 8.778 1.085 1.00 0.00 H ATOM 915 N ARG A 138 -21.598 11.968 -0.903 1.00 43.84 N ATOM 916 CA ARG A 138 -22.502 12.348 -2.005 1.00 43.99 C ATOM 917 C ARG A 138 -22.481 13.878 -2.261 1.00 50.45 C ATOM 918 O ARG A 138 -22.441 14.663 -1.300 1.00 49.20 O ATOM 919 CB ARG A 138 -23.932 11.891 -1.670 1.00 38.75 C ATOM 920 CG ARG A 138 -24.976 12.125 -2.759 1.00 42.67 C ATOM 921 CD ARG A 138 -26.292 11.607 -2.251 1.00 47.54 C ATOM 922 NE ARG A 138 -27.452 12.155 -2.946 1.00 57.43 N ATOM 923 CZ ARG A 138 -28.217 11.468 -3.787 1.00 63.64 C ATOM 924 NH1 ARG A 138 -27.926 10.204 -4.080 1.00 40.65 N ATOM 925 NH2 ARG A 138 -29.274 12.042 -4.349 1.00 42.07 N ATOM 926 HE ARG A 138 -27.696 13.151 -2.771 1.00 0.00 H ATOM 927 HH12 ARG A 138 -28.529 9.671 -4.739 1.00 0.00 H ATOM 928 HH11 ARG A 138 -27.096 9.748 -3.650 1.00 0.00 H ATOM 929 HH22 ARG A 138 -29.871 11.501 -5.007 1.00 0.00 H ATOM 930 HH21 ARG A 138 -29.505 13.032 -4.131 1.00 0.00 H ATOM 931 H ARG A 138 -21.341 12.703 -0.214 1.00 0.00 H ATOM 932 N ASP A 139 -22.540 14.283 -3.565 1.00 48.22 N ATOM 933 CA ASP A 139 -22.556 15.679 -4.034 1.00 48.37 C ATOM 934 C ASP A 139 -21.370 16.505 -3.527 1.00 51.98 C ATOM 935 O ASP A 139 -21.531 17.691 -3.245 1.00 51.96 O ATOM 936 CB ASP A 139 -23.899 16.371 -3.694 1.00 51.47 C ATOM 937 CG ASP A 139 -25.173 15.635 -4.107 1.00 69.33 C ATOM 938 OD1 ASP A 139 -25.189 15.034 -5.216 1.00 71.55 O ATOM 939 OD2 ASP A 139 -26.158 15.668 -3.327 1.00 74.19 O ATOM 940 H ASP A 139 -22.577 13.539 -4.291 1.00 0.00 H ATOM 941 N GLY A 140 -20.201 15.857 -3.404 1.00 48.26 N ATOM 942 CA GLY A 140 -18.954 16.450 -2.942 1.00 47.51 C ATOM 943 C GLY A 140 -18.832 16.529 -1.432 1.00 54.83 C ATOM 944 O GLY A 140 -17.758 16.859 -0.922 1.00 56.28 O ATOM 945 H GLY A 140 -20.185 14.849 -3.660 1.00 0.00 H ATOM 946 N ASN A 141 -19.913 16.215 -0.693 1.00 51.21 N ATOM 947 CA ASN A 141 -19.893 16.294 0.771 1.00 51.59 C ATOM 948 C ASN A 141 -19.987 14.954 1.517 1.00 55.33 C ATOM 949 O ASN A 141 -20.464 13.942 0.969 1.00 54.79 O ATOM 950 CB ASN A 141 -21.013 17.222 1.273 1.00 54.16 C ATOM 951 CG ASN A 141 -21.138 18.536 0.538 1.00 72.19 C ATOM 952 OD1 ASN A 141 -20.194 19.319 0.448 1.00 57.12 O ATOM 953 ND2 ASN A 141 -22.320 18.806 -0.002 1.00 67.75 N ATOM 954 HD22 ASN A 141 -23.101 18.126 0.089 1.00 0.00 H ATOM 955 HD21 ASN A 141 -22.465 19.698 -0.517 1.00 0.00 H ATOM 956 H ASN A 141 -20.784 15.909 -1.173 1.00 0.00 H ATOM 957 N ILE A 142 -19.541 14.981 2.791 1.00 49.63 N ATOM 958 CA ILE A 142 -19.592 13.854 3.713 1.00 48.36 C ATOM 959 C ILE A 142 -20.670 14.190 4.744 1.00 49.69 C ATOM 960 O ILE A 142 -20.547 15.174 5.476 1.00 46.56 O ATOM 961 CB ILE A 142 -18.240 13.505 4.436 1.00 50.90 C ATOM 962 CG1 ILE A 142 -17.036 13.490 3.485 1.00 50.65 C ATOM 963 CG2 ILE A 142 -18.372 12.177 5.209 1.00 50.96 C ATOM 964 CD1 ILE A 142 -15.633 13.247 4.181 1.00 52.02 C ATOM 965 H ILE A 142 -19.131 15.871 3.140 1.00 0.00 H ATOM 966 N TYR A 143 -21.709 13.358 4.813 1.00 47.17 N ATOM 967 CA TYR A 143 -22.784 13.519 5.777 1.00 46.50 C ATOM 968 C TYR A 143 -22.687 12.386 6.788 1.00 48.25 C ATOM 969 O TYR A 143 -22.326 11.266 6.428 1.00 45.49 O ATOM 970 CB TYR A 143 -24.163 13.505 5.104 1.00 47.88 C ATOM 971 CG TYR A 143 -24.336 14.519 3.996 1.00 50.74 C ATOM 972 CD1 TYR A 143 -24.746 15.823 4.272 1.00 52.13 C ATOM 973 CD2 TYR A 143 -24.136 14.164 2.664 1.00 52.26 C ATOM 974 CE1 TYR A 143 -24.914 16.759 3.250 1.00 51.24 C ATOM 975 CE2 TYR A 143 -24.300 15.090 1.637 1.00 53.66 C ATOM 976 CZ TYR A 143 -24.692 16.385 1.934 1.00 60.95 C ATOM 977 OH TYR A 143 -24.856 17.283 0.911 1.00 65.28 O ATOM 978 HH TYR A 143 -25.136 18.157 1.282 1.00 0.00 H ATOM 979 H TYR A 143 -21.752 12.559 4.148 1.00 0.00 H ATOM 980 N HIS A 144 -23.021 12.685 8.050 1.00 45.06 N ATOM 981 CA HIS A 144 -23.000 11.731 9.141 1.00 44.69 C ATOM 982 C HIS A 144 -24.244 11.880 10.002 1.00 45.99 C ATOM 983 O HIS A 144 -24.709 12.995 10.245 1.00 46.37 O ATOM 984 CB HIS A 144 -21.744 11.932 9.987 1.00 46.52 C ATOM 985 CG HIS A 144 -21.461 10.799 10.917 1.00 51.30 C ATOM 986 ND1 HIS A 144 -21.993 10.766 12.201 1.00 53.72 N ATOM 987 CD2 HIS A 144 -20.712 9.685 10.722 1.00 54.17 C ATOM 988 CE1 HIS A 144 -21.543 9.645 12.746 1.00 53.77 C ATOM 989 NE2 HIS A 144 -20.776 8.954 11.890 1.00 54.23 N ATOM 990 H HIS A 144 -23.313 13.661 8.260 1.00 0.00 H ATOM 991 N GLN A 145 -24.808 10.747 10.429 1.00 39.54 N ATOM 992 CA GLN A 145 -25.955 10.699 11.320 1.00 37.24 C ATOM 993 C GLN A 145 -25.803 9.537 12.292 1.00 42.30 C ATOM 994 O GLN A 145 -25.529 8.422 11.863 1.00 41.14 O ATOM 995 CB GLN A 145 -27.294 10.664 10.609 1.00 37.52 C ATOM 996 CG GLN A 145 -28.430 10.728 11.646 1.00 40.93 C ATOM 997 CD GLN A 145 -29.741 11.231 11.138 1.00 48.14 C ATOM 998 OE1 GLN A 145 -30.585 11.702 11.913 1.00 44.19 O ATOM 999 NE2 GLN A 145 -29.946 11.123 9.833 1.00 35.43 N ATOM 1000 HE22 GLN A 145 -29.207 10.721 9.222 1.00 0.00 H ATOM 1001 HE21 GLN A 145 -30.846 11.441 9.420 1.00 0.00 H ATOM 1002 H GLN A 145 -24.402 9.846 10.105 1.00 0.00 H ATOM 1003 N SER A 146 -26.003 9.814 13.606 1.00 39.63 N ATOM 1004 CA SER A 146 -25.889 8.855 14.694 1.00 39.79 C ATOM 1005 C SER A 146 -27.226 8.556 15.368 1.00 44.26 C ATOM 1006 O SER A 146 -28.043 9.455 15.537 1.00 44.46 O ATOM 1007 CB SER A 146 -24.876 9.357 15.717 1.00 44.35 C ATOM 1008 OG SER A 146 -23.598 9.506 15.116 1.00 53.81 O ATOM 1009 HG SER A 146 -22.953 9.832 15.792 1.00 0.00 H ATOM 1010 H SER A 146 -26.258 10.791 13.855 1.00 0.00 H ATOM 1011 N PHE A 147 -27.439 7.273 15.744 1.00 41.00 N ATOM 1012 CA PHE A 147 -28.631 6.743 16.430 1.00 39.78 C ATOM 1013 C PHE A 147 -28.143 5.917 17.603 1.00 43.59 C ATOM 1014 O PHE A 147 -27.064 5.339 17.531 1.00 43.10 O ATOM 1015 CB PHE A 147 -29.516 5.903 15.506 1.00 40.84 C ATOM 1016 CG PHE A 147 -29.910 6.561 14.199 1.00 40.35 C ATOM 1017 CD1 PHE A 147 -29.050 6.538 13.101 1.00 40.82 C ATOM 1018 CD2 PHE A 147 -31.157 7.161 14.053 1.00 40.97 C ATOM 1019 CE1 PHE A 147 -29.423 7.129 11.885 1.00 43.86 C ATOM 1020 CE2 PHE A 147 -31.538 7.740 12.838 1.00 41.44 C ATOM 1021 CZ PHE A 147 -30.663 7.736 11.762 1.00 41.62 C ATOM 1022 H PHE A 147 -26.684 6.591 15.526 1.00 0.00 H ATOM 1023 N LYS A 148 -28.896 5.913 18.703 1.00 41.04 N ATOM 1024 CA LYS A 148 -28.498 5.228 19.925 1.00 41.98 C ATOM 1025 C LYS A 148 -29.668 4.594 20.602 1.00 48.05 C ATOM 1026 O LYS A 148 -30.805 4.937 20.305 1.00 48.23 O ATOM 1027 CB LYS A 148 -27.862 6.238 20.903 1.00 45.30 C ATOM 1028 CG LYS A 148 -26.404 6.582 20.613 1.00 64.35 C ATOM 1029 CD LYS A 148 -25.483 6.041 21.698 1.00 71.29 C ATOM 1030 CE LYS A 148 -24.020 6.094 21.324 1.00 72.16 C ATOM 1031 NZ LYS A 148 -23.224 5.110 22.110 1.00 68.23 N ATOM 1032 HZ1 LYS A 148 -23.315 5.323 23.124 1.00 0.00 H ATOM 1033 HZ2 LYS A 148 -23.579 4.151 21.923 1.00 0.00 H ATOM 1034 HZ3 LYS A 148 -22.224 5.172 21.830 1.00 0.00 H ATOM 1035 H LYS A 148 -29.804 6.419 18.688 1.00 0.00 H ATOM 1036 N ASN A 149 -29.372 3.657 21.524 1.00 47.22 N ATOM 1037 CA ASN A 149 -30.290 2.938 22.409 1.00 48.05 C ATOM 1038 C ASN A 149 -31.590 2.483 21.756 1.00 53.54 C ATOM 1039 O ASN A 149 -32.672 2.744 22.276 1.00 52.79 O ATOM 1040 CB ASN A 149 -30.571 3.795 23.672 1.00 50.86 C ATOM 1041 H ASN A 149 -28.365 3.414 21.619 1.00 0.00 H ATOM 1042 N GLY A 150 -31.476 1.794 20.626 1.00 51.84 N ATOM 1043 CA GLY A 150 -32.647 1.283 19.933 1.00 51.46 C ATOM 1044 C GLY A 150 -33.212 2.118 18.807 1.00 55.46 C ATOM 1045 O GLY A 150 -34.381 1.951 18.452 1.00 55.63 O ATOM 1046 H GLY A 150 -30.531 1.617 20.230 1.00 0.00 H ATOM 1047 N GLY A 151 -32.398 2.994 18.231 1.00 51.65 N ATOM 1048 CA GLY A 151 -32.833 3.796 17.094 1.00 51.34 C ATOM 1049 C GLY A 151 -33.241 5.235 17.326 1.00 55.78 C ATOM 1050 O GLY A 151 -33.775 5.874 16.412 1.00 54.68 O ATOM 1051 H GLY A 151 -31.432 3.110 18.598 1.00 0.00 H ATOM 1052 N SER A 152 -32.989 5.761 18.536 1.00 53.03 N ATOM 1053 CA SER A 152 -33.321 7.141 18.856 1.00 52.86 C ATOM 1054 C SER A 152 -32.250 8.052 18.243 1.00 53.94 C ATOM 1055 O SER A 152 -31.077 7.915 18.616 1.00 52.07 O ATOM 1056 CB SER A 152 -33.410 7.344 20.367 1.00 58.64 C ATOM 1057 OG SER A 152 -34.441 6.539 20.921 1.00 73.12 O ATOM 1058 HG SER A 152 -34.482 6.685 21.899 1.00 0.00 H ATOM 1059 H SER A 152 -32.545 5.166 19.264 1.00 0.00 H ATOM 1060 N PRO A 153 -32.614 8.978 17.302 1.00 49.03 N ATOM 1061 CA PRO A 153 -31.585 9.863 16.717 1.00 47.92 C ATOM 1062 C PRO A 153 -30.835 10.658 17.781 1.00 52.77 C ATOM 1063 O PRO A 153 -31.440 11.351 18.596 1.00 51.92 O ATOM 1064 CB PRO A 153 -32.365 10.740 15.722 1.00 48.89 C ATOM 1065 CG PRO A 153 -33.625 9.991 15.441 1.00 53.20 C ATOM 1066 CD PRO A 153 -33.951 9.265 16.735 1.00 49.44 C ATOM 1067 N SER A 154 -29.507 10.473 17.802 1.00 50.59 N ATOM 1068 CA SER A 154 -28.532 11.091 18.703 1.00 50.14 C ATOM 1069 C SER A 154 -28.073 12.435 18.118 1.00 54.11 C ATOM 1070 O SER A 154 -27.554 13.297 18.833 1.00 53.52 O ATOM 1071 CB SER A 154 -27.334 10.157 18.858 1.00 53.59 C ATOM 1072 OG SER A 154 -26.310 10.740 19.644 1.00 62.18 O ATOM 1073 HG SER A 154 -26.000 11.575 19.213 1.00 0.00 H ATOM 1074 H SER A 154 -29.125 9.813 17.095 1.00 0.00 H ATOM 1075 N SER A 155 -28.249 12.595 16.804 1.00 50.28 N ATOM 1076 CA SER A 155 -27.899 13.809 16.070 1.00 49.47 C ATOM 1077 C SER A 155 -28.787 13.886 14.836 1.00 52.73 C ATOM 1078 O SER A 155 -29.507 12.933 14.542 1.00 52.96 O ATOM 1079 CB SER A 155 -26.420 13.776 15.663 1.00 50.09 C ATOM 1080 OG SER A 155 -26.154 12.940 14.552 1.00 50.56 O ATOM 1081 HG SER A 155 -26.669 13.260 13.769 1.00 0.00 H ATOM 1082 H SER A 155 -28.662 11.805 16.269 1.00 0.00 H ATOM 1083 N GLY A 156 -28.735 15.006 14.129 1.00 48.95 N ATOM 1084 CA GLY A 156 -29.445 15.160 12.863 1.00 47.32 C ATOM 1085 C GLY A 156 -28.421 14.794 11.798 1.00 48.00 C ATOM 1086 O GLY A 156 -27.313 14.368 12.139 1.00 46.36 O ATOM 1087 H GLY A 156 -28.170 15.801 14.488 1.00 0.00 H ATOM 1088 N LEU A 157 -28.741 14.973 10.514 1.00 43.94 N ATOM 1089 CA LEU A 157 -27.765 14.691 9.477 1.00 43.20 C ATOM 1090 C LEU A 157 -26.814 15.873 9.464 1.00 51.58 C ATOM 1091 O LEU A 157 -27.228 17.006 9.221 1.00 52.01 O ATOM 1092 CB LEU A 157 -28.427 14.491 8.118 1.00 42.28 C ATOM 1093 CG LEU A 157 -27.497 14.005 7.008 1.00 44.92 C ATOM 1094 CD1 LEU A 157 -27.171 12.511 7.163 1.00 43.77 C ATOM 1095 CD2 LEU A 157 -28.136 14.214 5.694 1.00 45.72 C ATOM 1096 H LEU A 157 -29.689 15.314 10.257 1.00 0.00 H ATOM 1097 N VAL A 158 -25.544 15.609 9.760 1.00 50.73 N ATOM 1098 CA VAL A 158 -24.518 16.635 9.881 1.00 51.45 C ATOM 1099 C VAL A 158 -23.443 16.517 8.817 1.00 57.87 C ATOM 1100 O VAL A 158 -22.894 15.433 8.600 1.00 58.41 O ATOM 1101 CB VAL A 158 -23.954 16.610 11.331 1.00 55.73 C ATOM 1102 CG1 VAL A 158 -22.597 17.299 11.449 1.00 56.48 C ATOM 1103 CG2 VAL A 158 -24.954 17.206 12.312 1.00 55.24 C ATOM 1104 H VAL A 158 -25.270 14.618 9.913 1.00 0.00 H ATOM 1105 N LYS A 159 -23.153 17.651 8.149 1.00 55.00 N ATOM 1106 CA LYS A 159 -22.109 17.757 7.141 1.00 54.96 C ATOM 1107 C LYS A 159 -20.814 17.783 7.978 1.00 60.92 C ATOM 1108 O LYS A 159 -20.668 18.627 8.867 1.00 60.13 O ATOM 1109 CB LYS A 159 -22.300 19.034 6.306 1.00 56.32 C ATOM 1110 CG LYS A 159 -21.593 18.996 4.952 1.00 67.27 C ATOM 1111 CD LYS A 159 -22.514 19.475 3.817 1.00 73.68 C ATOM 1112 CE LYS A 159 -22.388 20.946 3.506 1.00 78.22 C ATOM 1113 NZ LYS A 159 -23.718 21.591 3.371 1.00 82.30 N ATOM 1114 HZ1 LYS A 159 -24.246 21.136 2.599 1.00 0.00 H ATOM 1115 HZ2 LYS A 159 -24.244 21.487 4.262 1.00 0.00 H ATOM 1116 HZ3 LYS A 159 -23.592 22.601 3.157 1.00 0.00 H ATOM 1117 H LYS A 159 -23.709 18.502 8.367 1.00 0.00 H ATOM 1118 N LYS A 160 -19.924 16.807 7.750 1.00 59.05 N ATOM 1119 CA LYS A 160 -18.681 16.634 8.511 1.00 58.65 C ATOM 1120 C LYS A 160 -17.402 16.918 7.732 1.00 61.29 C ATOM 1121 O LYS A 160 -16.340 17.026 8.342 1.00 62.44 O ATOM 1122 CB LYS A 160 -18.627 15.215 9.122 1.00 61.59 C ATOM 1123 CG LYS A 160 -19.188 15.106 10.541 1.00 79.94 C ATOM 1124 CD LYS A 160 -18.118 15.357 11.617 1.00 91.70 C ATOM 1125 CE LYS A 160 -18.656 15.203 13.021 1.00101.71 C ATOM 1126 NZ LYS A 160 -17.622 15.497 14.050 1.00107.09 N ATOM 1127 HZ1 LYS A 160 -16.823 14.841 13.934 1.00 0.00 H ATOM 1128 HZ2 LYS A 160 -17.289 16.475 13.935 1.00 0.00 H ATOM 1129 HZ3 LYS A 160 -18.034 15.379 14.998 1.00 0.00 H ATOM 1130 H LYS A 160 -20.127 16.130 6.987 1.00 0.00 H ATOM 1131 N GLY A 161 -17.503 17.030 6.415 1.00 55.79 N ATOM 1132 CA GLY A 161 -16.358 17.304 5.549 1.00 55.20 C ATOM 1133 C GLY A 161 -16.672 17.263 4.063 1.00 58.51 C ATOM 1134 O GLY A 161 -17.843 17.269 3.663 1.00 57.32 O ATOM 1135 H GLY A 161 -18.440 16.918 5.978 1.00 0.00 H ATOM 1136 N LYS A 162 -15.618 17.243 3.234 1.00 56.20 N ATOM 1137 CA LYS A 162 -15.758 17.187 1.774 1.00 55.92 C ATOM 1138 C LYS A 162 -15.026 15.968 1.182 1.00 56.34 C ATOM 1139 O LYS A 162 -14.083 15.437 1.778 1.00 56.54 O ATOM 1140 CB LYS A 162 -15.393 18.517 1.084 1.00 59.14 C ATOM 1141 CG LYS A 162 -16.619 19.434 0.961 1.00 69.41 C ATOM 1142 CD LYS A 162 -16.535 20.457 -0.174 1.00 75.84 C ATOM 1143 CE LYS A 162 -17.083 19.998 -1.513 1.00 81.34 C ATOM 1144 NZ LYS A 162 -16.174 19.036 -2.208 1.00 80.40 N ATOM 1145 HZ1 LYS A 162 -15.254 19.491 -2.378 1.00 0.00 H ATOM 1146 HZ2 LYS A 162 -16.041 18.194 -1.612 1.00 0.00 H ATOM 1147 HZ3 LYS A 162 -16.597 18.756 -3.116 1.00 0.00 H ATOM 1148 H LYS A 162 -14.662 17.268 3.643 1.00 0.00 H ATOM 1149 N THR A 163 -15.510 15.504 0.037 1.00 49.89 N ATOM 1150 CA THR A 163 -15.010 14.307 -0.633 1.00 49.86 C ATOM 1151 C THR A 163 -15.156 14.390 -2.157 1.00 55.45 C ATOM 1152 O THR A 163 -15.852 15.267 -2.676 1.00 54.49 O ATOM 1153 CB THR A 163 -15.813 13.085 -0.069 1.00 53.50 C ATOM 1154 OG1 THR A 163 -15.302 11.864 -0.599 1.00 52.23 O ATOM 1155 CG2 THR A 163 -17.349 13.193 -0.327 1.00 49.71 C ATOM 1156 HG1 THR A 163 -15.820 11.104 -0.233 1.00 0.00 H ATOM 1157 H THR A 163 -16.292 16.024 -0.410 1.00 0.00 H ATOM 1158 N LYS A 164 -14.511 13.451 -2.855 1.00 54.42 N ATOM 1159 CA LYS A 164 -14.566 13.283 -4.311 1.00 55.53 C ATOM 1160 C LYS A 164 -15.047 11.847 -4.563 1.00 59.05 C ATOM 1161 O LYS A 164 -15.354 11.447 -5.702 1.00 58.23 O ATOM 1162 CB LYS A 164 -13.211 13.578 -4.997 1.00 59.63 C ATOM 1163 CG LYS A 164 -11.958 13.047 -4.291 1.00 76.69 C ATOM 1164 CD LYS A 164 -10.716 13.788 -4.792 1.00 87.86 C ATOM 1165 CE LYS A 164 -9.466 13.411 -4.030 1.00100.93 C ATOM 1166 NZ LYS A 164 -8.287 14.212 -4.456 1.00108.05 N ATOM 1167 HZ1 LYS A 164 -8.110 14.054 -5.468 1.00 0.00 H ATOM 1168 HZ2 LYS A 164 -8.476 15.221 -4.289 1.00 0.00 H ATOM 1169 HZ3 LYS A 164 -7.454 13.919 -3.907 1.00 0.00 H ATOM 1170 H LYS A 164 -13.920 12.783 -2.321 1.00 0.00 H ATOM 1171 N LYS A 165 -15.131 11.087 -3.453 1.00 54.17 N ATOM 1172 CA LYS A 165 -15.577 9.706 -3.423 1.00 53.44 C ATOM 1173 C LYS A 165 -17.079 9.688 -3.177 1.00 53.30 C ATOM 1174 O LYS A 165 -17.631 10.674 -2.694 1.00 52.13 O ATOM 1175 CB LYS A 165 -14.787 8.895 -2.374 1.00 56.23 C ATOM 1176 CG LYS A 165 -13.426 8.402 -2.878 1.00 67.52 C ATOM 1177 CD LYS A 165 -12.321 9.479 -2.881 1.00 78.09 C ATOM 1178 CE LYS A 165 -10.978 8.984 -3.381 1.00 82.60 C ATOM 1179 NZ LYS A 165 -11.012 8.622 -4.821 1.00 88.86 N ATOM 1180 HZ1 LYS A 165 -11.711 7.866 -4.971 1.00 0.00 H ATOM 1181 HZ2 LYS A 165 -11.277 9.457 -5.381 1.00 0.00 H ATOM 1182 HZ3 LYS A 165 -10.072 8.290 -5.116 1.00 0.00 H ATOM 1183 H LYS A 165 -14.855 11.523 -2.550 1.00 0.00 H ATOM 1184 N THR A 166 -17.746 8.595 -3.557 1.00 48.47 N ATOM 1185 CA THR A 166 -19.197 8.477 -3.397 1.00 46.91 C ATOM 1186 C THR A 166 -19.565 7.164 -2.696 1.00 47.20 C ATOM 1187 O THR A 166 -18.782 6.213 -2.759 1.00 46.57 O ATOM 1188 CB THR A 166 -19.905 8.711 -4.750 1.00 57.98 C ATOM 1189 OG1 THR A 166 -21.273 9.021 -4.506 1.00 70.67 O ATOM 1190 CG2 THR A 166 -19.792 7.536 -5.706 1.00 49.43 C ATOM 1191 HG1 THR A 166 -21.701 8.266 -4.029 1.00 0.00 H ATOM 1192 H THR A 166 -17.219 7.804 -3.979 1.00 0.00 H ATOM 1193 N GLY A 167 -20.734 7.122 -2.041 1.00 40.24 N ATOM 1194 CA GLY A 167 -21.196 5.917 -1.365 1.00 39.14 C ATOM 1195 C GLY A 167 -21.705 6.053 0.058 1.00 41.76 C ATOM 1196 O GLY A 167 -21.726 7.138 0.628 1.00 39.51 O ATOM 1197 H GLY A 167 -21.329 7.975 -2.015 1.00 0.00 H ATOM 1198 N THR A 168 -22.095 4.924 0.643 1.00 38.82 N ATOM 1199 CA THR A 168 -22.650 4.861 1.995 1.00 38.36 C ATOM 1200 C THR A 168 -21.920 3.823 2.838 1.00 41.46 C ATOM 1201 O THR A 168 -21.653 2.719 2.358 1.00 40.29 O ATOM 1202 CB THR A 168 -24.129 4.430 1.912 1.00 41.35 C ATOM 1203 OG1 THR A 168 -24.810 5.236 0.955 1.00 39.53 O ATOM 1204 CG2 THR A 168 -24.831 4.467 3.271 1.00 36.49 C ATOM 1205 HG1 THR A 168 -24.384 5.124 0.068 1.00 0.00 H ATOM 1206 H THR A 168 -22.000 4.036 0.109 1.00 0.00 H ATOM 1207 N LYS A 169 -21.667 4.163 4.111 1.00 37.15 N ATOM 1208 CA LYS A 169 -21.026 3.277 5.078 1.00 36.66 C ATOM 1209 C LYS A 169 -21.937 3.194 6.320 1.00 40.66 C ATOM 1210 O LYS A 169 -22.276 4.212 6.902 1.00 38.02 O ATOM 1211 CB LYS A 169 -19.601 3.781 5.396 1.00 37.64 C ATOM 1212 CG LYS A 169 -18.860 2.971 6.437 1.00 40.53 C ATOM 1213 CD LYS A 169 -17.564 3.650 6.815 1.00 44.57 C ATOM 1214 CE LYS A 169 -16.999 3.062 8.085 1.00 61.39 C ATOM 1215 NZ LYS A 169 -15.695 3.682 8.457 1.00 72.40 N ATOM 1216 HZ1 LYS A 169 -15.007 3.526 7.693 1.00 0.00 H ATOM 1217 HZ2 LYS A 169 -15.827 4.703 8.602 1.00 0.00 H ATOM 1218 HZ3 LYS A 169 -15.344 3.248 9.335 1.00 0.00 H ATOM 1219 H LYS A 169 -21.944 5.114 4.428 1.00 0.00 H ATOM 1220 N VAL A 170 -22.381 1.983 6.685 1.00 39.66 N ATOM 1221 CA VAL A 170 -23.254 1.785 7.851 1.00 38.91 C ATOM 1222 C VAL A 170 -22.474 0.973 8.843 1.00 40.89 C ATOM 1223 O VAL A 170 -21.893 -0.032 8.471 1.00 39.58 O ATOM 1224 CB VAL A 170 -24.611 1.121 7.513 1.00 42.57 C ATOM 1225 CG1 VAL A 170 -25.435 0.856 8.785 1.00 41.77 C ATOM 1226 CG2 VAL A 170 -25.408 1.961 6.513 1.00 42.37 C ATOM 1227 H VAL A 170 -22.098 1.155 6.124 1.00 0.00 H ATOM 1228 N THR A 171 -22.436 1.429 10.089 1.00 36.92 N ATOM 1229 CA THR A 171 -21.722 0.774 11.168 1.00 36.33 C ATOM 1230 C THR A 171 -22.667 0.693 12.328 1.00 41.98 C ATOM 1231 O THR A 171 -23.064 1.734 12.867 1.00 42.80 O ATOM 1232 CB THR A 171 -20.452 1.567 11.527 1.00 43.91 C ATOM 1233 OG1 THR A 171 -19.663 1.750 10.347 1.00 40.15 O ATOM 1234 CG2 THR A 171 -19.638 0.913 12.649 1.00 39.46 C ATOM 1235 HG1 THR A 171 -20.189 2.250 9.674 1.00 0.00 H ATOM 1236 H THR A 171 -22.949 2.308 10.304 1.00 0.00 H ATOM 1237 N PHE A 172 -23.031 -0.544 12.720 1.00 37.97 N ATOM 1238 CA PHE A 172 -23.917 -0.785 13.855 1.00 36.63 C ATOM 1239 C PHE A 172 -23.311 -1.809 14.807 1.00 43.50 C ATOM 1240 O PHE A 172 -22.423 -2.561 14.408 1.00 44.67 O ATOM 1241 CB PHE A 172 -25.310 -1.201 13.390 1.00 37.26 C ATOM 1242 CG PHE A 172 -25.400 -2.567 12.766 1.00 37.36 C ATOM 1243 CD1 PHE A 172 -25.122 -2.752 11.414 1.00 36.86 C ATOM 1244 CD2 PHE A 172 -25.785 -3.675 13.528 1.00 39.14 C ATOM 1245 CE1 PHE A 172 -25.190 -4.024 10.841 1.00 38.85 C ATOM 1246 CE2 PHE A 172 -25.859 -4.945 12.951 1.00 39.24 C ATOM 1247 CZ PHE A 172 -25.577 -5.107 11.605 1.00 37.20 C ATOM 1248 H PHE A 172 -22.665 -1.362 12.192 1.00 0.00 H ATOM 1249 N LYS A 173 -23.755 -1.787 16.067 1.00 39.76 N ATOM 1250 CA LYS A 173 -23.361 -2.704 17.129 1.00 39.97 C ATOM 1251 C LYS A 173 -24.656 -3.309 17.678 1.00 42.38 C ATOM 1252 O LYS A 173 -25.470 -2.579 18.247 1.00 40.55 O ATOM 1253 CB LYS A 173 -22.573 -2.014 18.254 1.00 42.98 C ATOM 1254 CG LYS A 173 -21.677 -2.982 19.032 1.00 53.33 C ATOM 1255 CD LYS A 173 -21.990 -2.952 20.507 1.00 65.49 C ATOM 1256 CE LYS A 173 -20.745 -3.097 21.357 1.00 75.31 C ATOM 1257 NZ LYS A 173 -21.012 -2.843 22.800 1.00 73.26 N ATOM 1258 HZ1 LYS A 173 -21.373 -1.875 22.919 1.00 0.00 H ATOM 1259 HZ2 LYS A 173 -21.719 -3.523 23.145 1.00 0.00 H ATOM 1260 HZ3 LYS A 173 -20.130 -2.954 23.339 1.00 0.00 H ATOM 1261 H LYS A 173 -24.445 -1.048 16.312 1.00 0.00 H ATOM 1262 N PRO A 174 -24.897 -4.620 17.471 1.00 39.62 N ATOM 1263 CA PRO A 174 -26.157 -5.220 17.961 1.00 40.28 C ATOM 1264 C PRO A 174 -26.273 -5.137 19.487 1.00 44.97 C ATOM 1265 O PRO A 174 -25.258 -5.121 20.186 1.00 43.68 O ATOM 1266 CB PRO A 174 -26.085 -6.662 17.462 1.00 41.81 C ATOM 1267 CG PRO A 174 -24.622 -6.913 17.267 1.00 46.04 C ATOM 1268 CD PRO A 174 -24.057 -5.620 16.779 1.00 41.33 C ATOM 1269 N ASP A 175 -27.506 -5.047 19.982 1.00 41.96 N ATOM 1270 CA ASP A 175 -27.762 -4.914 21.403 1.00 43.39 C ATOM 1271 C ASP A 175 -27.662 -6.246 22.168 1.00 46.30 C ATOM 1272 O ASP A 175 -28.325 -7.208 21.804 1.00 41.78 O ATOM 1273 CB ASP A 175 -29.132 -4.247 21.621 1.00 46.30 C ATOM 1274 CG ASP A 175 -29.371 -3.669 23.008 1.00 58.54 C ATOM 1275 OD1 ASP A 175 -28.551 -3.931 23.924 1.00 59.74 O ATOM 1276 OD2 ASP A 175 -30.372 -2.962 23.180 1.00 67.10 O ATOM 1277 H ASP A 175 -28.313 -5.073 19.327 1.00 0.00 H ATOM 1278 N ASP A 176 -26.838 -6.280 23.244 1.00 48.47 N ATOM 1279 CA ASP A 176 -26.659 -7.473 24.106 1.00 49.83 C ATOM 1280 C ASP A 176 -27.930 -7.838 24.888 1.00 53.84 C ATOM 1281 O ASP A 176 -28.054 -8.971 25.340 1.00 54.40 O ATOM 1282 CB ASP A 176 -25.490 -7.294 25.089 1.00 52.78 C ATOM 1283 CG ASP A 176 -24.109 -7.405 24.469 1.00 72.78 C ATOM 1284 OD1 ASP A 176 -23.745 -8.521 24.007 1.00 77.74 O ATOM 1285 OD2 ASP A 176 -23.382 -6.385 24.460 1.00 76.39 O ATOM 1286 H ASP A 176 -26.301 -5.421 23.478 1.00 0.00 H ATOM 1287 N THR A 177 -28.871 -6.893 25.040 1.00 50.23 N ATOM 1288 CA THR A 177 -30.122 -7.118 25.770 1.00 50.74 C ATOM 1289 C THR A 177 -31.154 -7.812 24.866 1.00 55.28 C ATOM 1290 O THR A 177 -32.141 -8.353 25.368 1.00 57.27 O ATOM 1291 CB THR A 177 -30.580 -5.794 26.412 1.00 63.17 C ATOM 1292 OG1 THR A 177 -29.526 -5.330 27.275 1.00 61.21 O ATOM 1293 CG2 THR A 177 -31.864 -5.932 27.224 1.00 65.21 C ATOM 1294 HG1 THR A 177 -29.799 -4.478 27.699 1.00 0.00 H ATOM 1295 H THR A 177 -28.705 -5.956 24.620 1.00 0.00 H ATOM 1296 N ILE A 178 -30.917 -7.820 23.545 1.00 49.40 N ATOM 1297 CA ILE A 178 -31.796 -8.460 22.561 1.00 48.90 C ATOM 1298 C ILE A 178 -31.256 -9.872 22.291 1.00 51.85 C ATOM 1299 O ILE A 178 -32.001 -10.851 22.364 1.00 52.95 O ATOM 1300 CB ILE A 178 -31.848 -7.592 21.263 1.00 52.62 C ATOM 1301 CG1 ILE A 178 -32.562 -6.231 21.506 1.00 53.45 C ATOM 1302 CG2 ILE A 178 -32.433 -8.355 20.051 1.00 53.41 C ATOM 1303 CD1 ILE A 178 -34.093 -6.256 21.695 1.00 58.87 C ATOM 1304 H ILE A 178 -30.059 -7.344 23.199 1.00 0.00 H ATOM 1305 N PHE A 179 -29.954 -9.959 21.970 1.00 45.20 N ATOM 1306 CA PHE A 179 -29.261 -11.194 21.673 1.00 43.81 C ATOM 1307 C PHE A 179 -28.498 -11.503 22.943 1.00 48.54 C ATOM 1308 O PHE A 179 -27.293 -11.268 23.063 1.00 47.84 O ATOM 1309 CB PHE A 179 -28.357 -11.027 20.425 1.00 44.57 C ATOM 1310 CG PHE A 179 -29.055 -10.498 19.195 1.00 44.93 C ATOM 1311 CD1 PHE A 179 -29.751 -11.351 18.348 1.00 46.58 C ATOM 1312 CD2 PHE A 179 -29.022 -9.144 18.885 1.00 48.46 C ATOM 1313 CE1 PHE A 179 -30.402 -10.866 17.212 1.00 48.62 C ATOM 1314 CE2 PHE A 179 -29.675 -8.653 17.744 1.00 49.10 C ATOM 1315 CZ PHE A 179 -30.366 -9.518 16.919 1.00 47.09 C ATOM 1316 H PHE A 179 -29.406 -9.076 21.932 1.00 0.00 H ATOM 1317 N LYS A 180 -29.258 -11.999 23.915 1.00 48.26 N ATOM 1318 CA LYS A 180 -28.847 -12.363 25.278 1.00 49.21 C ATOM 1319 C LYS A 180 -27.647 -13.315 25.297 1.00 54.74 C ATOM 1320 O LYS A 180 -26.671 -13.015 25.980 1.00 55.04 O ATOM 1321 CB LYS A 180 -30.040 -12.949 26.060 1.00 51.77 C ATOM 1322 CG LYS A 180 -31.380 -12.198 25.883 1.00 65.13 C ATOM 1323 CD LYS A 180 -31.963 -11.686 27.210 1.00 78.99 C ATOM 1324 CE LYS A 180 -31.204 -10.504 27.789 1.00 90.99 C ATOM 1325 NZ LYS A 180 -31.567 -10.245 29.204 1.00 95.32 N ATOM 1326 HZ1 LYS A 180 -32.584 -10.039 29.268 1.00 0.00 H ATOM 1327 HZ2 LYS A 180 -31.345 -11.084 29.777 1.00 0.00 H ATOM 1328 HZ3 LYS A 180 -31.025 -9.430 29.556 1.00 0.00 H ATOM 1329 H LYS A 180 -30.261 -12.147 23.683 1.00 0.00 H ATOM 1330 N ALA A 181 -27.708 -14.423 24.504 1.00 51.03 N ATOM 1331 CA ALA A 181 -26.675 -15.463 24.352 1.00 50.86 C ATOM 1332 C ALA A 181 -25.347 -14.986 23.714 1.00 54.99 C ATOM 1333 O ALA A 181 -24.286 -15.289 24.263 1.00 53.64 O ATOM 1334 CB ALA A 181 -27.238 -16.639 23.579 1.00 51.56 C ATOM 1335 H ALA A 181 -28.577 -14.547 23.947 1.00 0.00 H ATOM 1336 N SER A 182 -25.398 -14.243 22.563 1.00 51.63 N ATOM 1337 CA SER A 182 -24.189 -13.718 21.871 1.00 50.07 C ATOM 1338 C SER A 182 -24.463 -12.554 20.903 1.00 52.79 C ATOM 1339 O SER A 182 -25.537 -12.501 20.320 1.00 53.30 O ATOM 1340 CB SER A 182 -23.497 -14.831 21.087 1.00 50.20 C ATOM 1341 OG SER A 182 -22.262 -14.373 20.562 1.00 56.74 O ATOM 1342 HG SER A 182 -21.827 -15.106 20.058 1.00 0.00 H ATOM 1343 H SER A 182 -26.330 -14.035 22.152 1.00 0.00 H ATOM 1344 N THR A 183 -23.477 -11.658 20.702 1.00 48.24 N ATOM 1345 CA THR A 183 -23.528 -10.534 19.742 1.00 48.34 C ATOM 1346 C THR A 183 -22.299 -10.593 18.806 1.00 53.56 C ATOM 1347 O THR A 183 -22.182 -9.768 17.894 1.00 54.27 O ATOM 1348 CB THR A 183 -23.644 -9.153 20.414 1.00 55.36 C ATOM 1349 OG1 THR A 183 -22.641 -9.006 21.417 1.00 59.42 O ATOM 1350 CG2 THR A 183 -25.036 -8.861 20.961 1.00 51.83 C ATOM 1351 HG1 THR A 183 -22.727 -8.115 21.840 1.00 0.00 H ATOM 1352 H THR A 183 -22.611 -11.765 21.267 1.00 0.00 H ATOM 1353 N SER A 184 -21.391 -11.580 19.035 1.00 48.74 N ATOM 1354 CA SER A 184 -20.158 -11.794 18.283 1.00 46.99 C ATOM 1355 C SER A 184 -20.394 -12.423 16.919 1.00 46.86 C ATOM 1356 O SER A 184 -20.989 -13.490 16.835 1.00 47.04 O ATOM 1357 CB SER A 184 -19.181 -12.636 19.094 1.00 51.63 C ATOM 1358 OG SER A 184 -17.929 -12.730 18.430 1.00 64.58 O ATOM 1359 HG SER A 184 -17.310 -13.280 18.972 1.00 0.00 H ATOM 1360 H SER A 184 -21.593 -12.239 19.813 1.00 0.00 H ATOM 1361 N PHE A 185 -19.940 -11.758 15.847 1.00 41.48 N ATOM 1362 CA PHE A 185 -20.096 -12.265 14.482 1.00 40.30 C ATOM 1363 C PHE A 185 -19.088 -13.353 14.199 1.00 44.24 C ATOM 1364 O PHE A 185 -17.957 -13.296 14.700 1.00 45.33 O ATOM 1365 CB PHE A 185 -20.003 -11.149 13.413 1.00 41.31 C ATOM 1366 CG PHE A 185 -21.033 -10.059 13.584 1.00 42.37 C ATOM 1367 CD1 PHE A 185 -22.363 -10.270 13.223 1.00 43.73 C ATOM 1368 CD2 PHE A 185 -20.685 -8.831 14.138 1.00 43.63 C ATOM 1369 CE1 PHE A 185 -23.321 -9.275 13.415 1.00 43.38 C ATOM 1370 CE2 PHE A 185 -21.648 -7.841 14.335 1.00 45.48 C ATOM 1371 CZ PHE A 185 -22.954 -8.065 13.949 1.00 43.09 C ATOM 1372 H PHE A 185 -19.459 -10.847 15.990 1.00 0.00 H ATOM 1373 N ASN A 186 -19.507 -14.337 13.387 1.00 38.46 N ATOM 1374 CA ASN A 186 -18.720 -15.468 12.958 1.00 38.16 C ATOM 1375 C ASN A 186 -18.288 -15.197 11.518 1.00 42.53 C ATOM 1376 O ASN A 186 -19.131 -15.128 10.621 1.00 40.65 O ATOM 1377 CB ASN A 186 -19.560 -16.734 13.001 1.00 41.50 C ATOM 1378 CG ASN A 186 -18.740 -17.992 12.812 1.00 66.32 C ATOM 1379 OD1 ASN A 186 -18.307 -18.338 11.709 1.00 61.89 O ATOM 1380 ND2 ASN A 186 -18.516 -18.702 13.895 1.00 58.75 N ATOM 1381 HD22 ASN A 186 -18.893 -18.386 14.811 1.00 0.00 H ATOM 1382 HD21 ASN A 186 -17.961 -19.580 13.836 1.00 0.00 H ATOM 1383 H ASN A 186 -20.484 -14.279 13.037 1.00 0.00 H ATOM 1384 N PHE A 187 -16.972 -15.068 11.310 1.00 40.11 N ATOM 1385 CA PHE A 187 -16.345 -14.794 10.011 1.00 39.61 C ATOM 1386 C PHE A 187 -16.829 -15.743 8.903 1.00 43.18 C ATOM 1387 O PHE A 187 -17.266 -15.290 7.845 1.00 41.47 O ATOM 1388 CB PHE A 187 -14.795 -14.799 10.142 1.00 40.51 C ATOM 1389 CG PHE A 187 -14.091 -14.300 8.898 1.00 42.34 C ATOM 1390 CD1 PHE A 187 -13.998 -15.100 7.759 1.00 43.66 C ATOM 1391 CD2 PHE A 187 -13.566 -13.015 8.846 1.00 44.53 C ATOM 1392 CE1 PHE A 187 -13.393 -14.625 6.595 1.00 45.64 C ATOM 1393 CE2 PHE A 187 -12.933 -12.557 7.695 1.00 45.33 C ATOM 1394 CZ PHE A 187 -12.854 -13.364 6.575 1.00 44.08 C ATOM 1395 H PHE A 187 -16.344 -15.170 12.133 1.00 0.00 H ATOM 1396 N ASP A 188 -16.756 -17.054 9.175 1.00 41.27 N ATOM 1397 CA ASP A 188 -17.124 -18.167 8.284 1.00 41.43 C ATOM 1398 C ASP A 188 -18.570 -18.182 7.830 1.00 45.06 C ATOM 1399 O ASP A 188 -18.831 -18.543 6.675 1.00 45.75 O ATOM 1400 CB ASP A 188 -16.745 -19.489 8.936 1.00 43.52 C ATOM 1401 CG ASP A 188 -15.242 -19.578 9.124 1.00 52.54 C ATOM 1402 OD1 ASP A 188 -14.509 -19.471 8.108 1.00 48.12 O ATOM 1403 OD2 ASP A 188 -14.799 -19.735 10.286 1.00 64.37 O ATOM 1404 H ASP A 188 -16.401 -17.313 10.118 1.00 0.00 H ATOM 1405 N VAL A 189 -19.496 -17.782 8.718 1.00 40.35 N ATOM 1406 CA VAL A 189 -20.931 -17.664 8.434 1.00 40.57 C ATOM 1407 C VAL A 189 -21.138 -16.492 7.447 1.00 45.85 C ATOM 1408 O VAL A 189 -21.863 -16.656 6.465 1.00 46.95 O ATOM 1409 CB VAL A 189 -21.767 -17.467 9.741 1.00 43.65 C ATOM 1410 CG1 VAL A 189 -23.218 -17.099 9.434 1.00 43.32 C ATOM 1411 CG2 VAL A 189 -21.709 -18.716 10.621 1.00 43.28 C ATOM 1412 H VAL A 189 -19.172 -17.538 9.676 1.00 0.00 H ATOM 1413 N LEU A 190 -20.505 -15.313 7.711 1.00 41.02 N ATOM 1414 CA LEU A 190 -20.637 -14.119 6.843 1.00 39.26 C ATOM 1415 C LEU A 190 -20.064 -14.398 5.461 1.00 40.28 C ATOM 1416 O LEU A 190 -20.722 -14.135 4.460 1.00 38.25 O ATOM 1417 CB LEU A 190 -19.984 -12.866 7.469 1.00 38.45 C ATOM 1418 CG LEU A 190 -20.608 -12.338 8.779 1.00 41.86 C ATOM 1419 CD1 LEU A 190 -19.740 -11.234 9.393 1.00 41.13 C ATOM 1420 CD2 LEU A 190 -22.048 -11.833 8.579 1.00 38.86 C ATOM 1421 H LEU A 190 -19.904 -15.249 8.557 1.00 0.00 H ATOM 1422 N SER A 191 -18.868 -14.998 5.437 1.00 37.69 N ATOM 1423 CA SER A 191 -18.118 -15.399 4.252 1.00 39.54 C ATOM 1424 C SER A 191 -18.941 -16.274 3.269 1.00 44.16 C ATOM 1425 O SER A 191 -18.924 -15.985 2.075 1.00 41.80 O ATOM 1426 CB SER A 191 -16.809 -16.077 4.661 1.00 43.73 C ATOM 1427 OG SER A 191 -16.243 -16.785 3.573 1.00 54.80 O ATOM 1428 HG SER A 191 -16.057 -16.155 2.832 1.00 0.00 H ATOM 1429 H SER A 191 -18.428 -15.199 6.358 1.00 0.00 H ATOM 1430 N GLU A 192 -19.690 -17.300 3.764 1.00 42.99 N ATOM 1431 CA GLU A 192 -20.510 -18.141 2.861 1.00 43.55 C ATOM 1432 C GLU A 192 -21.572 -17.330 2.162 1.00 47.39 C ATOM 1433 O GLU A 192 -21.759 -17.485 0.951 1.00 46.95 O ATOM 1434 CB GLU A 192 -21.106 -19.423 3.515 1.00 45.32 C ATOM 1435 CG GLU A 192 -21.940 -19.263 4.786 1.00 60.18 C ATOM 1436 CD GLU A 192 -23.431 -18.947 4.736 1.00 81.45 C ATOM 1437 OE1 GLU A 192 -24.032 -18.962 3.634 1.00 78.34 O ATOM 1438 OE2 GLU A 192 -24.002 -18.689 5.823 1.00 56.81 O ATOM 1439 H GLU A 192 -19.686 -17.494 4.786 1.00 0.00 H ATOM 1440 N ARG A 193 -22.224 -16.419 2.909 1.00 44.61 N ATOM 1441 CA ARG A 193 -23.271 -15.551 2.376 1.00 43.60 C ATOM 1442 C ARG A 193 -22.733 -14.497 1.402 1.00 44.34 C ATOM 1443 O ARG A 193 -23.354 -14.257 0.370 1.00 43.09 O ATOM 1444 CB ARG A 193 -24.080 -14.909 3.513 1.00 44.55 C ATOM 1445 CG ARG A 193 -25.427 -14.307 3.062 1.00 64.04 C ATOM 1446 CD ARG A 193 -26.453 -15.346 2.603 1.00 81.20 C ATOM 1447 NE ARG A 193 -26.861 -16.249 3.683 1.00 90.15 N ATOM 1448 CZ ARG A 193 -28.121 -16.455 4.056 1.00100.84 C ATOM 1449 NH1 ARG A 193 -29.115 -15.824 3.442 1.00 89.15 N ATOM 1450 NH2 ARG A 193 -28.397 -17.291 5.048 1.00 80.37 N ATOM 1451 HE ARG A 193 -26.115 -16.764 4.192 1.00 0.00 H ATOM 1452 HH12 ARG A 193 -30.098 -15.990 3.739 1.00 0.00 H ATOM 1453 HH11 ARG A 193 -28.911 -15.164 2.665 1.00 0.00 H ATOM 1454 HH22 ARG A 193 -29.384 -17.449 5.336 1.00 0.00 H ATOM 1455 HH21 ARG A 193 -27.627 -17.789 5.538 1.00 0.00 H ATOM 1456 H ARG A 193 -21.970 -16.329 3.913 1.00 0.00 H ATOM 1457 N LEU A 194 -21.592 -13.868 1.728 1.00 40.50 N ATOM 1458 CA LEU A 194 -21.005 -12.840 0.853 1.00 39.54 C ATOM 1459 C LEU A 194 -20.453 -13.447 -0.436 1.00 42.81 C ATOM 1460 O LEU A 194 -20.518 -12.806 -1.496 1.00 42.21 O ATOM 1461 CB LEU A 194 -19.967 -11.975 1.599 1.00 38.84 C ATOM 1462 CG LEU A 194 -20.521 -11.203 2.830 1.00 41.22 C ATOM 1463 CD1 LEU A 194 -19.415 -10.555 3.635 1.00 39.28 C ATOM 1464 CD2 LEU A 194 -21.609 -10.205 2.431 1.00 40.85 C ATOM 1465 H LEU A 194 -21.113 -14.113 2.618 1.00 0.00 H ATOM 1466 N GLN A 195 -19.958 -14.708 -0.346 1.00 38.75 N ATOM 1467 CA GLN A 195 -19.454 -15.465 -1.488 1.00 40.41 C ATOM 1468 C GLN A 195 -20.622 -15.669 -2.453 1.00 44.01 C ATOM 1469 O GLN A 195 -20.505 -15.357 -3.627 1.00 43.08 O ATOM 1470 CB GLN A 195 -18.917 -16.836 -1.046 1.00 42.42 C ATOM 1471 CG GLN A 195 -17.421 -16.863 -0.965 1.00 54.08 C ATOM 1472 CD GLN A 195 -16.824 -18.123 -1.521 1.00 66.36 C ATOM 1473 OE1 GLN A 195 -16.593 -19.074 -0.779 1.00 56.73 O ATOM 1474 NE2 GLN A 195 -16.549 -18.150 -2.838 1.00 53.98 N ATOM 1475 HE22 GLN A 195 -16.761 -17.322 -3.431 1.00 0.00 H ATOM 1476 HE21 GLN A 195 -16.125 -18.999 -3.263 1.00 0.00 H ATOM 1477 H GLN A 195 -19.937 -15.161 0.590 1.00 0.00 H ATOM 1478 N GLU A 196 -21.757 -16.143 -1.925 1.00 42.47 N ATOM 1479 CA GLU A 196 -22.980 -16.369 -2.679 1.00 42.75 C ATOM 1480 C GLU A 196 -23.507 -15.090 -3.358 1.00 45.14 C ATOM 1481 O GLU A 196 -23.909 -15.158 -4.521 1.00 45.49 O ATOM 1482 CB GLU A 196 -24.028 -16.983 -1.773 1.00 44.25 C ATOM 1483 CG GLU A 196 -25.095 -17.771 -2.515 1.00 58.67 C ATOM 1484 CD GLU A 196 -26.065 -18.532 -1.627 1.00 83.50 C ATOM 1485 OE1 GLU A 196 -25.936 -18.462 -0.380 1.00 74.88 O ATOM 1486 OE2 GLU A 196 -26.959 -19.206 -2.190 1.00 84.22 O ATOM 1487 H GLU A 196 -21.765 -16.364 -0.909 1.00 0.00 H ATOM 1488 N SER A 197 -23.491 -13.938 -2.650 1.00 39.96 N ATOM 1489 CA SER A 197 -23.936 -12.645 -3.181 1.00 38.43 C ATOM 1490 C SER A 197 -23.027 -12.229 -4.353 1.00 44.15 C ATOM 1491 O SER A 197 -23.541 -11.830 -5.404 1.00 43.18 O ATOM 1492 CB SER A 197 -23.947 -11.586 -2.088 1.00 40.64 C ATOM 1493 OG SER A 197 -24.746 -12.002 -0.989 1.00 47.60 O ATOM 1494 HG SER A 197 -24.380 -12.843 -0.616 1.00 0.00 H ATOM 1495 H SER A 197 -23.142 -13.971 -1.671 1.00 0.00 H ATOM 1496 N ALA A 198 -21.675 -12.406 -4.193 1.00 40.90 N ATOM 1497 CA ALA A 198 -20.667 -12.099 -5.209 1.00 39.96 C ATOM 1498 C ALA A 198 -20.856 -12.978 -6.440 1.00 45.90 C ATOM 1499 O ALA A 198 -20.695 -12.480 -7.558 1.00 44.20 O ATOM 1500 CB ALA A 198 -19.267 -12.284 -4.647 1.00 40.28 C ATOM 1501 H ALA A 198 -21.343 -12.786 -3.284 1.00 0.00 H ATOM 1502 N PHE A 199 -21.193 -14.285 -6.235 1.00 44.35 N ATOM 1503 CA PHE A 199 -21.452 -15.222 -7.329 1.00 44.60 C ATOM 1504 C PHE A 199 -22.789 -14.896 -8.019 1.00 50.26 C ATOM 1505 O PHE A 199 -22.856 -14.902 -9.246 1.00 49.96 O ATOM 1506 CB PHE A 199 -21.395 -16.692 -6.853 1.00 46.35 C ATOM 1507 CG PHE A 199 -21.780 -17.696 -7.924 1.00 47.86 C ATOM 1508 CD1 PHE A 199 -20.824 -18.215 -8.790 1.00 51.05 C ATOM 1509 CD2 PHE A 199 -23.102 -18.111 -8.071 1.00 49.81 C ATOM 1510 CE1 PHE A 199 -21.186 -19.120 -9.798 1.00 51.57 C ATOM 1511 CE2 PHE A 199 -23.467 -19.007 -9.086 1.00 52.73 C ATOM 1512 CZ PHE A 199 -22.506 -19.501 -9.945 1.00 50.72 C ATOM 1513 H PHE A 199 -21.269 -14.630 -5.257 1.00 0.00 H ATOM 1514 N LEU A 200 -23.843 -14.631 -7.241 1.00 48.55 N ATOM 1515 CA LEU A 200 -25.166 -14.326 -7.792 1.00 49.82 C ATOM 1516 C LEU A 200 -25.233 -13.023 -8.580 1.00 55.76 C ATOM 1517 O LEU A 200 -26.065 -12.902 -9.494 1.00 55.12 O ATOM 1518 CB LEU A 200 -26.229 -14.266 -6.681 1.00 50.16 C ATOM 1519 CG LEU A 200 -26.801 -15.596 -6.186 1.00 54.82 C ATOM 1520 CD1 LEU A 200 -27.535 -15.397 -4.876 1.00 55.38 C ATOM 1521 CD2 LEU A 200 -27.718 -16.230 -7.226 1.00 54.99 C ATOM 1522 H LEU A 200 -23.720 -14.642 -6.208 1.00 0.00 H ATOM 1523 N LEU A 201 -24.389 -12.040 -8.217 1.00 51.85 N ATOM 1524 CA LEU A 201 -24.458 -10.748 -8.881 1.00 50.84 C ATOM 1525 C LEU A 201 -23.451 -10.562 -10.008 1.00 54.84 C ATOM 1526 O LEU A 201 -23.862 -10.046 -11.043 1.00 54.47 O ATOM 1527 CB LEU A 201 -24.398 -9.609 -7.863 1.00 50.16 C ATOM 1528 CG LEU A 201 -25.735 -9.419 -7.147 1.00 54.45 C ATOM 1529 CD1 LEU A 201 -25.565 -9.415 -5.663 1.00 55.35 C ATOM 1530 CD2 LEU A 201 -26.473 -8.200 -7.638 1.00 55.04 C ATOM 1531 H LEU A 201 -23.690 -12.204 -7.464 1.00 0.00 H ATOM 1532 N LYS A 202 -22.165 -10.982 -9.832 1.00 51.35 N ATOM 1533 CA LYS A 202 -21.068 -10.869 -10.810 1.00 51.66 C ATOM 1534 C LYS A 202 -20.542 -9.442 -10.921 1.00 57.33 C ATOM 1535 O LYS A 202 -21.325 -8.504 -10.800 1.00 57.90 O ATOM 1536 CB LYS A 202 -21.452 -11.406 -12.212 1.00 54.64 C ATOM 1537 H LYS A 202 -21.936 -11.425 -8.919 1.00 0.00 H ATOM 1538 N ASN A 203 -19.207 -9.278 -11.158 1.00 53.88 N ATOM 1539 CA ASN A 203 -18.517 -7.978 -11.297 1.00 53.19 C ATOM 1540 C ASN A 203 -18.681 -7.104 -10.047 1.00 55.66 C ATOM 1541 O ASN A 203 -18.728 -5.872 -10.116 1.00 57.57 O ATOM 1542 CB ASN A 203 -18.952 -7.239 -12.584 1.00 53.12 C ATOM 1543 CG ASN A 203 -18.553 -7.947 -13.853 1.00 66.75 C ATOM 1544 OD1 ASN A 203 -17.369 -8.205 -14.113 1.00 58.88 O ATOM 1545 ND2 ASN A 203 -19.539 -8.278 -14.665 1.00 56.62 N ATOM 1546 HD22 ASN A 203 -20.521 -8.045 -14.413 1.00 0.00 H ATOM 1547 HD21 ASN A 203 -19.334 -8.772 -15.557 1.00 0.00 H ATOM 1548 H ASN A 203 -18.629 -10.138 -11.248 1.00 0.00 H ATOM 1549 N LEU A 204 -18.768 -7.761 -8.905 1.00 48.60 N ATOM 1550 CA LEU A 204 -18.954 -7.127 -7.623 1.00 47.55 C ATOM 1551 C LEU A 204 -17.951 -7.727 -6.661 1.00 49.09 C ATOM 1552 O LEU A 204 -18.064 -8.901 -6.295 1.00 49.32 O ATOM 1553 CB LEU A 204 -20.425 -7.351 -7.162 1.00 47.58 C ATOM 1554 CG LEU A 204 -20.827 -6.885 -5.763 1.00 50.76 C ATOM 1555 CD1 LEU A 204 -20.629 -5.385 -5.592 1.00 48.91 C ATOM 1556 CD2 LEU A 204 -22.279 -7.316 -5.445 1.00 52.41 C ATOM 1557 H LEU A 204 -18.698 -8.798 -8.932 1.00 0.00 H ATOM 1558 N LYS A 205 -16.955 -6.920 -6.278 1.00 42.68 N ATOM 1559 CA LYS A 205 -15.904 -7.320 -5.367 1.00 40.79 C ATOM 1560 C LYS A 205 -16.375 -7.137 -3.904 1.00 44.27 C ATOM 1561 O LYS A 205 -16.582 -6.011 -3.424 1.00 44.15 O ATOM 1562 CB LYS A 205 -14.615 -6.525 -5.653 1.00 42.27 C ATOM 1563 CG LYS A 205 -13.388 -7.078 -4.937 1.00 57.25 C ATOM 1564 CD LYS A 205 -12.365 -5.993 -4.617 1.00 63.82 C ATOM 1565 CE LYS A 205 -11.050 -6.579 -4.166 1.00 69.79 C ATOM 1566 NZ LYS A 205 -10.015 -5.530 -3.950 1.00 73.90 N ATOM 1567 HZ1 LYS A 205 -9.854 -5.016 -4.839 1.00 0.00 H ATOM 1568 HZ2 LYS A 205 -10.343 -4.867 -3.219 1.00 0.00 H ATOM 1569 HZ3 LYS A 205 -9.129 -5.978 -3.641 1.00 0.00 H ATOM 1570 H LYS A 205 -16.935 -5.951 -6.656 1.00 0.00 H ATOM 1571 N ILE A 206 -16.545 -8.248 -3.205 1.00 38.98 N ATOM 1572 CA ILE A 206 -16.972 -8.188 -1.819 1.00 37.54 C ATOM 1573 C ILE A 206 -15.801 -8.508 -0.941 1.00 41.95 C ATOM 1574 O ILE A 206 -15.205 -9.567 -1.090 1.00 42.19 O ATOM 1575 CB ILE A 206 -18.205 -9.083 -1.520 1.00 39.31 C ATOM 1576 CG1 ILE A 206 -19.384 -8.750 -2.494 1.00 38.85 C ATOM 1577 CG2 ILE A 206 -18.597 -8.939 -0.054 1.00 37.68 C ATOM 1578 CD1 ILE A 206 -20.810 -9.304 -2.150 1.00 39.25 C ATOM 1579 H ILE A 206 -16.371 -9.171 -3.652 1.00 0.00 H ATOM 1580 N THR A 207 -15.435 -7.601 -0.046 1.00 38.17 N ATOM 1581 CA THR A 207 -14.336 -7.941 0.830 1.00 38.38 C ATOM 1582 C THR A 207 -14.846 -8.057 2.244 1.00 38.91 C ATOM 1583 O THR A 207 -15.654 -7.253 2.692 1.00 36.92 O ATOM 1584 CB THR A 207 -13.062 -7.065 0.689 1.00 51.73 C ATOM 1585 OG1 THR A 207 -13.223 -5.826 1.355 1.00 60.15 O ATOM 1586 CG2 THR A 207 -12.610 -6.865 -0.746 1.00 48.86 C ATOM 1587 HG1 THR A 207 -13.990 -5.338 0.962 1.00 0.00 H ATOM 1588 H THR A 207 -15.918 -6.683 0.023 1.00 0.00 H ATOM 1589 N LEU A 208 -14.386 -9.083 2.931 1.00 35.89 N ATOM 1590 CA LEU A 208 -14.738 -9.305 4.320 1.00 35.60 C ATOM 1591 C LEU A 208 -13.442 -9.192 5.104 1.00 41.36 C ATOM 1592 O LEU A 208 -12.416 -9.738 4.688 1.00 40.00 O ATOM 1593 CB LEU A 208 -15.462 -10.637 4.534 1.00 34.85 C ATOM 1594 CG LEU A 208 -15.755 -11.087 5.992 1.00 40.01 C ATOM 1595 CD1 LEU A 208 -16.662 -10.120 6.735 1.00 39.79 C ATOM 1596 CD2 LEU A 208 -16.427 -12.443 5.992 1.00 42.34 C ATOM 1597 H LEU A 208 -13.748 -9.757 2.461 1.00 0.00 H ATOM 1598 N ASN A 209 -13.480 -8.439 6.209 1.00 38.39 N ATOM 1599 CA ASN A 209 -12.317 -8.221 7.059 1.00 38.72 C ATOM 1600 C ASN A 209 -12.666 -8.397 8.512 1.00 42.67 C ATOM 1601 O ASN A 209 -13.763 -8.033 8.930 1.00 42.38 O ATOM 1602 CB ASN A 209 -11.797 -6.790 6.879 1.00 42.17 C ATOM 1603 CG ASN A 209 -11.493 -6.402 5.468 1.00 78.86 C ATOM 1604 OD1 ASN A 209 -12.395 -6.112 4.667 1.00 79.13 O ATOM 1605 ND2 ASN A 209 -10.210 -6.376 5.149 1.00 71.61 N ATOM 1606 HD22 ASN A 209 -9.493 -6.628 5.858 1.00 0.00 H ATOM 1607 HD21 ASN A 209 -9.918 -6.103 4.189 1.00 0.00 H ATOM 1608 H ASN A 209 -14.380 -7.989 6.473 1.00 0.00 H ATOM 1609 N ASP A 210 -11.722 -8.909 9.294 1.00 40.54 N ATOM 1610 CA ASP A 210 -11.907 -9.083 10.737 1.00 40.51 C ATOM 1611 C ASP A 210 -10.737 -8.398 11.419 1.00 45.78 C ATOM 1612 O ASP A 210 -9.588 -8.790 11.205 1.00 44.58 O ATOM 1613 CB ASP A 210 -11.995 -10.569 11.119 1.00 41.79 C ATOM 1614 CG ASP A 210 -12.597 -10.861 12.477 1.00 48.71 C ATOM 1615 OD1 ASP A 210 -12.515 -9.990 13.369 1.00 47.09 O ATOM 1616 OD2 ASP A 210 -13.147 -11.968 12.654 1.00 61.92 O ATOM 1617 H ASP A 210 -10.819 -9.197 8.866 1.00 0.00 H ATOM 1618 N LEU A 211 -11.035 -7.346 12.206 1.00 44.69 N ATOM 1619 CA LEU A 211 -10.037 -6.543 12.937 1.00 45.08 C ATOM 1620 C LEU A 211 -9.817 -7.010 14.374 1.00 49.75 C ATOM 1621 O LEU A 211 -8.839 -6.582 14.990 1.00 51.51 O ATOM 1622 CB LEU A 211 -10.382 -5.020 12.912 1.00 44.32 C ATOM 1623 CG LEU A 211 -10.500 -4.339 11.525 1.00 48.20 C ATOM 1624 CD1 LEU A 211 -10.689 -2.816 11.656 1.00 47.12 C ATOM 1625 CD2 LEU A 211 -9.309 -4.676 10.603 1.00 48.03 C ATOM 1626 H LEU A 211 -12.036 -7.082 12.305 1.00 0.00 H ATOM 1627 N ARG A 212 -10.713 -7.862 14.905 1.00 44.47 N ATOM 1628 CA ARG A 212 -10.654 -8.386 16.281 1.00 44.18 C ATOM 1629 C ARG A 212 -9.258 -8.983 16.657 1.00 49.87 C ATOM 1630 O ARG A 212 -8.635 -9.670 15.852 1.00 47.42 O ATOM 1631 CB ARG A 212 -11.808 -9.376 16.548 1.00 39.61 C ATOM 1632 CG ARG A 212 -13.200 -8.692 16.532 1.00 46.42 C ATOM 1633 CD ARG A 212 -14.423 -9.620 16.626 1.00 43.58 C ATOM 1634 NE ARG A 212 -14.478 -10.566 15.508 1.00 49.26 N ATOM 1635 CZ ARG A 212 -15.382 -11.530 15.380 1.00 61.33 C ATOM 1636 NH1 ARG A 212 -16.328 -11.686 16.293 1.00 48.66 N ATOM 1637 NH2 ARG A 212 -15.349 -12.345 14.332 1.00 47.46 N ATOM 1638 HE ARG A 212 -13.758 -10.476 14.763 1.00 0.00 H ATOM 1639 HH12 ARG A 212 -17.033 -12.443 16.187 1.00 0.00 H ATOM 1640 HH11 ARG A 212 -16.366 -11.052 17.116 1.00 0.00 H ATOM 1641 HH22 ARG A 212 -16.060 -13.098 14.237 1.00 0.00 H ATOM 1642 HH21 ARG A 212 -14.613 -12.230 13.607 1.00 0.00 H ATOM 1643 H ARG A 212 -11.502 -8.172 14.302 1.00 0.00 H ATOM 1644 N SER A 213 -8.765 -8.648 17.862 1.00 50.24 N ATOM 1645 CA SER A 213 -7.469 -9.084 18.413 1.00 52.15 C ATOM 1646 C SER A 213 -7.285 -10.609 18.406 1.00 56.85 C ATOM 1647 O SER A 213 -8.082 -11.316 19.026 1.00 57.33 O ATOM 1648 CB SER A 213 -7.295 -8.556 19.836 1.00 57.53 C ATOM 1649 OG SER A 213 -7.519 -7.155 19.909 1.00 71.81 O ATOM 1650 HG SER A 213 -7.398 -6.851 20.843 1.00 0.00 H ATOM 1651 H SER A 213 -9.349 -8.027 18.458 1.00 0.00 H ATOM 1652 N GLY A 214 -6.262 -11.084 17.684 1.00 53.18 N ATOM 1653 CA GLY A 214 -5.914 -12.503 17.574 1.00 53.56 C ATOM 1654 C GLY A 214 -6.638 -13.340 16.527 1.00 58.87 C ATOM 1655 O GLY A 214 -6.203 -14.456 16.225 1.00 59.09 O ATOM 1656 H GLY A 214 -5.675 -10.399 17.166 1.00 0.00 H ATOM 1657 N LYS A 215 -7.738 -12.831 15.963 1.00 54.65 N ATOM 1658 CA LYS A 215 -8.500 -13.579 14.961 1.00 54.38 C ATOM 1659 C LYS A 215 -8.619 -12.830 13.626 1.00 56.74 C ATOM 1660 O LYS A 215 -9.579 -13.033 12.889 1.00 55.10 O ATOM 1661 CB LYS A 215 -9.883 -14.018 15.514 1.00 56.08 C ATOM 1662 CG LYS A 215 -10.732 -12.913 16.120 1.00 57.70 C ATOM 1663 CD LYS A 215 -12.136 -13.384 16.502 1.00 63.63 C ATOM 1664 CE LYS A 215 -12.257 -13.902 17.919 1.00 63.37 C ATOM 1665 NZ LYS A 215 -13.681 -14.094 18.320 1.00 68.14 N ATOM 1666 HZ1 LYS A 215 -14.182 -13.185 18.261 1.00 0.00 H ATOM 1667 HZ2 LYS A 215 -14.130 -14.781 17.681 1.00 0.00 H ATOM 1668 HZ3 LYS A 215 -13.720 -14.450 19.297 1.00 0.00 H ATOM 1669 H LYS A 215 -8.060 -11.882 16.242 1.00 0.00 H ATOM 1670 N GLU A 216 -7.620 -11.987 13.320 1.00 53.14 N ATOM 1671 CA GLU A 216 -7.562 -11.176 12.117 1.00 53.11 C ATOM 1672 C GLU A 216 -7.509 -12.020 10.848 1.00 57.70 C ATOM 1673 O GLU A 216 -6.683 -12.930 10.740 1.00 57.71 O ATOM 1674 CB GLU A 216 -6.402 -10.161 12.182 1.00 54.41 C ATOM 1675 H GLU A 216 -6.831 -11.909 13.993 1.00 0.00 H ATOM 1676 N ARG A 217 -8.415 -11.721 9.903 1.00 52.78 N ATOM 1677 CA ARG A 217 -8.549 -12.409 8.623 1.00 51.97 C ATOM 1678 C ARG A 217 -9.016 -11.452 7.533 1.00 55.06 C ATOM 1679 O ARG A 217 -9.734 -10.496 7.812 1.00 55.45 O ATOM 1680 CB ARG A 217 -9.600 -13.522 8.748 1.00 51.71 C ATOM 1681 CG ARG A 217 -9.093 -14.857 9.250 1.00 59.50 C ATOM 1682 CD ARG A 217 -10.222 -15.874 9.310 1.00 59.55 C ATOM 1683 NE ARG A 217 -10.578 -16.373 7.979 1.00 49.73 N ATOM 1684 CZ ARG A 217 -11.446 -17.351 7.759 1.00 58.16 C ATOM 1685 NH1 ARG A 217 -12.081 -17.928 8.774 1.00 43.32 N ATOM 1686 NH2 ARG A 217 -11.704 -17.750 6.522 1.00 43.37 N ATOM 1687 HE ARG A 217 -10.121 -15.932 7.155 1.00 0.00 H ATOM 1688 HH12 ARG A 217 -12.760 -18.695 8.594 1.00 0.00 H ATOM 1689 HH11 ARG A 217 -11.898 -17.613 9.748 1.00 0.00 H ATOM 1690 HH22 ARG A 217 -12.386 -18.517 6.355 1.00 0.00 H ATOM 1691 HH21 ARG A 217 -11.225 -17.296 5.718 1.00 0.00 H ATOM 1692 H ARG A 217 -9.072 -10.939 10.098 1.00 0.00 H ATOM 1693 N GLN A 218 -8.656 -11.735 6.292 1.00 51.09 N ATOM 1694 CA GLN A 218 -9.080 -10.920 5.156 1.00 50.84 C ATOM 1695 C GLN A 218 -9.352 -11.814 3.956 1.00 53.19 C ATOM 1696 O GLN A 218 -8.531 -12.652 3.581 1.00 51.60 O ATOM 1697 CB GLN A 218 -8.052 -9.830 4.816 1.00 52.40 C ATOM 1698 CG GLN A 218 -8.535 -8.820 3.767 1.00 76.40 C ATOM 1699 CD GLN A 218 -7.693 -8.815 2.511 1.00101.78 C ATOM 1700 OE1 GLN A 218 -6.487 -8.530 2.533 1.00 97.84 O ATOM 1701 NE2 GLN A 218 -8.318 -9.123 1.381 1.00 93.73 N ATOM 1702 HE22 GLN A 218 -9.331 -9.358 1.394 1.00 0.00 H ATOM 1703 HE21 GLN A 218 -7.795 -9.129 0.482 1.00 0.00 H ATOM 1704 H GLN A 218 -8.052 -12.564 6.120 1.00 0.00 H ATOM 1705 N GLU A 219 -10.520 -11.638 3.366 1.00 49.68 N ATOM 1706 CA GLU A 219 -10.919 -12.383 2.191 1.00 48.82 C ATOM 1707 C GLU A 219 -11.601 -11.441 1.236 1.00 53.33 C ATOM 1708 O GLU A 219 -12.096 -10.390 1.644 1.00 52.86 O ATOM 1709 CB GLU A 219 -11.813 -13.575 2.563 1.00 49.89 C ATOM 1710 CG GLU A 219 -11.001 -14.822 2.865 1.00 56.40 C ATOM 1711 CD GLU A 219 -11.757 -16.063 3.292 1.00 72.46 C ATOM 1712 OE1 GLU A 219 -12.949 -16.201 2.932 1.00 62.39 O ATOM 1713 OE2 GLU A 219 -11.144 -16.906 3.986 1.00 58.02 O ATOM 1714 H GLU A 219 -11.179 -10.937 3.761 1.00 0.00 H ATOM 1715 N HIS A 220 -11.601 -11.812 -0.033 1.00 51.20 N ATOM 1716 CA HIS A 220 -12.227 -11.080 -1.112 1.00 53.07 C ATOM 1717 C HIS A 220 -12.856 -12.090 -2.035 1.00 54.41 C ATOM 1718 O HIS A 220 -12.340 -13.204 -2.162 1.00 53.69 O ATOM 1719 CB HIS A 220 -11.246 -10.140 -1.843 1.00 55.96 C ATOM 1720 CG HIS A 220 -9.929 -10.758 -2.198 1.00 61.01 C ATOM 1721 ND1 HIS A 220 -9.632 -11.121 -3.502 1.00 63.61 N ATOM 1722 CD2 HIS A 220 -8.866 -11.044 -1.408 1.00 63.68 C ATOM 1723 CE1 HIS A 220 -8.408 -11.628 -3.462 1.00 63.40 C ATOM 1724 NE2 HIS A 220 -7.906 -11.600 -2.225 1.00 63.82 N ATOM 1725 H HIS A 220 -11.113 -12.698 -0.274 1.00 0.00 H ATOM 1726 N TYR A 221 -14.001 -11.725 -2.635 1.00 49.38 N ATOM 1727 CA TYR A 221 -14.774 -12.578 -3.537 1.00 48.06 C ATOM 1728 C TYR A 221 -15.216 -11.755 -4.715 1.00 51.75 C ATOM 1729 O TYR A 221 -15.696 -10.634 -4.534 1.00 51.87 O ATOM 1730 CB TYR A 221 -16.006 -13.168 -2.816 1.00 48.47 C ATOM 1731 CG TYR A 221 -15.758 -13.554 -1.374 1.00 50.13 C ATOM 1732 CD1 TYR A 221 -14.987 -14.670 -1.049 1.00 51.54 C ATOM 1733 CD2 TYR A 221 -16.280 -12.796 -0.333 1.00 51.27 C ATOM 1734 CE1 TYR A 221 -14.756 -15.027 0.279 1.00 51.15 C ATOM 1735 CE2 TYR A 221 -16.059 -13.144 0.996 1.00 52.46 C ATOM 1736 CZ TYR A 221 -15.291 -14.255 1.298 1.00 60.07 C ATOM 1737 OH TYR A 221 -15.066 -14.562 2.615 1.00 61.30 O ATOM 1738 HH TYR A 221 -14.505 -15.376 2.672 1.00 0.00 H ATOM 1739 H TYR A 221 -14.363 -10.769 -2.445 1.00 0.00 H ATOM 1740 N HIS A 222 -15.046 -12.306 -5.922 1.00 47.51 N ATOM 1741 CA HIS A 222 -15.385 -11.666 -7.190 1.00 47.41 C ATOM 1742 C HIS A 222 -15.481 -12.726 -8.280 1.00 48.55 C ATOM 1743 O HIS A 222 -14.541 -13.493 -8.485 1.00 48.42 O ATOM 1744 CB HIS A 222 -14.341 -10.585 -7.561 1.00 49.16 C ATOM 1745 CG HIS A 222 -14.711 -9.765 -8.753 1.00 53.89 C ATOM 1746 ND1 HIS A 222 -14.356 -10.153 -10.037 1.00 56.69 N ATOM 1747 CD2 HIS A 222 -15.404 -8.605 -8.825 1.00 56.61 C ATOM 1748 CE1 HIS A 222 -14.833 -9.216 -10.842 1.00 56.24 C ATOM 1749 NE2 HIS A 222 -15.466 -8.261 -10.159 1.00 56.59 N ATOM 1750 H HIS A 222 -14.641 -13.263 -5.960 1.00 0.00 H ATOM 1751 N TYR A 223 -16.628 -12.760 -8.965 1.00 43.44 N ATOM 1752 CA TYR A 223 -16.955 -13.668 -10.062 1.00 59.36 C ATOM 1753 C TYR A 223 -17.300 -12.850 -11.306 1.00 99.99 C ATOM 1754 O TYR A 223 -16.401 -12.444 -12.036 1.00 72.68 O ATOM 1755 CB TYR A 223 -18.153 -14.548 -9.684 1.00 59.94 C ATOM 1756 CG TYR A 223 -17.866 -15.537 -8.576 1.00 60.94 C ATOM 1757 CD1 TYR A 223 -18.018 -15.181 -7.235 1.00 61.04 C ATOM 1758 CD2 TYR A 223 -17.460 -16.838 -8.864 1.00 62.63 C ATOM 1759 CE1 TYR A 223 -17.787 -16.100 -6.212 1.00 61.48 C ATOM 1760 CE2 TYR A 223 -17.210 -17.761 -7.847 1.00 62.77 C ATOM 1761 CZ TYR A 223 -17.387 -17.390 -6.524 1.00 67.43 C ATOM 1762 OH TYR A 223 -17.152 -18.300 -5.527 1.00 69.47 O ATOM 1763 HH TYR A 223 -17.324 -17.877 -4.649 1.00 0.00 H ATOM 1764 H TYR A 223 -17.359 -12.073 -8.690 1.00 0.00 H TER 1765 TYR A 223 HETATM 1766 O HOH 1 -26.072 -0.275 3.037 1.00 38.41 O HETATM 1767 O HOH 2 -28.288 -12.329 1.790 1.00 55.08 O HETATM 1768 O HOH 3 -33.751 -0.367 4.095 1.00 56.43 O HETATM 1769 O HOH 4 -23.683 0.711 3.586 1.00 34.98 O HETATM 1770 O HOH 5 -22.582 0.346 -13.058 1.00 53.59 O HETATM 1771 O HOH 6 -14.420 -4.810 -2.276 1.00 47.26 O HETATM 1772 O HOH 7 -13.384 -0.551 17.121 1.00 46.63 O HETATM 1773 O HOH 8 -24.668 4.315 -1.620 1.00 33.11 O HETATM 1774 O HOH 9 -31.429 13.038 5.535 1.00 54.02 O HETATM 1775 O HOH 10 -32.183 17.251 4.663 1.00 52.49 O HETATM 1776 O HOH 11 -31.747 12.674 8.426 1.00 47.28 O HETATM 1777 O HOH 12 -38.982 3.071 5.617 1.00 53.71 O HETATM 1778 O HOH 13 -20.836 4.254 9.472 1.00 42.31 O HETATM 1779 O HOH 14 -27.643 14.502 -6.176 1.00 60.25 O HETATM 1780 O HOH 15 -24.098 6.413 17.881 1.00 52.03 O HETATM 1781 O HOH 16 -24.462 20.348 9.101 1.00 47.03 O HETATM 1782 O HOH 17 -16.745 6.332 -5.588 1.00 54.75 O HETATM 1783 O HOH 18 -12.298 -21.355 11.073 1.00 37.31 O HETATM 1784 O HOH 19 -15.843 -23.178 8.176 1.00 49.79 O HETATM 1785 O HOH 20 -11.920 -14.366 12.695 1.00 46.86 O HETATM 1786 C1 NOV A 21 -30.315 2.217 3.221 1.00 0.04 C HETATM 1787 O1 NOV A 21 -30.479 3.137 2.147 1.00 -0.37 O HETATM 1788 C27 NOV A 21 -30.889 2.542 0.919 1.00 0.12 C HETATM 1789 C28 NOV A 21 -29.736 2.511 -0.083 1.00 0.15 C HETATM 1790 O5 NOV A 21 -28.580 1.832 0.454 1.00 -0.26 O HETATM 1791 C12 NOV A 21 -27.360 2.196 0.004 1.00 0.32 C HETATM 1792 N1 NOV A 21 -26.405 1.507 0.620 1.00 -0.28 N HETATM 1793 H NOV A 21 -25.445 1.668 0.391 1.00 0.18 H HETATM 1794 H NOV A 21 -26.646 0.828 1.313 1.00 0.18 H HETATM 1795 O4 NOV A 21 -27.176 3.047 -0.845 1.00 -0.38 O HETATM 1796 C29 NOV A 21 -30.187 1.912 -1.411 1.00 0.14 C HETATM 1797 O6 NOV A 21 -30.612 0.564 -1.280 1.00 -0.38 O HETATM 1798 H NOV A 21 -29.894 0.037 -0.949 1.00 0.21 H HETATM 1799 C30 NOV A 21 -31.296 2.767 -2.013 1.00 0.21 C HETATM 1800 O7 NOV A 21 -32.360 3.038 -1.090 1.00 -0.34 O HETATM 1801 C31 NOV A 21 -32.125 3.355 0.312 1.00 0.10 C HETATM 1802 C23 NOV A 21 -31.949 4.868 0.391 1.00 -0.03 C HETATM 1803 H NOV A 21 -32.831 5.363 -0.042 1.00 0.03 H HETATM 1804 H NOV A 21 -31.051 5.162 -0.171 1.00 0.03 H HETATM 1805 H NOV A 21 -31.838 5.170 1.443 1.00 0.03 H HETATM 1806 C26 NOV A 21 -33.391 2.936 1.038 1.00 -0.03 C HETATM 1807 H NOV A 21 -34.249 3.490 0.628 1.00 0.03 H HETATM 1808 H NOV A 21 -33.289 3.159 2.110 1.00 0.03 H HETATM 1809 H NOV A 21 -33.552 1.857 0.901 1.00 0.03 H HETATM 1810 O8 NOV A 21 -30.657 3.926 -2.510 1.00 -0.29 O HETATM 1811 C3 NOV A 21 -31.350 4.846 -3.264 1.00 0.09 C HETATM 1812 C4 NOV A 21 -30.555 5.891 -3.755 1.00 0.02 C HETATM 1813 C2 NOV A 21 -29.059 5.909 -3.528 1.00 -0.04 C HETATM 1814 H NOV A 21 -28.774 5.055 -2.896 1.00 0.03 H HETATM 1815 H NOV A 21 -28.775 6.847 -3.028 1.00 0.03 H HETATM 1816 H NOV A 21 -28.540 5.838 -4.495 1.00 0.03 H HETATM 1817 C5 NOV A 21 -31.187 6.866 -4.526 1.00 0.13 C HETATM 1818 C9 NOV A 21 -32.556 6.829 -4.809 1.00 0.02 C HETATM 1819 C10 NOV A 21 -33.317 5.784 -4.280 1.00 -0.08 C HETATM 1820 C11 NOV A 21 -32.722 4.790 -3.521 1.00 -0.05 C HETATM 1821 H NOV A 21 -33.317 3.974 -3.129 1.00 0.04 H HETATM 1822 H NOV A 21 -34.385 5.751 -4.465 1.00 0.05 H HETATM 1823 C8 NOV A 21 -33.100 7.833 -5.710 1.00 0.11 C HETATM 1824 C7 NOV A 21 -32.301 8.777 -6.298 1.00 0.17 C HETATM 1825 C6 NOV A 21 -30.820 8.807 -5.932 1.00 0.28 C HETATM 1826 O10 NOV A 21 -30.364 7.840 -5.060 1.00 -0.22 O HETATM 1827 O11 NOV A 21 -29.993 9.596 -6.325 1.00 -0.38 O HETATM 1828 N2 NOV A 21 -32.606 9.706 -7.320 1.00 -0.24 N HETATM 1829 C13 NOV A 21 -32.810 9.356 -8.644 1.00 0.22 C HETATM 1830 O2 NOV A 21 -32.850 8.184 -9.021 1.00 -0.38 O HETATM 1831 C14 NOV A 21 -33.003 10.483 -9.612 1.00 0.04 C HETATM 1832 C15 NOV A 21 -33.492 11.725 -9.208 1.00 -0.05 C HETATM 1833 C16 NOV A 21 -33.728 12.751 -10.128 1.00 -0.00 C HETATM 1834 C17 NOV A 21 -33.469 12.502 -11.482 1.00 0.10 C HETATM 1835 O3 NOV A 21 -33.730 13.455 -12.416 1.00 -0.33 O HETATM 1836 H NOV A 21 -33.498 13.125 -13.276 1.00 0.25 H HETATM 1837 C18 NOV A 21 -32.965 11.268 -11.888 1.00 -0.03 C HETATM 1838 C19 NOV A 21 -32.732 10.271 -10.961 1.00 -0.06 C HETATM 1839 H NOV A 21 -32.335 9.316 -11.286 1.00 0.06 H HETATM 1840 H NOV A 21 -32.755 11.090 -12.936 1.00 0.05 H HETATM 1841 C20 NOV A 21 -34.217 14.118 -9.678 1.00 -0.01 C HETATM 1842 C21 NOV A 21 -34.991 14.196 -8.390 1.00 -0.10 C HETATM 1843 C22 NOV A 21 -36.162 14.782 -8.172 1.00 -0.08 C HETATM 1844 C24 NOV A 21 -36.802 14.778 -6.818 1.00 -0.04 C HETATM 1845 H NOV A 21 -37.760 15.316 -6.864 1.00 0.04 H HETATM 1846 H NOV A 21 -36.137 15.274 -6.096 1.00 0.04 H HETATM 1847 H NOV A 21 -36.979 13.740 -6.499 1.00 0.04 H HETATM 1848 C25 NOV A 21 -36.963 15.478 -9.236 1.00 -0.04 C HETATM 1849 H NOV A 21 -36.420 15.433 -10.192 1.00 0.04 H HETATM 1850 H NOV A 21 -37.116 16.529 -8.951 1.00 0.04 H HETATM 1851 H NOV A 21 -37.939 14.982 -9.344 1.00 0.04 H HETATM 1852 H NOV A 21 -34.533 13.711 -7.529 1.00 0.03 H HETATM 1853 H NOV A 21 -34.864 14.514 -10.475 1.00 0.05 H HETATM 1854 H NOV A 21 -33.333 14.764 -9.569 1.00 0.05 H HETATM 1855 H NOV A 21 -33.694 11.899 -8.157 1.00 0.06 H HETATM 1856 H NOV A 21 -32.678 10.672 -7.072 1.00 0.22 H HETATM 1857 O9 NOV A 21 -34.415 7.787 -5.884 1.00 -0.35 O HETATM 1858 H NOV A 21 -34.773 7.059 -5.390 1.00 0.24 H HETATM 1859 H NOV A 21 -31.737 2.223 -2.861 1.00 0.10 H HETATM 1860 H NOV A 21 -29.328 1.928 -2.098 1.00 0.07 H HETATM 1861 H NOV A 21 -29.440 3.553 -0.277 1.00 0.07 H HETATM 1862 H NOV A 21 -31.208 1.508 1.118 1.00 0.07 H HETATM 1863 H NOV A 21 -29.999 2.760 4.124 1.00 0.05 H HETATM 1864 H NOV A 21 -29.549 1.474 2.954 1.00 0.05 H HETATM 1865 H NOV A 21 -31.270 1.706 3.415 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 753 754 760 761 762 CONECT 760 753 CONECT 761 753 CONECT 762 753 CONECT 1786 1787 1863 1864 1865 CONECT 1787 1786 1788 CONECT 1788 1787 1789 1801 1862 CONECT 1789 1788 1790 1796 1861 CONECT 1790 1789 1791 CONECT 1791 1790 1792 1795 CONECT 1792 1791 1793 1794 CONECT 1793 1792 CONECT 1794 1792 CONECT 1795 1791 CONECT 1796 1789 1797 1799 1860 CONECT 1797 1796 1798 CONECT 1798 1797 CONECT 1799 1796 1800 1810 1859 CONECT 1800 1799 1801 CONECT 1801 1788 1800 1802 1806 CONECT 1802 1801 1803 1804 1805 CONECT 1803 1802 CONECT 1804 1802 CONECT 1805 1802 CONECT 1806 1801 1807 1808 1809 CONECT 1807 1806 CONECT 1808 1806 CONECT 1809 1806 CONECT 1810 1799 1811 CONECT 1811 1810 1812 1820 CONECT 1812 1811 1813 1817 CONECT 1813 1812 1814 1815 1816 CONECT 1814 1813 CONECT 1815 1813 CONECT 1816 1813 CONECT 1817 1812 1818 1826 CONECT 1818 1817 1819 1823 CONECT 1819 1818 1820 1822 CONECT 1820 1811 1819 1821 CONECT 1821 1820 CONECT 1822 1819 CONECT 1823 1818 1824 1857 CONECT 1824 1823 1825 1828 CONECT 1825 1824 1826 1827 CONECT 1826 1817 1825 CONECT 1827 1825 CONECT 1828 1824 1829 1856 CONECT 1829 1828 1830 1831 CONECT 1830 1829 CONECT 1831 1829 1832 1838 CONECT 1832 1831 1833 1855 CONECT 1833 1832 1834 1841 CONECT 1834 1833 1835 1837 CONECT 1835 1834 1836 CONECT 1836 1835 CONECT 1837 1834 1838 1840 CONECT 1838 1831 1837 1839 CONECT 1839 1838 CONECT 1840 1837 CONECT 1841 1833 1842 1853 1854 CONECT 1842 1841 1843 1852 CONECT 1843 1842 1844 1848 CONECT 1844 1843 1845 1846 1847 CONECT 1845 1844 CONECT 1846 1844 CONECT 1847 1844 CONECT 1848 1843 1849 1850 1851 CONECT 1849 1848 CONECT 1850 1848 CONECT 1851 1848 CONECT 1852 1842 CONECT 1853 1841 CONECT 1854 1841 CONECT 1855 1832 CONECT 1856 1828 CONECT 1857 1823 1858 CONECT 1858 1857 CONECT 1859 1799 CONECT 1860 1796 CONECT 1861 1789 CONECT 1862 1788 CONECT 1863 1786 CONECT 1864 1786 CONECT 1865 1786 MASTER 0 0 0 0 0 0 0 0 1863 2 88 15 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4urn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4url
RCSB PDB
PDBbind
406aa, >4URL_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aj6
RCSB PDB
PDBbind
NOV
4uro
RCSB PDB
PDBbind
NOV
Entry Information
PDB ID
4urn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
DNA TOPOISOMERASE IV, B SUBUNIT ParE24
Ligand Name
NOV
EC.Number
E.C.5.99.1.3
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
IC50=35uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Chem.Biol. Vol. 9: pp. 2023-2031
Ligand Properties
Formula
C
3
1
H
3
6
N
2
O
1
1
Molecular Weight
612.624
Exact Mass
612.232
No. of atoms
80
No. of bonds
83
Polar Surface Area
200.01
LOGP Value
3.32 (
Computed with XLOGP3
)
4.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 4
Canonical SMILES
CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@@H](OC1(C)C)Oc1ccc2c(c1C)oc(=O)c(c2O)NC(=O)c1ccc(c(c1)CC=C(C)C)O
InChI String
InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
Links to External Databases
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Pubchem
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UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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