Browse entries in the PDBbind-CN Database
HEADER 6O3Y_COMPLEX COMPND 6O3Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 147 MET ASP PHE GLN ASN PHE VAL ALA THR LEU GLU SER PHE SEQRES 2 A 147 LYS ASP LEU LYS SER GLY ILE SER GLY SER ARG ILE LYS SEQRES 3 A 147 LYS LEU THR THR TYR ALA LEU ASP HIS ILE ASP ILE GLU SEQRES 4 A 147 SER LYS ILE ILE SER LEU ILE ILE ASP TYR SER ARG LEU SEQRES 5 A 147 CYS PRO ASP SER HIS LYS LEU GLY SER LEU TYR ILE ILE SEQRES 6 A 147 ASP SER ILE GLY ARG ALA TYR LEU ASP GLU THR ARG SER SEQRES 7 A 147 ASN SER ASN SER SER SER ASN LYS PRO GLY THR CYS ALA SEQRES 8 A 147 HIS ALA ILE ASN THR LEU GLY GLU VAL ILE GLN GLU LEU SEQRES 9 A 147 LEU SER ASP ALA ILE ALA LYS SER ASN GLN ASP HIS LYS SEQRES 10 A 147 GLU LYS ILE ARG MET LEU LEU ASP ILE TRP ASP ARG SER SEQRES 11 A 147 GLY LEU PHE GLN LYS SER TYR LEU ASN ALA ILE ARG SER SEQRES 12 A 147 LYS CYS PHE ALA HET GLU A 148 110 ATOM 1 N MET A 5 44.780 124.254 0.287 1.00 24.60 N ATOM 2 CA MET A 5 45.290 122.888 0.343 1.00 24.79 C ATOM 3 C MET A 5 44.194 121.969 -0.170 1.00 30.70 C ATOM 4 O MET A 5 43.066 122.030 0.303 1.00 31.74 O ATOM 5 CB MET A 5 45.689 122.499 1.766 1.00 21.33 C ATOM 6 CG MET A 5 46.632 121.309 1.881 1.00 19.74 C ATOM 7 SD MET A 5 46.849 120.860 3.629 1.00 23.88 S ATOM 8 CE MET A 5 47.437 119.157 3.583 1.00 16.51 C ATOM 9 HN3 MET A 5 43.932 124.331 0.884 1.00 0.00 H ATOM 10 HN2 MET A 5 44.536 124.492 -0.696 1.00 0.00 H ATOM 11 HN1 MET A 5 45.510 124.910 0.633 1.00 0.00 H ATOM 12 N ASP A 6 44.499 121.140 -1.157 1.00 35.87 N ATOM 13 CA ASP A 6 43.522 120.203 -1.678 1.00 30.39 C ATOM 14 C ASP A 6 44.089 118.801 -1.548 1.00 30.47 C ATOM 15 O ASP A 6 45.235 118.608 -1.136 1.00 35.08 O ATOM 16 CB ASP A 6 43.138 120.531 -3.129 1.00 36.76 C ATOM 17 CG ASP A 6 44.293 120.360 -4.105 1.00 50.64 C ATOM 18 OD1 ASP A 6 44.642 119.208 -4.444 1.00 55.95 O ATOM 19 OD2 ASP A 6 44.842 121.389 -4.554 1.00 57.07 O ATOM 20 H ASP A 6 45.455 121.161 -1.565 1.00 0.00 H ATOM 21 N PHE A 7 43.277 117.815 -1.927 1.00 31.02 N ATOM 22 CA PHE A 7 43.644 116.442 -1.639 1.00 17.27 C ATOM 23 C PHE A 7 44.979 116.098 -2.254 1.00 24.79 C ATOM 24 O PHE A 7 45.710 115.257 -1.722 1.00 30.55 O ATOM 25 CB PHE A 7 42.580 115.486 -2.130 1.00 17.33 C ATOM 26 CG PHE A 7 42.741 114.110 -1.587 1.00 23.67 C ATOM 27 CD1 PHE A 7 42.528 113.869 -0.243 1.00 16.52 C ATOM 28 CD2 PHE A 7 43.125 113.062 -2.397 1.00 16.25 C ATOM 29 CE1 PHE A 7 42.667 112.597 0.276 1.00 27.59 C ATOM 30 CE2 PHE A 7 43.272 111.798 -1.887 1.00 19.40 C ATOM 31 CZ PHE A 7 43.039 111.561 -0.552 1.00 29.20 C ATOM 32 H PHE A 7 42.389 118.028 -2.424 1.00 0.00 H ATOM 33 N GLN A 8 45.331 116.747 -3.358 1.00 23.99 N ATOM 34 CA GLN A 8 46.623 116.443 -3.957 1.00 29.88 C ATOM 35 C GLN A 8 47.758 116.883 -3.045 1.00 30.79 C ATOM 36 O GLN A 8 48.807 116.230 -3.013 1.00 18.92 O ATOM 37 CB GLN A 8 46.746 117.106 -5.322 1.00 26.41 C ATOM 38 CG GLN A 8 45.712 116.562 -6.255 1.00 33.52 C ATOM 39 CD GLN A 8 45.633 115.054 -6.204 1.00 35.31 C ATOM 40 OE1 GLN A 8 46.654 114.359 -6.243 1.00 25.31 O ATOM 41 NE2 GLN A 8 44.410 114.537 -6.023 1.00 22.99 N ATOM 42 HE22 GLN A 8 43.580 115.163 -5.997 1.00 0.00 H ATOM 43 HE21 GLN A 8 44.291 113.510 -5.908 1.00 0.00 H ATOM 44 H GLN A 8 44.699 117.455 -3.784 1.00 0.00 H ATOM 45 N ASN A 9 47.544 117.930 -2.239 1.00 25.42 N ATOM 46 CA ASN A 9 48.591 118.314 -1.311 1.00 26.65 C ATOM 47 C ASN A 9 48.635 117.384 -0.124 1.00 34.69 C ATOM 48 O ASN A 9 49.725 117.136 0.403 1.00 32.68 O ATOM 49 CB ASN A 9 48.379 119.736 -0.795 1.00 30.60 C ATOM 50 CG ASN A 9 48.493 120.785 -1.887 1.00 34.77 C ATOM 51 OD1 ASN A 9 47.514 121.476 -2.217 1.00 23.39 O ATOM 52 ND2 ASN A 9 49.692 120.917 -2.450 1.00 34.40 N ATOM 53 HD22 ASN A 9 50.481 120.315 -2.140 1.00 0.00 H ATOM 54 HD21 ASN A 9 49.839 121.622 -3.200 1.00 0.00 H ATOM 55 H ASN A 9 46.648 118.456 -2.277 1.00 0.00 H ATOM 56 N PHE A 10 47.506 116.749 0.203 1.00 33.56 N ATOM 57 CA PHE A 10 47.524 115.707 1.217 1.00 15.30 C ATOM 58 C PHE A 10 48.333 114.522 0.711 1.00 33.35 C ATOM 59 O PHE A 10 49.247 114.045 1.389 1.00 33.98 O ATOM 60 CB PHE A 10 46.092 115.297 1.568 1.00 21.75 C ATOM 61 CG PHE A 10 45.992 114.326 2.707 1.00 19.72 C ATOM 62 CD1 PHE A 10 46.118 112.972 2.499 1.00 14.60 C ATOM 63 CD2 PHE A 10 45.761 114.776 3.988 1.00 16.96 C ATOM 64 CE1 PHE A 10 46.049 112.088 3.556 1.00 16.53 C ATOM 65 CE2 PHE A 10 45.683 113.893 5.031 1.00 17.00 C ATOM 66 CZ PHE A 10 45.824 112.554 4.812 1.00 14.33 C ATOM 67 H PHE A 10 46.613 117.000 -0.268 1.00 0.00 H ATOM 68 N VAL A 11 48.069 114.093 -0.522 1.00 25.52 N ATOM 69 CA VAL A 11 48.844 112.997 -1.086 1.00 18.95 C ATOM 70 C VAL A 11 50.301 113.404 -1.162 1.00 40.24 C ATOM 71 O VAL A 11 51.188 112.724 -0.631 1.00 41.62 O ATOM 72 CB VAL A 11 48.291 112.619 -2.475 1.00 14.28 C ATOM 73 CG1 VAL A 11 49.112 111.521 -3.122 1.00 13.68 C ATOM 74 CG2 VAL A 11 46.836 112.238 -2.380 1.00 14.62 C ATOM 75 H VAL A 11 47.313 114.539 -1.079 1.00 0.00 H ATOM 76 N ALA A 12 50.559 114.578 -1.739 1.00 30.98 N ATOM 77 CA ALA A 12 51.933 115.033 -1.912 1.00 24.37 C ATOM 78 C ALA A 12 52.631 115.157 -0.573 1.00 19.16 C ATOM 79 O ALA A 12 53.764 114.697 -0.417 1.00 13.05 O ATOM 80 CB ALA A 12 51.976 116.357 -2.667 1.00 14.57 C ATOM 81 H ALA A 12 49.773 115.174 -2.068 1.00 0.00 H ATOM 82 N THR A 13 51.953 115.766 0.412 1.00 13.95 N ATOM 83 CA THR A 13 52.526 115.866 1.756 1.00 25.46 C ATOM 84 C THR A 13 52.887 114.491 2.283 1.00 20.06 C ATOM 85 O THR A 13 54.027 114.241 2.690 1.00 16.52 O ATOM 86 CB THR A 13 51.528 116.509 2.724 1.00 26.76 C ATOM 87 OG1 THR A 13 51.173 117.832 2.305 1.00 17.98 O ATOM 88 CG2 THR A 13 52.056 116.527 4.109 1.00 13.84 C ATOM 89 HG1 THR A 13 50.759 117.792 1.406 1.00 0.00 H ATOM 90 H THR A 13 51.014 116.170 0.220 1.00 0.00 H ATOM 91 N LEU A 14 51.932 113.568 2.200 1.00 15.17 N ATOM 92 CA LEU A 14 52.128 112.210 2.671 1.00 12.24 C ATOM 93 C LEU A 14 53.167 111.475 1.837 1.00 38.71 C ATOM 94 O LEU A 14 53.914 110.648 2.368 1.00 36.75 O ATOM 95 CB LEU A 14 50.767 111.511 2.669 1.00 12.42 C ATOM 96 CG LEU A 14 50.526 110.166 3.322 1.00 17.01 C ATOM 97 CD1 LEU A 14 50.674 110.290 4.822 1.00 26.24 C ATOM 98 CD2 LEU A 14 49.142 109.730 2.991 1.00 12.27 C ATOM 99 H LEU A 14 51.015 113.829 1.784 1.00 0.00 H ATOM 100 N GLU A 15 53.243 111.768 0.535 1.00 30.36 N ATOM 101 CA GLU A 15 54.273 111.151 -0.296 1.00 20.82 C ATOM 102 C GLU A 15 55.652 111.636 0.096 1.00 15.51 C ATOM 103 O GLU A 15 56.639 110.926 -0.113 1.00 10.64 O ATOM 104 CB GLU A 15 54.051 111.470 -1.764 1.00 22.70 C ATOM 105 CG GLU A 15 52.971 110.654 -2.435 1.00 40.61 C ATOM 106 CD GLU A 15 52.779 111.055 -3.895 1.00 42.79 C ATOM 107 OE1 GLU A 15 53.514 111.945 -4.378 1.00 41.71 O ATOM 108 OE2 GLU A 15 51.872 110.507 -4.552 1.00 44.79 O ATOM 109 H GLU A 15 52.567 112.437 0.113 1.00 0.00 H ATOM 110 N SER A 16 55.743 112.852 0.633 1.00 26.64 N ATOM 111 CA SER A 16 57.041 113.411 0.964 1.00 23.84 C ATOM 112 C SER A 16 57.607 112.837 2.243 1.00 22.94 C ATOM 113 O SER A 16 58.795 113.032 2.499 1.00 25.46 O ATOM 114 CB SER A 16 56.976 114.943 1.059 1.00 24.17 C ATOM 115 OG SER A 16 56.313 115.407 2.219 1.00 17.86 O ATOM 116 HG SER A 16 55.383 115.069 2.223 1.00 0.00 H ATOM 117 H SER A 16 54.880 113.403 0.816 1.00 0.00 H ATOM 118 N PHE A 17 56.832 112.060 3.008 1.00 21.57 N ATOM 119 CA PHE A 17 57.450 111.462 4.182 1.00 17.10 C ATOM 120 C PHE A 17 58.508 110.455 3.783 1.00 24.21 C ATOM 121 O PHE A 17 59.316 110.055 4.625 1.00 49.45 O ATOM 122 CB PHE A 17 56.421 110.761 5.072 1.00 10.63 C ATOM 123 CG PHE A 17 55.718 111.675 6.035 1.00 24.73 C ATOM 124 CD1 PHE A 17 54.821 112.623 5.578 1.00 29.34 C ATOM 125 CD2 PHE A 17 55.924 111.577 7.389 1.00 23.96 C ATOM 126 CE1 PHE A 17 54.154 113.452 6.449 1.00 17.01 C ATOM 127 CE2 PHE A 17 55.259 112.411 8.259 1.00 15.89 C ATOM 128 CZ PHE A 17 54.379 113.343 7.786 1.00 24.42 C ATOM 129 H PHE A 17 55.833 111.891 2.774 1.00 0.00 H ATOM 130 N LYS A 18 58.552 110.083 2.512 1.00 11.09 N ATOM 131 CA LYS A 18 59.515 109.096 2.055 1.00 16.55 C ATOM 132 C LYS A 18 60.918 109.657 1.975 1.00 21.77 C ATOM 133 O LYS A 18 61.867 108.881 2.097 1.00 32.20 O ATOM 134 CB LYS A 18 59.060 108.575 0.686 1.00 23.63 C ATOM 135 CG LYS A 18 59.853 107.466 0.054 1.00 25.07 C ATOM 136 CD LYS A 18 59.049 106.935 -1.123 1.00 43.34 C ATOM 137 CE LYS A 18 58.674 108.059 -2.095 1.00 65.95 C ATOM 138 NZ LYS A 18 59.852 108.680 -2.778 1.00 74.22 N ATOM 139 HZ1 LYS A 18 60.490 109.086 -2.065 1.00 0.00 H ATOM 140 HZ2 LYS A 18 60.358 107.953 -3.324 1.00 0.00 H ATOM 141 HZ3 LYS A 18 59.524 109.430 -3.419 1.00 0.00 H ATOM 142 H LYS A 18 57.887 110.504 1.832 1.00 0.00 H ATOM 143 N ASP A 19 61.076 110.986 1.857 1.00 31.18 N ATOM 144 CA ASP A 19 62.400 111.613 1.863 1.00 49.95 C ATOM 145 C ASP A 19 62.909 111.927 3.264 1.00 32.00 C ATOM 146 O ASP A 19 64.012 112.454 3.398 1.00 28.85 O ATOM 147 CB ASP A 19 62.440 112.929 1.065 1.00 80.30 C ATOM 148 CG ASP A 19 61.115 113.292 0.426 1.00111.68 C ATOM 149 OD1 ASP A 19 60.224 112.422 0.333 1.00123.14 O ATOM 150 OD2 ASP A 19 60.949 114.481 0.058 1.00118.91 O ATOM 151 H ASP A 19 60.233 111.588 1.758 1.00 0.00 H ATOM 152 N LEU A 20 62.166 111.579 4.302 1.00 28.56 N ATOM 153 CA LEU A 20 62.557 111.841 5.680 1.00 18.35 C ATOM 154 C LEU A 20 63.200 110.582 6.241 1.00 13.12 C ATOM 155 O LEU A 20 62.558 109.530 6.280 1.00 14.14 O ATOM 156 CB LEU A 20 61.334 112.225 6.511 1.00 27.11 C ATOM 157 CG LEU A 20 60.583 113.538 6.220 1.00 24.59 C ATOM 158 CD1 LEU A 20 59.249 113.533 6.912 1.00 10.14 C ATOM 159 CD2 LEU A 20 61.374 114.740 6.718 1.00 31.11 C ATOM 160 H LEU A 20 61.262 111.096 4.126 1.00 0.00 H ATOM 161 N LYS A 21 64.458 110.696 6.690 1.00 17.82 N ATOM 162 CA LYS A 21 65.180 109.534 7.222 1.00 22.94 C ATOM 163 C LYS A 21 64.393 108.847 8.338 1.00 23.41 C ATOM 164 O LYS A 21 64.235 107.620 8.337 1.00 26.45 O ATOM 165 CB LYS A 21 66.540 109.972 7.762 1.00 26.80 C ATOM 166 CG LYS A 21 67.396 110.723 6.784 1.00 39.84 C ATOM 167 CD LYS A 21 68.126 111.889 7.445 1.00 50.61 C ATOM 168 CE LYS A 21 69.632 111.711 7.373 1.00 59.71 C ATOM 169 NZ LYS A 21 70.056 111.323 5.991 1.00 67.07 N ATOM 170 HZ1 LYS A 21 69.599 110.426 5.728 1.00 0.00 H ATOM 171 HZ2 LYS A 21 69.773 112.067 5.321 1.00 0.00 H ATOM 172 HZ3 LYS A 21 71.089 111.207 5.966 1.00 0.00 H ATOM 173 H LYS A 21 64.930 111.622 6.661 1.00 0.00 H ATOM 174 N SER A 22 63.888 109.638 9.296 1.00 15.12 N ATOM 175 CA SER A 22 63.122 109.120 10.426 1.00 16.69 C ATOM 176 C SER A 22 61.730 108.644 10.036 1.00 36.37 C ATOM 177 O SER A 22 61.212 107.698 10.642 1.00 59.82 O ATOM 178 CB SER A 22 62.979 110.208 11.473 1.00 17.34 C ATOM 179 OG SER A 22 62.498 111.389 10.856 1.00 20.80 O ATOM 180 HG SER A 22 62.404 112.101 11.537 1.00 0.00 H ATOM 181 H SER A 22 64.049 110.663 9.231 1.00 0.00 H ATOM 182 N GLY A 23 61.097 109.305 9.072 1.00 39.04 N ATOM 183 CA GLY A 23 59.692 109.121 8.799 1.00 8.09 C ATOM 184 C GLY A 23 58.785 109.924 9.691 1.00 34.96 C ATOM 185 O GLY A 23 57.580 109.664 9.710 1.00 41.60 O ATOM 186 H GLY A 23 61.635 109.981 8.492 1.00 0.00 H ATOM 187 N ILE A 24 59.323 110.908 10.414 1.00 30.12 N ATOM 188 CA ILE A 24 58.580 111.670 11.416 1.00 22.93 C ATOM 189 C ILE A 24 58.769 113.155 11.152 1.00 32.62 C ATOM 190 O ILE A 24 59.904 113.627 11.050 1.00 46.09 O ATOM 191 CB ILE A 24 59.026 111.330 12.853 1.00 18.77 C ATOM 192 CG1 ILE A 24 58.595 109.907 13.227 1.00 17.22 C ATOM 193 CG2 ILE A 24 58.463 112.354 13.866 1.00 29.05 C ATOM 194 CD1 ILE A 24 59.234 109.383 14.500 1.00 13.84 C ATOM 195 H ILE A 24 60.323 111.145 10.256 1.00 0.00 H ATOM 196 N SER A 25 57.657 113.890 11.076 1.00 29.24 N ATOM 197 CA SER A 25 57.666 115.343 10.945 1.00 16.15 C ATOM 198 C SER A 25 56.380 115.864 11.567 1.00 32.87 C ATOM 199 O SER A 25 55.293 115.660 11.019 1.00 42.33 O ATOM 200 CB SER A 25 57.760 115.781 9.494 1.00 18.55 C ATOM 201 OG SER A 25 57.293 117.120 9.369 1.00 33.09 O ATOM 202 HG SER A 25 56.350 117.169 9.668 1.00 0.00 H ATOM 203 H SER A 25 56.739 113.403 11.112 1.00 0.00 H ATOM 204 N GLY A 26 56.502 116.527 12.709 1.00 11.82 N ATOM 205 CA GLY A 26 55.320 116.995 13.395 1.00 12.36 C ATOM 206 C GLY A 26 54.576 118.078 12.657 1.00 28.24 C ATOM 207 O GLY A 26 53.365 118.234 12.843 1.00 33.99 O ATOM 208 H GLY A 26 57.445 116.709 13.109 1.00 0.00 H ATOM 209 N SER A 27 55.296 118.907 11.900 1.00 20.80 N ATOM 210 CA SER A 27 54.630 119.957 11.131 1.00 28.44 C ATOM 211 C SER A 27 53.726 119.349 10.079 1.00 14.06 C ATOM 212 O SER A 27 52.573 119.760 9.926 1.00 14.61 O ATOM 213 CB SER A 27 55.664 120.882 10.487 1.00 29.62 C ATOM 214 OG SER A 27 56.383 120.196 9.486 1.00 37.09 O ATOM 215 HG SER A 27 56.850 119.421 9.889 1.00 0.00 H ATOM 216 H SER A 27 56.330 118.807 11.857 1.00 0.00 H ATOM 217 N ARG A 28 54.224 118.339 9.377 1.00 14.23 N ATOM 218 CA ARG A 28 53.450 117.725 8.307 1.00 24.31 C ATOM 219 C ARG A 28 52.309 116.874 8.860 1.00 31.42 C ATOM 220 O ARG A 28 51.235 116.803 8.249 1.00 34.05 O ATOM 221 CB ARG A 28 54.371 116.895 7.413 1.00 21.35 C ATOM 222 CG ARG A 28 55.182 117.744 6.475 1.00 28.49 C ATOM 223 CD ARG A 28 56.257 116.956 5.764 1.00 45.84 C ATOM 224 NE ARG A 28 57.103 117.856 4.982 1.00 67.26 N ATOM 225 CZ ARG A 28 57.954 117.457 4.040 1.00 78.52 C ATOM 226 NH1 ARG A 28 58.067 116.167 3.760 1.00 83.17 N ATOM 227 NH2 ARG A 28 58.683 118.346 3.370 1.00 76.24 N ATOM 228 HE ARG A 28 57.035 118.876 5.175 1.00 0.00 H ATOM 229 HH12 ARG A 28 58.731 115.851 3.025 1.00 0.00 H ATOM 230 HH11 ARG A 28 57.492 115.471 4.276 1.00 0.00 H ATOM 231 HH22 ARG A 28 59.346 118.027 2.635 1.00 0.00 H ATOM 232 HH21 ARG A 28 58.590 119.360 3.581 1.00 0.00 H ATOM 233 H ARG A 28 55.177 117.982 9.593 1.00 0.00 H ATOM 234 N ILE A 29 52.520 116.215 10.000 1.00 13.10 N ATOM 235 CA ILE A 29 51.410 115.525 10.643 1.00 13.14 C ATOM 236 C ILE A 29 50.369 116.546 11.076 1.00 13.89 C ATOM 237 O ILE A 29 49.168 116.264 11.076 1.00 27.76 O ATOM 238 CB ILE A 29 51.906 114.658 11.821 1.00 12.56 C ATOM 239 CG1 ILE A 29 52.946 113.650 11.360 1.00 31.22 C ATOM 240 CG2 ILE A 29 50.808 113.808 12.337 1.00 12.56 C ATOM 241 CD1 ILE A 29 53.614 112.949 12.501 1.00 11.27 C ATOM 242 H ILE A 29 53.468 116.194 10.426 1.00 0.00 H ATOM 243 N LYS A 30 50.810 117.741 11.465 1.00 14.22 N ATOM 244 CA LYS A 30 49.869 118.787 11.841 1.00 14.96 C ATOM 245 C LYS A 30 49.153 119.342 10.615 1.00 31.55 C ATOM 246 O LYS A 30 47.992 119.751 10.705 1.00 40.81 O ATOM 247 CB LYS A 30 50.611 119.890 12.604 1.00 21.07 C ATOM 248 CG LYS A 30 49.747 121.072 13.052 1.00 26.02 C ATOM 249 CD LYS A 30 50.600 122.142 13.736 1.00 40.89 C ATOM 250 CE LYS A 30 49.762 123.300 14.280 1.00 46.69 C ATOM 251 NZ LYS A 30 50.625 124.344 14.919 1.00 50.74 N ATOM 252 HZ1 LYS A 30 51.154 123.920 15.707 1.00 0.00 H ATOM 253 HZ2 LYS A 30 51.291 124.720 14.215 1.00 0.00 H ATOM 254 HZ3 LYS A 30 50.026 125.115 15.277 1.00 0.00 H ATOM 255 H LYS A 30 51.832 117.928 11.500 1.00 0.00 H ATOM 256 N LYS A 31 49.803 119.307 9.453 1.00 21.58 N ATOM 257 CA LYS A 31 49.127 119.668 8.214 1.00 20.90 C ATOM 258 C LYS A 31 48.073 118.639 7.854 1.00 17.25 C ATOM 259 O LYS A 31 46.914 118.986 7.579 1.00 20.83 O ATOM 260 CB LYS A 31 50.137 119.756 7.072 1.00 20.73 C ATOM 261 CG LYS A 31 50.454 121.126 6.497 1.00 29.51 C ATOM 262 CD LYS A 31 51.422 120.896 5.315 1.00 42.94 C ATOM 263 CE LYS A 31 51.588 122.084 4.366 1.00 43.88 C ATOM 264 NZ LYS A 31 52.537 121.704 3.274 1.00 39.06 N ATOM 265 HZ1 LYS A 31 53.457 121.453 3.688 1.00 0.00 H ATOM 266 HZ2 LYS A 31 52.156 120.888 2.753 1.00 0.00 H ATOM 267 HZ3 LYS A 31 52.655 122.507 2.624 1.00 0.00 H ATOM 268 H LYS A 31 50.802 119.019 9.430 1.00 0.00 H ATOM 269 N LEU A 32 48.459 117.360 7.879 1.00 15.07 N ATOM 270 CA LEU A 32 47.524 116.291 7.556 1.00 14.98 C ATOM 271 C LEU A 32 46.303 116.343 8.456 1.00 17.82 C ATOM 272 O LEU A 32 45.160 116.344 7.975 1.00 15.80 O ATOM 273 CB LEU A 32 48.220 114.932 7.673 1.00 23.31 C ATOM 274 CG LEU A 32 49.426 114.743 6.735 1.00 25.76 C ATOM 275 CD1 LEU A 32 50.187 113.432 6.982 1.00 14.83 C ATOM 276 CD2 LEU A 32 48.986 114.867 5.278 1.00 21.36 C ATOM 277 H LEU A 32 49.440 117.125 8.132 1.00 0.00 H ATOM 278 N THR A 33 46.541 116.473 9.767 1.00 27.52 N ATOM 279 CA THR A 33 45.469 116.477 10.761 1.00 15.59 C ATOM 280 C THR A 33 44.543 117.675 10.588 1.00 28.76 C ATOM 281 O THR A 33 43.312 117.538 10.664 1.00 20.24 O ATOM 282 CB THR A 33 46.067 116.469 12.148 1.00 15.30 C ATOM 283 OG1 THR A 33 46.722 115.217 12.342 1.00 14.55 O ATOM 284 CG2 THR A 33 44.970 116.636 13.169 1.00 15.72 C ATOM 285 HG1 THR A 33 47.122 115.192 13.247 1.00 0.00 H ATOM 286 H THR A 33 47.524 116.575 10.090 1.00 0.00 H ATOM 287 N THR A 34 45.111 118.873 10.399 1.00 16.72 N ATOM 288 CA THR A 34 44.252 120.011 10.122 1.00 17.52 C ATOM 289 C THR A 34 43.419 119.730 8.897 1.00 23.16 C ATOM 290 O THR A 34 42.197 119.932 8.919 1.00 18.29 O ATOM 291 CB THR A 34 45.061 121.292 9.904 1.00 24.25 C ATOM 292 OG1 THR A 34 45.908 121.551 11.037 1.00 22.22 O ATOM 293 CG2 THR A 34 44.113 122.487 9.665 1.00 18.65 C ATOM 294 HG1 THR A 34 46.532 120.793 11.161 1.00 0.00 H ATOM 295 H THR A 34 46.144 118.986 10.449 1.00 0.00 H ATOM 296 N TYR A 35 44.052 119.162 7.852 1.00 19.12 N ATOM 297 CA TYR A 35 43.303 118.832 6.652 1.00 20.60 C ATOM 298 C TYR A 35 42.237 117.804 6.972 1.00 29.92 C ATOM 299 O TYR A 35 41.075 117.956 6.572 1.00 47.96 O ATOM 300 CB TYR A 35 44.226 118.314 5.547 1.00 29.95 C ATOM 301 CG TYR A 35 43.460 118.061 4.245 1.00 29.41 C ATOM 302 CD1 TYR A 35 42.685 116.916 4.074 1.00 29.97 C ATOM 303 CD2 TYR A 35 43.478 118.990 3.214 1.00 21.85 C ATOM 304 CE1 TYR A 35 41.968 116.706 2.931 1.00 28.07 C ATOM 305 CE2 TYR A 35 42.766 118.778 2.052 1.00 26.05 C ATOM 306 CZ TYR A 35 42.013 117.635 1.920 1.00 27.62 C ATOM 307 OH TYR A 35 41.292 117.412 0.783 1.00 32.17 O ATOM 308 HH TYR A 35 40.815 116.548 0.861 1.00 0.00 H ATOM 309 H TYR A 35 45.071 118.961 7.904 1.00 0.00 H ATOM 310 N ALA A 36 42.599 116.786 7.749 1.00 23.73 N ATOM 311 CA ALA A 36 41.629 115.764 8.127 1.00 34.03 C ATOM 312 C ALA A 36 40.442 116.357 8.885 1.00 29.21 C ATOM 313 O ALA A 36 39.313 115.866 8.758 1.00 32.74 O ATOM 314 CB ALA A 36 42.312 114.688 8.970 1.00 38.21 C ATOM 315 H ALA A 36 43.580 116.719 8.089 1.00 0.00 H ATOM 316 N LEU A 37 40.664 117.419 9.644 1.00 17.80 N ATOM 317 CA LEU A 37 39.576 118.060 10.368 1.00 28.56 C ATOM 318 C LEU A 37 38.718 118.936 9.467 1.00 30.87 C ATOM 319 O LEU A 37 37.566 119.219 9.816 1.00 23.24 O ATOM 320 CB LEU A 37 40.159 118.889 11.511 1.00 18.51 C ATOM 321 CG LEU A 37 40.598 118.028 12.681 1.00 17.95 C ATOM 322 CD1 LEU A 37 41.284 118.929 13.640 1.00 18.02 C ATOM 323 CD2 LEU A 37 39.434 117.253 13.294 1.00 18.06 C ATOM 324 H LEU A 37 41.628 117.800 9.724 1.00 0.00 H ATOM 325 N ASP A 38 39.260 119.391 8.330 1.00 29.82 N ATOM 326 CA ASP A 38 38.498 120.190 7.377 1.00 24.82 C ATOM 327 C ASP A 38 37.873 119.371 6.270 1.00 38.36 C ATOM 328 O ASP A 38 37.132 119.935 5.459 1.00 51.14 O ATOM 329 CB ASP A 38 39.361 121.265 6.712 1.00 20.04 C ATOM 330 CG ASP A 38 39.960 122.232 7.696 1.00 33.20 C ATOM 331 OD1 ASP A 38 39.358 122.433 8.774 1.00 36.60 O ATOM 332 OD2 ASP A 38 41.033 122.795 7.386 1.00 31.02 O ATOM 333 H ASP A 38 40.254 119.168 8.120 1.00 0.00 H ATOM 334 N HIS A 39 38.157 118.077 6.180 1.00 30.03 N ATOM 335 CA HIS A 39 37.613 117.333 5.064 1.00 28.23 C ATOM 336 C HIS A 39 37.065 115.994 5.510 1.00 29.02 C ATOM 337 O HIS A 39 37.259 114.970 4.857 1.00 37.53 O ATOM 338 CB HIS A 39 38.665 117.232 3.970 1.00 32.00 C ATOM 339 CG HIS A 39 39.086 118.577 3.464 1.00 31.91 C ATOM 340 ND1 HIS A 39 40.214 119.222 3.918 1.00 29.38 N ATOM 341 CD2 HIS A 39 38.440 119.457 2.662 1.00 26.81 C ATOM 342 CE1 HIS A 39 40.296 120.412 3.343 1.00 24.93 C ATOM 343 NE2 HIS A 39 39.226 120.583 2.591 1.00 30.36 N ATOM 344 H HIS A 39 38.754 117.611 6.892 1.00 0.00 H ATOM 345 N ILE A 40 36.306 116.015 6.610 1.00 24.26 N ATOM 346 CA ILE A 40 35.620 114.806 7.054 1.00 29.92 C ATOM 347 C ILE A 40 34.609 114.340 6.010 1.00 38.06 C ATOM 348 O ILE A 40 34.316 113.136 5.906 1.00 32.21 O ATOM 349 CB ILE A 40 34.955 115.057 8.417 1.00 26.36 C ATOM 350 CG1 ILE A 40 35.958 115.698 9.375 1.00 31.45 C ATOM 351 CG2 ILE A 40 34.357 113.768 8.978 1.00 19.13 C ATOM 352 CD1 ILE A 40 35.334 116.192 10.672 1.00 32.66 C ATOM 353 H ILE A 40 36.204 116.897 7.152 1.00 0.00 H ATOM 354 N ASP A 41 34.099 115.269 5.188 1.00 33.59 N ATOM 355 CA ASP A 41 33.161 114.894 4.139 1.00 30.71 C ATOM 356 C ASP A 41 33.787 113.891 3.183 1.00 33.52 C ATOM 357 O ASP A 41 33.070 113.094 2.564 1.00 42.61 O ATOM 358 CB ASP A 41 32.643 116.146 3.431 1.00 46.32 C ATOM 359 CG ASP A 41 33.714 117.196 3.228 1.00 47.34 C ATOM 360 OD1 ASP A 41 34.053 117.853 4.225 1.00 47.15 O ATOM 361 OD2 ASP A 41 34.160 117.426 2.084 1.00 47.75 O ATOM 362 H ASP A 41 34.376 116.265 5.301 1.00 0.00 H ATOM 363 N ILE A 42 35.115 113.920 3.051 1.00 44.80 N ATOM 364 CA ILE A 42 35.865 112.881 2.348 1.00 18.47 C ATOM 365 C ILE A 42 36.779 112.176 3.336 1.00 40.39 C ATOM 366 O ILE A 42 37.985 112.071 3.105 1.00 50.10 O ATOM 367 CB ILE A 42 36.695 113.441 1.170 1.00 18.44 C ATOM 368 CG1 ILE A 42 37.604 114.604 1.612 1.00 18.48 C ATOM 369 CG2 ILE A 42 35.780 113.836 0.022 1.00 19.07 C ATOM 370 CD1 ILE A 42 38.920 114.707 0.891 1.00 18.07 C ATOM 371 H ILE A 42 35.639 114.717 3.466 1.00 0.00 H ATOM 372 N GLU A 43 36.242 111.682 4.447 1.00 31.20 N ATOM 373 CA GLU A 43 37.165 111.008 5.350 1.00 20.86 C ATOM 374 C GLU A 43 37.532 109.621 4.854 1.00 29.21 C ATOM 375 O GLU A 43 38.616 109.136 5.190 1.00 37.67 O ATOM 376 CB GLU A 43 36.605 110.944 6.771 1.00 18.84 C ATOM 377 CG GLU A 43 35.276 110.257 6.955 1.00 20.58 C ATOM 378 CD GLU A 43 35.395 108.756 7.033 1.00 16.83 C ATOM 379 OE1 GLU A 43 34.365 108.074 6.979 1.00 20.59 O ATOM 380 OE2 GLU A 43 36.509 108.245 7.182 1.00 16.18 O ATOM 381 H GLU A 43 35.228 111.771 4.658 1.00 0.00 H ATOM 382 N SER A 44 36.659 108.965 4.071 1.00 22.06 N ATOM 383 CA SER A 44 36.915 107.574 3.684 1.00 19.39 C ATOM 384 C SER A 44 38.152 107.482 2.826 1.00 25.75 C ATOM 385 O SER A 44 38.864 106.476 2.837 1.00 32.23 O ATOM 386 CB SER A 44 35.722 106.964 2.963 1.00 17.83 C ATOM 387 OG SER A 44 34.614 106.843 3.839 1.00 31.33 O ATOM 388 HG SER A 44 33.851 106.445 3.350 1.00 0.00 H ATOM 389 H SER A 44 35.799 109.445 3.738 1.00 0.00 H ATOM 390 N LYS A 45 38.415 108.543 2.096 1.00 17.94 N ATOM 391 CA LYS A 45 39.526 108.642 1.172 1.00 18.19 C ATOM 392 C LYS A 45 40.813 108.933 1.917 1.00 15.14 C ATOM 393 O LYS A 45 41.834 108.272 1.715 1.00 19.07 O ATOM 394 CB LYS A 45 39.177 109.802 0.237 1.00 16.25 C ATOM 395 CG LYS A 45 39.740 109.884 -1.117 1.00 17.51 C ATOM 396 CD LYS A 45 38.899 110.937 -1.828 1.00 19.09 C ATOM 397 CE LYS A 45 39.673 111.774 -2.836 1.00 31.55 C ATOM 398 NZ LYS A 45 38.719 112.449 -3.780 1.00 38.21 N ATOM 399 HZ1 LYS A 45 38.165 111.728 -4.285 1.00 0.00 H ATOM 400 HZ2 LYS A 45 38.078 113.066 -3.241 1.00 0.00 H ATOM 401 HZ3 LYS A 45 39.256 113.018 -4.465 1.00 0.00 H ATOM 402 H LYS A 45 37.784 109.365 2.188 1.00 0.00 H ATOM 403 N ILE A 46 40.737 109.868 2.847 1.00 15.41 N ATOM 404 CA ILE A 46 41.823 110.153 3.767 1.00 15.01 C ATOM 405 C ILE A 46 42.200 108.913 4.579 1.00 14.35 C ATOM 406 O ILE A 46 43.380 108.604 4.749 1.00 16.34 O ATOM 407 CB ILE A 46 41.391 111.321 4.659 1.00 16.91 C ATOM 408 CG1 ILE A 46 41.380 112.616 3.820 1.00 16.07 C ATOM 409 CG2 ILE A 46 42.253 111.400 5.908 1.00 15.54 C ATOM 410 CD1 ILE A 46 40.555 113.760 4.407 1.00 16.77 C ATOM 411 H ILE A 46 39.861 110.424 2.923 1.00 0.00 H ATOM 412 N ILE A 47 41.192 108.175 5.053 1.00 17.16 N ATOM 413 CA ILE A 47 41.458 107.051 5.954 1.00 13.87 C ATOM 414 C ILE A 47 42.181 105.928 5.238 1.00 13.26 C ATOM 415 O ILE A 47 43.188 105.407 5.743 1.00 33.94 O ATOM 416 CB ILE A 47 40.155 106.537 6.591 1.00 34.34 C ATOM 417 CG1 ILE A 47 39.611 107.543 7.573 1.00 14.65 C ATOM 418 CG2 ILE A 47 40.436 105.251 7.343 1.00 13.55 C ATOM 419 CD1 ILE A 47 40.561 107.821 8.713 1.00 14.29 C ATOM 420 H ILE A 47 40.214 108.400 4.781 1.00 0.00 H ATOM 421 N SER A 48 41.673 105.474 4.088 1.00 22.92 N ATOM 422 CA SER A 48 42.367 104.369 3.430 1.00 19.60 C ATOM 423 C SER A 48 43.737 104.809 2.945 1.00 12.50 C ATOM 424 O SER A 48 44.671 104.007 2.921 1.00 15.98 O ATOM 425 CB SER A 48 41.527 103.743 2.318 1.00 13.06 C ATOM 426 OG SER A 48 41.049 104.692 1.416 1.00 13.65 O ATOM 427 HG SER A 48 40.483 105.347 1.897 1.00 0.00 H ATOM 428 H SER A 48 40.814 105.892 3.676 1.00 0.00 H ATOM 429 N LEU A 49 43.898 106.068 2.578 1.00 12.90 N ATOM 430 CA LEU A 49 45.242 106.526 2.265 1.00 12.60 C ATOM 431 C LEU A 49 46.163 106.379 3.482 1.00 12.08 C ATOM 432 O LEU A 49 47.187 105.706 3.408 1.00 11.49 O ATOM 433 CB LEU A 49 45.193 107.953 1.698 1.00 16.85 C ATOM 434 CG LEU A 49 46.491 108.566 1.149 1.00 15.29 C ATOM 435 CD1 LEU A 49 47.285 107.576 0.356 1.00 14.77 C ATOM 436 CD2 LEU A 49 46.236 109.787 0.271 1.00 13.61 C ATOM 437 H LEU A 49 43.085 106.714 2.515 1.00 0.00 H ATOM 438 N ILE A 50 45.804 106.938 4.640 1.00 17.25 N ATOM 439 CA ILE A 50 46.729 106.750 5.776 1.00 19.61 C ATOM 440 C ILE A 50 46.784 105.296 6.243 1.00 21.96 C ATOM 441 O ILE A 50 47.781 104.881 6.838 1.00 10.68 O ATOM 442 CB ILE A 50 46.414 107.657 6.982 1.00 12.13 C ATOM 443 CG1 ILE A 50 45.036 107.370 7.530 1.00 12.50 C ATOM 444 CG2 ILE A 50 46.678 109.122 6.699 1.00 12.59 C ATOM 445 CD1 ILE A 50 44.823 107.892 8.920 1.00 34.31 C ATOM 446 H ILE A 50 44.920 107.477 4.737 1.00 0.00 H ATOM 447 N ILE A 51 45.724 104.507 6.012 1.00 22.54 N ATOM 448 CA ILE A 51 45.774 103.076 6.297 1.00 10.85 C ATOM 449 C ILE A 51 46.739 102.383 5.356 1.00 19.18 C ATOM 450 O ILE A 51 47.555 101.547 5.766 1.00 13.86 O ATOM 451 CB ILE A 51 44.380 102.448 6.193 1.00 19.00 C ATOM 452 CG1 ILE A 51 43.536 102.791 7.399 1.00 20.58 C ATOM 453 CG2 ILE A 51 44.485 100.948 6.123 1.00 18.16 C ATOM 454 CD1 ILE A 51 42.188 102.164 7.327 1.00 20.56 C ATOM 455 H ILE A 51 44.853 104.921 5.624 1.00 0.00 H ATOM 456 N ASP A 52 46.640 102.697 4.067 1.00 22.08 N ATOM 457 CA ASP A 52 47.506 102.046 3.101 1.00 10.18 C ATOM 458 C ASP A 52 48.941 102.509 3.264 1.00 9.80 C ATOM 459 O ASP A 52 49.878 101.712 3.105 1.00 9.22 O ATOM 460 CB ASP A 52 46.975 102.305 1.683 1.00 18.11 C ATOM 461 CG ASP A 52 45.690 101.530 1.382 1.00 22.31 C ATOM 462 OD1 ASP A 52 45.433 100.537 2.077 1.00 32.71 O ATOM 463 OD2 ASP A 52 44.924 101.892 0.468 1.00 38.65 O ATOM 464 H ASP A 52 45.946 103.405 3.753 1.00 0.00 H ATOM 465 N TYR A 53 49.139 103.759 3.649 1.00 10.11 N ATOM 466 CA TYR A 53 50.507 104.223 3.808 1.00 9.77 C ATOM 467 C TYR A 53 51.236 103.405 4.865 1.00 12.18 C ATOM 468 O TYR A 53 52.390 102.996 4.664 1.00 21.00 O ATOM 469 CB TYR A 53 50.522 105.705 4.153 1.00 18.03 C ATOM 470 CG TYR A 53 51.869 106.262 4.538 1.00 9.93 C ATOM 471 CD1 TYR A 53 52.793 106.632 3.583 1.00 12.71 C ATOM 472 CD2 TYR A 53 52.215 106.415 5.874 1.00 28.03 C ATOM 473 CE1 TYR A 53 54.027 107.152 3.953 1.00 9.59 C ATOM 474 CE2 TYR A 53 53.443 106.925 6.248 1.00 31.51 C ATOM 475 CZ TYR A 53 54.343 107.288 5.286 1.00 9.41 C ATOM 476 OH TYR A 53 55.555 107.793 5.674 1.00 10.87 O ATOM 477 HH TYR A 53 56.094 108.008 4.872 1.00 0.00 H ATOM 478 H TYR A 53 48.336 104.394 3.833 1.00 0.00 H ATOM 479 N SER A 54 50.554 103.085 5.969 1.00 12.68 N ATOM 480 CA SER A 54 51.202 102.258 6.983 1.00 10.05 C ATOM 481 C SER A 54 51.534 100.861 6.447 1.00 11.44 C ATOM 482 O SER A 54 52.613 100.333 6.721 1.00 7.47 O ATOM 483 CB SER A 54 50.346 102.198 8.234 1.00 12.65 C ATOM 484 OG SER A 54 51.167 101.875 9.340 1.00 8.26 O ATOM 485 HG SER A 54 51.865 102.569 9.446 1.00 0.00 H ATOM 486 H SER A 54 49.578 103.419 6.104 1.00 0.00 H ATOM 487 N ARG A 55 50.652 100.267 5.636 1.00 21.44 N ATOM 488 CA ARG A 55 50.975 98.966 5.040 1.00 17.74 C ATOM 489 C ARG A 55 52.199 99.045 4.103 1.00 18.33 C ATOM 490 O ARG A 55 52.945 98.072 3.986 1.00 16.78 O ATOM 491 CB ARG A 55 49.774 98.412 4.249 1.00 8.09 C ATOM 492 CG ARG A 55 48.427 98.310 4.999 1.00 8.47 C ATOM 493 CD ARG A 55 47.284 97.821 4.074 1.00 8.82 C ATOM 494 NE ARG A 55 46.103 97.298 4.770 1.00 12.09 N ATOM 495 CZ ARG A 55 44.841 97.486 4.362 1.00 14.91 C ATOM 496 NH1 ARG A 55 44.594 98.169 3.260 1.00 11.27 N ATOM 497 NH2 ARG A 55 43.811 96.996 5.048 1.00 19.08 N ATOM 498 HE ARG A 55 46.256 96.745 5.637 1.00 0.00 H ATOM 499 HH12 ARG A 55 43.613 98.313 2.946 1.00 0.00 H ATOM 500 HH11 ARG A 55 45.380 98.563 2.705 1.00 0.00 H ATOM 501 HH22 ARG A 55 42.840 97.155 4.712 1.00 0.00 H ATOM 502 HH21 ARG A 55 43.978 96.454 5.920 1.00 0.00 H ATOM 503 H ARG A 55 49.742 100.725 5.429 1.00 0.00 H ATOM 504 N LEU A 56 52.433 100.170 3.422 1.00 10.14 N ATOM 505 CA LEU A 56 53.401 100.144 2.327 1.00 19.73 C ATOM 506 C LEU A 56 54.700 100.898 2.587 1.00 21.80 C ATOM 507 O LEU A 56 55.664 100.699 1.842 1.00 30.47 O ATOM 508 CB LEU A 56 52.755 100.722 1.046 1.00 16.51 C ATOM 509 CG LEU A 56 51.424 100.078 0.643 1.00 8.44 C ATOM 510 CD1 LEU A 56 50.634 100.898 -0.345 1.00 11.02 C ATOM 511 CD2 LEU A 56 51.715 98.720 0.092 1.00 12.68 C ATOM 512 H LEU A 56 51.935 101.050 3.667 1.00 0.00 H ATOM 513 N CYS A 57 54.781 101.727 3.619 1.00 20.57 N ATOM 514 CA CYS A 57 55.980 102.530 3.807 1.00 22.64 C ATOM 515 C CYS A 57 57.142 101.635 4.209 1.00 36.94 C ATOM 516 O CYS A 57 56.955 100.455 4.523 1.00 49.10 O ATOM 517 CB CYS A 57 55.723 103.636 4.830 1.00 25.62 C ATOM 518 SG CYS A 57 55.337 103.059 6.462 1.00 20.00 S ATOM 519 H CYS A 57 53.991 101.803 4.291 1.00 0.00 H ATOM 520 N PRO A 58 58.367 102.150 4.146 1.00 33.56 N ATOM 521 CA PRO A 58 59.528 101.376 4.619 1.00 35.24 C ATOM 522 C PRO A 58 59.473 101.063 6.112 1.00 37.86 C ATOM 523 O PRO A 58 58.673 101.609 6.878 1.00 38.78 O ATOM 524 CB PRO A 58 60.723 102.270 4.271 1.00 27.19 C ATOM 525 CG PRO A 58 60.249 103.146 3.189 1.00 23.23 C ATOM 526 CD PRO A 58 58.774 103.360 3.413 1.00 20.42 C ATOM 527 N ASP A 59 60.394 100.173 6.518 1.00 37.35 N ATOM 528 CA ASP A 59 60.408 99.607 7.870 1.00 26.55 C ATOM 529 C ASP A 59 60.711 100.637 8.960 1.00 29.43 C ATOM 530 O ASP A 59 60.089 100.608 10.027 1.00 43.83 O ATOM 531 CB ASP A 59 61.439 98.485 7.965 1.00 32.51 C ATOM 532 CG ASP A 59 60.987 97.207 7.310 1.00 43.96 C ATOM 533 OD1 ASP A 59 59.861 97.181 6.775 1.00 50.40 O ATOM 534 OD2 ASP A 59 61.737 96.205 7.400 1.00 40.46 O ATOM 535 H ASP A 59 61.128 99.873 5.845 1.00 0.00 H ATOM 536 N SER A 60 61.690 101.514 8.749 1.00 22.93 N ATOM 537 CA SER A 60 62.023 102.501 9.773 1.00 28.02 C ATOM 538 C SER A 60 60.979 103.604 9.895 1.00 35.31 C ATOM 539 O SER A 60 61.064 104.421 10.821 1.00 34.51 O ATOM 540 CB SER A 60 63.381 103.129 9.474 1.00 36.24 C ATOM 541 OG SER A 60 63.350 103.794 8.227 1.00 41.66 O ATOM 542 HG SER A 60 62.662 104.506 8.251 1.00 0.00 H ATOM 543 H SER A 60 62.219 101.496 7.854 1.00 0.00 H ATOM 544 N HIS A 61 59.989 103.622 9.005 1.00 28.77 N ATOM 545 CA HIS A 61 58.964 104.650 8.944 1.00 22.58 C ATOM 546 C HIS A 61 57.660 104.233 9.590 1.00 10.48 C ATOM 547 O HIS A 61 56.741 105.061 9.700 1.00 14.18 O ATOM 548 CB HIS A 61 58.656 105.001 7.477 1.00 36.02 C ATOM 549 CG HIS A 61 59.678 105.867 6.809 1.00 24.68 C ATOM 550 ND1 HIS A 61 61.040 105.679 6.940 1.00 24.18 N ATOM 551 CD2 HIS A 61 59.523 106.974 6.050 1.00 11.56 C ATOM 552 CE1 HIS A 61 61.676 106.613 6.254 1.00 22.01 C ATOM 553 NE2 HIS A 61 60.776 107.416 5.712 1.00 19.60 N ATOM 554 H HIS A 61 59.947 102.851 8.309 1.00 0.00 H ATOM 555 N LYS A 62 57.557 102.972 10.013 1.00 14.65 N ATOM 556 CA LYS A 62 56.274 102.430 10.453 1.00 22.20 C ATOM 557 C LYS A 62 55.760 103.095 11.709 1.00 19.75 C ATOM 558 O LYS A 62 54.544 103.197 11.886 1.00 37.15 O ATOM 559 CB LYS A 62 56.393 100.933 10.636 1.00 6.07 C ATOM 560 CG LYS A 62 56.789 100.291 9.344 1.00 14.75 C ATOM 561 CD LYS A 62 55.633 99.504 8.801 1.00 6.00 C ATOM 562 CE LYS A 62 55.668 99.357 7.323 1.00 6.07 C ATOM 563 NZ LYS A 62 54.506 98.515 6.948 1.00 6.22 N ATOM 564 HZ1 LYS A 62 54.586 97.588 7.414 1.00 0.00 H ATOM 565 HZ2 LYS A 62 53.628 98.982 7.252 1.00 0.00 H ATOM 566 HZ3 LYS A 62 54.492 98.386 5.916 1.00 0.00 H ATOM 567 H LYS A 62 58.402 102.366 10.030 1.00 0.00 H ATOM 568 N LEU A 63 56.658 103.581 12.571 1.00 18.29 N ATOM 569 CA LEU A 63 56.227 104.329 13.746 1.00 7.08 C ATOM 570 C LEU A 63 55.514 105.609 13.333 1.00 21.07 C ATOM 571 O LEU A 63 54.390 105.879 13.772 1.00 8.25 O ATOM 572 CB LEU A 63 57.438 104.642 14.606 1.00 6.75 C ATOM 573 CG LEU A 63 57.343 105.545 15.828 1.00 28.26 C ATOM 574 CD1 LEU A 63 56.543 104.910 16.958 1.00 20.92 C ATOM 575 CD2 LEU A 63 58.768 105.837 16.252 1.00 25.78 C ATOM 576 H LEU A 63 57.672 103.424 12.402 1.00 0.00 H ATOM 577 N GLY A 64 56.134 106.388 12.443 1.00 21.25 N ATOM 578 CA GLY A 64 55.498 107.601 11.959 1.00 12.35 C ATOM 579 C GLY A 64 54.187 107.354 11.231 1.00 22.18 C ATOM 580 O GLY A 64 53.276 108.186 11.288 1.00 24.40 O ATOM 581 H GLY A 64 57.078 106.125 12.094 1.00 0.00 H ATOM 582 N SER A 65 54.043 106.202 10.572 1.00 27.18 N ATOM 583 CA SER A 65 52.733 105.905 10.006 1.00 19.92 C ATOM 584 C SER A 65 51.710 105.814 11.116 1.00 9.30 C ATOM 585 O SER A 65 50.604 106.347 11.001 1.00 18.71 O ATOM 586 CB SER A 65 52.750 104.608 9.212 1.00 13.34 C ATOM 587 OG SER A 65 52.969 103.516 10.075 1.00 19.22 O ATOM 588 HG SER A 65 53.839 103.629 10.534 1.00 0.00 H ATOM 589 H SER A 65 54.838 105.540 10.466 1.00 0.00 H ATOM 590 N LEU A 66 52.067 105.133 12.202 1.00 8.87 N ATOM 591 CA LEU A 66 51.208 105.045 13.379 1.00 32.91 C ATOM 592 C LEU A 66 51.113 106.367 14.147 1.00 42.36 C ATOM 593 O LEU A 66 50.156 106.554 14.904 1.00 45.31 O ATOM 594 CB LEU A 66 51.696 103.926 14.290 1.00 8.46 C ATOM 595 CG LEU A 66 51.628 102.485 13.794 1.00 8.02 C ATOM 596 CD1 LEU A 66 52.367 101.630 14.786 1.00 7.42 C ATOM 597 CD2 LEU A 66 50.210 102.025 13.690 1.00 8.38 C ATOM 598 H LEU A 66 52.987 104.648 12.213 1.00 0.00 H ATOM 599 N TYR A 67 52.093 107.267 14.010 1.00 9.53 N ATOM 600 CA TYR A 67 51.924 108.614 14.543 1.00 10.06 C ATOM 601 C TYR A 67 50.861 109.386 13.785 1.00 10.75 C ATOM 602 O TYR A 67 50.033 110.074 14.391 1.00 32.04 O ATOM 603 CB TYR A 67 53.244 109.374 14.499 1.00 9.90 C ATOM 604 CG TYR A 67 54.191 109.054 15.638 1.00 25.12 C ATOM 605 CD1 TYR A 67 53.778 108.286 16.727 1.00 19.39 C ATOM 606 CD2 TYR A 67 55.494 109.523 15.628 1.00 9.15 C ATOM 607 CE1 TYR A 67 54.639 107.990 17.754 1.00 12.14 C ATOM 608 CE2 TYR A 67 56.361 109.229 16.651 1.00 10.71 C ATOM 609 CZ TYR A 67 55.931 108.470 17.723 1.00 15.68 C ATOM 610 OH TYR A 67 56.803 108.183 18.753 1.00 39.46 O ATOM 611 HH TYR A 67 56.338 107.635 19.434 1.00 0.00 H ATOM 612 H TYR A 67 52.975 107.006 13.524 1.00 0.00 H ATOM 613 N ILE A 68 50.834 109.248 12.459 1.00 30.26 N ATOM 614 CA ILE A 68 49.828 109.935 11.654 1.00 20.29 C ATOM 615 C ILE A 68 48.437 109.433 12.012 1.00 11.72 C ATOM 616 O ILE A 68 47.481 110.209 12.095 1.00 12.35 O ATOM 617 CB ILE A 68 50.144 109.752 10.155 1.00 19.92 C ATOM 618 CG1 ILE A 68 51.482 110.431 9.814 1.00 22.62 C ATOM 619 CG2 ILE A 68 49.010 110.310 9.293 1.00 12.00 C ATOM 620 CD1 ILE A 68 52.153 109.981 8.510 1.00 10.85 C ATOM 621 H ILE A 68 51.539 108.643 11.992 1.00 0.00 H ATOM 622 N ILE A 69 48.294 108.121 12.170 1.00 11.28 N ATOM 623 CA ILE A 69 47.030 107.554 12.624 1.00 15.47 C ATOM 624 C ILE A 69 46.678 108.059 14.012 1.00 19.60 C ATOM 625 O ILE A 69 45.523 108.389 14.294 1.00 12.30 O ATOM 626 CB ILE A 69 47.084 106.019 12.554 1.00 10.95 C ATOM 627 CG1 ILE A 69 47.110 105.601 11.077 1.00 10.87 C ATOM 628 CG2 ILE A 69 45.920 105.411 13.263 1.00 11.14 C ATOM 629 CD1 ILE A 69 47.712 104.292 10.828 1.00 10.21 C ATOM 630 H ILE A 69 49.095 107.490 11.967 1.00 0.00 H ATOM 631 N ASP A 70 47.665 108.121 14.907 1.00 26.45 N ATOM 632 CA ASP A 70 47.363 108.617 16.239 1.00 16.21 C ATOM 633 C ASP A 70 46.884 110.057 16.182 1.00 17.81 C ATOM 634 O ASP A 70 45.926 110.426 16.878 1.00 18.99 O ATOM 635 CB ASP A 70 48.570 108.482 17.163 1.00 26.36 C ATOM 636 CG ASP A 70 48.348 109.196 18.491 1.00 33.18 C ATOM 637 OD1 ASP A 70 47.404 108.810 19.210 1.00 30.80 O ATOM 638 OD2 ASP A 70 49.084 110.156 18.809 1.00 34.92 O ATOM 639 H ASP A 70 48.629 107.821 14.657 1.00 0.00 H ATOM 640 N SER A 71 47.497 110.874 15.320 1.00 25.53 N ATOM 641 CA SER A 71 47.182 112.303 15.282 1.00 15.83 C ATOM 642 C SER A 71 45.785 112.563 14.737 1.00 23.45 C ATOM 643 O SER A 71 45.006 113.321 15.330 1.00 26.20 O ATOM 644 CB SER A 71 48.216 113.033 14.445 1.00 13.06 C ATOM 645 OG SER A 71 47.885 114.395 14.347 1.00 13.73 O ATOM 646 HG SER A 71 46.997 114.488 13.920 1.00 0.00 H ATOM 647 H SER A 71 48.208 110.489 14.667 1.00 0.00 H ATOM 648 N ILE A 72 45.458 111.952 13.596 1.00 26.50 N ATOM 649 CA ILE A 72 44.134 112.084 12.997 1.00 16.95 C ATOM 650 C ILE A 72 43.114 111.305 13.808 1.00 18.62 C ATOM 651 O ILE A 72 41.978 111.753 14.009 1.00 18.18 O ATOM 652 CB ILE A 72 44.169 111.574 11.549 1.00 18.56 C ATOM 653 CG1 ILE A 72 44.901 112.538 10.640 1.00 14.25 C ATOM 654 CG2 ILE A 72 42.764 111.211 11.036 1.00 21.95 C ATOM 655 CD1 ILE A 72 45.407 111.852 9.398 1.00 13.87 C ATOM 656 H ILE A 72 46.170 111.363 13.119 1.00 0.00 H ATOM 657 N GLY A 73 43.496 110.112 14.258 1.00 13.70 N ATOM 658 CA GLY A 73 42.580 109.318 15.050 1.00 26.57 C ATOM 659 C GLY A 73 42.163 110.012 16.325 1.00 32.11 C ATOM 660 O GLY A 73 40.974 110.064 16.653 1.00 33.63 O ATOM 661 H GLY A 73 44.447 109.752 14.042 1.00 0.00 H ATOM 662 N ARG A 74 43.109 110.638 17.028 1.00 26.87 N ATOM 663 CA ARG A 74 42.723 111.279 18.279 1.00 24.97 C ATOM 664 C ARG A 74 42.079 112.645 18.093 1.00 26.89 C ATOM 665 O ARG A 74 41.381 113.104 18.995 1.00 23.98 O ATOM 666 CB ARG A 74 43.929 111.387 19.213 1.00 13.91 C ATOM 667 CG ARG A 74 44.092 110.163 20.080 1.00 13.38 C ATOM 668 CD ARG A 74 44.973 110.455 21.246 1.00 15.78 C ATOM 669 NE ARG A 74 46.386 110.469 20.901 1.00 17.84 N ATOM 670 CZ ARG A 74 47.277 111.262 21.484 1.00 13.72 C ATOM 671 NH1 ARG A 74 46.873 112.119 22.406 1.00 16.14 N ATOM 672 NH2 ARG A 74 48.558 111.215 21.136 1.00 12.09 N ATOM 673 HE ARG A 74 46.717 109.822 20.157 1.00 0.00 H ATOM 674 HH12 ARG A 74 47.561 112.746 22.870 1.00 0.00 H ATOM 675 HH11 ARG A 74 45.867 112.166 22.667 1.00 0.00 H ATOM 676 HH22 ARG A 74 49.246 111.841 21.600 1.00 0.00 H ATOM 677 HH21 ARG A 74 48.873 110.552 20.399 1.00 0.00 H ATOM 678 H ARG A 74 44.093 110.668 16.693 1.00 0.00 H ATOM 679 N ALA A 75 42.240 113.286 16.940 1.00 30.06 N ATOM 680 CA ALA A 75 41.458 114.494 16.703 1.00 18.77 C ATOM 681 C ALA A 75 40.041 114.142 16.272 1.00 16.53 C ATOM 682 O ALA A 75 39.083 114.796 16.684 1.00 22.83 O ATOM 683 CB ALA A 75 42.142 115.369 15.658 1.00 29.48 C ATOM 684 H ALA A 75 42.908 112.935 16.224 1.00 0.00 H ATOM 685 N TYR A 76 39.875 113.109 15.451 1.00 16.21 N ATOM 686 CA TYR A 76 38.517 112.684 15.154 1.00 25.82 C ATOM 687 C TYR A 76 37.840 112.195 16.422 1.00 21.03 C ATOM 688 O TYR A 76 36.643 112.424 16.628 1.00 26.07 O ATOM 689 CB TYR A 76 38.508 111.577 14.096 1.00 35.40 C ATOM 690 CG TYR A 76 38.704 112.031 12.666 1.00 35.06 C ATOM 691 CD1 TYR A 76 39.089 113.331 12.367 1.00 32.45 C ATOM 692 CD2 TYR A 76 38.466 111.164 11.616 1.00 39.24 C ATOM 693 CE1 TYR A 76 39.264 113.746 11.059 1.00 33.32 C ATOM 694 CE2 TYR A 76 38.625 111.567 10.297 1.00 44.01 C ATOM 695 CZ TYR A 76 39.021 112.864 10.015 1.00 41.06 C ATOM 696 OH TYR A 76 39.174 113.268 8.684 1.00 40.03 O ATOM 697 HH TYR A 76 39.459 114.216 8.659 1.00 0.00 H ATOM 698 H TYR A 76 40.692 112.620 15.034 1.00 0.00 H ATOM 699 N LEU A 77 38.604 111.543 17.300 1.00 16.11 N ATOM 700 CA LEU A 77 38.027 111.040 18.532 1.00 16.15 C ATOM 701 C LEU A 77 37.607 112.183 19.451 1.00 24.72 C ATOM 702 O LEU A 77 36.579 112.086 20.132 1.00 17.14 O ATOM 703 CB LEU A 77 39.023 110.137 19.236 1.00 15.40 C ATOM 704 CG LEU A 77 38.340 109.553 20.458 1.00 19.80 C ATOM 705 CD1 LEU A 77 37.428 108.432 19.952 1.00 22.35 C ATOM 706 CD2 LEU A 77 39.324 109.079 21.476 1.00 14.89 C ATOM 707 H LEU A 77 39.614 111.395 17.101 1.00 0.00 H ATOM 708 N ASP A 78 38.369 113.284 19.453 1.00 16.85 N ATOM 709 CA ASP A 78 37.992 114.469 20.208 1.00 17.46 C ATOM 710 C ASP A 78 36.778 115.181 19.633 1.00 33.86 C ATOM 711 O ASP A 78 36.164 115.982 20.337 1.00 42.16 O ATOM 712 CB ASP A 78 39.156 115.444 20.252 1.00 17.37 C ATOM 713 CG ASP A 78 40.321 114.922 21.063 1.00 46.10 C ATOM 714 OD1 ASP A 78 40.133 113.922 21.795 1.00 46.90 O ATOM 715 OD2 ASP A 78 41.435 115.492 20.944 1.00 48.85 O ATOM 716 H ASP A 78 39.251 113.292 18.902 1.00 0.00 H ATOM 717 N GLU A 79 36.422 114.933 18.377 1.00 21.56 N ATOM 718 CA GLU A 79 35.198 115.522 17.853 1.00 25.29 C ATOM 719 C GLU A 79 33.966 114.735 18.291 1.00 28.80 C ATOM 720 O GLU A 79 32.932 115.339 18.605 1.00 36.96 O ATOM 721 CB GLU A 79 35.241 115.620 16.322 1.00 23.43 C ATOM 722 CG GLU A 79 36.162 116.695 15.692 1.00 19.11 C ATOM 723 CD GLU A 79 35.701 118.128 15.870 1.00 19.86 C ATOM 724 OE1 GLU A 79 36.560 118.997 16.116 1.00 25.89 O ATOM 725 OE2 GLU A 79 34.503 118.415 15.713 1.00 20.48 O ATOM 726 H GLU A 79 37.012 114.324 17.774 1.00 0.00 H ATOM 727 N THR A 80 34.033 113.392 18.299 1.00 25.98 N ATOM 728 CA THR A 80 32.826 112.629 18.622 1.00 24.78 C ATOM 729 C THR A 80 32.408 112.807 20.067 1.00 37.43 C ATOM 730 O THR A 80 31.213 112.708 20.374 1.00 37.54 O ATOM 731 CB THR A 80 33.002 111.135 18.373 1.00 20.19 C ATOM 732 OG1 THR A 80 33.898 110.575 19.352 1.00 17.74 O ATOM 733 CG2 THR A 80 33.556 110.907 16.979 1.00 22.61 C ATOM 734 HG1 THR A 80 34.778 111.023 19.286 1.00 0.00 H ATOM 735 H THR A 80 34.925 112.905 18.080 1.00 0.00 H ATOM 736 N ARG A 81 33.333 113.212 20.923 1.00 41.17 N ATOM 737 CA ARG A 81 33.008 113.434 22.317 1.00 37.13 C ATOM 738 C ARG A 81 32.534 114.855 22.549 1.00 40.78 C ATOM 739 O ARG A 81 31.716 115.082 23.448 1.00 46.91 O ATOM 740 CB ARG A 81 34.227 113.100 23.199 1.00 18.59 C ATOM 741 CG ARG A 81 34.573 111.595 23.242 1.00 23.92 C ATOM 742 CD ARG A 81 35.994 111.245 23.781 1.00 32.03 C ATOM 743 NE ARG A 81 36.184 109.785 23.920 1.00 40.02 N ATOM 744 CZ ARG A 81 37.298 109.174 24.352 1.00 37.35 C ATOM 745 NH1 ARG A 81 38.378 109.869 24.697 1.00 19.31 N ATOM 746 NH2 ARG A 81 37.337 107.846 24.441 1.00 40.12 N ATOM 747 HE ARG A 81 35.382 109.177 23.659 1.00 0.00 H ATOM 748 HH12 ARG A 81 39.230 109.374 25.029 1.00 0.00 H ATOM 749 HH11 ARG A 81 38.370 110.907 24.635 1.00 0.00 H ATOM 750 HH22 ARG A 81 38.200 107.372 24.776 1.00 0.00 H ATOM 751 HH21 ARG A 81 36.504 107.282 24.176 1.00 0.00 H ATOM 752 H ARG A 81 34.305 113.373 20.590 1.00 0.00 H ATOM 753 N SER A 82 32.966 115.796 21.707 1.00 33.86 N ATOM 754 CA SER A 82 32.393 117.133 21.716 1.00 36.06 C ATOM 755 C SER A 82 31.061 117.189 21.003 1.00 40.56 C ATOM 756 O SER A 82 30.274 118.103 21.269 1.00 43.81 O ATOM 757 CB SER A 82 33.357 118.131 21.077 1.00 39.58 C ATOM 758 OG SER A 82 34.577 118.150 21.803 1.00 53.68 O ATOM 759 HG SER A 82 34.982 117.247 21.789 1.00 0.00 H ATOM 760 H SER A 82 33.725 115.570 21.033 1.00 0.00 H ATOM 761 N ASN A 83 30.781 116.223 20.123 1.00 40.06 N ATOM 762 CA ASN A 83 29.574 116.255 19.310 1.00 42.34 C ATOM 763 C ASN A 83 28.623 115.087 19.543 1.00 35.97 C ATOM 764 O ASN A 83 27.507 115.119 19.009 1.00 25.80 O ATOM 765 CB ASN A 83 29.940 116.326 17.820 1.00 38.77 C ATOM 766 CG ASN A 83 30.815 117.532 17.497 1.00 31.70 C ATOM 767 OD1 ASN A 83 30.717 118.570 18.146 1.00 27.16 O ATOM 768 ND2 ASN A 83 31.687 117.387 16.504 1.00 26.50 N ATOM 769 HD22 ASN A 83 31.735 116.489 15.981 1.00 0.00 H ATOM 770 HD21 ASN A 83 32.321 118.171 16.250 1.00 0.00 H ATOM 771 H ASN A 83 31.443 115.428 20.016 1.00 0.00 H ATOM 772 N SER A 84 29.019 114.075 20.322 1.00 35.94 N ATOM 773 CA SER A 84 28.107 113.018 20.752 1.00 41.84 C ATOM 774 C SER A 84 27.501 112.286 19.562 1.00 49.02 C ATOM 775 O SER A 84 26.277 112.154 19.454 1.00 57.14 O ATOM 776 CB SER A 84 27.008 113.605 21.638 1.00 42.46 C ATOM 777 OG SER A 84 27.501 114.720 22.362 1.00 39.25 O ATOM 778 HG SER A 84 26.779 115.089 22.930 1.00 0.00 H ATOM 779 H SER A 84 30.011 114.039 20.633 1.00 0.00 H ATOM 780 N ASN A 85 28.353 111.830 18.657 1.00 47.61 N ATOM 781 CA ASN A 85 27.933 111.086 17.486 1.00 49.12 C ATOM 782 C ASN A 85 28.632 109.734 17.536 1.00 55.48 C ATOM 783 O ASN A 85 29.781 109.637 17.982 1.00 45.73 O ATOM 784 CB ASN A 85 28.259 111.874 16.184 1.00 43.26 C ATOM 785 CG ASN A 85 27.653 111.241 14.923 1.00 49.57 C ATOM 786 OD1 ASN A 85 27.255 110.075 14.922 1.00 60.48 O ATOM 787 ND2 ASN A 85 27.610 112.010 13.836 1.00 43.60 N ATOM 788 HD22 ASN A 85 27.956 112.990 13.878 1.00 0.00 H ATOM 789 HD21 ASN A 85 27.230 111.631 12.945 1.00 0.00 H ATOM 790 H ASN A 85 29.368 112.014 18.792 1.00 0.00 H ATOM 791 N SER A 86 27.920 108.687 17.123 1.00 63.42 N ATOM 792 CA SER A 86 28.478 107.337 17.013 1.00 60.20 C ATOM 793 C SER A 86 27.975 106.666 15.733 1.00 63.85 C ATOM 794 O SER A 86 27.462 105.546 15.748 1.00 69.17 O ATOM 795 CB SER A 86 28.135 106.514 18.249 1.00 43.11 C ATOM 796 OG SER A 86 26.863 106.887 18.739 1.00 35.10 O ATOM 797 HG SER A 86 26.649 106.348 19.541 1.00 0.00 H ATOM 798 H SER A 86 26.923 108.834 16.867 1.00 0.00 H ATOM 799 N SER A 87 28.083 107.446 14.682 1.00 57.21 N ATOM 800 CA SER A 87 27.626 107.109 13.384 1.00 59.71 C ATOM 801 C SER A 87 28.505 106.118 12.738 1.00 55.76 C ATOM 802 O SER A 87 28.628 106.108 11.558 1.00 58.82 O ATOM 803 CB SER A 87 27.572 108.372 12.560 1.00 67.26 C ATOM 804 OG SER A 87 26.240 108.693 12.249 1.00 80.67 O ATOM 805 HG SER A 87 26.219 109.522 11.709 1.00 0.00 H ATOM 806 H SER A 87 28.535 108.374 14.811 1.00 0.00 H ATOM 807 N SER A 88 29.092 105.249 13.525 1.00 48.50 N ATOM 808 CA SER A 88 29.976 104.220 13.026 1.00 57.98 C ATOM 809 C SER A 88 29.553 103.588 11.703 1.00 48.44 C ATOM 810 O SER A 88 30.314 102.954 10.993 1.00 43.29 O ATOM 811 CB SER A 88 30.144 103.168 14.106 1.00 71.29 C ATOM 812 OG SER A 88 31.376 103.320 14.770 1.00 74.74 O ATOM 813 HG SER A 88 31.461 102.623 15.468 1.00 0.00 H ATOM 814 H SER A 88 28.915 105.302 14.548 1.00 0.00 H ATOM 815 N ASN A 89 28.311 103.795 11.367 1.00 30.00 N ATOM 816 CA ASN A 89 27.766 103.273 10.155 1.00 30.00 C ATOM 817 C ASN A 89 27.646 104.274 9.000 1.00 30.00 C ATOM 818 O ASN A 89 27.308 103.877 7.924 1.00 30.00 O ATOM 819 CB ASN A 89 26.354 102.729 10.480 1.00 20.00 C ATOM 820 CG ASN A 89 25.601 103.552 11.569 1.00 20.00 C ATOM 821 OD1 ASN A 89 25.765 104.757 11.710 1.00 20.00 O ATOM 822 ND2 ASN A 89 24.738 102.875 12.312 1.00 20.00 N ATOM 823 HD22 ASN A 89 24.620 101.852 12.170 1.00 0.00 H ATOM 824 HD21 ASN A 89 24.179 103.367 13.038 1.00 0.00 H ATOM 825 H ASN A 89 27.702 104.354 11.997 1.00 0.00 H ATOM 826 N LYS A 90 27.893 105.555 9.205 1.00 42.06 N ATOM 827 CA LYS A 90 27.645 106.543 8.175 1.00 55.37 C ATOM 828 C LYS A 90 28.810 107.098 7.491 1.00 52.52 C ATOM 829 O LYS A 90 29.560 107.753 8.092 1.00 49.72 O ATOM 830 CB LYS A 90 26.939 107.695 8.853 1.00 76.17 C ATOM 831 CG LYS A 90 25.908 108.441 8.019 1.00 84.85 C ATOM 832 CD LYS A 90 24.488 107.954 8.212 1.00 85.15 C ATOM 833 CE LYS A 90 23.591 108.586 7.174 1.00 88.91 C ATOM 834 NZ LYS A 90 22.789 107.613 6.385 1.00 85.43 N ATOM 835 HZ1 LYS A 90 23.429 106.966 5.882 1.00 0.00 H ATOM 836 HZ2 LYS A 90 22.177 107.069 7.026 1.00 0.00 H ATOM 837 HZ3 LYS A 90 22.202 108.127 5.697 1.00 0.00 H ATOM 838 H LYS A 90 28.273 105.860 10.124 1.00 0.00 H ATOM 839 N PRO A 91 28.995 106.883 6.216 1.00 45.76 N ATOM 840 CA PRO A 91 30.229 107.504 5.731 1.00 43.39 C ATOM 841 C PRO A 91 30.231 109.010 5.904 1.00 50.36 C ATOM 842 O PRO A 91 29.196 109.644 6.116 1.00 55.80 O ATOM 843 CB PRO A 91 30.257 107.120 4.248 1.00 42.43 C ATOM 844 CG PRO A 91 29.393 105.899 4.166 1.00 48.07 C ATOM 845 CD PRO A 91 28.277 106.204 5.128 1.00 47.55 C ATOM 846 N GLY A 92 31.431 109.579 5.812 1.00 49.61 N ATOM 847 CA GLY A 92 31.610 111.006 5.964 1.00 40.35 C ATOM 848 C GLY A 92 31.540 111.500 7.380 1.00 33.22 C ATOM 849 O GLY A 92 31.286 112.690 7.589 1.00 23.97 O ATOM 850 H GLY A 92 32.262 108.982 5.626 1.00 0.00 H ATOM 851 N THR A 93 31.772 110.621 8.360 1.00 39.18 N ATOM 852 CA THR A 93 31.696 110.969 9.768 1.00 19.04 C ATOM 853 C THR A 93 32.973 110.563 10.486 1.00 31.54 C ATOM 854 O THR A 93 33.675 109.639 10.071 1.00 37.76 O ATOM 855 CB THR A 93 30.506 110.283 10.455 1.00 37.51 C ATOM 856 OG1 THR A 93 30.738 108.867 10.545 1.00 36.13 O ATOM 857 CG2 THR A 93 29.210 110.561 9.695 1.00 20.01 C ATOM 858 HG1 THR A 93 30.848 108.493 9.635 1.00 0.00 H ATOM 859 H THR A 93 32.018 109.644 8.103 1.00 0.00 H ATOM 860 N CYS A 94 33.263 111.262 11.587 1.00 26.35 N ATOM 861 CA CYS A 94 34.416 110.897 12.402 1.00 27.85 C ATOM 862 C CYS A 94 34.214 109.534 13.043 1.00 39.41 C ATOM 863 O CYS A 94 35.168 108.754 13.178 1.00 38.56 O ATOM 864 CB CYS A 94 34.676 111.949 13.471 1.00 32.63 C ATOM 865 SG CYS A 94 35.629 113.344 12.908 1.00 27.68 S ATOM 866 H CYS A 94 32.666 112.067 11.863 1.00 0.00 H ATOM 867 N ALA A 95 32.977 109.227 13.441 1.00 29.63 N ATOM 868 CA ALA A 95 32.736 107.916 14.019 1.00 17.38 C ATOM 869 C ALA A 95 33.111 106.816 13.037 1.00 22.44 C ATOM 870 O ALA A 95 33.815 105.871 13.408 1.00 16.77 O ATOM 871 CB ALA A 95 31.279 107.793 14.437 1.00 20.47 C ATOM 872 H ALA A 95 32.202 109.913 13.339 1.00 0.00 H ATOM 873 N HIS A 96 32.723 106.966 11.762 1.00 29.95 N ATOM 874 CA HIS A 96 33.038 105.960 10.752 1.00 16.70 C ATOM 875 C HIS A 96 34.542 105.782 10.580 1.00 16.44 C ATOM 876 O HIS A 96 35.041 104.653 10.518 1.00 15.41 O ATOM 877 CB HIS A 96 32.415 106.337 9.413 1.00 20.36 C ATOM 878 CG HIS A 96 32.539 105.262 8.378 1.00 26.61 C ATOM 879 ND1 HIS A 96 33.574 105.214 7.470 1.00 30.94 N ATOM 880 CD2 HIS A 96 31.754 104.191 8.109 1.00 30.64 C ATOM 881 CE1 HIS A 96 33.431 104.150 6.701 1.00 38.79 C ATOM 882 NE2 HIS A 96 32.330 103.514 7.065 1.00 33.26 N ATOM 883 H HIS A 96 32.188 107.815 11.488 1.00 0.00 H ATOM 884 N ALA A 97 35.282 106.893 10.508 1.00 19.37 N ATOM 885 CA ALA A 97 36.725 106.818 10.275 1.00 15.42 C ATOM 886 C ALA A 97 37.432 106.020 11.351 1.00 14.81 C ATOM 887 O ALA A 97 38.300 105.191 11.046 1.00 20.46 O ATOM 888 CB ALA A 97 37.325 108.217 10.208 1.00 24.22 C ATOM 889 H ALA A 97 34.827 107.822 10.619 1.00 0.00 H ATOM 890 N ILE A 98 37.126 106.299 12.625 1.00 14.98 N ATOM 891 CA ILE A 98 37.740 105.538 13.710 1.00 14.42 C ATOM 892 C ILE A 98 37.314 104.087 13.620 1.00 14.12 C ATOM 893 O ILE A 98 38.130 103.171 13.775 1.00 13.47 O ATOM 894 CB ILE A 98 37.402 106.156 15.078 1.00 32.80 C ATOM 895 CG1 ILE A 98 38.025 107.539 15.200 1.00 14.94 C ATOM 896 CG2 ILE A 98 37.925 105.284 16.193 1.00 24.73 C ATOM 897 CD1 ILE A 98 37.377 108.353 16.243 1.00 15.48 C ATOM 898 H ILE A 98 36.450 107.059 12.842 1.00 0.00 H ATOM 899 N ASN A 99 36.047 103.848 13.307 1.00 14.60 N ATOM 900 CA ASN A 99 35.627 102.469 13.127 1.00 28.88 C ATOM 901 C ASN A 99 36.440 101.805 12.019 1.00 32.42 C ATOM 902 O ASN A 99 36.860 100.651 12.153 1.00 42.96 O ATOM 903 CB ASN A 99 34.130 102.420 12.833 1.00 39.98 C ATOM 904 CG ASN A 99 33.554 101.027 12.991 1.00 55.31 C ATOM 905 OD1 ASN A 99 34.124 100.183 13.687 1.00 55.83 O ATOM 906 ND2 ASN A 99 32.398 100.791 12.387 1.00 57.09 N ATOM 907 HD22 ASN A 99 31.952 101.532 11.809 1.00 0.00 H ATOM 908 HD21 ASN A 99 31.937 99.865 12.491 1.00 0.00 H ATOM 909 H ASN A 99 35.370 104.630 13.193 1.00 0.00 H ATOM 910 N THR A 100 36.692 102.529 10.925 1.00 45.31 N ATOM 911 CA THR A 100 37.531 101.994 9.854 1.00 13.52 C ATOM 912 C THR A 100 38.963 101.746 10.308 1.00 12.82 C ATOM 913 O THR A 100 39.538 100.695 10.019 1.00 12.27 O ATOM 914 CB THR A 100 37.507 102.912 8.638 1.00 27.28 C ATOM 915 OG1 THR A 100 36.160 103.057 8.157 1.00 25.02 O ATOM 916 CG2 THR A 100 38.386 102.332 7.546 1.00 21.36 C ATOM 917 HG1 THR A 100 35.596 103.447 8.871 1.00 0.00 H ATOM 918 H THR A 100 36.287 103.483 10.834 1.00 0.00 H ATOM 919 N LEU A 101 39.580 102.703 10.996 1.00 12.84 N ATOM 920 CA LEU A 101 40.944 102.437 11.461 1.00 18.92 C ATOM 921 C LEU A 101 40.986 101.251 12.421 1.00 24.25 C ATOM 922 O LEU A 101 41.949 100.480 12.420 1.00 21.52 O ATOM 923 CB LEU A 101 41.530 103.661 12.153 1.00 26.37 C ATOM 924 CG LEU A 101 41.840 104.909 11.342 1.00 19.80 C ATOM 925 CD1 LEU A 101 42.154 106.084 12.292 1.00 16.88 C ATOM 926 CD2 LEU A 101 42.983 104.661 10.363 1.00 12.16 C ATOM 927 H LEU A 101 39.110 103.609 11.197 1.00 0.00 H ATOM 928 N GLY A 102 39.944 101.082 13.237 1.00 21.98 N ATOM 929 CA GLY A 102 39.955 100.014 14.221 1.00 14.55 C ATOM 930 C GLY A 102 39.920 98.620 13.620 1.00 14.54 C ATOM 931 O GLY A 102 40.600 97.712 14.110 1.00 18.66 O ATOM 932 H GLY A 102 39.123 101.716 13.168 1.00 0.00 H ATOM 933 N GLU A 103 39.137 98.432 12.547 1.00 14.97 N ATOM 934 CA GLU A 103 39.017 97.120 11.920 1.00 11.30 C ATOM 935 C GLU A 103 40.346 96.604 11.358 1.00 21.94 C ATOM 936 O GLU A 103 40.473 95.398 11.120 1.00 44.70 O ATOM 937 CB GLU A 103 37.990 97.144 10.782 1.00 13.14 C ATOM 938 CG GLU A 103 36.545 97.517 11.106 1.00 22.91 C ATOM 939 CD GLU A 103 35.681 97.722 9.835 1.00 33.97 C ATOM 940 OE1 GLU A 103 34.454 97.945 9.982 1.00 40.83 O ATOM 941 OE2 GLU A 103 36.216 97.638 8.691 1.00 36.28 O ATOM 942 H GLU A 103 38.606 99.236 12.155 1.00 0.00 H ATOM 943 N VAL A 104 41.338 97.477 11.171 1.00 10.48 N ATOM 944 CA VAL A 104 42.633 97.116 10.592 1.00 9.88 C ATOM 945 C VAL A 104 43.808 97.417 11.518 1.00 9.45 C ATOM 946 O VAL A 104 44.958 97.238 11.098 1.00 8.96 O ATOM 947 CB VAL A 104 42.842 97.787 9.221 1.00 14.52 C ATOM 948 CG1 VAL A 104 41.664 97.506 8.302 1.00 10.53 C ATOM 949 CG2 VAL A 104 43.046 99.250 9.386 1.00 14.73 C ATOM 950 H VAL A 104 41.183 98.466 11.452 1.00 0.00 H ATOM 951 N ILE A 105 43.572 97.903 12.736 1.00 15.24 N ATOM 952 CA ILE A 105 44.691 98.371 13.552 1.00 9.29 C ATOM 953 C ILE A 105 45.580 97.230 14.030 1.00 8.56 C ATOM 954 O ILE A 105 46.797 97.399 14.157 1.00 55.79 O ATOM 955 CB ILE A 105 44.193 99.250 14.707 1.00 14.12 C ATOM 956 CG1 ILE A 105 45.376 100.013 15.309 1.00 9.46 C ATOM 957 CG2 ILE A 105 43.431 98.454 15.741 1.00 31.01 C ATOM 958 CD1 ILE A 105 46.015 101.013 14.384 1.00 9.57 C ATOM 959 H ILE A 105 42.600 97.949 13.103 1.00 0.00 H ATOM 960 N GLN A 106 45.024 96.062 14.304 1.00 14.18 N ATOM 961 CA GLN A 106 45.882 94.957 14.727 1.00 15.15 C ATOM 962 C GLN A 106 46.854 94.561 13.616 1.00 16.30 C ATOM 963 O GLN A 106 48.061 94.417 13.847 1.00 14.58 O ATOM 964 CB GLN A 106 45.031 93.778 15.175 1.00 11.69 C ATOM 965 CG GLN A 106 44.229 94.032 16.419 1.00 8.12 C ATOM 966 CD GLN A 106 43.512 92.783 16.908 1.00 16.97 C ATOM 967 OE1 GLN A 106 42.299 92.809 17.160 1.00 20.07 O ATOM 968 NE2 GLN A 106 44.253 91.675 17.023 1.00 16.16 N ATOM 969 HE22 GLN A 106 45.268 91.703 16.800 1.00 0.00 H ATOM 970 HE21 GLN A 106 43.814 90.786 17.336 1.00 0.00 H ATOM 971 H GLN A 106 43.996 95.932 14.220 1.00 0.00 H ATOM 972 N GLU A 107 46.340 94.345 12.402 1.00 23.04 N ATOM 973 CA GLU A 107 47.233 93.980 11.305 1.00 20.69 C ATOM 974 C GLU A 107 48.303 95.037 11.132 1.00 18.79 C ATOM 975 O GLU A 107 49.467 94.708 10.889 1.00 19.38 O ATOM 976 CB GLU A 107 46.458 93.799 10.002 1.00 30.20 C ATOM 977 CG GLU A 107 47.292 94.027 8.749 1.00 47.76 C ATOM 978 CD GLU A 107 46.589 94.926 7.714 1.00 54.02 C ATOM 979 OE1 GLU A 107 45.336 94.906 7.681 1.00 60.78 O ATOM 980 OE2 GLU A 107 47.289 95.658 6.959 1.00 34.95 O ATOM 981 H GLU A 107 45.317 94.436 12.240 1.00 0.00 H ATOM 982 N LEU A 108 47.944 96.311 11.343 1.00 35.48 N ATOM 983 CA LEU A 108 48.941 97.369 11.227 1.00 7.49 C ATOM 984 C LEU A 108 49.957 97.289 12.359 1.00 32.19 C ATOM 985 O LEU A 108 51.153 97.518 12.146 1.00 24.83 O ATOM 986 CB LEU A 108 48.262 98.740 11.213 1.00 16.73 C ATOM 987 CG LEU A 108 47.266 99.182 10.116 1.00 21.87 C ATOM 988 CD1 LEU A 108 46.801 100.608 10.395 1.00 9.36 C ATOM 989 CD2 LEU A 108 47.769 99.047 8.681 1.00 8.62 C ATOM 990 H LEU A 108 46.960 96.544 11.588 1.00 0.00 H ATOM 991 N LEU A 109 49.496 96.976 13.573 1.00 24.95 N ATOM 992 CA LEU A 109 50.384 96.922 14.734 1.00 14.37 C ATOM 993 C LEU A 109 51.305 95.705 14.693 1.00 13.39 C ATOM 994 O LEU A 109 52.523 95.829 14.906 1.00 5.51 O ATOM 995 CB LEU A 109 49.549 96.946 16.000 1.00 9.11 C ATOM 996 CG LEU A 109 49.074 98.359 16.304 1.00 13.39 C ATOM 997 CD1 LEU A 109 47.915 98.348 17.279 1.00 16.40 C ATOM 998 CD2 LEU A 109 50.252 99.169 16.862 1.00 23.37 C ATOM 999 H LEU A 109 48.485 96.766 13.695 1.00 0.00 H ATOM 1000 N SER A 110 50.758 94.518 14.398 1.00 7.28 N ATOM 1001 CA SER A 110 51.639 93.364 14.283 1.00 10.11 C ATOM 1002 C SER A 110 52.766 93.658 13.297 1.00 20.73 C ATOM 1003 O SER A 110 53.934 93.399 13.597 1.00 28.82 O ATOM 1004 CB SER A 110 50.864 92.108 13.871 1.00 12.32 C ATOM 1005 OG SER A 110 49.657 91.949 14.606 1.00 11.13 O ATOM 1006 HG SER A 110 49.073 92.733 14.452 1.00 0.00 H ATOM 1007 H SER A 110 49.732 94.423 14.255 1.00 0.00 H ATOM 1008 N ASP A 111 52.438 94.264 12.140 1.00 16.01 N ATOM 1009 CA ASP A 111 53.442 94.551 11.113 1.00 5.03 C ATOM 1010 C ASP A 111 54.408 95.655 11.539 1.00 23.90 C ATOM 1011 O ASP A 111 55.607 95.581 11.260 1.00 27.15 O ATOM 1012 CB ASP A 111 52.738 94.922 9.806 1.00 20.25 C ATOM 1013 CG ASP A 111 53.631 94.770 8.574 1.00 34.29 C ATOM 1014 OD1 ASP A 111 54.222 93.679 8.378 1.00 19.15 O ATOM 1015 OD2 ASP A 111 53.702 95.736 7.784 1.00 40.94 O ATOM 1016 H ASP A 111 51.448 94.535 11.972 1.00 0.00 H ATOM 1017 N ALA A 112 53.908 96.685 12.218 1.00 24.28 N ATOM 1018 CA ALA A 112 54.767 97.795 12.627 1.00 16.05 C ATOM 1019 C ALA A 112 55.731 97.386 13.727 1.00 12.79 C ATOM 1020 O ALA A 112 56.893 97.818 13.741 1.00 4.68 O ATOM 1021 CB ALA A 112 53.905 98.965 13.095 1.00 22.37 C ATOM 1022 H ALA A 112 52.897 96.700 12.460 1.00 0.00 H ATOM 1023 N ILE A 113 55.239 96.625 14.707 1.00 4.81 N ATOM 1024 CA ILE A 113 56.128 96.153 15.762 1.00 39.38 C ATOM 1025 C ILE A 113 57.125 95.159 15.186 1.00 33.36 C ATOM 1026 O ILE A 113 58.309 95.170 15.535 1.00 32.97 O ATOM 1027 CB ILE A 113 55.273 95.584 16.917 1.00 36.92 C ATOM 1028 CG1 ILE A 113 54.425 96.717 17.503 1.00 4.99 C ATOM 1029 CG2 ILE A 113 56.124 94.992 17.988 1.00 3.85 C ATOM 1030 CD1 ILE A 113 53.216 96.284 18.252 1.00 5.26 C ATOM 1031 H ILE A 113 54.231 96.371 14.718 1.00 0.00 H ATOM 1032 N ALA A 114 56.683 94.351 14.229 1.00 19.70 N ATOM 1033 CA ALA A 114 57.520 93.301 13.668 1.00 12.76 C ATOM 1034 C ALA A 114 58.723 93.874 12.947 1.00 13.36 C ATOM 1035 O ALA A 114 59.837 93.365 13.091 1.00 19.47 O ATOM 1036 CB ALA A 114 56.693 92.457 12.708 1.00 14.88 C ATOM 1037 H ALA A 114 55.714 94.472 13.871 1.00 0.00 H ATOM 1038 N LYS A 115 58.519 94.945 12.180 1.00 22.07 N ATOM 1039 CA LYS A 115 59.527 95.503 11.286 1.00 22.95 C ATOM 1040 C LYS A 115 60.262 96.685 11.885 1.00 18.87 C ATOM 1041 O LYS A 115 61.044 97.334 11.181 1.00 13.25 O ATOM 1042 CB LYS A 115 58.888 95.924 9.955 1.00 18.37 C ATOM 1043 CG LYS A 115 58.251 94.776 9.150 1.00 28.12 C ATOM 1044 CD LYS A 115 57.515 95.281 7.909 1.00 39.20 C ATOM 1045 CE LYS A 115 56.974 94.124 7.092 1.00 60.03 C ATOM 1046 NZ LYS A 115 56.129 94.588 5.953 1.00 81.41 N ATOM 1047 HZ1 LYS A 115 55.322 95.131 6.321 1.00 0.00 H ATOM 1048 HZ2 LYS A 115 56.697 95.191 5.325 1.00 0.00 H ATOM 1049 HZ3 LYS A 115 55.781 93.764 5.423 1.00 0.00 H ATOM 1050 H LYS A 115 57.589 95.409 12.221 1.00 0.00 H ATOM 1051 N SER A 116 60.053 96.972 13.165 1.00 22.62 N ATOM 1052 CA SER A 116 60.780 98.056 13.795 1.00 22.07 C ATOM 1053 C SER A 116 61.972 97.480 14.539 1.00 30.53 C ATOM 1054 O SER A 116 62.065 96.272 14.778 1.00 23.90 O ATOM 1055 CB SER A 116 59.891 98.870 14.748 1.00 27.73 C ATOM 1056 OG SER A 116 58.800 99.563 14.124 1.00 4.59 O ATOM 1057 HG SER A 116 58.208 98.908 13.676 1.00 0.00 H ATOM 1058 H SER A 116 59.367 96.418 13.716 1.00 0.00 H ATOM 1059 N ASN A 117 62.918 98.357 14.846 1.00 23.14 N ATOM 1060 CA ASN A 117 64.026 98.007 15.717 1.00 24.61 C ATOM 1061 C ASN A 117 63.634 98.287 17.170 1.00 29.34 C ATOM 1062 O ASN A 117 62.596 98.892 17.445 1.00 40.25 O ATOM 1063 CB ASN A 117 65.292 98.750 15.284 1.00 15.90 C ATOM 1064 CG ASN A 117 65.166 100.246 15.395 1.00 26.72 C ATOM 1065 OD1 ASN A 117 64.297 100.769 16.088 1.00 40.02 O ATOM 1066 ND2 ASN A 117 66.014 100.953 14.661 1.00 30.81 N ATOM 1067 HD22 ASN A 117 66.735 100.469 14.088 1.00 0.00 H ATOM 1068 HD21 ASN A 117 65.958 101.992 14.658 1.00 0.00 H ATOM 1069 H ASN A 117 62.865 99.319 14.454 1.00 0.00 H ATOM 1070 N GLN A 118 64.499 97.876 18.102 1.00 25.21 N ATOM 1071 CA GLN A 118 64.181 97.992 19.527 1.00 33.57 C ATOM 1072 C GLN A 118 63.755 99.412 19.923 1.00 37.10 C ATOM 1073 O GLN A 118 62.776 99.595 20.662 1.00 27.36 O ATOM 1074 CB GLN A 118 65.383 97.545 20.364 1.00 26.57 C ATOM 1075 CG GLN A 118 65.014 97.094 21.747 1.00 26.07 C ATOM 1076 CD GLN A 118 64.236 95.805 21.743 1.00 37.07 C ATOM 1077 OE1 GLN A 118 64.402 94.962 20.855 1.00 33.43 O ATOM 1078 NE2 GLN A 118 63.371 95.642 22.735 1.00 41.04 N ATOM 1079 HE22 GLN A 118 63.266 96.380 23.460 1.00 0.00 H ATOM 1080 HE21 GLN A 118 62.798 94.776 22.788 1.00 0.00 H ATOM 1081 H GLN A 118 65.411 97.468 17.811 1.00 0.00 H ATOM 1082 N ASP A 119 64.460 100.431 19.434 1.00 34.97 N ATOM 1083 CA ASP A 119 64.059 101.797 19.738 1.00 23.82 C ATOM 1084 C ASP A 119 62.609 102.041 19.346 1.00 31.78 C ATOM 1085 O ASP A 119 61.770 102.369 20.190 1.00 30.62 O ATOM 1086 CB ASP A 119 64.964 102.776 18.999 1.00 31.50 C ATOM 1087 CG ASP A 119 64.582 104.223 19.237 1.00 45.95 C ATOM 1088 OD1 ASP A 119 64.185 104.558 20.378 1.00 50.61 O ATOM 1089 OD2 ASP A 119 64.620 105.011 18.257 1.00 37.39 O ATOM 1090 H ASP A 119 65.293 100.251 18.838 1.00 0.00 H ATOM 1091 N HIS A 120 62.283 101.811 18.069 1.00 28.22 N ATOM 1092 CA HIS A 120 60.928 102.068 17.582 1.00 25.48 C ATOM 1093 C HIS A 120 59.909 101.110 18.174 1.00 20.97 C ATOM 1094 O HIS A 120 58.735 101.479 18.304 1.00 25.50 O ATOM 1095 CB HIS A 120 60.860 101.991 16.057 1.00 27.11 C ATOM 1096 CG HIS A 120 61.471 103.156 15.352 1.00 23.44 C ATOM 1097 ND1 HIS A 120 62.014 104.234 16.016 1.00 22.83 N ATOM 1098 CD2 HIS A 120 61.574 103.446 14.037 1.00 23.90 C ATOM 1099 CE1 HIS A 120 62.459 105.113 15.144 1.00 9.90 C ATOM 1100 NE2 HIS A 120 62.199 104.662 13.933 1.00 22.61 N ATOM 1101 H HIS A 120 63.003 101.445 17.414 1.00 0.00 H ATOM 1102 N LYS A 121 60.308 99.868 18.481 1.00 17.42 N ATOM 1103 CA LYS A 121 59.397 98.964 19.183 1.00 20.03 C ATOM 1104 C LYS A 121 58.975 99.557 20.516 1.00 20.71 C ATOM 1105 O LYS A 121 57.818 99.413 20.931 1.00 22.77 O ATOM 1106 CB LYS A 121 60.040 97.591 19.411 1.00 29.53 C ATOM 1107 CG LYS A 121 60.309 96.757 18.153 1.00 47.24 C ATOM 1108 CD LYS A 121 60.923 95.387 18.501 1.00 43.76 C ATOM 1109 CE LYS A 121 61.261 94.535 17.259 1.00 29.57 C ATOM 1110 NZ LYS A 121 60.118 93.695 16.846 1.00 28.45 N ATOM 1111 HZ1 LYS A 121 59.862 93.054 17.624 1.00 0.00 H ATOM 1112 HZ2 LYS A 121 59.307 94.304 16.615 1.00 0.00 H ATOM 1113 HZ3 LYS A 121 60.384 93.138 16.009 1.00 0.00 H ATOM 1114 H LYS A 121 61.263 99.548 18.221 1.00 0.00 H ATOM 1115 N GLU A 122 59.899 100.238 21.202 1.00 13.63 N ATOM 1116 CA GLU A 122 59.544 100.892 22.460 1.00 24.29 C ATOM 1117 C GLU A 122 58.479 101.955 22.245 1.00 33.75 C ATOM 1118 O GLU A 122 57.445 101.951 22.919 1.00 38.51 O ATOM 1119 CB GLU A 122 60.792 101.497 23.115 1.00 33.47 C ATOM 1120 CG GLU A 122 60.574 102.195 24.475 1.00 41.50 C ATOM 1121 CD GLU A 122 60.074 101.279 25.607 1.00 41.61 C ATOM 1122 OE1 GLU A 122 59.546 101.826 26.597 1.00 34.16 O ATOM 1123 OE2 GLU A 122 60.211 100.035 25.524 1.00 40.26 O ATOM 1124 H GLU A 122 60.872 100.302 20.840 1.00 0.00 H ATOM 1125 N LYS A 123 58.692 102.846 21.269 1.00 31.70 N ATOM 1126 CA LYS A 123 57.766 103.953 21.055 1.00 11.85 C ATOM 1127 C LYS A 123 56.390 103.477 20.630 1.00 15.13 C ATOM 1128 O LYS A 123 55.395 104.178 20.845 1.00 21.51 O ATOM 1129 CB LYS A 123 58.372 104.938 20.069 1.00 10.48 C ATOM 1130 CG LYS A 123 59.712 105.346 20.585 1.00 6.04 C ATOM 1131 CD LYS A 123 60.262 106.561 19.967 1.00 6.34 C ATOM 1132 CE LYS A 123 61.465 106.992 20.798 1.00 30.91 C ATOM 1133 NZ LYS A 123 62.281 108.089 20.205 1.00 20.12 N ATOM 1134 HZ1 LYS A 123 62.650 107.785 19.282 1.00 0.00 H ATOM 1135 HZ2 LYS A 123 61.687 108.933 20.081 1.00 0.00 H ATOM 1136 HZ3 LYS A 123 63.074 108.312 20.840 1.00 0.00 H ATOM 1137 H LYS A 123 59.527 102.748 20.656 1.00 0.00 H ATOM 1138 N ILE A 124 56.309 102.286 20.048 1.00 11.22 N ATOM 1139 CA ILE A 124 55.011 101.725 19.730 1.00 18.04 C ATOM 1140 C ILE A 124 54.296 101.307 20.999 1.00 25.52 C ATOM 1141 O ILE A 124 53.061 101.330 21.058 1.00 42.21 O ATOM 1142 CB ILE A 124 55.180 100.550 18.766 1.00 43.88 C ATOM 1143 CG1 ILE A 124 55.727 101.057 17.441 1.00 15.92 C ATOM 1144 CG2 ILE A 124 53.841 99.916 18.524 1.00 52.03 C ATOM 1145 CD1 ILE A 124 56.152 99.977 16.527 1.00 20.77 C ATOM 1146 H ILE A 124 57.175 101.757 19.821 1.00 0.00 H ATOM 1147 N ARG A 125 55.054 100.850 22.006 1.00 18.64 N ATOM 1148 CA ARG A 125 54.496 100.553 23.329 1.00 14.25 C ATOM 1149 C ARG A 125 53.905 101.802 23.981 1.00 12.16 C ATOM 1150 O ARG A 125 52.781 101.777 24.503 1.00 7.09 O ATOM 1151 CB ARG A 125 55.596 99.972 24.213 1.00 22.59 C ATOM 1152 CG ARG A 125 55.170 99.517 25.578 1.00 24.73 C ATOM 1153 CD ARG A 125 56.375 99.050 26.360 1.00 27.35 C ATOM 1154 NE ARG A 125 55.974 98.550 27.662 1.00 23.01 N ATOM 1155 CZ ARG A 125 55.809 97.267 27.936 1.00 34.64 C ATOM 1156 NH1 ARG A 125 56.025 96.356 26.985 1.00 30.63 N ATOM 1157 NH2 ARG A 125 55.425 96.901 29.159 1.00 36.20 N ATOM 1158 HE ARG A 125 55.807 99.240 28.422 1.00 0.00 H ATOM 1159 HH12 ARG A 125 55.897 95.345 27.194 1.00 0.00 H ATOM 1160 HH11 ARG A 125 56.321 96.657 26.035 1.00 0.00 H ATOM 1161 HH22 ARG A 125 55.293 95.894 29.383 1.00 0.00 H ATOM 1162 HH21 ARG A 125 55.258 97.622 29.889 1.00 0.00 H ATOM 1163 H ARG A 125 56.070 100.701 21.844 1.00 0.00 H ATOM 1164 N MET A 126 54.621 102.922 23.892 1.00 6.83 N ATOM 1165 CA MET A 126 54.088 104.188 24.370 1.00 18.76 C ATOM 1166 C MET A 126 52.778 104.514 23.681 1.00 23.16 C ATOM 1167 O MET A 126 51.824 104.953 24.330 1.00 8.56 O ATOM 1168 CB MET A 126 55.096 105.312 24.111 1.00 14.76 C ATOM 1169 CG MET A 126 56.498 105.138 24.718 1.00 9.11 C ATOM 1170 SD MET A 126 56.371 105.113 26.533 1.00 24.87 S ATOM 1171 CE MET A 126 56.581 103.356 26.903 1.00 13.55 C ATOM 1172 H MET A 126 55.573 102.891 23.475 1.00 0.00 H ATOM 1173 N LEU A 127 52.700 104.255 22.372 1.00 39.55 N ATOM 1174 CA LEU A 127 51.465 104.497 21.639 1.00 19.33 C ATOM 1175 C LEU A 127 50.339 103.605 22.138 1.00 14.64 C ATOM 1176 O LEU A 127 49.213 104.071 22.335 1.00 27.33 O ATOM 1177 CB LEU A 127 51.684 104.269 20.154 1.00 30.18 C ATOM 1178 CG LEU A 127 52.084 105.467 19.315 1.00 15.02 C ATOM 1179 CD1 LEU A 127 51.927 105.074 17.861 1.00 8.65 C ATOM 1180 CD2 LEU A 127 51.218 106.623 19.690 1.00 24.08 C ATOM 1181 H LEU A 127 53.530 103.877 21.872 1.00 0.00 H ATOM 1182 N LEU A 128 50.618 102.314 22.343 1.00 17.72 N ATOM 1183 CA LEU A 128 49.600 101.429 22.909 1.00 20.55 C ATOM 1184 C LEU A 128 49.068 101.931 24.241 1.00 27.32 C ATOM 1185 O LEU A 128 47.899 101.695 24.552 1.00 33.93 O ATOM 1186 CB LEU A 128 50.138 100.020 23.109 1.00 27.73 C ATOM 1187 CG LEU A 128 50.282 99.205 21.842 1.00 42.31 C ATOM 1188 CD1 LEU A 128 50.573 97.739 22.169 1.00 39.32 C ATOM 1189 CD2 LEU A 128 49.008 99.365 21.018 1.00 49.44 C ATOM 1190 H LEU A 128 51.557 101.939 22.100 1.00 0.00 H ATOM 1191 N ASP A 129 49.896 102.626 25.036 1.00 30.88 N ATOM 1192 CA ASP A 129 49.428 103.112 26.338 1.00 13.85 C ATOM 1193 C ASP A 129 48.432 104.252 26.161 1.00 10.70 C ATOM 1194 O ASP A 129 47.307 104.185 26.660 1.00 13.22 O ATOM 1195 CB ASP A 129 50.608 103.572 27.202 1.00 15.64 C ATOM 1196 CG ASP A 129 51.579 102.438 27.568 1.00 17.09 C ATOM 1197 OD1 ASP A 129 51.198 101.247 27.563 1.00 19.47 O ATOM 1198 OD2 ASP A 129 52.751 102.748 27.854 1.00 8.16 O ATOM 1199 H ASP A 129 50.870 102.820 24.729 1.00 0.00 H ATOM 1200 N ILE A 130 48.805 105.277 25.393 1.00 9.80 N ATOM 1201 CA ILE A 130 47.900 106.392 25.136 1.00 10.54 C ATOM 1202 C ILE A 130 46.579 105.907 24.550 1.00 33.83 C ATOM 1203 O ILE A 130 45.505 106.326 24.993 1.00 39.38 O ATOM 1204 CB ILE A 130 48.552 107.441 24.223 1.00 10.67 C ATOM 1205 CG1 ILE A 130 49.740 108.064 24.897 1.00 10.47 C ATOM 1206 CG2 ILE A 130 47.604 108.548 23.942 1.00 25.00 C ATOM 1207 CD1 ILE A 130 50.598 108.822 23.953 1.00 16.14 C ATOM 1208 H ILE A 130 49.756 105.281 24.971 1.00 0.00 H ATOM 1209 N TRP A 131 46.627 105.032 23.544 1.00 10.53 N ATOM 1210 CA TRP A 131 45.363 104.569 22.970 1.00 10.86 C ATOM 1211 C TRP A 131 44.558 103.788 23.994 1.00 31.67 C ATOM 1212 O TRP A 131 43.328 103.886 24.028 1.00 31.18 O ATOM 1213 CB TRP A 131 45.584 103.700 21.722 1.00 10.47 C ATOM 1214 CG TRP A 131 46.208 104.393 20.542 1.00 24.75 C ATOM 1215 CD1 TRP A 131 46.362 105.731 20.372 1.00 14.10 C ATOM 1216 CD2 TRP A 131 46.802 103.770 19.389 1.00 21.31 C ATOM 1217 NE1 TRP A 131 46.986 105.988 19.174 1.00 28.86 N ATOM 1218 CE2 TRP A 131 47.264 104.799 18.551 1.00 26.91 C ATOM 1219 CE3 TRP A 131 46.974 102.444 18.980 1.00 25.19 C ATOM 1220 CZ2 TRP A 131 47.882 104.547 17.325 1.00 27.70 C ATOM 1221 CZ3 TRP A 131 47.600 102.194 17.764 1.00 9.24 C ATOM 1222 CH2 TRP A 131 48.039 103.243 16.952 1.00 9.45 C ATOM 1223 HE1 TRP A 131 47.211 106.932 18.801 1.00 0.00 H ATOM 1224 H TRP A 131 47.538 104.688 23.178 1.00 0.00 H ATOM 1225 N ASP A 132 45.239 103.039 24.858 1.00 22.20 N ATOM 1226 CA ASP A 132 44.539 102.301 25.892 1.00 10.44 C ATOM 1227 C ASP A 132 43.832 103.242 26.843 1.00 32.77 C ATOM 1228 O ASP A 132 42.731 102.952 27.321 1.00 55.45 O ATOM 1229 CB ASP A 132 45.527 101.460 26.675 1.00 9.78 C ATOM 1230 CG ASP A 132 44.843 100.447 27.523 1.00 30.31 C ATOM 1231 OD1 ASP A 132 44.325 99.469 26.941 1.00 26.27 O ATOM 1232 OD2 ASP A 132 44.758 100.669 28.758 1.00 27.77 O ATOM 1233 H ASP A 132 46.275 102.983 24.792 1.00 0.00 H ATOM 1234 N ARG A 133 44.412 104.402 27.063 1.00 18.93 N ATOM 1235 CA ARG A 133 43.891 105.345 28.021 1.00 11.81 C ATOM 1236 C ARG A 133 42.902 106.322 27.391 1.00 29.71 C ATOM 1237 O ARG A 133 41.918 106.704 28.031 1.00 44.15 O ATOM 1238 CB ARG A 133 45.080 106.089 28.635 1.00 19.55 C ATOM 1239 CG ARG A 133 44.737 107.089 29.681 1.00 17.03 C ATOM 1240 CD ARG A 133 45.940 107.919 30.076 1.00 12.00 C ATOM 1241 NE ARG A 133 45.383 109.096 30.702 1.00 31.09 N ATOM 1242 CZ ARG A 133 46.058 110.153 31.121 1.00 41.21 C ATOM 1243 NH1 ARG A 133 47.374 110.212 30.967 1.00 44.39 N ATOM 1244 NH2 ARG A 133 45.386 111.171 31.667 1.00 29.50 N ATOM 1245 HE ARG A 133 44.352 109.114 30.836 1.00 0.00 H ATOM 1246 HH12 ARG A 133 47.899 111.046 31.299 1.00 0.00 H ATOM 1247 HH11 ARG A 133 47.880 109.424 30.515 1.00 0.00 H ATOM 1248 HH22 ARG A 133 45.898 112.012 32.003 1.00 0.00 H ATOM 1249 HH21 ARG A 133 44.351 111.123 31.756 1.00 0.00 H ATOM 1250 H ARG A 133 45.271 104.646 26.530 1.00 0.00 H ATOM 1251 N SER A 134 43.086 106.640 26.118 1.00 20.48 N ATOM 1252 CA SER A 134 42.219 107.550 25.391 1.00 13.21 C ATOM 1253 C SER A 134 40.916 106.906 24.989 1.00 13.50 C ATOM 1254 O SER A 134 39.924 107.612 24.769 1.00 14.16 O ATOM 1255 CB SER A 134 42.908 108.008 24.107 1.00 17.27 C ATOM 1256 OG SER A 134 44.169 108.558 24.402 1.00 36.63 O ATOM 1257 HG SER A 134 44.731 107.874 24.846 1.00 0.00 H ATOM 1258 H SER A 134 43.892 106.217 25.614 1.00 0.00 H ATOM 1259 N GLY A 135 40.902 105.586 24.859 1.00 13.04 N ATOM 1260 CA GLY A 135 39.756 104.923 24.272 1.00 13.28 C ATOM 1261 C GLY A 135 39.690 104.956 22.758 1.00 13.30 C ATOM 1262 O GLY A 135 38.615 104.708 22.205 1.00 13.67 O ATOM 1263 H GLY A 135 41.717 105.025 25.180 1.00 0.00 H ATOM 1264 N LEU A 136 40.784 105.310 22.068 1.00 12.96 N ATOM 1265 CA LEU A 136 40.729 105.441 20.612 1.00 28.62 C ATOM 1266 C LEU A 136 40.303 104.136 19.939 1.00 35.66 C ATOM 1267 O LEU A 136 39.380 104.128 19.121 1.00 23.42 O ATOM 1268 CB LEU A 136 42.077 105.922 20.064 1.00 30.04 C ATOM 1269 CG LEU A 136 42.244 106.073 18.542 1.00 18.98 C ATOM 1270 CD1 LEU A 136 41.255 107.083 17.974 1.00 13.40 C ATOM 1271 CD2 LEU A 136 43.661 106.490 18.212 1.00 12.23 C ATOM 1272 H LEU A 136 41.676 105.492 22.571 1.00 0.00 H ATOM 1273 N PHE A 137 40.929 103.017 20.301 1.00 12.12 N ATOM 1274 CA PHE A 137 40.594 101.728 19.717 1.00 11.93 C ATOM 1275 C PHE A 137 40.114 100.760 20.791 1.00 19.60 C ATOM 1276 O PHE A 137 40.413 100.935 21.977 1.00 35.08 O ATOM 1277 CB PHE A 137 41.795 101.166 18.977 1.00 30.61 C ATOM 1278 CG PHE A 137 42.314 102.095 17.934 1.00 34.74 C ATOM 1279 CD1 PHE A 137 41.460 102.604 16.968 1.00 32.14 C ATOM 1280 CD2 PHE A 137 43.652 102.431 17.888 1.00 29.66 C ATOM 1281 CE1 PHE A 137 41.920 103.471 16.012 1.00 23.61 C ATOM 1282 CE2 PHE A 137 44.122 103.285 16.928 1.00 20.67 C ATOM 1283 CZ PHE A 137 43.248 103.817 15.989 1.00 22.87 C ATOM 1284 H PHE A 137 41.678 103.067 21.021 1.00 0.00 H ATOM 1285 N GLN A 138 39.359 99.734 20.374 1.00 19.65 N ATOM 1286 CA GLN A 138 38.808 98.783 21.342 1.00 29.97 C ATOM 1287 C GLN A 138 39.931 98.143 22.126 1.00 29.87 C ATOM 1288 O GLN A 138 40.916 97.662 21.550 1.00 23.63 O ATOM 1289 CB GLN A 138 37.942 97.696 20.685 1.00 27.66 C ATOM 1290 CG GLN A 138 36.434 97.969 20.689 1.00 24.21 C ATOM 1291 CD GLN A 138 35.758 97.645 22.035 1.00 38.65 C ATOM 1292 OE1 GLN A 138 34.840 98.355 22.471 1.00 34.73 O ATOM 1293 NE2 GLN A 138 36.196 96.558 22.681 1.00 45.29 N ATOM 1294 HE22 GLN A 138 36.969 95.990 22.279 1.00 0.00 H ATOM 1295 HE21 GLN A 138 35.763 96.281 23.585 1.00 0.00 H ATOM 1296 H GLN A 138 39.164 99.613 19.360 1.00 0.00 H ATOM 1297 N LYS A 139 39.762 98.136 23.452 1.00 43.23 N ATOM 1298 CA LYS A 139 40.842 97.701 24.321 1.00 13.52 C ATOM 1299 C LYS A 139 41.204 96.241 24.075 1.00 9.88 C ATOM 1300 O LYS A 139 42.377 95.859 24.198 1.00 9.27 O ATOM 1301 CB LYS A 139 40.468 98.002 25.762 1.00 10.76 C ATOM 1302 CG LYS A 139 40.151 99.486 25.969 1.00 18.60 C ATOM 1303 CD LYS A 139 40.106 99.895 27.464 1.00 25.57 C ATOM 1304 CE LYS A 139 39.425 101.244 27.701 1.00 12.29 C ATOM 1305 NZ LYS A 139 40.014 102.368 26.929 1.00 21.11 N ATOM 1306 HZ1 LYS A 139 41.014 102.480 27.191 1.00 0.00 H ATOM 1307 HZ2 LYS A 139 39.942 102.164 25.912 1.00 0.00 H ATOM 1308 HZ3 LYS A 139 39.497 103.244 27.145 1.00 0.00 H ATOM 1309 H LYS A 139 38.857 98.442 23.862 1.00 0.00 H ATOM 1310 N SER A 140 40.214 95.425 23.699 1.00 10.07 N ATOM 1311 CA SER A 140 40.473 94.022 23.398 1.00 9.55 C ATOM 1312 C SER A 140 41.453 93.873 22.244 1.00 26.81 C ATOM 1313 O SER A 140 42.278 92.954 22.239 1.00 34.52 O ATOM 1314 CB SER A 140 39.159 93.320 23.106 1.00 16.75 C ATOM 1315 OG SER A 140 38.525 93.886 21.976 1.00 39.92 O ATOM 1316 HG SER A 140 37.672 93.413 21.806 1.00 0.00 H ATOM 1317 H SER A 140 39.246 95.796 23.620 1.00 0.00 H ATOM 1318 N TYR A 141 41.364 94.756 21.242 1.00 13.14 N ATOM 1319 CA TYR A 141 42.283 94.685 20.114 1.00 16.47 C ATOM 1320 C TYR A 141 43.691 94.995 20.577 1.00 8.47 C ATOM 1321 O TYR A 141 44.632 94.264 20.260 1.00 17.72 O ATOM 1322 CB TYR A 141 41.881 95.656 18.995 1.00 39.37 C ATOM 1323 CG TYR A 141 40.475 95.527 18.421 1.00 35.78 C ATOM 1324 CD1 TYR A 141 39.535 94.670 18.978 1.00 36.98 C ATOM 1325 CD2 TYR A 141 40.066 96.349 17.391 1.00 21.58 C ATOM 1326 CE1 TYR A 141 38.247 94.603 18.483 1.00 42.72 C ATOM 1327 CE2 TYR A 141 38.783 96.296 16.903 1.00 24.69 C ATOM 1328 CZ TYR A 141 37.878 95.416 17.440 1.00 31.20 C ATOM 1329 OH TYR A 141 36.592 95.357 16.959 1.00 25.39 O ATOM 1330 HH TYR A 141 36.084 94.671 17.461 1.00 0.00 H ATOM 1331 H TYR A 141 40.635 95.497 21.269 1.00 0.00 H ATOM 1332 N LEU A 142 43.861 96.087 21.324 1.00 18.61 N ATOM 1333 CA LEU A 142 45.194 96.415 21.838 1.00 37.33 C ATOM 1334 C LEU A 142 45.737 95.330 22.768 1.00 34.33 C ATOM 1335 O LEU A 142 46.932 95.020 22.708 1.00 18.99 O ATOM 1336 CB LEU A 142 45.167 97.769 22.549 1.00 28.47 C ATOM 1337 CG LEU A 142 44.476 98.852 21.716 1.00 27.93 C ATOM 1338 CD1 LEU A 142 43.989 100.002 22.588 1.00 27.94 C ATOM 1339 CD2 LEU A 142 45.426 99.351 20.628 1.00 9.10 C ATOM 1340 H LEU A 142 43.051 96.703 21.541 1.00 0.00 H ATOM 1341 N ASN A 143 44.873 94.696 23.576 1.00 34.86 N ATOM 1342 CA ASN A 143 45.328 93.634 24.479 1.00 25.88 C ATOM 1343 C ASN A 143 45.894 92.443 23.714 1.00 19.87 C ATOM 1344 O ASN A 143 46.920 91.872 24.101 1.00 6.24 O ATOM 1345 CB ASN A 143 44.193 93.166 25.377 1.00 7.74 C ATOM 1346 CG ASN A 143 43.743 94.202 26.346 1.00 15.80 C ATOM 1347 OD1 ASN A 143 44.398 95.225 26.553 1.00 8.27 O ATOM 1348 ND2 ASN A 143 42.577 93.960 26.941 1.00 26.91 N ATOM 1349 HD22 ASN A 143 42.060 93.082 26.734 1.00 0.00 H ATOM 1350 HD21 ASN A 143 42.183 94.649 27.613 1.00 0.00 H ATOM 1351 H ASN A 143 43.868 94.961 23.561 1.00 0.00 H ATOM 1352 N ALA A 144 45.224 92.030 22.645 1.00 25.22 N ATOM 1353 CA ALA A 144 45.788 90.961 21.834 1.00 18.46 C ATOM 1354 C ALA A 144 47.186 91.340 21.388 1.00 22.22 C ATOM 1355 O ALA A 144 48.113 90.522 21.423 1.00 22.10 O ATOM 1356 CB ALA A 144 44.890 90.679 20.632 1.00 6.76 C ATOM 1357 H ALA A 144 44.313 92.462 22.392 1.00 0.00 H ATOM 1358 N ILE A 145 47.370 92.603 21.034 1.00 6.29 N ATOM 1359 CA ILE A 145 48.677 93.065 20.611 1.00 11.12 C ATOM 1360 C ILE A 145 49.653 93.060 21.774 1.00 14.94 C ATOM 1361 O ILE A 145 50.745 92.497 21.686 1.00 17.48 O ATOM 1362 CB ILE A 145 48.551 94.453 19.967 1.00 13.36 C ATOM 1363 CG1 ILE A 145 47.933 94.303 18.588 1.00 24.29 C ATOM 1364 CG2 ILE A 145 49.877 95.138 19.878 1.00 6.09 C ATOM 1365 CD1 ILE A 145 48.696 93.317 17.698 1.00 24.09 C ATOM 1366 H ILE A 145 46.571 93.268 21.060 1.00 0.00 H ATOM 1367 N ARG A 146 49.263 93.659 22.888 1.00 33.60 N ATOM 1368 CA ARG A 146 50.159 93.713 24.036 1.00 25.50 C ATOM 1369 C ARG A 146 50.507 92.317 24.551 1.00 22.65 C ATOM 1370 O ARG A 146 51.652 92.062 24.952 1.00 16.76 O ATOM 1371 CB ARG A 146 49.487 94.535 25.114 1.00 36.05 C ATOM 1372 CG ARG A 146 50.313 94.847 26.298 1.00 43.79 C ATOM 1373 CD ARG A 146 49.454 95.626 27.234 1.00 42.89 C ATOM 1374 NE ARG A 146 49.284 96.997 26.802 1.00 40.73 N ATOM 1375 CZ ARG A 146 50.153 97.952 27.100 1.00 43.51 C ATOM 1376 NH1 ARG A 146 51.240 97.653 27.818 1.00 21.49 N ATOM 1377 NH2 ARG A 146 49.947 99.194 26.675 1.00 39.86 N ATOM 1378 HE ARG A 146 48.447 97.242 26.236 1.00 0.00 H ATOM 1379 HH12 ARG A 146 51.927 98.397 28.056 1.00 0.00 H ATOM 1380 HH11 ARG A 146 51.399 96.677 28.139 1.00 0.00 H ATOM 1381 HH22 ARG A 146 50.629 99.943 26.909 1.00 0.00 H ATOM 1382 HH21 ARG A 146 49.104 99.417 26.108 1.00 0.00 H ATOM 1383 H ARG A 146 48.318 94.091 22.944 1.00 0.00 H ATOM 1384 N SER A 147 49.545 91.386 24.523 1.00 17.62 N ATOM 1385 CA SER A 147 49.800 90.053 25.048 1.00 13.99 C ATOM 1386 C SER A 147 50.786 89.256 24.212 1.00 32.88 C ATOM 1387 O SER A 147 51.370 88.299 24.725 1.00 43.32 O ATOM 1388 CB SER A 147 48.497 89.271 25.191 1.00 26.13 C ATOM 1389 OG SER A 147 47.652 89.835 26.187 1.00 34.15 O ATOM 1390 HG SER A 147 47.431 90.768 25.941 1.00 0.00 H ATOM 1391 H SER A 147 48.612 91.616 24.125 1.00 0.00 H ATOM 1392 N LYS A 148 51.003 89.614 22.951 1.00 40.56 N ATOM 1393 CA LYS A 148 51.910 88.847 22.109 1.00 35.28 C ATOM 1394 C LYS A 148 53.238 89.542 21.858 1.00 32.83 C ATOM 1395 O LYS A 148 54.219 88.863 21.554 1.00 49.55 O ATOM 1396 CB LYS A 148 51.246 88.518 20.761 1.00 39.45 C ATOM 1397 CG LYS A 148 51.993 87.469 19.882 1.00 55.12 C ATOM 1398 CD LYS A 148 51.899 86.012 20.428 1.00 63.77 C ATOM 1399 CE LYS A 148 52.822 85.000 19.690 1.00 64.74 C ATOM 1400 NZ LYS A 148 52.320 84.513 18.356 1.00 65.98 N ATOM 1401 HZ1 LYS A 148 51.405 84.035 18.485 1.00 0.00 H ATOM 1402 HZ2 LYS A 148 52.202 85.323 17.715 1.00 0.00 H ATOM 1403 HZ3 LYS A 148 53.007 83.846 17.951 1.00 0.00 H ATOM 1404 H LYS A 148 50.521 90.449 22.562 1.00 0.00 H ATOM 1405 N CYS A 149 53.298 90.870 21.985 1.00 24.09 N ATOM 1406 CA CYS A 149 54.515 91.631 21.722 1.00 23.35 C ATOM 1407 C CYS A 149 55.130 92.374 22.909 1.00 22.02 C ATOM 1408 O CYS A 149 56.323 92.688 22.855 1.00 17.16 O ATOM 1409 CB CYS A 149 54.241 92.644 20.599 1.00 35.52 C ATOM 1410 SG CYS A 149 53.354 91.944 19.146 1.00 52.11 S ATOM 1411 H CYS A 149 52.443 91.382 22.283 1.00 0.00 H ATOM 1412 N PHE A 150 54.346 92.740 23.943 1.00 29.30 N ATOM 1413 CA PHE A 150 54.804 93.661 25.006 1.00 27.91 C ATOM 1414 C PHE A 150 54.502 93.088 26.394 1.00 28.57 C ATOM 1415 O PHE A 150 53.650 93.612 27.105 1.00 29.40 O ATOM 1416 CB PHE A 150 54.148 95.029 24.880 1.00 14.77 C ATOM 1417 CG PHE A 150 54.561 95.800 23.689 1.00 8.85 C ATOM 1418 CD1 PHE A 150 55.869 96.177 23.507 1.00 26.26 C ATOM 1419 CD2 PHE A 150 53.617 96.180 22.753 1.00 14.17 C ATOM 1420 CE1 PHE A 150 56.235 96.907 22.378 1.00 29.80 C ATOM 1421 CE2 PHE A 150 53.957 96.888 21.649 1.00 11.82 C ATOM 1422 CZ PHE A 150 55.275 97.259 21.451 1.00 25.86 C ATOM 1423 H PHE A 150 53.380 92.359 23.995 1.00 0.00 H ATOM 1424 N ALA A 151 55.233 92.066 26.807 1.00 31.98 N ATOM 1425 CA ALA A 151 54.850 91.370 28.024 1.00 34.58 C ATOM 1426 C ALA A 151 55.863 90.311 28.424 1.00 66.99 C ATOM 1427 O ALA A 151 55.568 89.460 29.264 1.00 83.23 O ATOM 1428 CB ALA A 151 53.466 90.735 27.849 1.00 9.13 C ATOM 1429 H ALA A 151 56.070 91.765 26.268 1.00 0.00 H TER 1430 ALA A 151 HETATM 1431 N GLU A 1 65.642 118.080 13.954 1.00 0.24 N HETATM 1432 CA GLU A 1 64.587 117.077 14.104 1.00 0.07 C HETATM 1433 C GLU A 1 63.240 117.698 14.489 1.00 0.23 C HETATM 1434 O GLU A 1 63.080 118.227 15.591 1.00 -0.39 O HETATM 1435 N GLU A 1 62.272 117.612 13.570 1.00 -0.26 N HETATM 1436 CA GLU A 1 60.898 118.014 13.837 1.00 0.14 C HETATM 1437 C GLU A 1 60.138 116.791 14.306 1.00 0.21 C HETATM 1438 O GLU A 1 59.717 115.963 13.490 1.00 -0.39 O HETATM 1439 N GLU A 1 59.912 116.664 15.577 1.00 -0.25 N HETATM 1440 CA GLU A 1 59.393 115.404 16.093 1.00 0.13 C HETATM 1441 C GLU A 1 57.896 115.476 16.304 1.00 0.20 C HETATM 1442 O GLU A 1 57.316 116.567 16.253 1.00 -0.39 O HETATM 1443 N GLU A 1 57.276 114.318 16.537 1.00 -0.26 N HETATM 1444 CA GLU A 1 55.852 114.225 16.835 1.00 0.14 C HETATM 1445 C GLU A 1 55.676 114.221 18.351 1.00 0.21 C HETATM 1446 O GLU A 1 56.235 113.362 19.044 1.00 -0.39 O HETATM 1447 N GLU A 1 54.895 115.180 18.857 1.00 -0.26 N HETATM 1448 CA GLU A 1 54.617 115.299 20.281 1.00 0.14 C HETATM 1449 C GLU A 1 53.466 114.383 20.655 1.00 0.21 C HETATM 1450 O GLU A 1 52.372 114.484 20.092 1.00 -0.39 O HETATM 1451 N GLU A 1 53.685 113.543 21.663 1.00 -0.26 N HETATM 1452 CA GLU A 1 52.726 112.497 22.005 1.00 0.13 C HETATM 1453 C GLU A 1 51.710 113.087 22.982 1.00 0.20 C HETATM 1454 O GLU A 1 51.673 112.782 24.176 1.00 -0.39 O HETATM 1455 N GLU A 1 50.882 113.975 22.432 1.00 -0.27 N HETATM 1456 CA GLU A 1 49.848 114.646 23.200 1.00 0.11 C HETATM 1457 C GLU A 1 48.738 115.191 22.313 1.00 0.06 C HETATM 1458 O GLU A 1 48.888 115.257 21.094 1.00 -0.57 O HETATM 1459 OXT GLU A 1 47.677 115.572 22.804 1.00 -0.57 O HETATM 1460 CB GLU A 1 50.451 115.778 24.014 1.00 0.07 C HETATM 1461 CG GLU A 1 49.911 115.815 25.403 1.00 0.18 C HETATM 1462 OD1 GLU A 1 48.767 116.225 25.618 1.00 -0.40 O HETATM 1463 ND2 GLU A 1 50.710 115.357 26.363 1.00 -0.30 N HETATM 1464 H48 GLU A 1 50.400 115.358 27.314 1.00 0.18 H HETATM 1465 H49 GLU A 1 51.620 115.012 26.134 1.00 0.18 H HETATM 1466 H46 GLU A 1 50.222 116.733 23.518 1.00 0.05 H HETATM 1467 H47 GLU A 1 51.541 115.641 24.060 1.00 0.05 H HETATM 1468 H45 GLU A 1 49.407 113.913 23.892 1.00 0.08 H HETATM 1469 H44 GLU A 1 50.976 114.186 21.459 1.00 0.19 H HETATM 1470 CB GLU A 1 53.445 111.280 22.573 1.00 -0.01 C HETATM 1471 CG GLU A 1 54.024 110.330 21.519 1.00 -0.04 C HETATM 1472 CD1 GLU A 1 55.051 109.349 22.088 1.00 -0.06 C HETATM 1473 H38 GLU A 1 55.424 108.700 21.282 1.00 0.02 H HETATM 1474 H39 GLU A 1 54.577 108.732 22.866 1.00 0.02 H HETATM 1475 H40 GLU A 1 55.890 109.909 22.526 1.00 0.02 H HETATM 1476 CD2 GLU A 1 52.892 109.567 20.861 1.00 -0.06 C HETATM 1477 H41 GLU A 1 52.158 110.278 20.454 1.00 0.02 H HETATM 1478 H42 GLU A 1 52.403 108.921 21.606 1.00 0.02 H HETATM 1479 H43 GLU A 1 53.293 108.948 20.045 1.00 0.02 H HETATM 1480 H37 GLU A 1 54.528 110.939 20.754 1.00 0.03 H HETATM 1481 H35 GLU A 1 52.729 110.715 23.188 1.00 0.03 H HETATM 1482 H36 GLU A 1 54.272 111.635 23.206 1.00 0.03 H HETATM 1483 H34 GLU A 1 52.195 112.186 21.093 1.00 0.08 H HETATM 1484 H33 GLU A 1 54.525 113.630 22.198 1.00 0.19 H HETATM 1485 CB GLU A 1 54.259 116.750 20.616 1.00 0.04 C HETATM 1486 CG GLU A 1 54.064 116.997 22.114 1.00 0.04 C HETATM 1487 OD1 GLU A 1 53.144 116.394 22.711 1.00 -0.57 O HETATM 1488 OD2 GLU A 1 54.813 117.818 22.692 1.00 -0.57 O HETATM 1489 H31 GLU A 1 53.325 117.008 20.096 1.00 0.05 H HETATM 1490 H32 GLU A 1 55.070 117.401 20.258 1.00 0.05 H HETATM 1491 H30 GLU A 1 55.511 115.007 20.851 1.00 0.08 H HETATM 1492 H29 GLU A 1 54.484 115.844 18.232 1.00 0.19 H HETATM 1493 CB GLU A 1 55.234 112.968 16.210 1.00 0.02 C HETATM 1494 CG GLU A 1 53.758 112.784 16.526 1.00 -0.05 C HETATM 1495 CD1 GLU A 1 52.823 113.714 16.115 1.00 -0.07 C HETATM 1496 CE1 GLU A 1 51.489 113.559 16.409 1.00 -0.04 C HETATM 1497 CZ GLU A 1 51.064 112.477 17.129 1.00 0.08 C HETATM 1498 CE2 GLU A 1 51.960 111.534 17.559 1.00 -0.04 C HETATM 1499 CD2 GLU A 1 53.306 111.692 17.257 1.00 -0.07 C HETATM 1500 H25 GLU A 1 54.018 110.949 17.598 1.00 0.05 H HETATM 1501 H27 GLU A 1 51.622 110.675 18.128 1.00 0.05 H HETATM 1502 OH GLU A 1 49.728 112.342 17.411 1.00 -0.34 O HETATM 1503 H28 GLU A 1 49.406 111.532 17.032 1.00 0.25 H HETATM 1504 H26 GLU A 1 50.772 114.297 16.069 1.00 0.05 H HETATM 1505 H24 GLU A 1 53.147 114.581 15.551 1.00 0.05 H HETATM 1506 H22 GLU A 1 55.780 112.090 16.585 1.00 0.05 H HETATM 1507 H23 GLU A 1 55.349 113.032 15.118 1.00 0.05 H HETATM 1508 H21 GLU A 1 55.343 115.106 16.418 1.00 0.08 H HETATM 1509 H20 GLU A 1 57.813 113.475 16.506 1.00 0.19 H HETATM 1510 CB GLU A 1 60.157 115.240 17.411 1.00 -0.01 C HETATM 1511 CG GLU A 1 60.519 116.674 17.828 1.00 -0.03 C HETATM 1512 CD GLU A 1 60.246 117.597 16.661 1.00 0.04 C HETATM 1513 H18 GLU A 1 59.404 118.270 16.878 1.00 0.05 H HETATM 1514 H19 GLU A 1 61.136 118.192 16.411 1.00 0.05 H HETATM 1515 H16 GLU A 1 61.584 116.724 18.099 1.00 0.03 H HETATM 1516 H17 GLU A 1 59.906 116.975 18.691 1.00 0.03 H HETATM 1517 H14 GLU A 1 61.065 114.638 17.261 1.00 0.03 H HETATM 1518 H15 GLU A 1 59.522 114.763 18.172 1.00 0.03 H HETATM 1519 H13 GLU A 1 59.619 114.575 15.406 1.00 0.08 H HETATM 1520 CB GLU A 1 60.219 118.586 12.595 1.00 0.04 C HETATM 1521 CG GLU A 1 58.782 118.998 12.857 1.00 0.04 C HETATM 1522 OD1 GLU A 1 58.419 119.179 14.043 1.00 -0.57 O HETATM 1523 OD2 GLU A 1 58.016 119.129 11.874 1.00 -0.57 O HETATM 1524 H11 GLU A 1 60.228 117.822 11.804 1.00 0.05 H HETATM 1525 H12 GLU A 1 60.783 119.468 12.259 1.00 0.05 H HETATM 1526 H10 GLU A 1 60.893 118.778 14.628 1.00 0.08 H HETATM 1527 H9 GLU A 1 62.501 117.257 12.663 1.00 0.19 H HETATM 1528 CB GLU A 1 64.982 116.021 15.146 1.00 0.02 C HETATM 1529 CG GLU A 1 63.874 115.038 15.427 1.00 0.01 C HETATM 1530 CD GLU A 1 63.708 114.048 14.291 1.00 0.04 C HETATM 1531 OE1 GLU A 1 62.721 114.168 13.537 1.00 -0.57 O HETATM 1532 OE2 GLU A 1 64.601 113.195 14.112 1.00 -0.57 O HETATM 1533 H7 GLU A 1 62.932 115.590 15.561 1.00 0.04 H HETATM 1534 H8 GLU A 1 64.110 114.487 16.349 1.00 0.04 H HETATM 1535 H5 GLU A 1 65.245 116.533 16.084 1.00 0.04 H HETATM 1536 H6 GLU A 1 65.857 115.468 14.773 1.00 0.04 H HETATM 1537 H4 GLU A 1 64.463 116.574 13.133 1.00 0.11 H HETATM 1538 H1 GLU A 1 66.505 117.625 13.701 1.00 0.20 H HETATM 1539 H2 GLU A 1 65.764 118.572 14.825 1.00 0.20 H HETATM 1540 H3 GLU A 1 65.383 118.734 13.232 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1431 1432 1538 1539 1540 CONECT 1432 1431 1433 1528 1537 CONECT 1433 1432 1434 1435 CONECT 1434 1433 CONECT 1435 1433 1436 1527 CONECT 1436 1435 1437 1520 1526 CONECT 1437 1436 1438 1439 CONECT 1438 1437 CONECT 1439 1437 1440 1512 CONECT 1440 1439 1441 1510 1519 CONECT 1441 1440 1442 1443 CONECT 1442 1441 CONECT 1443 1441 1444 1509 CONECT 1444 1443 1445 1493 1508 CONECT 1445 1444 1446 1447 CONECT 1446 1445 CONECT 1447 1445 1448 1492 CONECT 1448 1447 1449 1485 1491 CONECT 1449 1448 1450 1451 CONECT 1450 1449 CONECT 1451 1449 1452 1484 CONECT 1452 1451 1453 1470 1483 CONECT 1453 1452 1454 1455 CONECT 1454 1453 CONECT 1455 1453 1456 1469 CONECT 1456 1455 1457 1460 1468 CONECT 1457 1456 1458 1459 CONECT 1458 1457 CONECT 1459 1457 CONECT 1460 1456 1461 1466 1467 CONECT 1461 1460 1462 1463 CONECT 1462 1461 CONECT 1463 1461 1464 1465 CONECT 1464 1463 CONECT 1465 1463 CONECT 1466 1460 CONECT 1467 1460 CONECT 1468 1456 CONECT 1469 1455 CONECT 1470 1452 1471 1481 1482 CONECT 1471 1470 1472 1476 1480 CONECT 1472 1471 1473 1474 1475 CONECT 1473 1472 CONECT 1474 1472 CONECT 1475 1472 CONECT 1476 1471 1477 1478 1479 CONECT 1477 1476 CONECT 1478 1476 CONECT 1479 1476 CONECT 1480 1471 CONECT 1481 1470 CONECT 1482 1470 CONECT 1483 1452 CONECT 1484 1451 CONECT 1485 1448 1486 1489 1490 CONECT 1486 1485 1487 1488 CONECT 1487 1486 CONECT 1488 1486 CONECT 1489 1485 CONECT 1490 1485 CONECT 1491 1448 CONECT 1492 1447 CONECT 1493 1444 1494 1506 1507 CONECT 1494 1493 1495 1499 CONECT 1495 1494 1496 1505 CONECT 1496 1495 1497 1504 CONECT 1497 1496 1498 1502 CONECT 1498 1497 1499 1501 CONECT 1499 1494 1498 1500 CONECT 1500 1499 CONECT 1501 1498 CONECT 1502 1497 1503 CONECT 1503 1502 CONECT 1504 1496 CONECT 1505 1495 CONECT 1506 1493 CONECT 1507 1493 CONECT 1508 1444 CONECT 1509 1443 CONECT 1510 1440 1511 1517 1518 CONECT 1511 1510 1512 1515 1516 CONECT 1512 1439 1511 1513 1514 CONECT 1513 1512 CONECT 1514 1512 CONECT 1515 1511 CONECT 1516 1511 CONECT 1517 1510 CONECT 1518 1510 CONECT 1519 1440 CONECT 1520 1436 1521 1524 1525 CONECT 1521 1520 1522 1523 CONECT 1522 1521 CONECT 1523 1521 CONECT 1524 1520 CONECT 1525 1520 CONECT 1526 1436 CONECT 1527 1435 CONECT 1528 1432 1529 1535 1536 CONECT 1529 1528 1530 1533 1534 CONECT 1530 1529 1531 1532 CONECT 1531 1530 CONECT 1532 1530 CONECT 1533 1529 CONECT 1534 1529 CONECT 1535 1528 CONECT 1536 1528 CONECT 1537 1432 CONECT 1538 1431 CONECT 1539 1431 CONECT 1540 1431 MASTER 0 0 0 0 0 0 0 0 1539 1 114 12 END
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Entry Information
PDB ID
6o3y
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
yeast Nrd1 CID
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
Kd=38.4uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Structure Vol. 27: pp. 1156-1161.e4
Ligand Properties
Formula
C
3
7
H
5
3
N
8
O
1
6
Molecular Weight
865.861
Exact Mass
865.358
No. of atoms
114
No. of bonds
115
Polar Surface Area
405.97
LOGP Value
-0.22 (
Computed with XLOGP3
)
-1.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 28
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 2
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)O)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)[NH3+])CC(=O)O)Cc1ccc(cc1)O)CC(=O)O)C
InChI String
InChI=1S/C37H52N8O16/c1-17(2)12-21(32(55)44-25(37(60)61)14-27(39)47)40-34(57)23(15-29(50)51)41-33(56)22(13-18-5-7-19(46)8-6-18)42-35(58)26-4-3-11-45(26)36(59)24(16-30(52)53)43-31(54)20(38)9-10-28(48)49/h5-8,17,20-26,46H,3-4,9-16,38H2,1-2H3,(H2,39,47)(H,40,57)(H,41,56)(H,42,58)(H,43,54)(H,44,55)(H,48,49)(H,50,51)(H,52,53)(H,60,61)/p+1/t20-,21-,22-,23-,24-,25-,26-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P53617
Q00416
Entrez Gene ID
NCBI Entrez Gene ID:
855470
851150
ASD
Information of known allosteric effects of PDB entries
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