Browse entries in the PDBbind-CN Database
HEADER 6FA2_COMPLEX COMPND 6FA2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 167 MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA GLY GLY SEQRES 2 A 167 VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN ASN SEQRES 3 A 167 HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SER SEQRES 4 A 167 TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS LEU SEQRES 5 A 167 LEU ASP ILE LEU ASP THR ALA GLY HIS GLU GLU TYR SER SEQRES 6 A 167 ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY PHE SEQRES 7 A 167 LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE GLU SEQRES 8 A 167 ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL LYS SEQRES 9 A 167 ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN LYS SEQRES 10 A 167 CYS ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN ALA SEQRES 11 A 167 GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE GLU SEQRES 12 A 167 THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA PHE SEQRES 13 A 167 TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS HET MG A 1 1 HET D A 2W 64 ATOM 1 N MET A 1 62.912 97.106 31.302 1.00 82.96 N ATOM 2 CA MET A 1 62.009 96.800 30.167 1.00 76.70 C ATOM 3 C MET A 1 62.714 96.025 29.037 1.00 73.17 C ATOM 4 O MET A 1 63.938 96.038 28.927 1.00 69.51 O ATOM 5 CB MET A 1 61.417 98.106 29.638 1.00 80.84 C ATOM 6 CG MET A 1 62.347 99.025 28.830 1.00 87.67 C ATOM 7 SD MET A 1 64.027 99.375 29.421 1.00 97.15 S ATOM 8 CE MET A 1 63.776 100.888 30.367 1.00 86.34 C ATOM 9 HN3 MET A 1 63.706 97.686 30.965 1.00 0.00 H ATOM 10 HN2 MET A 1 63.276 96.218 31.703 1.00 0.00 H ATOM 11 HN1 MET A 1 62.385 97.627 32.032 1.00 0.00 H ATOM 12 N THR A 2 61.930 95.354 28.185 1.00 73.98 N ATOM 13 CA THR A 2 62.517 94.563 27.090 1.00 64.79 C ATOM 14 C THR A 2 63.109 95.420 25.967 1.00 59.98 C ATOM 15 O THR A 2 62.541 96.435 25.574 1.00 54.22 O ATOM 16 CB THR A 2 61.482 93.623 26.466 1.00 69.49 C ATOM 17 OG1 THR A 2 60.700 93.006 27.490 1.00 67.29 O ATOM 18 CG2 THR A 2 62.164 92.514 25.694 1.00 77.36 C ATOM 19 HG1 THR A 2 60.035 92.401 27.076 1.00 0.00 H ATOM 20 H THR A 2 60.897 95.391 28.297 1.00 0.00 H ATOM 21 N GLU A 3 64.233 94.970 25.412 1.00 54.02 N ATOM 22 CA GLU A 3 64.956 95.700 24.374 1.00 50.75 C ATOM 23 C GLU A 3 64.856 94.997 23.014 1.00 47.02 C ATOM 24 O GLU A 3 65.128 93.815 22.913 1.00 57.08 O ATOM 25 CB GLU A 3 66.388 95.794 24.822 1.00 51.72 C ATOM 26 CG GLU A 3 67.174 96.941 24.247 1.00 64.51 C ATOM 27 CD GLU A 3 68.556 97.043 24.903 1.00 77.10 C ATOM 28 OE1 GLU A 3 68.698 96.764 26.138 1.00 72.88 O ATOM 29 OE2 GLU A 3 69.524 97.376 24.197 1.00 76.16 O ATOM 30 H GLU A 3 64.613 94.057 25.733 1.00 0.00 H ATOM 31 N TYR A 4 64.448 95.715 21.969 1.00 45.25 N ATOM 32 CA TYR A 4 64.356 95.164 20.604 1.00 43.17 C ATOM 33 C TYR A 4 65.307 95.877 19.653 1.00 42.20 C ATOM 34 O TYR A 4 65.304 97.100 19.571 1.00 39.38 O ATOM 35 CB TYR A 4 62.931 95.315 20.099 1.00 44.91 C ATOM 36 CG TYR A 4 61.948 94.497 20.871 1.00 44.48 C ATOM 37 CD1 TYR A 4 61.857 93.134 20.668 1.00 45.43 C ATOM 38 CD2 TYR A 4 61.119 95.073 21.826 1.00 44.08 C ATOM 39 CE1 TYR A 4 60.955 92.367 21.395 1.00 48.63 C ATOM 40 CE2 TYR A 4 60.213 94.315 22.552 1.00 46.77 C ATOM 41 CZ TYR A 4 60.148 92.946 22.332 1.00 48.26 C ATOM 42 OH TYR A 4 59.274 92.158 23.027 1.00 52.56 O ATOM 43 HH TYR A 4 59.374 91.218 22.734 1.00 0.00 H ATOM 44 H TYR A 4 64.182 96.709 22.122 1.00 0.00 H ATOM 45 N LYS A 5 66.118 95.117 18.928 1.00 45.79 N ATOM 46 CA LYS A 5 67.124 95.693 18.012 1.00 46.60 C ATOM 47 C LYS A 5 66.591 95.606 16.584 1.00 44.48 C ATOM 48 O LYS A 5 66.526 94.529 16.015 1.00 43.41 O ATOM 49 CB LYS A 5 68.472 94.972 18.153 1.00 55.27 C ATOM 50 CG LYS A 5 68.925 94.917 19.604 1.00 69.49 C ATOM 51 CD LYS A 5 70.293 94.423 19.899 1.00 78.19 C ATOM 52 CE LYS A 5 70.282 93.668 21.251 1.00 90.65 C ATOM 53 NZ LYS A 5 71.634 93.452 21.794 1.00101.76 N ATOM 54 HZ1 LYS A 5 72.191 92.890 21.120 1.00 0.00 H ATOM 55 HZ2 LYS A 5 72.096 94.371 21.946 1.00 0.00 H ATOM 56 HZ3 LYS A 5 71.566 92.943 22.698 1.00 0.00 H ATOM 57 H LYS A 5 66.043 94.083 19.007 1.00 0.00 H ATOM 58 N LEU A 6 66.227 96.752 16.007 1.00 42.17 N ATOM 59 CA LEU A 6 65.580 96.820 14.694 1.00 38.09 C ATOM 60 C LEU A 6 66.476 97.477 13.661 1.00 37.90 C ATOM 61 O LEU A 6 67.063 98.504 13.913 1.00 44.81 O ATOM 62 CB LEU A 6 64.307 97.629 14.799 1.00 36.10 C ATOM 63 CG LEU A 6 63.389 97.316 15.982 1.00 39.26 C ATOM 64 CD1 LEU A 6 62.112 98.134 15.805 1.00 41.33 C ATOM 65 CD2 LEU A 6 63.027 95.836 16.080 1.00 40.12 C ATOM 66 H LEU A 6 66.411 97.641 16.514 1.00 0.00 H ATOM 67 N VAL A 7 66.537 96.905 12.479 1.00 36.90 N ATOM 68 CA VAL A 7 67.359 97.440 11.397 1.00 37.04 C ATOM 69 C VAL A 7 66.459 97.825 10.230 1.00 37.26 C ATOM 70 O VAL A 7 65.613 97.045 9.805 1.00 38.71 O ATOM 71 CB VAL A 7 68.367 96.373 10.922 1.00 38.37 C ATOM 72 CG1 VAL A 7 69.303 96.949 9.894 1.00 38.92 C ATOM 73 CG2 VAL A 7 69.165 95.833 12.107 1.00 39.46 C ATOM 74 H VAL A 7 65.981 96.043 12.309 1.00 0.00 H ATOM 75 N VAL A 8 66.637 99.030 9.708 1.00 35.54 N ATOM 76 CA VAL A 8 65.860 99.506 8.580 1.00 35.52 C ATOM 77 C VAL A 8 66.737 99.431 7.349 1.00 39.13 C ATOM 78 O VAL A 8 67.768 100.072 7.297 1.00 37.98 O ATOM 79 CB VAL A 8 65.393 100.969 8.790 1.00 36.19 C ATOM 80 CG1 VAL A 8 64.458 101.404 7.650 1.00 37.19 C ATOM 81 CG2 VAL A 8 64.718 101.121 10.135 1.00 35.33 C ATOM 82 H VAL A 8 67.358 99.655 10.121 1.00 0.00 H ATOM 83 N VAL A 9 66.305 98.660 6.353 1.00 42.31 N ATOM 84 CA VAL A 9 67.076 98.418 5.121 1.00 39.60 C ATOM 85 C VAL A 9 66.287 98.727 3.879 1.00 39.86 C ATOM 86 O VAL A 9 65.069 98.784 3.907 1.00 42.57 O ATOM 87 CB VAL A 9 67.610 96.969 5.058 1.00 39.80 C ATOM 88 CG1 VAL A 9 68.348 96.631 6.326 1.00 39.97 C ATOM 89 CG2 VAL A 9 66.508 95.968 4.876 1.00 41.73 C ATOM 90 H VAL A 9 65.375 98.205 6.450 1.00 0.00 H ATOM 91 N GLY A 10 66.994 98.923 2.782 1.00 38.85 N ATOM 92 CA GLY A 10 66.391 99.180 1.481 1.00 38.67 C ATOM 93 C GLY A 10 67.157 100.134 0.640 1.00 39.70 C ATOM 94 O GLY A 10 68.026 100.757 1.120 1.00 46.18 O ATOM 95 H GLY A 10 68.031 98.893 2.850 1.00 0.00 H ATOM 96 N ALA A 11 66.785 100.250 -0.621 1.00 40.47 N ATOM 97 CA ALA A 11 67.494 101.047 -1.640 1.00 37.81 C ATOM 98 C ALA A 11 67.666 102.508 -1.232 1.00 40.12 C ATOM 99 O ALA A 11 66.941 103.038 -0.387 1.00 43.10 O ATOM 100 CB ALA A 11 66.749 101.007 -2.957 1.00 37.07 C ATOM 101 H ALA A 11 65.928 99.742 -0.919 1.00 0.00 H ATOM 102 N GLY A 12 68.655 103.156 -1.838 1.00 40.83 N ATOM 103 CA GLY A 12 68.885 104.578 -1.646 1.00 42.16 C ATOM 104 C GLY A 12 67.622 105.368 -1.973 1.00 38.16 C ATOM 105 O GLY A 12 66.914 105.041 -2.893 1.00 40.97 O ATOM 106 H GLY A 12 69.287 102.627 -2.472 1.00 0.00 H ATOM 107 N GLY A 13 67.318 106.365 -1.156 1.00 37.90 N ATOM 108 CA GLY A 13 66.241 107.311 -1.410 1.00 39.66 C ATOM 109 C GLY A 13 64.794 106.863 -1.102 1.00 42.04 C ATOM 110 O GLY A 13 63.865 107.676 -1.277 1.00 37.71 O ATOM 111 H GLY A 13 67.878 106.478 -0.287 1.00 0.00 H ATOM 112 N VAL A 14 64.597 105.638 -0.625 1.00 41.80 N ATOM 113 CA VAL A 14 63.260 105.151 -0.383 1.00 41.76 C ATOM 114 C VAL A 14 62.576 105.751 0.862 1.00 40.38 C ATOM 115 O VAL A 14 61.359 105.663 1.012 1.00 40.34 O ATOM 116 CB VAL A 14 63.219 103.619 -0.238 1.00 46.46 C ATOM 117 CG1 VAL A 14 63.744 102.974 -1.489 1.00 47.64 C ATOM 118 CG2 VAL A 14 63.978 103.135 0.993 1.00 49.68 C ATOM 119 H VAL A 14 65.413 105.025 -0.424 1.00 0.00 H ATOM 120 N GLY A 15 63.366 106.330 1.759 1.00 42.36 N ATOM 121 CA GLY A 15 62.833 106.984 2.956 1.00 45.97 C ATOM 122 C GLY A 15 63.078 106.294 4.279 1.00 41.76 C ATOM 123 O GLY A 15 62.359 106.526 5.227 1.00 36.78 O ATOM 124 H GLY A 15 64.395 106.319 1.607 1.00 0.00 H ATOM 125 N LYS A 16 64.141 105.507 4.359 1.00 41.55 N ATOM 126 CA LYS A 16 64.511 104.840 5.605 1.00 40.95 C ATOM 127 C LYS A 16 64.746 105.840 6.731 1.00 37.47 C ATOM 128 O LYS A 16 64.254 105.644 7.835 1.00 33.02 O ATOM 129 CB LYS A 16 65.756 104.003 5.379 1.00 44.32 C ATOM 130 CG LYS A 16 65.595 102.884 4.359 1.00 47.13 C ATOM 131 CD LYS A 16 66.876 102.072 4.217 1.00 48.91 C ATOM 132 CE LYS A 16 68.092 102.853 3.728 1.00 49.98 C ATOM 133 NZ LYS A 16 67.896 103.534 2.395 1.00 46.55 N ATOM 134 HZ1 LYS A 16 67.680 102.820 1.671 1.00 0.00 H ATOM 135 HZ2 LYS A 16 67.107 104.208 2.464 1.00 0.00 H ATOM 136 HZ3 LYS A 16 68.766 104.041 2.135 1.00 0.00 H ATOM 137 H LYS A 16 64.727 105.360 3.513 1.00 0.00 H ATOM 138 N SER A 17 65.475 106.914 6.451 1.00 36.10 N ATOM 139 CA SER A 17 65.746 107.943 7.475 1.00 38.78 C ATOM 140 C SER A 17 64.494 108.759 7.792 1.00 36.64 C ATOM 141 O SER A 17 64.183 108.988 8.957 1.00 34.74 O ATOM 142 CB SER A 17 66.867 108.879 7.055 1.00 36.71 C ATOM 143 OG SER A 17 68.063 108.139 6.869 1.00 29.87 O ATOM 144 HG SER A 17 68.308 107.692 7.718 1.00 0.00 H ATOM 145 H SER A 17 65.862 107.033 5.493 1.00 0.00 H ATOM 146 N ALA A 18 63.769 109.161 6.759 1.00 34.84 N ATOM 147 CA ALA A 18 62.528 109.894 6.984 1.00 33.95 C ATOM 148 C ALA A 18 61.530 109.141 7.880 1.00 34.86 C ATOM 149 O ALA A 18 60.922 109.734 8.771 1.00 30.94 O ATOM 150 CB ALA A 18 61.894 110.252 5.657 1.00 35.34 C ATOM 151 H ALA A 18 64.084 108.955 5.790 1.00 0.00 H ATOM 152 N LEU A 19 61.390 107.832 7.657 1.00 38.33 N ATOM 153 CA LEU A 19 60.535 107.002 8.509 1.00 36.19 C ATOM 154 C LEU A 19 61.011 107.009 9.950 1.00 37.51 C ATOM 155 O LEU A 19 60.233 107.208 10.867 1.00 38.91 O ATOM 156 CB LEU A 19 60.504 105.559 8.017 1.00 39.66 C ATOM 157 CG LEU A 19 59.694 105.326 6.726 1.00 42.84 C ATOM 158 CD1 LEU A 19 59.959 103.907 6.242 1.00 42.38 C ATOM 159 CD2 LEU A 19 58.224 105.529 6.921 1.00 44.74 C ATOM 160 H LEU A 19 61.898 107.393 6.863 1.00 0.00 H ATOM 161 N THR A 20 62.303 106.778 10.145 1.00 38.41 N ATOM 162 CA THR A 20 62.886 106.712 11.473 1.00 33.95 C ATOM 163 C THR A 20 62.747 108.054 12.189 1.00 35.02 C ATOM 164 O THR A 20 62.292 108.098 13.327 1.00 33.30 O ATOM 165 CB THR A 20 64.366 106.302 11.410 1.00 36.72 C ATOM 166 OG1 THR A 20 64.503 105.050 10.702 1.00 42.11 O ATOM 167 CG2 THR A 20 64.912 106.115 12.805 1.00 38.28 C ATOM 168 HG1 THR A 20 64.154 105.153 9.781 1.00 0.00 H ATOM 169 H THR A 20 62.919 106.640 9.319 1.00 0.00 H ATOM 170 N ILE A 21 63.108 109.148 11.523 1.00 36.31 N ATOM 171 CA ILE A 21 63.033 110.487 12.125 1.00 38.79 C ATOM 172 C ILE A 21 61.576 110.845 12.425 1.00 39.57 C ATOM 173 O ILE A 21 61.279 111.506 13.421 1.00 35.94 O ATOM 174 CB ILE A 21 63.664 111.568 11.221 1.00 41.10 C ATOM 175 CG1 ILE A 21 65.167 111.291 10.983 1.00 43.57 C ATOM 176 CG2 ILE A 21 63.481 112.964 11.814 1.00 41.19 C ATOM 177 CD1 ILE A 21 65.986 111.231 12.252 1.00 44.46 C ATOM 178 H ILE A 21 63.454 109.053 10.547 1.00 0.00 H ATOM 179 N GLN A 22 60.661 110.419 11.568 1.00 42.59 N ATOM 180 CA GLN A 22 59.246 110.648 11.837 1.00 41.30 C ATOM 181 C GLN A 22 58.840 109.913 13.117 1.00 38.99 C ATOM 182 O GLN A 22 58.201 110.490 13.962 1.00 42.96 O ATOM 183 CB GLN A 22 58.400 110.240 10.641 1.00 42.27 C ATOM 184 CG GLN A 22 56.950 110.565 10.782 1.00 46.05 C ATOM 185 CD GLN A 22 56.636 112.036 10.850 1.00 41.00 C ATOM 186 OE1 GLN A 22 56.166 112.538 11.866 1.00 47.16 O ATOM 187 NE2 GLN A 22 56.838 112.706 9.765 1.00 35.04 N ATOM 188 HE22 GLN A 22 57.239 112.234 8.930 1.00 0.00 H ATOM 189 HE21 GLN A 22 56.600 113.718 9.726 1.00 0.00 H ATOM 190 H GLN A 22 60.951 109.921 10.703 1.00 0.00 H ATOM 191 N LEU A 23 59.269 108.675 13.293 1.00 36.64 N ATOM 192 CA LEU A 23 59.008 107.931 14.541 1.00 38.84 C ATOM 193 C LEU A 23 59.578 108.577 15.812 1.00 41.24 C ATOM 194 O LEU A 23 58.893 108.708 16.810 1.00 43.09 O ATOM 195 CB LEU A 23 59.569 106.511 14.437 1.00 42.05 C ATOM 196 CG LEU A 23 59.334 105.595 15.651 1.00 42.70 C ATOM 197 CD1 LEU A 23 57.880 105.145 15.677 1.00 45.63 C ATOM 198 CD2 LEU A 23 60.318 104.415 15.592 1.00 47.74 C ATOM 199 H LEU A 23 59.805 108.213 12.531 1.00 0.00 H ATOM 200 N ILE A 24 60.849 108.945 15.766 1.00 45.38 N ATOM 201 CA ILE A 24 61.561 109.468 16.933 1.00 44.13 C ATOM 202 C ILE A 24 61.193 110.907 17.272 1.00 45.45 C ATOM 203 O ILE A 24 60.936 111.206 18.429 1.00 52.70 O ATOM 204 CB ILE A 24 63.084 109.422 16.694 1.00 43.43 C ATOM 205 CG1 ILE A 24 63.556 107.972 16.444 1.00 41.43 C ATOM 206 CG2 ILE A 24 63.834 110.020 17.861 1.00 46.32 C ATOM 207 CD1 ILE A 24 63.194 106.975 17.506 1.00 39.29 C ATOM 208 H ILE A 24 61.362 108.859 14.865 1.00 0.00 H ATOM 209 N GLN A 25 61.202 111.789 16.274 1.00 46.44 N ATOM 210 CA GLN A 25 61.095 113.242 16.473 1.00 43.94 C ATOM 211 C GLN A 25 59.776 113.855 16.025 1.00 42.12 C ATOM 212 O GLN A 25 59.581 115.058 16.180 1.00 44.55 O ATOM 213 CB GLN A 25 62.237 113.922 15.708 1.00 48.42 C ATOM 214 CG GLN A 25 63.521 114.090 16.522 1.00 51.63 C ATOM 215 CD GLN A 25 64.591 114.740 15.680 1.00 58.77 C ATOM 216 OE1 GLN A 25 65.111 114.097 14.774 1.00 66.82 O ATOM 217 NE2 GLN A 25 64.905 116.026 15.942 1.00 70.49 N ATOM 218 HE22 GLN A 25 64.435 116.527 16.722 1.00 0.00 H ATOM 219 HE21 GLN A 25 65.617 116.516 15.363 1.00 0.00 H ATOM 220 H GLN A 25 61.289 111.431 15.302 1.00 0.00 H ATOM 221 N ASN A 26 58.872 113.062 15.461 1.00 41.76 N ATOM 222 CA ASN A 26 57.604 113.588 14.922 1.00 41.88 C ATOM 223 C ASN A 26 57.835 114.668 13.870 1.00 38.37 C ATOM 224 O ASN A 26 57.074 115.642 13.782 1.00 41.55 O ATOM 225 CB ASN A 26 56.707 114.110 16.072 1.00 49.62 C ATOM 226 CG ASN A 26 55.520 113.222 16.324 1.00 54.21 C ATOM 227 OD1 ASN A 26 55.622 112.251 17.093 1.00 61.01 O ATOM 228 ND2 ASN A 26 54.374 113.545 15.664 1.00 58.97 N ATOM 229 HD22 ASN A 26 54.353 114.372 15.033 1.00 0.00 H ATOM 230 HD21 ASN A 26 53.520 112.965 15.791 1.00 0.00 H ATOM 231 H ASN A 26 59.064 112.042 15.398 1.00 0.00 H ATOM 232 N HIS A 27 58.873 114.483 13.067 1.00 38.92 N ATOM 233 CA HIS A 27 59.319 115.466 12.097 1.00 38.06 C ATOM 234 C HIS A 27 59.586 114.829 10.737 1.00 38.17 C ATOM 235 O HIS A 27 60.221 113.771 10.656 1.00 39.53 O ATOM 236 CB HIS A 27 60.578 116.142 12.634 1.00 40.39 C ATOM 237 CG HIS A 27 61.193 117.129 11.682 1.00 43.70 C ATOM 238 ND1 HIS A 27 60.565 118.302 11.307 1.00 44.10 N ATOM 239 CD2 HIS A 27 62.395 117.118 11.056 1.00 42.69 C ATOM 240 CE1 HIS A 27 61.357 118.955 10.474 1.00 49.30 C ATOM 241 NE2 HIS A 27 62.475 118.258 10.310 1.00 45.25 N ATOM 242 H HIS A 27 59.395 113.586 13.136 1.00 0.00 H ATOM 243 N PHE A 28 59.102 115.475 9.687 1.00 37.43 N ATOM 244 CA PHE A 28 59.404 115.065 8.323 1.00 40.40 C ATOM 245 C PHE A 28 60.620 115.811 7.811 1.00 42.16 C ATOM 246 O PHE A 28 60.627 117.045 7.836 1.00 45.94 O ATOM 247 CB PHE A 28 58.219 115.349 7.411 1.00 39.58 C ATOM 248 CG PHE A 28 58.467 115.035 5.976 1.00 36.31 C ATOM 249 CD1 PHE A 28 58.843 113.774 5.594 1.00 38.44 C ATOM 250 CD2 PHE A 28 58.325 116.007 5.006 1.00 37.21 C ATOM 251 CE1 PHE A 28 59.095 113.474 4.254 1.00 36.10 C ATOM 252 CE2 PHE A 28 58.570 115.735 3.679 1.00 36.40 C ATOM 253 CZ PHE A 28 58.951 114.457 3.306 1.00 37.65 C ATOM 254 H PHE A 28 58.488 116.300 9.841 1.00 0.00 H ATOM 255 N VAL A 29 61.628 115.070 7.356 1.00 42.25 N ATOM 256 CA VAL A 29 62.802 115.668 6.699 1.00 48.51 C ATOM 257 C VAL A 29 62.579 115.768 5.187 1.00 53.89 C ATOM 258 O VAL A 29 62.380 114.752 4.505 1.00 51.74 O ATOM 259 CB VAL A 29 64.145 114.951 7.032 1.00 50.22 C ATOM 260 CG1 VAL A 29 64.328 114.807 8.533 1.00 50.77 C ATOM 261 CG2 VAL A 29 64.220 113.564 6.416 1.00 58.50 C ATOM 262 H VAL A 29 61.585 114.037 7.468 1.00 0.00 H ATOM 263 N ASP A 30 62.609 117.002 4.671 1.00 64.43 N ATOM 264 CA ASP A 30 62.393 117.252 3.247 1.00 68.76 C ATOM 265 C ASP A 30 63.682 117.042 2.450 1.00 67.02 C ATOM 266 O ASP A 30 63.669 116.397 1.411 1.00 63.29 O ATOM 267 CB ASP A 30 61.817 118.656 2.998 1.00 79.96 C ATOM 268 CG ASP A 30 60.897 118.688 1.758 1.00 95.89 C ATOM 269 OD1 ASP A 30 61.332 118.209 0.681 1.00103.70 O ATOM 270 OD2 ASP A 30 59.723 119.153 1.862 1.00 92.98 O ATOM 271 H ASP A 30 62.792 117.808 5.302 1.00 0.00 H ATOM 272 N GLU A 31 64.785 117.594 2.950 1.00 72.88 N ATOM 273 CA GLU A 31 66.116 117.398 2.375 1.00 69.37 C ATOM 274 C GLU A 31 66.545 115.928 2.385 1.00 62.80 C ATOM 275 O GLU A 31 66.191 115.196 3.288 1.00 59.82 O ATOM 276 CB GLU A 31 67.158 118.273 3.109 1.00 82.39 C ATOM 277 CG GLU A 31 67.400 118.001 4.606 1.00 97.43 C ATOM 278 CD GLU A 31 66.312 118.551 5.545 1.00103.54 C ATOM 279 OE1 GLU A 31 65.672 119.568 5.216 1.00108.51 O ATOM 280 OE2 GLU A 31 66.075 117.970 6.619 1.00 97.28 O ATOM 281 H GLU A 31 64.696 118.196 3.793 1.00 0.00 H ATOM 282 N TYR A 32 67.303 115.524 1.369 1.00 63.57 N ATOM 283 CA TYR A 32 67.824 114.165 1.193 1.00 62.90 C ATOM 284 C TYR A 32 69.326 114.182 1.565 1.00 66.43 C ATOM 285 O TYR A 32 70.148 114.559 0.742 1.00 60.32 O ATOM 286 CB TYR A 32 67.591 113.738 -0.270 1.00 60.69 C ATOM 287 CG TYR A 32 68.021 112.328 -0.734 1.00 63.19 C ATOM 288 CD1 TYR A 32 68.828 111.498 0.050 1.00 59.37 C ATOM 289 CD2 TYR A 32 67.640 111.846 -2.013 1.00 62.06 C ATOM 290 CE1 TYR A 32 69.243 110.254 -0.401 1.00 65.30 C ATOM 291 CE2 TYR A 32 68.027 110.586 -2.472 1.00 58.38 C ATOM 292 CZ TYR A 32 68.862 109.806 -1.671 1.00 67.04 C ATOM 293 OH TYR A 32 69.260 108.536 -2.060 1.00 73.87 O ATOM 294 HH TYR A 32 69.845 108.147 -1.363 1.00 0.00 H ATOM 295 H TYR A 32 67.545 116.228 0.642 1.00 0.00 H ATOM 296 N ASP A 33 69.645 113.782 2.809 1.00 70.64 N ATOM 297 CA ASP A 33 71.037 113.602 3.308 1.00 66.03 C ATOM 298 C ASP A 33 71.399 112.102 3.406 1.00 54.21 C ATOM 299 O ASP A 33 70.948 111.435 4.311 1.00 53.65 O ATOM 300 CB ASP A 33 71.232 114.284 4.677 1.00 69.66 C ATOM 301 CG ASP A 33 70.985 115.801 4.629 1.00 96.82 C ATOM 302 OD1 ASP A 33 71.347 116.478 3.622 1.00108.33 O ATOM 303 OD2 ASP A 33 70.423 116.316 5.623 1.00122.00 O ATOM 304 H ASP A 33 68.865 113.585 3.468 1.00 0.00 H ATOM 305 N PRO A 34 72.202 111.567 2.457 1.00 49.16 N ATOM 306 CA PRO A 34 72.442 110.103 2.473 1.00 45.20 C ATOM 307 C PRO A 34 73.120 109.600 3.741 1.00 42.37 C ATOM 308 O PRO A 34 73.932 110.303 4.323 1.00 43.56 O ATOM 309 CB PRO A 34 73.325 109.867 1.255 1.00 44.09 C ATOM 310 CG PRO A 34 73.029 111.012 0.325 1.00 45.73 C ATOM 311 CD PRO A 34 72.722 112.188 1.208 1.00 47.39 C ATOM 312 N THR A 35 72.741 108.400 4.170 1.00 39.94 N ATOM 313 CA THR A 35 73.105 107.857 5.450 1.00 42.05 C ATOM 314 C THR A 35 74.248 106.909 5.242 1.00 43.45 C ATOM 315 O THR A 35 74.304 106.263 4.224 1.00 42.60 O ATOM 316 CB THR A 35 71.904 107.120 6.086 1.00 41.83 C ATOM 317 OG1 THR A 35 70.784 108.014 6.148 1.00 44.29 O ATOM 318 CG2 THR A 35 72.178 106.615 7.508 1.00 41.21 C ATOM 319 HG1 THR A 35 70.012 107.546 6.555 1.00 0.00 H ATOM 320 H THR A 35 72.147 107.821 3.543 1.00 0.00 H ATOM 321 N ILE A 36 75.180 106.836 6.187 1.00 46.39 N ATOM 322 CA ILE A 36 76.117 105.728 6.248 1.00 47.28 C ATOM 323 C ILE A 36 75.527 104.740 7.256 1.00 46.11 C ATOM 324 O ILE A 36 75.182 103.611 6.899 1.00 44.21 O ATOM 325 CB ILE A 36 77.570 106.189 6.579 1.00 51.99 C ATOM 326 CG1 ILE A 36 78.064 107.212 5.512 1.00 53.63 C ATOM 327 CG2 ILE A 36 78.508 104.977 6.650 1.00 51.33 C ATOM 328 CD1 ILE A 36 79.124 108.184 6.006 1.00 56.85 C ATOM 329 H ILE A 36 75.240 107.591 6.900 1.00 0.00 H ATOM 330 N GLU A 37 75.421 105.181 8.505 1.00 45.55 N ATOM 331 CA GLU A 37 74.911 104.380 9.618 1.00 45.56 C ATOM 332 C GLU A 37 74.626 105.399 10.739 1.00 52.17 C ATOM 333 O GLU A 37 75.471 106.229 11.094 1.00 53.62 O ATOM 334 CB GLU A 37 75.898 103.280 10.045 1.00 47.37 C ATOM 335 CG GLU A 37 75.459 102.394 11.209 1.00 48.14 C ATOM 336 CD GLU A 37 76.572 101.515 11.781 1.00 53.71 C ATOM 337 OE1 GLU A 37 77.503 101.132 11.057 1.00 57.15 O ATOM 338 OE2 GLU A 37 76.537 101.178 12.979 1.00 56.81 O ATOM 339 H GLU A 37 75.719 106.157 8.704 1.00 0.00 H ATOM 340 N ASP A 38 73.384 105.376 11.210 1.00 53.87 N ATOM 341 CA ASP A 38 72.864 106.196 12.300 1.00 51.56 C ATOM 342 C ASP A 38 72.024 105.332 13.231 1.00 47.54 C ATOM 343 O ASP A 38 71.235 104.510 12.760 1.00 49.92 O ATOM 344 CB ASP A 38 71.968 107.289 11.721 1.00 57.53 C ATOM 345 CG ASP A 38 72.687 108.579 11.493 1.00 60.91 C ATOM 346 OD1 ASP A 38 73.114 109.179 12.479 1.00 81.92 O ATOM 347 OD2 ASP A 38 72.832 109.007 10.341 1.00 66.14 O ATOM 348 H ASP A 38 72.721 104.713 10.761 1.00 0.00 H ATOM 349 N SER A 39 72.135 105.531 14.541 1.00 48.43 N ATOM 350 CA SER A 39 71.335 104.776 15.527 1.00 49.92 C ATOM 351 C SER A 39 70.475 105.655 16.429 1.00 46.06 C ATOM 352 O SER A 39 70.858 106.753 16.774 1.00 41.57 O ATOM 353 CB SER A 39 72.211 103.847 16.374 1.00 50.84 C ATOM 354 OG SER A 39 73.379 104.486 16.731 1.00 59.10 O ATOM 355 HG SER A 39 73.934 103.875 17.277 1.00 0.00 H ATOM 356 H SER A 39 72.810 106.244 14.884 1.00 0.00 H ATOM 357 N TYR A 40 69.310 105.135 16.784 1.00 46.24 N ATOM 358 CA TYR A 40 68.276 105.867 17.500 1.00 45.24 C ATOM 359 C TYR A 40 67.681 104.969 18.550 1.00 42.37 C ATOM 360 O TYR A 40 67.851 103.753 18.526 1.00 38.80 O ATOM 361 CB TYR A 40 67.142 106.323 16.555 1.00 47.32 C ATOM 362 CG TYR A 40 67.586 107.217 15.452 1.00 42.41 C ATOM 363 CD1 TYR A 40 68.106 106.707 14.283 1.00 42.57 C ATOM 364 CD2 TYR A 40 67.491 108.595 15.580 1.00 46.32 C ATOM 365 CE1 TYR A 40 68.538 107.548 13.254 1.00 42.58 C ATOM 366 CE2 TYR A 40 67.885 109.446 14.547 1.00 49.27 C ATOM 367 CZ TYR A 40 68.385 108.908 13.383 1.00 44.65 C ATOM 368 OH TYR A 40 68.815 109.718 12.383 1.00 49.82 O ATOM 369 HH TYR A 40 69.139 109.165 11.628 1.00 0.00 H ATOM 370 H TYR A 40 69.123 104.143 16.536 1.00 0.00 H ATOM 371 N ARG A 41 66.918 105.575 19.439 1.00 45.50 N ATOM 372 CA ARG A 41 66.401 104.888 20.603 1.00 47.60 C ATOM 373 C ARG A 41 65.074 105.478 21.046 1.00 48.20 C ATOM 374 O ARG A 41 64.916 106.694 21.102 1.00 45.82 O ATOM 375 CB ARG A 41 67.420 105.017 21.708 1.00 52.75 C ATOM 376 CG ARG A 41 67.580 103.745 22.474 1.00 64.47 C ATOM 377 CD ARG A 41 68.806 103.741 23.340 1.00 78.10 C ATOM 378 NE ARG A 41 69.115 102.358 23.633 1.00 83.79 N ATOM 379 CZ ARG A 41 70.183 101.913 24.264 1.00 86.66 C ATOM 380 NH1 ARG A 41 71.065 102.773 24.768 1.00 96.38 N ATOM 381 NH2 ARG A 41 70.344 100.597 24.435 1.00 84.11 N ATOM 382 HE ARG A 41 68.427 101.646 23.315 1.00 0.00 H ATOM 383 HH12 ARG A 41 71.908 102.422 25.266 1.00 0.00 H ATOM 384 HH11 ARG A 41 70.911 103.796 24.664 1.00 0.00 H ATOM 385 HH22 ARG A 41 71.183 100.236 24.932 1.00 0.00 H ATOM 386 HH21 ARG A 41 69.630 99.934 24.071 1.00 0.00 H ATOM 387 H ARG A 41 66.681 106.578 19.299 1.00 0.00 H ATOM 388 N LYS A 42 64.110 104.623 21.357 1.00 51.70 N ATOM 389 CA LYS A 42 62.817 105.109 21.816 1.00 53.45 C ATOM 390 C LYS A 42 62.133 104.125 22.724 1.00 50.62 C ATOM 391 O LYS A 42 62.119 102.942 22.439 1.00 46.46 O ATOM 392 CB LYS A 42 61.924 105.387 20.623 1.00 56.00 C ATOM 393 CG LYS A 42 60.850 106.386 20.965 1.00 63.48 C ATOM 394 CD LYS A 42 59.738 106.451 19.950 1.00 70.09 C ATOM 395 CE LYS A 42 58.809 107.602 20.292 1.00 75.31 C ATOM 396 NZ LYS A 42 57.582 107.497 19.451 1.00 86.54 N ATOM 397 HZ1 LYS A 42 57.847 107.544 18.446 1.00 0.00 H ATOM 398 HZ2 LYS A 42 57.108 106.592 19.644 1.00 0.00 H ATOM 399 HZ3 LYS A 42 56.939 108.282 19.679 1.00 0.00 H ATOM 400 H LYS A 42 64.278 103.600 21.273 1.00 0.00 H ATOM 401 N GLN A 43 61.544 104.617 23.805 1.00 53.55 N ATOM 402 CA GLN A 43 60.714 103.770 24.659 1.00 50.90 C ATOM 403 C GLN A 43 59.282 103.923 24.209 1.00 48.70 C ATOM 404 O GLN A 43 58.810 105.036 23.995 1.00 57.35 O ATOM 405 CB GLN A 43 60.853 104.140 26.128 1.00 55.27 C ATOM 406 CG GLN A 43 60.232 103.099 27.039 1.00 63.80 C ATOM 407 CD GLN A 43 60.687 103.212 28.488 1.00 71.88 C ATOM 408 OE1 GLN A 43 61.575 102.475 28.922 1.00 76.02 O ATOM 409 NE2 GLN A 43 60.079 104.130 29.243 1.00 70.26 N ATOM 410 HE22 GLN A 43 59.335 104.730 28.834 1.00 0.00 H ATOM 411 HE21 GLN A 43 60.350 104.245 30.241 1.00 0.00 H ATOM 412 H GLN A 43 61.674 105.620 24.049 1.00 0.00 H ATOM 413 N VAL A 44 58.593 102.810 24.017 1.00 46.83 N ATOM 414 CA VAL A 44 57.184 102.827 23.643 1.00 46.65 C ATOM 415 C VAL A 44 56.456 101.722 24.380 1.00 44.67 C ATOM 416 O VAL A 44 57.079 100.830 24.942 1.00 48.95 O ATOM 417 CB VAL A 44 56.976 102.623 22.110 1.00 51.82 C ATOM 418 CG1 VAL A 44 57.593 103.751 21.310 1.00 49.73 C ATOM 419 CG2 VAL A 44 57.561 101.315 21.624 1.00 49.14 C ATOM 420 H VAL A 44 59.071 101.894 24.137 1.00 0.00 H ATOM 421 N VAL A 45 55.131 101.770 24.341 1.00 43.95 N ATOM 422 CA VAL A 45 54.300 100.699 24.862 1.00 42.32 C ATOM 423 C VAL A 45 53.632 100.062 23.665 1.00 41.88 C ATOM 424 O VAL A 45 53.004 100.753 22.885 1.00 45.87 O ATOM 425 CB VAL A 45 53.254 101.215 25.872 1.00 40.94 C ATOM 426 CG1 VAL A 45 52.442 100.063 26.438 1.00 39.83 C ATOM 427 CG2 VAL A 45 53.970 101.939 27.002 1.00 41.28 C ATOM 428 H VAL A 45 54.671 102.604 23.923 1.00 0.00 H ATOM 429 N ILE A 46 53.794 98.749 23.530 1.00 40.36 N ATOM 430 CA ILE A 46 53.222 97.987 22.445 1.00 41.35 C ATOM 431 C ILE A 46 52.521 96.803 23.057 1.00 43.88 C ATOM 432 O ILE A 46 53.160 95.982 23.709 1.00 40.51 O ATOM 433 CB ILE A 46 54.325 97.478 21.478 1.00 42.33 C ATOM 434 CG1 ILE A 46 55.079 98.642 20.847 1.00 44.75 C ATOM 435 CG2 ILE A 46 53.711 96.605 20.388 1.00 39.94 C ATOM 436 CD1 ILE A 46 56.364 98.286 20.205 1.00 45.77 C ATOM 437 H ILE A 46 54.361 98.246 24.242 1.00 0.00 H ATOM 438 N ASP A 47 51.212 96.698 22.831 1.00 49.40 N ATOM 439 CA ASP A 47 50.397 95.626 23.414 1.00 51.99 C ATOM 440 C ASP A 47 50.578 95.505 24.926 1.00 53.07 C ATOM 441 O ASP A 47 50.593 94.395 25.475 1.00 51.29 O ATOM 442 CB ASP A 47 50.677 94.276 22.746 1.00 53.71 C ATOM 443 CG ASP A 47 50.316 94.251 21.265 1.00 59.67 C ATOM 444 OD1 ASP A 47 49.429 95.017 20.830 1.00 65.69 O ATOM 445 OD2 ASP A 47 50.896 93.414 20.543 1.00 61.67 O ATOM 446 H ASP A 47 50.751 97.401 22.219 1.00 0.00 H ATOM 447 N GLY A 48 50.726 96.649 25.590 1.00 53.98 N ATOM 448 CA GLY A 48 50.871 96.679 27.026 1.00 59.41 C ATOM 449 C GLY A 48 52.254 96.442 27.589 1.00 65.80 C ATOM 450 O GLY A 48 52.464 96.731 28.763 1.00 73.18 O ATOM 451 H GLY A 48 50.737 97.544 25.061 1.00 0.00 H ATOM 452 N GLU A 49 53.200 95.926 26.796 1.00 68.80 N ATOM 453 CA GLU A 49 54.580 95.760 27.258 1.00 70.02 C ATOM 454 C GLU A 49 55.343 97.053 26.957 1.00 60.14 C ATOM 455 O GLU A 49 55.286 97.566 25.857 1.00 66.03 O ATOM 456 CB GLU A 49 55.274 94.551 26.624 1.00 80.50 C ATOM 457 CG GLU A 49 55.049 93.219 27.317 1.00101.45 C ATOM 458 CD GLU A 49 55.368 92.052 26.387 1.00119.84 C ATOM 459 OE1 GLU A 49 56.461 92.019 25.743 1.00114.07 O ATOM 460 OE2 GLU A 49 54.499 91.160 26.250 1.00131.90 O ATOM 461 H GLU A 49 52.950 95.636 25.829 1.00 0.00 H ATOM 462 N THR A 50 56.009 97.605 27.961 1.00 54.74 N ATOM 463 CA THR A 50 56.915 98.715 27.757 1.00 54.50 C ATOM 464 C THR A 50 58.180 98.165 27.153 1.00 50.32 C ATOM 465 O THR A 50 58.729 97.198 27.642 1.00 51.36 O ATOM 466 CB THR A 50 57.215 99.489 29.037 1.00 53.21 C ATOM 467 OG1 THR A 50 58.208 100.484 28.740 1.00 62.83 O ATOM 468 CG2 THR A 50 57.736 98.634 30.027 1.00 54.22 C ATOM 469 HG1 THR A 50 58.415 100.997 29.561 1.00 0.00 H ATOM 470 H THR A 50 55.877 97.230 28.922 1.00 0.00 H ATOM 471 N CYS A 51 58.634 98.756 26.050 1.00 50.98 N ATOM 472 CA CYS A 51 59.882 98.324 25.456 1.00 51.81 C ATOM 473 C CYS A 51 60.718 99.411 24.864 1.00 48.69 C ATOM 474 O CYS A 51 60.218 100.446 24.481 1.00 50.08 O ATOM 475 CB CYS A 51 59.667 97.229 24.434 1.00 54.91 C ATOM 476 SG CYS A 51 58.275 97.406 23.371 1.00 57.80 S ATOM 477 H CYS A 51 58.092 99.529 25.614 1.00 0.00 H ATOM 478 N LEU A 52 62.010 99.108 24.798 1.00 44.07 N ATOM 479 CA LEU A 52 63.014 100.008 24.302 1.00 46.99 C ATOM 480 C LEU A 52 63.407 99.577 22.884 1.00 45.72 C ATOM 481 O LEU A 52 63.915 98.470 22.702 1.00 52.75 O ATOM 482 CB LEU A 52 64.210 99.944 25.245 1.00 49.48 C ATOM 483 CG LEU A 52 65.277 101.002 25.019 1.00 54.71 C ATOM 484 CD1 LEU A 52 64.748 102.405 25.227 1.00 52.33 C ATOM 485 CD2 LEU A 52 66.422 100.790 25.993 1.00 56.00 C ATOM 486 H LEU A 52 62.311 98.167 25.123 1.00 0.00 H ATOM 487 N LEU A 53 63.147 100.426 21.895 1.00 41.37 N ATOM 488 CA LEU A 53 63.525 100.158 20.500 1.00 41.41 C ATOM 489 C LEU A 53 64.886 100.755 20.194 1.00 40.24 C ATOM 490 O LEU A 53 65.069 101.965 20.300 1.00 40.35 O ATOM 491 CB LEU A 53 62.495 100.761 19.536 1.00 42.95 C ATOM 492 CG LEU A 53 61.043 100.427 19.786 1.00 40.36 C ATOM 493 CD1 LEU A 53 60.153 101.028 18.686 1.00 39.95 C ATOM 494 CD2 LEU A 53 60.842 98.926 19.920 1.00 41.44 C ATOM 495 H LEU A 53 62.656 101.316 22.117 1.00 0.00 H ATOM 496 N ASP A 54 65.834 99.896 19.845 1.00 40.80 N ATOM 497 CA ASP A 54 67.151 100.305 19.357 1.00 40.96 C ATOM 498 C ASP A 54 67.028 100.194 17.855 1.00 39.06 C ATOM 499 O ASP A 54 66.858 99.087 17.332 1.00 39.35 O ATOM 500 CB ASP A 54 68.224 99.328 19.832 1.00 50.52 C ATOM 501 CG ASP A 54 68.387 99.287 21.352 1.00 60.17 C ATOM 502 OD1 ASP A 54 68.081 100.306 22.030 1.00 66.86 O ATOM 503 OD2 ASP A 54 68.851 98.245 21.857 1.00 62.79 O ATOM 504 H ASP A 54 65.631 98.879 19.922 1.00 0.00 H ATOM 505 N ILE A 55 67.079 101.319 17.153 1.00 36.81 N ATOM 506 CA ILE A 55 66.820 101.328 15.718 1.00 39.07 C ATOM 507 C ILE A 55 68.069 101.700 14.947 1.00 41.43 C ATOM 508 O ILE A 55 68.617 102.775 15.134 1.00 41.58 O ATOM 509 CB ILE A 55 65.713 102.315 15.369 1.00 41.61 C ATOM 510 CG1 ILE A 55 64.407 101.860 16.027 1.00 40.96 C ATOM 511 CG2 ILE A 55 65.536 102.453 13.861 1.00 40.88 C ATOM 512 CD1 ILE A 55 63.414 103.014 16.170 1.00 44.38 C ATOM 513 H ILE A 55 67.308 102.211 17.636 1.00 0.00 H ATOM 514 N LEU A 56 68.506 100.814 14.071 1.00 44.76 N ATOM 515 CA LEU A 56 69.632 101.092 13.205 1.00 45.07 C ATOM 516 C LEU A 56 69.183 101.409 11.786 1.00 43.38 C ATOM 517 O LEU A 56 68.576 100.589 11.116 1.00 40.33 O ATOM 518 CB LEU A 56 70.618 99.922 13.204 1.00 46.52 C ATOM 519 CG LEU A 56 71.946 100.291 12.631 1.00 49.72 C ATOM 520 CD1 LEU A 56 72.717 101.241 13.551 1.00 62.65 C ATOM 521 CD2 LEU A 56 72.762 98.989 12.649 1.00 51.37 C ATOM 522 H LEU A 56 68.029 99.893 14.001 1.00 0.00 H ATOM 523 N ASP A 57 69.526 102.606 11.354 1.00 37.45 N ATOM 524 CA ASP A 57 69.123 103.168 10.076 1.00 40.16 C ATOM 525 C ASP A 57 70.338 103.005 9.151 1.00 41.70 C ATOM 526 O ASP A 57 71.366 103.570 9.407 1.00 44.68 O ATOM 527 CB ASP A 57 68.706 104.616 10.334 1.00 43.24 C ATOM 528 CG ASP A 57 68.426 105.415 9.050 1.00 54.27 C ATOM 529 OD1 ASP A 57 68.075 104.825 7.980 1.00 56.76 O ATOM 530 OD2 ASP A 57 68.597 106.671 9.107 1.00 63.88 O ATOM 531 H ASP A 57 70.127 103.189 11.971 1.00 0.00 H ATOM 532 N THR A 58 70.224 102.187 8.106 1.00 46.02 N ATOM 533 CA THR A 58 71.342 101.810 7.215 1.00 47.10 C ATOM 534 C THR A 58 71.469 102.700 5.975 1.00 44.65 C ATOM 535 O THR A 58 70.631 103.552 5.725 1.00 48.49 O ATOM 536 CB THR A 58 71.182 100.359 6.699 1.00 47.42 C ATOM 537 OG1 THR A 58 70.083 100.260 5.809 1.00 40.67 O ATOM 538 CG2 THR A 58 70.987 99.407 7.844 1.00 48.13 C ATOM 539 HG1 THR A 58 69.254 100.525 6.280 1.00 0.00 H ATOM 540 H THR A 58 69.286 101.787 7.903 1.00 0.00 H ATOM 541 N ALA A 59 72.537 102.470 5.210 1.00 46.47 N ATOM 542 CA ALA A 59 72.738 103.055 3.901 1.00 51.29 C ATOM 543 C ALA A 59 72.136 102.224 2.761 1.00 52.51 C ATOM 544 O ALA A 59 72.102 100.994 2.853 1.00 56.54 O ATOM 545 CB ALA A 59 74.226 103.247 3.651 1.00 45.97 C ATOM 546 H ALA A 59 73.271 101.831 5.576 1.00 0.00 H ATOM 547 N GLY A 60 71.654 102.886 1.718 1.00 57.39 N ATOM 548 CA GLY A 60 71.234 102.197 0.519 1.00 67.32 C ATOM 549 C GLY A 60 72.323 101.909 -0.402 1.00 73.44 C ATOM 550 O GLY A 60 72.600 100.749 -0.728 1.00 74.47 O ATOM 551 H GLY A 60 71.577 103.922 1.764 1.00 0.00 H ATOM 552 N HIS A 61 72.927 103.021 -0.833 1.00 86.28 N ATOM 553 CA HIS A 61 74.126 103.033 -1.672 1.00 94.88 C ATOM 554 C HIS A 61 75.328 102.489 -0.872 1.00 93.34 C ATOM 555 O HIS A 61 76.095 103.293 -0.323 1.00 94.13 O ATOM 556 CB HIS A 61 74.401 104.477 -2.171 1.00 83.97 C ATOM 557 H HIS A 61 72.519 103.936 -0.554 1.00 0.00 H ATOM 558 N GLU A 62 75.436 101.145 -0.759 1.00 78.52 N ATOM 559 CA GLU A 62 76.558 100.501 -0.043 1.00 83.74 C ATOM 560 C GLU A 62 76.998 99.151 -0.607 1.00 95.74 C ATOM 561 O GLU A 62 76.245 98.166 -0.619 1.00 95.65 O ATOM 562 CB GLU A 62 76.334 100.351 1.483 1.00 81.41 C ATOM 563 CG GLU A 62 77.655 100.125 2.248 1.00 79.05 C ATOM 564 CD GLU A 62 77.611 100.294 3.776 1.00 84.50 C ATOM 565 OE1 GLU A 62 76.537 100.526 4.386 1.00 78.39 O ATOM 566 OE2 GLU A 62 78.702 100.176 4.388 1.00 89.40 O ATOM 567 H GLU A 62 74.705 100.544 -1.191 1.00 0.00 H ATOM 568 N GLU A 63 78.264 99.135 -1.024 1.00103.95 N ATOM 569 CA GLU A 63 78.973 97.936 -1.400 1.00103.63 C ATOM 570 C GLU A 63 79.138 96.983 -0.197 1.00105.66 C ATOM 571 O GLU A 63 78.479 97.111 0.854 1.00 97.35 O ATOM 572 CB GLU A 63 80.348 98.333 -1.982 1.00 99.54 C ATOM 573 H GLU A 63 78.771 100.041 -1.082 1.00 0.00 H ATOM 574 N TYR A 64 80.002 95.995 -0.391 1.00107.70 N ATOM 575 CA TYR A 64 80.399 95.082 0.665 1.00102.88 C ATOM 576 C TYR A 64 81.270 95.791 1.716 1.00 99.05 C ATOM 577 O TYR A 64 82.179 96.549 1.386 1.00116.51 O ATOM 578 CB TYR A 64 81.149 93.882 0.067 1.00 98.00 C ATOM 579 CG TYR A 64 81.761 92.969 1.099 1.00106.90 C ATOM 580 CD1 TYR A 64 80.985 91.970 1.755 1.00102.88 C ATOM 581 CD2 TYR A 64 83.120 93.106 1.454 1.00112.57 C ATOM 582 CE1 TYR A 64 81.552 91.126 2.713 1.00 97.32 C ATOM 583 CE2 TYR A 64 83.696 92.277 2.420 1.00113.23 C ATOM 584 CZ TYR A 64 82.914 91.293 3.043 1.00102.66 C ATOM 585 OH TYR A 64 83.505 90.498 3.981 1.00 86.43 O ATOM 586 HH TYR A 64 82.840 89.855 4.333 1.00 0.00 H ATOM 587 H TYR A 64 80.412 95.870 -1.339 1.00 0.00 H ATOM 588 N SER A 65 80.946 95.537 2.978 1.00 90.95 N ATOM 589 CA SER A 65 81.789 95.819 4.134 1.00 87.72 C ATOM 590 C SER A 65 81.569 94.699 5.152 1.00 79.09 C ATOM 591 O SER A 65 80.490 94.186 5.270 1.00 78.98 O ATOM 592 CB SER A 65 81.419 97.191 4.709 1.00 94.50 C ATOM 593 OG SER A 65 82.217 97.563 5.841 1.00102.03 O ATOM 594 HG SER A 65 81.932 98.454 6.166 1.00 0.00 H ATOM 595 H SER A 65 80.018 95.103 3.156 1.00 0.00 H ATOM 596 N ALA A 66 82.611 94.287 5.844 1.00 73.67 N ATOM 597 CA ALA A 66 82.474 93.422 7.009 1.00 73.33 C ATOM 598 C ALA A 66 81.670 94.107 8.156 1.00 74.89 C ATOM 599 O ALA A 66 81.044 93.405 8.962 1.00 63.98 O ATOM 600 CB ALA A 66 83.853 92.988 7.507 1.00 73.47 C ATOM 601 H ALA A 66 83.562 94.588 5.550 1.00 0.00 H ATOM 602 N MET A 67 81.676 95.453 8.209 1.00 73.02 N ATOM 603 CA MET A 67 80.973 96.229 9.273 1.00 76.83 C ATOM 604 C MET A 67 79.439 96.146 9.129 1.00 75.41 C ATOM 605 O MET A 67 78.670 95.946 10.121 1.00 74.36 O ATOM 606 CB MET A 67 81.388 97.691 9.279 1.00 74.44 C ATOM 607 CG MET A 67 82.890 97.902 9.351 1.00 71.12 C ATOM 608 SD MET A 67 83.639 96.867 10.619 1.00 70.66 S ATOM 609 CE MET A 67 82.874 97.429 12.142 1.00 69.77 C ATOM 610 H MET A 67 82.194 95.976 7.475 1.00 0.00 H ATOM 611 N ARG A 68 78.979 96.272 7.864 1.00 64.17 N ATOM 612 CA ARG A 68 77.575 96.075 7.514 1.00 63.83 C ATOM 613 C ARG A 68 77.051 94.717 8.018 1.00 64.12 C ATOM 614 O ARG A 68 76.009 94.655 8.590 1.00 61.89 O ATOM 615 CB ARG A 68 77.378 96.209 5.986 1.00 61.72 C ATOM 616 CG ARG A 68 76.000 96.687 5.597 1.00 62.53 C ATOM 617 CD ARG A 68 75.701 96.565 4.109 1.00 68.18 C ATOM 618 NE ARG A 68 74.259 96.561 3.884 1.00 72.22 N ATOM 619 CZ ARG A 68 73.468 97.636 3.924 1.00 68.11 C ATOM 620 NH1 ARG A 68 73.959 98.852 4.162 1.00 66.92 N ATOM 621 NH2 ARG A 68 72.162 97.492 3.708 1.00 67.59 N ATOM 622 HE ARG A 68 73.811 95.646 3.675 1.00 0.00 H ATOM 623 HH12 ARG A 68 73.322 99.674 4.188 1.00 0.00 H ATOM 624 HH11 ARG A 68 74.979 98.979 4.322 1.00 0.00 H ATOM 625 HH22 ARG A 68 71.536 98.322 3.737 1.00 0.00 H ATOM 626 HH21 ARG A 68 71.768 96.550 3.511 1.00 0.00 H ATOM 627 H ARG A 68 79.652 96.519 7.110 1.00 0.00 H ATOM 628 N ASP A 69 77.800 93.651 7.841 1.00 61.03 N ATOM 629 CA ASP A 69 77.397 92.321 8.277 1.00 62.83 C ATOM 630 C ASP A 69 77.391 92.155 9.816 1.00 69.75 C ATOM 631 O ASP A 69 76.605 91.366 10.325 1.00 74.35 O ATOM 632 CB ASP A 69 78.234 91.229 7.601 1.00 68.26 C ATOM 633 CG ASP A 69 77.940 91.114 6.092 1.00 78.26 C ATOM 634 OD1 ASP A 69 77.601 92.130 5.451 1.00 75.53 O ATOM 635 OD2 ASP A 69 78.030 90.020 5.510 1.00 86.53 O ATOM 636 H ASP A 69 78.720 93.762 7.369 1.00 0.00 H ATOM 637 N GLN A 70 78.235 92.886 10.560 1.00 71.74 N ATOM 638 CA GLN A 70 78.199 92.835 12.025 1.00 74.67 C ATOM 639 C GLN A 70 76.863 93.336 12.564 1.00 70.39 C ATOM 640 O GLN A 70 76.171 92.630 13.361 1.00 75.28 O ATOM 641 CB GLN A 70 79.407 93.509 12.676 1.00 93.27 C ATOM 642 CG GLN A 70 80.355 92.467 13.365 1.00111.15 C ATOM 643 CD GLN A 70 81.771 92.958 13.634 1.00120.21 C ATOM 644 OE1 GLN A 70 82.334 93.665 12.807 1.00113.30 O ATOM 645 NE2 GLN A 70 82.348 92.571 14.786 1.00129.84 N ATOM 646 HE22 GLN A 70 81.824 91.970 15.454 1.00 0.00 H ATOM 647 HE21 GLN A 70 83.318 92.873 15.009 1.00 0.00 H ATOM 648 H GLN A 70 78.928 93.501 10.088 1.00 0.00 H ATOM 649 N TYR A 71 76.457 94.502 12.135 1.00 61.76 N ATOM 650 CA TYR A 71 75.153 95.058 12.632 1.00 63.36 C ATOM 651 C TYR A 71 73.899 94.312 12.142 1.00 57.64 C ATOM 652 O TYR A 71 72.896 94.257 12.829 1.00 79.85 O ATOM 653 CB TYR A 71 75.037 96.570 12.435 1.00 57.97 C ATOM 654 CG TYR A 71 74.902 97.089 11.022 1.00 59.85 C ATOM 655 CD1 TYR A 71 73.739 96.781 10.242 1.00 64.44 C ATOM 656 CD2 TYR A 71 75.826 98.018 10.489 1.00 54.68 C ATOM 657 CE1 TYR A 71 73.574 97.320 8.974 1.00 61.76 C ATOM 658 CE2 TYR A 71 75.627 98.563 9.229 1.00 52.34 C ATOM 659 CZ TYR A 71 74.498 98.233 8.489 1.00 51.77 C ATOM 660 OH TYR A 71 74.395 98.811 7.251 1.00 55.50 O ATOM 661 HH TYR A 71 74.380 99.796 7.348 1.00 0.00 H ATOM 662 H TYR A 71 77.032 95.040 11.456 1.00 0.00 H ATOM 663 N MET A 72 73.948 93.743 10.968 1.00 57.16 N ATOM 664 CA MET A 72 72.867 92.868 10.532 1.00 62.76 C ATOM 665 C MET A 72 72.840 91.559 11.316 1.00 64.44 C ATOM 666 O MET A 72 71.806 90.979 11.501 1.00 72.86 O ATOM 667 CB MET A 72 72.940 92.583 9.014 1.00 65.21 C ATOM 668 CG MET A 72 72.876 93.860 8.148 1.00 61.67 C ATOM 669 SD MET A 72 71.721 94.513 6.996 1.00 64.54 S ATOM 670 CE MET A 72 71.669 92.957 6.153 1.00 68.91 C ATOM 671 H MET A 72 74.761 93.915 10.342 1.00 0.00 H ATOM 672 N ARG A 73 73.963 91.084 11.805 1.00 64.65 N ATOM 673 CA ARG A 73 73.957 89.859 12.628 1.00 70.62 C ATOM 674 C ARG A 73 73.334 90.142 14.007 1.00 64.77 C ATOM 675 O ARG A 73 72.572 89.367 14.480 1.00 67.25 O ATOM 676 CB ARG A 73 75.357 89.187 12.710 1.00 75.05 C ATOM 677 CG ARG A 73 75.277 87.679 12.876 1.00 88.37 C ATOM 678 CD ARG A 73 76.591 86.933 12.666 1.00 98.66 C ATOM 679 NE ARG A 73 77.140 87.139 11.305 1.00113.62 N ATOM 680 CZ ARG A 73 78.049 88.059 10.947 1.00106.12 C ATOM 681 NH1 ARG A 73 78.575 88.897 11.842 1.00104.04 N ATOM 682 NH2 ARG A 73 78.427 88.143 9.667 1.00 90.16 N ATOM 683 HE ARG A 73 76.787 86.510 10.555 1.00 0.00 H ATOM 684 HH12 ARG A 73 79.278 89.603 11.543 1.00 0.00 H ATOM 685 HH11 ARG A 73 78.282 88.845 12.838 1.00 0.00 H ATOM 686 HH22 ARG A 73 79.131 88.852 9.378 1.00 0.00 H ATOM 687 HH21 ARG A 73 78.017 87.499 8.960 1.00 0.00 H ATOM 688 H ARG A 73 74.860 91.573 11.611 1.00 0.00 H ATOM 689 N THR A 74 73.672 91.256 14.646 1.00 60.07 N ATOM 690 CA THR A 74 73.084 91.583 15.966 1.00 68.24 C ATOM 691 C THR A 74 71.576 92.017 15.923 1.00 59.42 C ATOM 692 O THR A 74 70.875 91.889 16.904 1.00 62.04 O ATOM 693 CB THR A 74 73.899 92.597 16.784 1.00 78.98 C ATOM 694 OG1 THR A 74 73.810 93.865 16.211 1.00 80.71 O ATOM 695 CG2 THR A 74 75.371 92.233 16.888 1.00 89.27 C ATOM 696 HG1 THR A 74 72.863 94.152 16.192 1.00 0.00 H ATOM 697 H THR A 74 74.358 91.907 14.214 1.00 0.00 H ATOM 698 N GLY A 75 71.112 92.548 14.811 1.00 45.67 N ATOM 699 CA GLY A 75 69.722 92.938 14.623 1.00 46.03 C ATOM 700 C GLY A 75 68.677 91.819 14.714 1.00 45.54 C ATOM 701 O GLY A 75 68.838 90.843 14.082 1.00 46.29 O ATOM 702 H GLY A 75 71.775 92.697 14.024 1.00 0.00 H ATOM 703 N GLU A 76 67.639 91.968 15.502 1.00 42.00 N ATOM 704 CA GLU A 76 66.630 90.938 15.749 1.00 43.74 C ATOM 705 C GLU A 76 65.504 90.964 14.720 1.00 41.05 C ATOM 706 O GLU A 76 64.840 89.938 14.476 1.00 43.56 O ATOM 707 CB GLU A 76 66.003 91.085 17.158 1.00 49.49 C ATOM 708 CG GLU A 76 66.992 91.013 18.323 1.00 56.74 C ATOM 709 CD GLU A 76 66.364 91.319 19.684 1.00 63.54 C ATOM 710 OE1 GLU A 76 66.679 92.413 20.205 1.00 69.23 O ATOM 711 OE2 GLU A 76 65.566 90.517 20.258 1.00 64.86 O ATOM 712 H GLU A 76 67.525 92.882 15.985 1.00 0.00 H ATOM 713 N GLY A 77 65.259 92.127 14.115 1.00 38.96 N ATOM 714 CA GLY A 77 64.190 92.282 13.099 1.00 39.81 C ATOM 715 C GLY A 77 64.456 93.382 12.091 1.00 37.36 C ATOM 716 O GLY A 77 65.221 94.304 12.357 1.00 45.08 O ATOM 717 H GLY A 77 65.838 92.954 14.364 1.00 0.00 H ATOM 718 N PHE A 78 63.841 93.280 10.916 1.00 35.45 N ATOM 719 CA PHE A 78 64.211 94.139 9.787 1.00 36.55 C ATOM 720 C PHE A 78 63.007 94.738 9.103 1.00 39.22 C ATOM 721 O PHE A 78 62.085 94.008 8.759 1.00 39.40 O ATOM 722 CB PHE A 78 65.019 93.344 8.779 1.00 38.48 C ATOM 723 CG PHE A 78 66.272 92.803 9.339 1.00 41.32 C ATOM 724 CD1 PHE A 78 66.263 91.652 10.127 1.00 42.83 C ATOM 725 CD2 PHE A 78 67.461 93.469 9.165 1.00 42.10 C ATOM 726 CE1 PHE A 78 67.420 91.185 10.716 1.00 38.46 C ATOM 727 CE2 PHE A 78 68.630 92.982 9.730 1.00 40.69 C ATOM 728 CZ PHE A 78 68.575 91.845 10.495 1.00 38.69 C ATOM 729 H PHE A 78 63.083 92.578 10.796 1.00 0.00 H ATOM 730 N LEU A 79 63.018 96.063 8.938 1.00 39.72 N ATOM 731 CA LEU A 79 62.106 96.725 8.026 1.00 39.81 C ATOM 732 C LEU A 79 62.743 96.760 6.667 1.00 40.83 C ATOM 733 O LEU A 79 63.767 97.396 6.500 1.00 47.22 O ATOM 734 CB LEU A 79 61.815 98.165 8.459 1.00 41.45 C ATOM 735 CG LEU A 79 60.983 98.460 9.682 1.00 43.81 C ATOM 736 CD1 LEU A 79 60.581 99.936 9.617 1.00 46.59 C ATOM 737 CD2 LEU A 79 59.770 97.539 9.700 1.00 46.67 C ATOM 738 H LEU A 79 63.699 96.635 9.478 1.00 0.00 H ATOM 739 N CYS A 80 62.160 96.063 5.702 1.00 42.37 N ATOM 740 CA CYS A 80 62.613 96.078 4.316 1.00 41.32 C ATOM 741 C CYS A 80 61.765 97.096 3.590 1.00 37.80 C ATOM 742 O CYS A 80 60.585 96.877 3.377 1.00 38.88 O ATOM 743 CB CYS A 80 62.503 94.673 3.711 1.00 45.87 C ATOM 744 SG CYS A 80 63.447 93.379 4.630 1.00 47.18 S ATOM 745 H CYS A 80 61.337 95.475 5.946 1.00 0.00 H ATOM 746 N VAL A 81 62.359 98.226 3.238 1.00 36.35 N ATOM 747 CA VAL A 81 61.625 99.381 2.722 1.00 32.24 C ATOM 748 C VAL A 81 61.881 99.562 1.224 1.00 36.02 C ATOM 749 O VAL A 81 63.009 99.507 0.762 1.00 38.13 O ATOM 750 CB VAL A 81 62.022 100.684 3.427 1.00 31.31 C ATOM 751 CG1 VAL A 81 61.144 101.838 2.975 1.00 31.79 C ATOM 752 CG2 VAL A 81 61.935 100.539 4.940 1.00 32.64 C ATOM 753 H VAL A 81 63.392 98.295 3.333 1.00 0.00 H ATOM 754 N PHE A 82 60.809 99.800 0.478 1.00 38.59 N ATOM 755 CA PHE A 82 60.885 100.291 -0.894 1.00 36.81 C ATOM 756 C PHE A 82 59.939 101.476 -1.034 1.00 39.08 C ATOM 757 O PHE A 82 59.118 101.748 -0.149 1.00 39.52 O ATOM 758 CB PHE A 82 60.502 99.191 -1.887 1.00 36.66 C ATOM 759 CG PHE A 82 59.047 98.805 -1.845 1.00 35.31 C ATOM 760 CD1 PHE A 82 58.574 97.872 -0.938 1.00 39.83 C ATOM 761 CD2 PHE A 82 58.152 99.353 -2.750 1.00 36.41 C ATOM 762 CE1 PHE A 82 57.227 97.500 -0.917 1.00 41.46 C ATOM 763 CE2 PHE A 82 56.801 99.004 -2.743 1.00 37.25 C ATOM 764 CZ PHE A 82 56.340 98.074 -1.809 1.00 39.45 C ATOM 765 H PHE A 82 59.870 99.628 0.891 1.00 0.00 H ATOM 766 N ALA A 83 60.036 102.168 -2.163 1.00 39.18 N ATOM 767 CA ALA A 83 59.197 103.324 -2.425 1.00 45.05 C ATOM 768 C ALA A 83 58.208 102.940 -3.517 1.00 41.83 C ATOM 769 O ALA A 83 58.615 102.431 -4.546 1.00 38.56 O ATOM 770 CB ALA A 83 60.068 104.500 -2.845 1.00 48.20 C ATOM 771 H ALA A 83 60.731 101.874 -2.879 1.00 0.00 H ATOM 772 N ILE A 84 56.928 103.217 -3.298 1.00 44.59 N ATOM 773 CA ILE A 84 55.879 102.819 -4.244 1.00 48.69 C ATOM 774 C ILE A 84 55.974 103.525 -5.603 1.00 47.32 C ATOM 775 O ILE A 84 55.335 103.095 -6.549 1.00 44.86 O ATOM 776 CB ILE A 84 54.449 103.026 -3.672 1.00 50.10 C ATOM 777 CG1 ILE A 84 54.180 104.505 -3.375 1.00 54.28 C ATOM 778 CG2 ILE A 84 54.245 102.187 -2.424 1.00 46.83 C ATOM 779 CD1 ILE A 84 52.841 104.983 -3.882 1.00 57.15 C ATOM 780 H ILE A 84 56.662 103.730 -2.433 1.00 0.00 H ATOM 781 N ASN A 85 56.767 104.599 -5.690 1.00 52.72 N ATOM 782 CA ASN A 85 57.054 105.282 -6.955 1.00 51.84 C ATOM 783 C ASN A 85 58.390 104.895 -7.603 1.00 52.12 C ATOM 784 O ASN A 85 58.931 105.654 -8.407 1.00 53.25 O ATOM 785 CB ASN A 85 57.004 106.803 -6.703 1.00 49.04 C ATOM 786 CG ASN A 85 58.180 107.348 -5.951 1.00 49.88 C ATOM 787 OD1 ASN A 85 58.806 106.640 -5.192 1.00 59.39 O ATOM 788 ND2 ASN A 85 58.474 108.634 -6.136 1.00 46.22 N ATOM 789 HD22 ASN A 85 57.911 109.206 -6.797 1.00 0.00 H ATOM 790 HD21 ASN A 85 59.267 109.066 -5.619 1.00 0.00 H ATOM 791 H ASN A 85 57.200 104.967 -4.819 1.00 0.00 H ATOM 792 N ASN A 86 58.937 103.734 -7.239 1.00 50.49 N ATOM 793 CA ASN A 86 60.241 103.318 -7.731 1.00 51.05 C ATOM 794 C ASN A 86 60.309 101.810 -7.809 1.00 49.30 C ATOM 795 O ASN A 86 60.624 101.155 -6.844 1.00 51.34 O ATOM 796 CB ASN A 86 61.341 103.891 -6.826 1.00 56.56 C ATOM 797 CG ASN A 86 62.740 103.526 -7.276 1.00 57.41 C ATOM 798 OD1 ASN A 86 62.967 102.517 -7.907 1.00 57.16 O ATOM 799 ND2 ASN A 86 63.674 104.432 -7.031 1.00 68.67 N ATOM 800 HD22 ASN A 86 63.440 105.286 -6.485 1.00 0.00 H ATOM 801 HD21 ASN A 86 64.642 104.290 -7.384 1.00 0.00 H ATOM 802 H ASN A 86 58.418 103.111 -6.587 1.00 0.00 H ATOM 803 N THR A 87 60.033 101.273 -8.998 1.00 52.96 N ATOM 804 CA THR A 87 59.931 99.828 -9.203 1.00 51.07 C ATOM 805 C THR A 87 61.268 99.130 -8.951 1.00 47.63 C ATOM 806 O THR A 87 61.274 97.994 -8.480 1.00 43.62 O ATOM 807 CB THR A 87 59.400 99.550 -10.638 1.00 50.37 C ATOM 808 OG1 THR A 87 58.063 100.084 -10.739 1.00 52.21 O ATOM 809 CG2 THR A 87 59.361 98.045 -10.970 1.00 50.31 C ATOM 810 HG1 THR A 87 58.084 101.059 -10.568 1.00 0.00 H ATOM 811 H THR A 87 59.885 101.905 -9.810 1.00 0.00 H ATOM 812 N LYS A 88 62.388 99.797 -9.220 1.00 50.35 N ATOM 813 CA LYS A 88 63.692 99.175 -8.978 1.00 54.91 C ATOM 814 C LYS A 88 63.898 98.899 -7.489 1.00 45.72 C ATOM 815 O LYS A 88 64.356 97.822 -7.121 1.00 46.28 O ATOM 816 CB LYS A 88 64.828 100.041 -9.563 1.00 64.17 C ATOM 817 CG LYS A 88 66.195 99.367 -9.511 1.00 76.46 C ATOM 818 CD LYS A 88 67.061 99.539 -10.798 1.00 93.76 C ATOM 819 CE LYS A 88 68.548 99.674 -10.470 1.00102.80 C ATOM 820 NZ LYS A 88 69.032 98.797 -9.346 1.00103.52 N ATOM 821 HZ1 LYS A 88 68.511 99.031 -8.477 1.00 0.00 H ATOM 822 HZ2 LYS A 88 68.869 97.800 -9.591 1.00 0.00 H ATOM 823 HZ3 LYS A 88 70.049 98.957 -9.196 1.00 0.00 H ATOM 824 H LYS A 88 62.337 100.763 -9.603 1.00 0.00 H ATOM 825 N SER A 89 63.533 99.845 -6.638 1.00 37.88 N ATOM 826 CA SER A 89 63.613 99.651 -5.178 1.00 41.27 C ATOM 827 C SER A 89 62.770 98.457 -4.717 1.00 40.87 C ATOM 828 O SER A 89 63.146 97.771 -3.771 1.00 40.80 O ATOM 829 CB SER A 89 63.227 100.921 -4.407 1.00 39.02 C ATOM 830 OG SER A 89 61.838 101.172 -4.448 1.00 38.03 O ATOM 831 HG SER A 89 61.552 101.285 -5.389 1.00 0.00 H ATOM 832 H SER A 89 63.180 100.750 -7.009 1.00 0.00 H ATOM 833 N PHE A 90 61.643 98.217 -5.388 1.00 36.12 N ATOM 834 CA PHE A 90 60.796 97.070 -5.077 1.00 41.30 C ATOM 835 C PHE A 90 61.426 95.765 -5.510 1.00 44.21 C ATOM 836 O PHE A 90 61.319 94.761 -4.824 1.00 45.52 O ATOM 837 CB PHE A 90 59.448 97.202 -5.742 1.00 44.04 C ATOM 838 CG PHE A 90 58.516 96.057 -5.480 1.00 43.26 C ATOM 839 CD1 PHE A 90 58.000 95.834 -4.214 1.00 43.29 C ATOM 840 CD2 PHE A 90 58.119 95.228 -6.513 1.00 43.61 C ATOM 841 CE1 PHE A 90 57.080 94.796 -3.984 1.00 42.69 C ATOM 842 CE2 PHE A 90 57.222 94.191 -6.291 1.00 45.89 C ATOM 843 CZ PHE A 90 56.683 93.996 -5.023 1.00 43.67 C ATOM 844 H PHE A 90 61.361 98.863 -6.152 1.00 0.00 H ATOM 845 N GLU A 91 62.083 95.779 -6.660 1.00 52.70 N ATOM 846 CA GLU A 91 62.791 94.596 -7.161 1.00 54.12 C ATOM 847 C GLU A 91 64.006 94.280 -6.321 1.00 50.68 C ATOM 848 O GLU A 91 64.328 93.120 -6.139 1.00 52.73 O ATOM 849 CB GLU A 91 63.161 94.761 -8.636 1.00 58.26 C ATOM 850 CG GLU A 91 61.967 94.735 -9.570 1.00 63.96 C ATOM 851 CD GLU A 91 62.280 95.289 -10.977 1.00 70.61 C ATOM 852 OE1 GLU A 91 63.434 95.769 -11.246 1.00 58.18 O ATOM 853 OE2 GLU A 91 61.322 95.290 -11.816 1.00 76.86 O ATOM 854 H GLU A 91 62.097 96.653 -7.223 1.00 0.00 H ATOM 855 N ASP A 92 64.661 95.310 -5.788 1.00 50.90 N ATOM 856 CA ASP A 92 65.816 95.132 -4.878 1.00 54.07 C ATOM 857 C ASP A 92 65.452 94.480 -3.541 1.00 50.57 C ATOM 858 O ASP A 92 66.336 94.002 -2.864 1.00 48.85 O ATOM 859 CB ASP A 92 66.549 96.464 -4.591 1.00 53.37 C ATOM 860 CG ASP A 92 67.238 97.056 -5.850 1.00 65.39 C ATOM 861 OD1 ASP A 92 67.422 96.339 -6.883 1.00 68.27 O ATOM 862 OD2 ASP A 92 67.588 98.261 -5.825 1.00 60.27 O ATOM 863 H ASP A 92 64.350 96.275 -6.019 1.00 0.00 H ATOM 864 N ILE A 93 64.179 94.477 -3.145 1.00 44.68 N ATOM 865 CA ILE A 93 63.766 93.931 -1.842 1.00 41.88 C ATOM 866 C ILE A 93 64.275 92.521 -1.678 1.00 40.01 C ATOM 867 O ILE A 93 64.823 92.169 -0.653 1.00 45.70 O ATOM 868 CB ILE A 93 62.218 93.980 -1.663 1.00 42.37 C ATOM 869 CG1 ILE A 93 61.748 95.396 -1.348 1.00 44.02 C ATOM 870 CG2 ILE A 93 61.726 93.044 -0.578 1.00 40.41 C ATOM 871 CD1 ILE A 93 62.219 95.971 0.001 1.00 45.30 C ATOM 872 H ILE A 93 63.454 94.873 -3.777 1.00 0.00 H ATOM 873 N HIS A 94 64.106 91.717 -2.691 1.00 44.97 N ATOM 874 CA HIS A 94 64.505 90.312 -2.654 1.00 51.03 C ATOM 875 C HIS A 94 66.025 90.179 -2.358 1.00 49.88 C ATOM 876 O HIS A 94 66.433 89.261 -1.667 1.00 57.72 O ATOM 877 CB HIS A 94 64.000 89.569 -3.914 1.00 51.95 C ATOM 878 CG HIS A 94 64.934 88.538 -4.439 1.00 56.92 C ATOM 879 ND1 HIS A 94 64.844 87.210 -4.061 1.00 62.69 N ATOM 880 CD2 HIS A 94 66.022 88.635 -5.236 1.00 55.46 C ATOM 881 CE1 HIS A 94 65.855 86.546 -4.581 1.00 60.81 C ATOM 882 NE2 HIS A 94 66.596 87.385 -5.283 1.00 58.45 N ATOM 883 H HIS A 94 63.670 92.090 -3.558 1.00 0.00 H ATOM 884 N HIS A 95 66.835 91.089 -2.856 1.00 48.48 N ATOM 885 CA HIS A 95 68.284 91.110 -2.552 1.00 56.01 C ATOM 886 C HIS A 95 68.550 91.372 -1.076 1.00 54.96 C ATOM 887 O HIS A 95 69.389 90.741 -0.465 1.00 48.38 O ATOM 888 CB HIS A 95 69.044 92.079 -3.507 1.00 67.06 C ATOM 889 CG HIS A 95 69.000 91.661 -4.952 1.00 91.32 C ATOM 890 ND1 HIS A 95 69.676 90.551 -5.428 1.00 95.73 N ATOM 891 CD2 HIS A 95 68.368 92.205 -6.027 1.00 98.19 C ATOM 892 CE1 HIS A 95 69.429 90.410 -6.717 1.00 91.96 C ATOM 893 NE2 HIS A 95 68.640 91.398 -7.103 1.00 96.99 N ATOM 894 H HIS A 95 66.444 91.819 -3.485 1.00 0.00 H ATOM 895 N TYR A 96 67.806 92.286 -0.483 1.00 56.08 N ATOM 896 CA TYR A 96 67.922 92.564 0.966 1.00 51.45 C ATOM 897 C TYR A 96 67.498 91.368 1.789 1.00 46.45 C ATOM 898 O TYR A 96 68.154 91.026 2.732 1.00 47.73 O ATOM 899 CB TYR A 96 67.164 93.832 1.346 1.00 51.46 C ATOM 900 CG TYR A 96 67.827 95.077 0.815 1.00 53.22 C ATOM 901 CD1 TYR A 96 68.988 95.608 1.397 1.00 52.07 C ATOM 902 CD2 TYR A 96 67.328 95.708 -0.311 1.00 54.83 C ATOM 903 CE1 TYR A 96 69.574 96.755 0.892 1.00 49.57 C ATOM 904 CE2 TYR A 96 67.948 96.839 -0.833 1.00 54.62 C ATOM 905 CZ TYR A 96 69.059 97.359 -0.218 1.00 50.14 C ATOM 906 OH TYR A 96 69.639 98.508 -0.708 1.00 52.55 O ATOM 907 HH TYR A 96 68.980 99.246 -0.681 1.00 0.00 H ATOM 908 H TYR A 96 67.120 92.825 -1.049 1.00 0.00 H ATOM 909 N ARG A 97 66.426 90.708 1.429 1.00 42.58 N ATOM 910 CA ARG A 97 65.991 89.524 2.181 1.00 49.97 C ATOM 911 C ARG A 97 67.074 88.430 2.127 1.00 51.07 C ATOM 912 O ARG A 97 67.330 87.794 3.132 1.00 54.90 O ATOM 913 CB ARG A 97 64.658 88.995 1.677 1.00 51.06 C ATOM 914 CG ARG A 97 64.166 87.800 2.465 1.00 54.28 C ATOM 915 CD ARG A 97 62.809 87.361 1.912 1.00 58.06 C ATOM 916 NE ARG A 97 62.391 86.055 2.408 1.00 65.22 N ATOM 917 CZ ARG A 97 61.880 85.827 3.629 1.00 76.78 C ATOM 918 NH1 ARG A 97 61.709 86.790 4.547 1.00 66.57 N ATOM 919 NH2 ARG A 97 61.514 84.587 3.960 1.00 85.53 N ATOM 920 HE ARG A 97 62.496 85.241 1.770 1.00 0.00 H ATOM 921 HH12 ARG A 97 61.308 86.556 5.478 1.00 0.00 H ATOM 922 HH11 ARG A 97 61.977 87.771 4.328 1.00 0.00 H ATOM 923 HH22 ARG A 97 61.117 84.396 4.902 1.00 0.00 H ATOM 924 HH21 ARG A 97 61.626 83.812 3.276 1.00 0.00 H ATOM 925 H ARG A 97 65.878 91.025 0.604 1.00 0.00 H ATOM 926 N GLU A 98 67.696 88.236 0.974 1.00 53.79 N ATOM 927 CA GLU A 98 68.783 87.248 0.814 1.00 59.85 C ATOM 928 C GLU A 98 70.016 87.604 1.661 1.00 58.46 C ATOM 929 O GLU A 98 70.570 86.743 2.331 1.00 57.29 O ATOM 930 CB GLU A 98 69.216 87.090 -0.673 1.00 54.42 C ATOM 931 CG GLU A 98 68.216 86.457 -1.606 1.00 53.84 C ATOM 932 CD GLU A 98 67.793 85.055 -1.162 1.00 59.95 C ATOM 933 OE1 GLU A 98 68.679 84.187 -1.018 1.00 60.88 O ATOM 934 OE2 GLU A 98 66.562 84.811 -0.933 1.00 64.49 O ATOM 935 H GLU A 98 67.408 88.801 0.149 1.00 0.00 H ATOM 936 N GLN A 99 70.419 88.877 1.630 1.00 57.04 N ATOM 937 CA GLN A 99 71.546 89.392 2.415 1.00 59.95 C ATOM 938 C GLN A 99 71.317 89.089 3.904 1.00 64.00 C ATOM 939 O GLN A 99 72.204 88.608 4.604 1.00 69.44 O ATOM 940 CB GLN A 99 71.706 90.905 2.180 1.00 64.23 C ATOM 941 CG GLN A 99 73.075 91.514 2.319 1.00 78.86 C ATOM 942 CD GLN A 99 73.029 93.069 2.426 1.00 80.60 C ATOM 943 OE1 GLN A 99 72.145 93.632 3.088 1.00 79.53 O ATOM 944 NE2 GLN A 99 74.011 93.754 1.855 1.00 78.96 N ATOM 945 HE22 GLN A 99 74.740 93.257 1.305 1.00 0.00 H ATOM 946 HE21 GLN A 99 74.052 94.788 1.958 1.00 0.00 H ATOM 947 H GLN A 99 69.905 89.540 1.015 1.00 0.00 H ATOM 948 N ILE A 100 70.099 89.345 4.362 1.00 63.03 N ATOM 949 CA ILE A 100 69.691 89.104 5.749 1.00 55.62 C ATOM 950 C ILE A 100 69.726 87.607 6.074 1.00 58.91 C ATOM 951 O ILE A 100 70.432 87.207 6.983 1.00 62.52 O ATOM 952 CB ILE A 100 68.294 89.700 6.028 1.00 49.75 C ATOM 953 CG1 ILE A 100 68.359 91.208 5.968 1.00 49.13 C ATOM 954 CG2 ILE A 100 67.764 89.250 7.378 1.00 51.13 C ATOM 955 CD1 ILE A 100 67.089 91.948 5.792 1.00 47.35 C ATOM 956 H ILE A 100 69.397 89.737 3.703 1.00 0.00 H ATOM 957 N LYS A 101 68.975 86.794 5.333 1.00 66.15 N ATOM 958 CA LYS A 101 68.949 85.344 5.553 1.00 72.26 C ATOM 959 C LYS A 101 70.373 84.724 5.587 1.00 77.61 C ATOM 960 O LYS A 101 70.625 83.784 6.360 1.00 69.52 O ATOM 961 CB LYS A 101 68.072 84.628 4.525 1.00 75.83 C ATOM 962 CG LYS A 101 66.555 84.731 4.822 1.00 81.85 C ATOM 963 CD LYS A 101 65.613 84.455 3.650 1.00 82.74 C ATOM 964 CE LYS A 101 65.771 83.044 3.070 1.00 80.17 C ATOM 965 NZ LYS A 101 65.932 83.049 1.569 1.00 80.26 N ATOM 966 HZ1 LYS A 101 65.093 83.482 1.133 1.00 0.00 H ATOM 967 HZ2 LYS A 101 66.779 83.597 1.314 1.00 0.00 H ATOM 968 HZ3 LYS A 101 66.035 82.071 1.229 1.00 0.00 H ATOM 969 H LYS A 101 68.389 87.200 4.575 1.00 0.00 H ATOM 970 N ARG A 102 71.285 85.279 4.777 1.00 70.07 N ATOM 971 CA ARG A 102 72.666 84.826 4.724 1.00 74.00 C ATOM 972 C ARG A 102 73.422 85.135 6.034 1.00 75.11 C ATOM 973 O ARG A 102 73.979 84.215 6.655 1.00 72.96 O ATOM 974 CB ARG A 102 73.407 85.461 3.533 1.00 82.71 C ATOM 975 CG ARG A 102 74.664 84.691 3.115 1.00 91.22 C ATOM 976 CD ARG A 102 75.628 85.450 2.195 1.00 99.25 C ATOM 977 NE ARG A 102 75.670 86.922 2.311 1.00106.11 N ATOM 978 CZ ARG A 102 76.348 87.639 3.219 1.00115.15 C ATOM 979 NH1 ARG A 102 77.062 87.047 4.190 1.00113.56 N ATOM 980 NH2 ARG A 102 76.291 88.977 3.161 1.00108.30 N ATOM 981 HE ARG A 102 75.115 87.459 1.615 1.00 0.00 H ATOM 982 HH12 ARG A 102 77.579 87.626 4.882 1.00 0.00 H ATOM 983 HH11 ARG A 102 77.098 86.009 4.250 1.00 0.00 H ATOM 984 HH22 ARG A 102 76.810 89.550 3.856 1.00 0.00 H ATOM 985 HH21 ARG A 102 75.728 89.442 2.421 1.00 0.00 H ATOM 986 H ARG A 102 70.994 86.065 4.162 1.00 0.00 H ATOM 987 N VAL A 103 73.402 86.396 6.465 1.00 62.79 N ATOM 988 CA VAL A 103 74.124 86.801 7.667 1.00 62.20 C ATOM 989 C VAL A 103 73.532 86.211 8.958 1.00 62.24 C ATOM 990 O VAL A 103 74.265 85.811 9.848 1.00 69.17 O ATOM 991 CB VAL A 103 74.209 88.349 7.826 1.00 65.52 C ATOM 992 CG1 VAL A 103 74.959 89.040 6.685 1.00 68.40 C ATOM 993 CG2 VAL A 103 72.846 88.956 7.987 1.00 70.48 C ATOM 994 H VAL A 103 72.860 87.107 5.933 1.00 0.00 H ATOM 995 N LYS A 104 72.212 86.150 9.069 1.00 63.43 N ATOM 996 CA LYS A 104 71.566 85.530 10.235 1.00 61.16 C ATOM 997 C LYS A 104 71.676 84.030 10.164 1.00 62.42 C ATOM 998 O LYS A 104 71.521 83.339 11.184 1.00 58.51 O ATOM 999 CB LYS A 104 70.070 85.899 10.321 1.00 58.24 C ATOM 1000 CG LYS A 104 69.744 87.402 10.394 1.00 53.16 C ATOM 1001 CD LYS A 104 70.103 88.026 11.682 1.00 48.83 C ATOM 1002 CE LYS A 104 69.272 87.541 12.866 1.00 48.93 C ATOM 1003 NZ LYS A 104 69.730 88.190 14.107 1.00 49.35 N ATOM 1004 HZ1 LYS A 104 70.729 87.954 14.272 1.00 0.00 H ATOM 1005 HZ2 LYS A 104 69.626 89.221 14.016 1.00 0.00 H ATOM 1006 HZ3 LYS A 104 69.156 87.852 14.906 1.00 0.00 H ATOM 1007 H LYS A 104 71.620 86.550 8.313 1.00 0.00 H ATOM 1008 N ASP A 105 71.890 83.510 8.957 1.00 68.19 N ATOM 1009 CA ASP A 105 71.914 82.073 8.733 1.00 84.90 C ATOM 1010 C ASP A 105 70.603 81.464 9.242 1.00 80.22 C ATOM 1011 O ASP A 105 70.571 80.685 10.189 1.00 75.33 O ATOM 1012 CB ASP A 105 73.162 81.454 9.383 1.00 97.24 C ATOM 1013 CG ASP A 105 73.457 80.067 8.890 1.00105.10 C ATOM 1014 OD1 ASP A 105 73.778 79.934 7.699 1.00114.49 O ATOM 1015 OD2 ASP A 105 73.384 79.115 9.687 1.00103.20 O ATOM 1016 H ASP A 105 72.044 84.150 8.152 1.00 0.00 H ATOM 1017 N SER A 106 69.506 81.885 8.620 1.00 80.58 N ATOM 1018 CA SER A 106 68.175 81.411 8.985 1.00 85.37 C ATOM 1019 C SER A 106 67.183 81.664 7.857 1.00 85.29 C ATOM 1020 O SER A 106 67.367 82.568 7.052 1.00 85.31 O ATOM 1021 CB SER A 106 67.697 82.127 10.250 1.00 86.85 C ATOM 1022 OG SER A 106 66.350 81.844 10.582 1.00 87.25 O ATOM 1023 HG SER A 106 66.104 82.335 11.406 1.00 0.00 H ATOM 1024 H SER A 106 69.600 82.575 7.848 1.00 0.00 H ATOM 1025 N GLU A 107 66.148 80.832 7.788 1.00 86.69 N ATOM 1026 CA GLU A 107 65.030 81.047 6.873 1.00 98.11 C ATOM 1027 C GLU A 107 63.973 81.973 7.486 1.00 87.11 C ATOM 1028 O GLU A 107 63.157 82.555 6.766 1.00 85.55 O ATOM 1029 CB GLU A 107 64.386 79.702 6.469 1.00109.14 C ATOM 1030 CG GLU A 107 65.310 78.725 5.742 1.00112.32 C ATOM 1031 CD GLU A 107 65.797 79.250 4.384 1.00118.83 C ATOM 1032 OE1 GLU A 107 64.941 79.600 3.545 1.00118.74 O ATOM 1033 OE2 GLU A 107 67.028 79.294 4.158 1.00107.30 O ATOM 1034 H GLU A 107 66.134 79.997 8.408 1.00 0.00 H ATOM 1035 N ASP A 108 64.005 82.104 8.814 1.00 75.84 N ATOM 1036 CA ASP A 108 62.846 82.552 9.609 1.00 73.76 C ATOM 1037 C ASP A 108 63.159 83.818 10.440 1.00 63.98 C ATOM 1038 O ASP A 108 62.967 83.868 11.650 1.00 74.53 O ATOM 1039 CB ASP A 108 62.447 81.366 10.508 1.00 82.84 C ATOM 1040 CG ASP A 108 61.188 81.576 11.300 1.00 90.30 C ATOM 1041 OD1 ASP A 108 60.203 82.054 10.702 1.00 87.74 O ATOM 1042 OD2 ASP A 108 61.205 81.219 12.514 1.00 88.58 O ATOM 1043 H ASP A 108 64.890 81.879 9.312 1.00 0.00 H ATOM 1044 N VAL A 109 63.675 84.838 9.778 1.00 58.82 N ATOM 1045 CA VAL A 109 64.040 86.099 10.421 1.00 54.09 C ATOM 1046 C VAL A 109 62.827 87.015 10.463 1.00 49.74 C ATOM 1047 O VAL A 109 62.181 87.196 9.443 1.00 59.85 O ATOM 1048 CB VAL A 109 65.168 86.809 9.652 1.00 56.58 C ATOM 1049 CG1 VAL A 109 65.533 88.107 10.319 1.00 52.35 C ATOM 1050 CG2 VAL A 109 66.396 85.918 9.608 1.00 60.60 C ATOM 1051 H VAL A 109 63.828 84.740 8.754 1.00 0.00 H ATOM 1052 N PRO A 110 62.529 87.626 11.606 1.00 47.60 N ATOM 1053 CA PRO A 110 61.453 88.632 11.646 1.00 46.47 C ATOM 1054 C PRO A 110 61.665 89.819 10.712 1.00 43.28 C ATOM 1055 O PRO A 110 62.708 90.478 10.752 1.00 38.57 O ATOM 1056 CB PRO A 110 61.457 89.103 13.111 1.00 49.25 C ATOM 1057 CG PRO A 110 62.065 87.973 13.865 1.00 50.37 C ATOM 1058 CD PRO A 110 63.110 87.406 12.947 1.00 50.44 C ATOM 1059 N MET A 111 60.655 90.061 9.881 1.00 45.10 N ATOM 1060 CA MET A 111 60.663 91.089 8.858 1.00 43.31 C ATOM 1061 C MET A 111 59.301 91.668 8.604 1.00 39.89 C ATOM 1062 O MET A 111 58.303 91.004 8.777 1.00 37.58 O ATOM 1063 CB MET A 111 61.087 90.495 7.561 1.00 50.15 C ATOM 1064 CG MET A 111 62.562 90.374 7.387 1.00 56.89 C ATOM 1065 SD MET A 111 62.904 89.952 5.629 1.00 61.98 S ATOM 1066 CE MET A 111 64.477 89.168 6.023 1.00 77.22 C ATOM 1067 H MET A 111 59.802 89.473 9.971 1.00 0.00 H ATOM 1068 N VAL A 112 59.306 92.911 8.149 1.00 38.86 N ATOM 1069 CA VAL A 112 58.127 93.594 7.669 1.00 35.29 C ATOM 1070 C VAL A 112 58.495 94.312 6.369 1.00 38.96 C ATOM 1071 O VAL A 112 59.509 94.979 6.283 1.00 39.35 O ATOM 1072 CB VAL A 112 57.617 94.606 8.683 1.00 35.04 C ATOM 1073 CG1 VAL A 112 56.443 95.380 8.101 1.00 38.21 C ATOM 1074 CG2 VAL A 112 57.137 93.893 9.921 1.00 36.11 C ATOM 1075 H VAL A 112 60.210 93.425 8.136 1.00 0.00 H ATOM 1076 N LEU A 113 57.641 94.166 5.365 1.00 39.22 N ATOM 1077 CA LEU A 113 57.799 94.827 4.090 1.00 36.44 C ATOM 1078 C LEU A 113 57.059 96.149 4.135 1.00 36.98 C ATOM 1079 O LEU A 113 55.869 96.186 4.442 1.00 37.96 O ATOM 1080 CB LEU A 113 57.231 93.934 2.982 1.00 39.32 C ATOM 1081 CG LEU A 113 57.308 94.443 1.552 1.00 40.49 C ATOM 1082 CD1 LEU A 113 58.765 94.518 1.123 1.00 40.59 C ATOM 1083 CD2 LEU A 113 56.529 93.562 0.626 1.00 39.39 C ATOM 1084 H LEU A 113 56.818 93.546 5.502 1.00 0.00 H ATOM 1085 N VAL A 114 57.752 97.229 3.802 1.00 36.81 N ATOM 1086 CA VAL A 114 57.219 98.581 3.907 1.00 33.07 C ATOM 1087 C VAL A 114 57.242 99.258 2.561 1.00 31.59 C ATOM 1088 O VAL A 114 58.307 99.437 1.966 1.00 31.33 O ATOM 1089 CB VAL A 114 58.067 99.416 4.886 1.00 34.05 C ATOM 1090 CG1 VAL A 114 57.487 100.820 5.033 1.00 37.31 C ATOM 1091 CG2 VAL A 114 58.187 98.720 6.239 1.00 33.02 C ATOM 1092 H VAL A 114 58.722 97.105 3.449 1.00 0.00 H ATOM 1093 N GLY A 115 56.062 99.633 2.079 1.00 34.41 N ATOM 1094 CA GLY A 115 55.916 100.428 0.845 1.00 36.72 C ATOM 1095 C GLY A 115 55.724 101.888 1.192 1.00 37.89 C ATOM 1096 O GLY A 115 54.597 102.308 1.486 1.00 42.84 O ATOM 1097 H GLY A 115 55.203 99.354 2.595 1.00 0.00 H ATOM 1098 N ASN A 116 56.810 102.653 1.165 1.00 38.04 N ATOM 1099 CA ASN A 116 56.806 104.063 1.594 1.00 38.44 C ATOM 1100 C ASN A 116 56.457 105.009 0.440 1.00 36.35 C ATOM 1101 O ASN A 116 56.457 104.615 -0.707 1.00 36.15 O ATOM 1102 CB ASN A 116 58.190 104.432 2.220 1.00 40.05 C ATOM 1103 CG ASN A 116 58.162 105.773 2.934 1.00 36.69 C ATOM 1104 OD1 ASN A 116 57.206 106.059 3.675 1.00 32.66 O ATOM 1105 ND2 ASN A 116 59.173 106.632 2.673 1.00 29.99 N ATOM 1106 HD22 ASN A 116 59.951 106.344 2.045 1.00 0.00 H ATOM 1107 HD21 ASN A 116 59.173 107.580 3.100 1.00 0.00 H ATOM 1108 H ASN A 116 57.702 102.239 0.826 1.00 0.00 H ATOM 1109 N LYS A 117 56.157 106.254 0.786 1.00 36.57 N ATOM 1110 CA LYS A 117 55.804 107.323 -0.144 1.00 40.84 C ATOM 1111 C LYS A 117 54.441 107.135 -0.762 1.00 43.55 C ATOM 1112 O LYS A 117 54.222 107.578 -1.892 1.00 48.77 O ATOM 1113 CB LYS A 117 56.844 107.533 -1.245 1.00 42.89 C ATOM 1114 CG LYS A 117 58.263 107.531 -0.745 1.00 42.59 C ATOM 1115 CD LYS A 117 59.173 108.306 -1.677 1.00 41.91 C ATOM 1116 CE LYS A 117 60.610 108.124 -1.339 1.00 45.04 C ATOM 1117 NZ LYS A 117 61.436 109.107 -2.057 1.00 46.45 N ATOM 1118 HZ1 LYS A 117 61.311 108.981 -3.082 1.00 0.00 H ATOM 1119 HZ2 LYS A 117 61.143 110.068 -1.786 1.00 0.00 H ATOM 1120 HZ3 LYS A 117 62.436 108.965 -1.809 1.00 0.00 H ATOM 1121 H LYS A 117 56.175 106.487 1.799 1.00 0.00 H ATOM 1122 N CYS A 118 53.512 106.549 -0.011 1.00 44.12 N ATOM 1123 CA CYS A 118 52.151 106.349 -0.511 1.00 44.85 C ATOM 1124 C CYS A 118 51.351 107.643 -0.677 1.00 45.11 C ATOM 1125 O CYS A 118 50.278 107.616 -1.237 1.00 47.64 O ATOM 1126 CB CYS A 118 51.390 105.362 0.358 1.00 44.76 C ATOM 1127 SG CYS A 118 50.957 106.043 1.973 1.00 51.85 S ATOM 1128 H CYS A 118 53.757 106.228 0.947 1.00 0.00 H ATOM 1129 N ASP A 119 51.868 108.752 -0.160 1.00 45.62 N ATOM 1130 CA ASP A 119 51.321 110.089 -0.452 1.00 43.12 C ATOM 1131 C ASP A 119 51.564 110.567 -1.880 1.00 44.62 C ATOM 1132 O ASP A 119 50.870 111.454 -2.345 1.00 44.16 O ATOM 1133 CB ASP A 119 51.907 111.118 0.527 1.00 45.41 C ATOM 1134 CG ASP A 119 53.412 111.290 0.338 1.00 50.38 C ATOM 1135 OD1 ASP A 119 54.153 110.394 0.788 1.00 49.56 O ATOM 1136 OD2 ASP A 119 53.868 112.303 -0.276 1.00 48.00 O ATOM 1137 H ASP A 119 52.689 108.674 0.474 1.00 0.00 H ATOM 1138 N LEU A 120 52.565 110.034 -2.561 1.00 50.30 N ATOM 1139 CA LEU A 120 52.889 110.510 -3.915 1.00 48.49 C ATOM 1140 C LEU A 120 51.949 109.948 -4.979 1.00 52.14 C ATOM 1141 O LEU A 120 51.637 108.754 -4.958 1.00 58.54 O ATOM 1142 CB LEU A 120 54.329 110.154 -4.303 1.00 49.39 C ATOM 1143 CG LEU A 120 55.443 110.859 -3.545 1.00 51.24 C ATOM 1144 CD1 LEU A 120 56.770 110.462 -4.074 1.00 46.35 C ATOM 1145 CD2 LEU A 120 55.331 112.371 -3.598 1.00 50.54 C ATOM 1146 H LEU A 120 53.129 109.271 -2.135 1.00 0.00 H ATOM 1147 N PRO A 121 51.563 110.785 -5.943 1.00 57.32 N ATOM 1148 CA PRO A 121 50.683 110.359 -7.027 1.00 54.55 C ATOM 1149 C PRO A 121 51.319 109.448 -8.066 1.00 48.62 C ATOM 1150 O PRO A 121 50.605 108.747 -8.758 1.00 52.20 O ATOM 1151 CB PRO A 121 50.334 111.690 -7.706 1.00 58.03 C ATOM 1152 CG PRO A 121 51.603 112.499 -7.559 1.00 57.92 C ATOM 1153 CD PRO A 121 52.065 112.156 -6.180 1.00 58.05 C ATOM 1154 N SER A 122 52.649 109.438 -8.176 1.00 44.53 N ATOM 1155 CA SER A 122 53.351 108.684 -9.232 1.00 43.67 C ATOM 1156 C SER A 122 53.553 107.191 -8.910 1.00 41.18 C ATOM 1157 O SER A 122 54.628 106.633 -9.124 1.00 35.10 O ATOM 1158 CB SER A 122 54.669 109.388 -9.595 1.00 44.81 C ATOM 1159 OG SER A 122 55.416 109.715 -8.442 1.00 41.54 O ATOM 1160 HG SER A 122 56.256 110.165 -8.711 1.00 0.00 H ATOM 1161 H SER A 122 53.212 109.982 -7.491 1.00 0.00 H ATOM 1162 N ARG A 123 52.501 106.522 -8.450 1.00 42.59 N ATOM 1163 CA ARG A 123 52.614 105.135 -8.040 1.00 42.75 C ATOM 1164 C ARG A 123 52.959 104.247 -9.238 1.00 42.21 C ATOM 1165 O ARG A 123 52.294 104.324 -10.260 1.00 53.66 O ATOM 1166 CB ARG A 123 51.319 104.656 -7.412 1.00 44.51 C ATOM 1167 CG ARG A 123 51.287 103.161 -7.088 1.00 41.01 C ATOM 1168 CD ARG A 123 49.932 102.722 -6.584 1.00 42.37 C ATOM 1169 NE ARG A 123 49.666 103.108 -5.176 1.00 39.27 N ATOM 1170 CZ ARG A 123 50.056 102.435 -4.106 1.00 40.68 C ATOM 1171 NH1 ARG A 123 50.767 101.323 -4.210 1.00 51.46 N ATOM 1172 NH2 ARG A 123 49.731 102.870 -2.914 1.00 41.84 N ATOM 1173 HE ARG A 123 49.127 103.983 -5.017 1.00 0.00 H ATOM 1174 HH12 ARG A 123 51.062 100.812 -3.353 1.00 0.00 H ATOM 1175 HH11 ARG A 123 51.031 100.960 -5.148 1.00 0.00 H ATOM 1176 HH22 ARG A 123 50.034 102.346 -2.069 1.00 0.00 H ATOM 1177 HH21 ARG A 123 49.170 103.740 -2.813 1.00 0.00 H ATOM 1178 H ARG A 123 51.580 107.001 -8.383 1.00 0.00 H ATOM 1179 N THR A 124 54.005 103.442 -9.096 1.00 38.88 N ATOM 1180 CA THR A 124 54.366 102.430 -10.071 1.00 41.87 C ATOM 1181 C THR A 124 54.301 100.978 -9.551 1.00 42.48 C ATOM 1182 O THR A 124 54.416 100.062 -10.348 1.00 43.19 O ATOM 1183 CB THR A 124 55.792 102.680 -10.623 1.00 41.92 C ATOM 1184 OG1 THR A 124 56.757 102.250 -9.669 1.00 42.78 O ATOM 1185 CG2 THR A 124 56.029 104.149 -10.931 1.00 45.88 C ATOM 1186 HG1 THR A 124 56.637 101.283 -9.493 1.00 0.00 H ATOM 1187 H THR A 124 54.594 103.542 -8.245 1.00 0.00 H ATOM 1188 N VAL A 125 54.170 100.761 -8.243 1.00 43.00 N ATOM 1189 CA VAL A 125 54.094 99.415 -7.665 1.00 45.69 C ATOM 1190 C VAL A 125 52.725 99.253 -7.015 1.00 53.14 C ATOM 1191 O VAL A 125 52.306 100.078 -6.203 1.00 48.30 O ATOM 1192 CB VAL A 125 55.152 99.171 -6.579 1.00 44.15 C ATOM 1193 CG1 VAL A 125 55.036 97.742 -6.046 1.00 44.34 C ATOM 1194 CG2 VAL A 125 56.544 99.440 -7.098 1.00 45.46 C ATOM 1195 H VAL A 125 54.119 101.581 -7.605 1.00 0.00 H ATOM 1196 N ASP A 126 52.043 98.172 -7.345 1.00 57.00 N ATOM 1197 CA ASP A 126 50.692 97.969 -6.876 1.00 56.93 C ATOM 1198 C ASP A 126 50.695 97.369 -5.491 1.00 53.71 C ATOM 1199 O ASP A 126 51.507 96.542 -5.180 1.00 56.95 O ATOM 1200 CB ASP A 126 49.937 97.073 -7.883 1.00 64.94 C ATOM 1201 CG ASP A 126 49.446 97.850 -9.088 1.00 62.92 C ATOM 1202 OD1 ASP A 126 49.019 99.022 -8.912 1.00 61.84 O ATOM 1203 OD2 ASP A 126 49.500 97.287 -10.205 1.00 74.44 O ATOM 1204 H ASP A 126 52.486 97.454 -7.953 1.00 0.00 H ATOM 1205 N THR A 127 49.764 97.803 -4.671 1.00 49.56 N ATOM 1206 CA THR A 127 49.513 97.212 -3.362 1.00 49.08 C ATOM 1207 C THR A 127 49.370 95.688 -3.468 1.00 52.79 C ATOM 1208 O THR A 127 49.956 94.944 -2.676 1.00 49.30 O ATOM 1209 CB THR A 127 48.253 97.839 -2.728 1.00 44.72 C ATOM 1210 OG1 THR A 127 48.491 99.227 -2.510 1.00 56.65 O ATOM 1211 CG2 THR A 127 47.848 97.165 -1.431 1.00 44.48 C ATOM 1212 HG1 THR A 127 49.264 99.336 -1.901 1.00 0.00 H ATOM 1213 H THR A 127 49.177 98.608 -4.971 1.00 0.00 H ATOM 1214 N LYS A 128 48.599 95.236 -4.456 1.00 54.70 N ATOM 1215 CA LYS A 128 48.395 93.817 -4.658 1.00 58.74 C ATOM 1216 C LYS A 128 49.726 93.103 -4.972 1.00 56.28 C ATOM 1217 O LYS A 128 49.971 92.025 -4.441 1.00 50.15 O ATOM 1218 CB LYS A 128 47.353 93.572 -5.736 1.00 72.13 C ATOM 1219 CG LYS A 128 47.070 92.080 -5.986 1.00 74.56 C ATOM 1220 CD LYS A 128 45.811 91.917 -6.824 1.00 81.28 C ATOM 1221 CE LYS A 128 45.877 90.888 -7.988 1.00 80.83 C ATOM 1222 NZ LYS A 128 45.330 91.502 -9.254 1.00 77.40 N ATOM 1223 HZ1 LYS A 128 44.340 91.783 -9.102 1.00 0.00 H ATOM 1224 HZ2 LYS A 128 45.895 92.338 -9.504 1.00 0.00 H ATOM 1225 HZ3 LYS A 128 45.379 90.806 -10.025 1.00 0.00 H ATOM 1226 H LYS A 128 48.135 95.915 -5.093 1.00 0.00 H ATOM 1227 N GLN A 129 50.590 93.686 -5.803 1.00 53.69 N ATOM 1228 CA GLN A 129 51.906 93.071 -6.048 1.00 55.12 C ATOM 1229 C GLN A 129 52.711 92.899 -4.763 1.00 51.81 C ATOM 1230 O GLN A 129 53.240 91.825 -4.480 1.00 50.09 O ATOM 1231 CB GLN A 129 52.763 93.907 -6.989 1.00 58.62 C ATOM 1232 CG GLN A 129 52.379 93.973 -8.435 1.00 63.25 C ATOM 1233 CD GLN A 129 53.385 94.872 -9.136 1.00 67.77 C ATOM 1234 OE1 GLN A 129 53.088 96.058 -9.299 1.00 67.17 O ATOM 1235 NE2 GLN A 129 54.639 94.380 -9.334 1.00 65.46 N ATOM 1236 HE22 GLN A 129 54.831 93.369 -9.181 1.00 0.00 H ATOM 1237 HE21 GLN A 129 55.405 95.015 -9.638 1.00 0.00 H ATOM 1238 H GLN A 129 50.335 94.575 -6.278 1.00 0.00 H ATOM 1239 N ALA A 130 52.794 93.977 -3.995 1.00 45.26 N ATOM 1240 CA ALA A 130 53.541 93.995 -2.739 1.00 45.34 C ATOM 1241 C ALA A 130 52.965 93.035 -1.722 1.00 46.27 C ATOM 1242 O ALA A 130 53.713 92.329 -1.067 1.00 40.29 O ATOM 1243 CB ALA A 130 53.569 95.397 -2.166 1.00 47.37 C ATOM 1244 H ALA A 130 52.308 94.845 -4.299 1.00 0.00 H ATOM 1245 N GLN A 131 51.642 92.994 -1.590 1.00 47.75 N ATOM 1246 CA GLN A 131 50.998 91.983 -0.726 1.00 46.27 C ATOM 1247 C GLN A 131 51.354 90.566 -1.120 1.00 41.73 C ATOM 1248 O GLN A 131 51.626 89.753 -0.262 1.00 45.90 O ATOM 1249 CB GLN A 131 49.488 92.144 -0.695 1.00 48.81 C ATOM 1250 CG GLN A 131 48.994 93.253 0.222 1.00 48.21 C ATOM 1251 CD GLN A 131 47.498 93.513 0.096 1.00 54.87 C ATOM 1252 OE1 GLN A 131 46.845 93.134 -0.909 1.00 58.40 O ATOM 1253 NE2 GLN A 131 46.927 94.097 1.150 1.00 54.01 N ATOM 1254 HE22 GLN A 131 47.509 94.394 1.959 1.00 0.00 H ATOM 1255 HE21 GLN A 131 45.899 94.256 1.163 1.00 0.00 H ATOM 1256 H GLN A 131 51.053 93.682 -2.101 1.00 0.00 H ATOM 1257 N ASP A 132 51.371 90.276 -2.411 1.00 47.07 N ATOM 1258 CA ASP A 132 51.726 88.931 -2.895 1.00 55.03 C ATOM 1259 C ASP A 132 53.157 88.586 -2.562 1.00 48.13 C ATOM 1260 O ASP A 132 53.426 87.473 -2.135 1.00 44.45 O ATOM 1261 CB ASP A 132 51.495 88.792 -4.407 1.00 64.54 C ATOM 1262 CG ASP A 132 49.997 88.875 -4.788 1.00 80.00 C ATOM 1263 OD1 ASP A 132 49.114 88.662 -3.921 1.00 81.14 O ATOM 1264 OD2 ASP A 132 49.701 89.166 -5.968 1.00 94.50 O ATOM 1265 H ASP A 132 51.128 91.016 -3.100 1.00 0.00 H ATOM 1266 N LEU A 133 54.072 89.536 -2.746 1.00 47.06 N ATOM 1267 CA LEU A 133 55.470 89.319 -2.383 1.00 49.52 C ATOM 1268 C LEU A 133 55.594 89.034 -0.889 1.00 51.86 C ATOM 1269 O LEU A 133 56.311 88.111 -0.482 1.00 59.56 O ATOM 1270 CB LEU A 133 56.326 90.531 -2.743 1.00 53.28 C ATOM 1271 CG LEU A 133 57.846 90.386 -2.468 1.00 50.86 C ATOM 1272 CD1 LEU A 133 58.478 89.332 -3.346 1.00 46.38 C ATOM 1273 CD2 LEU A 133 58.586 91.685 -2.648 1.00 48.31 C ATOM 1274 H LEU A 133 53.786 90.448 -3.155 1.00 0.00 H ATOM 1275 N ALA A 134 54.891 89.815 -0.077 1.00 52.56 N ATOM 1276 CA ALA A 134 54.908 89.644 1.370 1.00 50.85 C ATOM 1277 C ALA A 134 54.348 88.282 1.768 1.00 50.08 C ATOM 1278 O ALA A 134 54.951 87.582 2.578 1.00 51.45 O ATOM 1279 CB ALA A 134 54.121 90.781 2.060 1.00 46.50 C ATOM 1280 H ALA A 134 54.309 90.573 -0.487 1.00 0.00 H ATOM 1281 N ARG A 135 53.205 87.917 1.202 1.00 52.78 N ATOM 1282 CA ARG A 135 52.581 86.597 1.438 1.00 55.24 C ATOM 1283 C ARG A 135 53.544 85.480 1.076 1.00 51.68 C ATOM 1284 O ARG A 135 53.643 84.506 1.794 1.00 55.26 O ATOM 1285 CB ARG A 135 51.255 86.452 0.663 1.00 67.10 C ATOM 1286 CG ARG A 135 50.170 85.665 1.392 1.00 83.26 C ATOM 1287 CD ARG A 135 48.804 85.822 0.700 1.00102.19 C ATOM 1288 NE ARG A 135 47.710 85.957 1.667 1.00112.37 N ATOM 1289 CZ ARG A 135 47.008 87.068 1.921 1.00116.84 C ATOM 1290 NH1 ARG A 135 47.247 88.228 1.284 1.00105.24 N ATOM 1291 NH2 ARG A 135 46.030 87.011 2.832 1.00120.85 N ATOM 1292 HE ARG A 135 47.455 85.107 2.208 1.00 0.00 H ATOM 1293 HH12 ARG A 135 46.680 89.071 1.508 1.00 0.00 H ATOM 1294 HH11 ARG A 135 47.998 88.282 0.567 1.00 0.00 H ATOM 1295 HH22 ARG A 135 45.470 87.860 3.047 1.00 0.00 H ATOM 1296 HH21 ARG A 135 45.830 86.117 3.325 1.00 0.00 H ATOM 1297 H ARG A 135 52.728 88.587 0.566 1.00 0.00 H ATOM 1298 N SER A 136 54.306 85.648 -0.004 1.00 50.58 N ATOM 1299 CA SER A 136 55.263 84.634 -0.438 1.00 48.88 C ATOM 1300 C SER A 136 56.395 84.471 0.574 1.00 45.91 C ATOM 1301 O SER A 136 56.926 83.394 0.708 1.00 46.54 O ATOM 1302 CB SER A 136 55.811 84.936 -1.838 1.00 48.97 C ATOM 1303 OG SER A 136 56.947 85.804 -1.828 1.00 61.51 O ATOM 1304 HG SER A 136 56.697 86.668 -1.413 1.00 0.00 H ATOM 1305 H SER A 136 54.217 86.526 -0.554 1.00 0.00 H ATOM 1306 N TYR A 137 56.770 85.540 1.265 1.00 44.00 N ATOM 1307 CA TYR A 137 57.794 85.475 2.313 1.00 43.31 C ATOM 1308 C TYR A 137 57.233 85.105 3.702 1.00 42.71 C ATOM 1309 O TYR A 137 57.997 84.904 4.647 1.00 45.63 O ATOM 1310 CB TYR A 137 58.515 86.824 2.429 1.00 41.85 C ATOM 1311 CG TYR A 137 59.316 87.289 1.217 1.00 42.68 C ATOM 1312 CD1 TYR A 137 59.801 86.407 0.230 1.00 45.68 C ATOM 1313 CD2 TYR A 137 59.659 88.646 1.101 1.00 45.34 C ATOM 1314 CE1 TYR A 137 60.566 86.861 -0.836 1.00 47.08 C ATOM 1315 CE2 TYR A 137 60.414 89.130 0.039 1.00 47.70 C ATOM 1316 CZ TYR A 137 60.877 88.242 -0.932 1.00 52.77 C ATOM 1317 OH TYR A 137 61.638 88.749 -1.980 1.00 46.67 O ATOM 1318 HH TYR A 137 61.895 88.010 -2.587 1.00 0.00 H ATOM 1319 H TYR A 137 56.322 86.455 1.056 1.00 0.00 H ATOM 1320 N GLY A 138 55.919 85.033 3.826 1.00 43.50 N ATOM 1321 CA GLY A 138 55.251 84.822 5.119 1.00 45.09 C ATOM 1322 C GLY A 138 55.399 85.973 6.095 1.00 43.83 C ATOM 1323 O GLY A 138 55.479 85.736 7.268 1.00 49.86 O ATOM 1324 H GLY A 138 55.332 85.130 2.973 1.00 0.00 H ATOM 1325 N ILE A 139 55.423 87.212 5.608 1.00 40.43 N ATOM 1326 CA ILE A 139 55.634 88.404 6.441 1.00 41.91 C ATOM 1327 C ILE A 139 54.592 89.473 6.185 1.00 39.22 C ATOM 1328 O ILE A 139 53.994 89.494 5.134 1.00 44.69 O ATOM 1329 CB ILE A 139 57.020 89.013 6.202 1.00 42.45 C ATOM 1330 CG1 ILE A 139 57.115 89.725 4.855 1.00 42.65 C ATOM 1331 CG2 ILE A 139 58.093 87.920 6.290 1.00 39.18 C ATOM 1332 CD1 ILE A 139 58.449 90.383 4.550 1.00 42.61 C ATOM 1333 H ILE A 139 55.285 87.343 4.585 1.00 0.00 H ATOM 1334 N PRO A 140 54.372 90.380 7.133 1.00 39.11 N ATOM 1335 CA PRO A 140 53.413 91.466 6.909 1.00 35.51 C ATOM 1336 C PRO A 140 53.858 92.500 5.869 1.00 35.99 C ATOM 1337 O PRO A 140 55.039 92.677 5.639 1.00 41.08 O ATOM 1338 CB PRO A 140 53.304 92.148 8.289 1.00 34.32 C ATOM 1339 CG PRO A 140 53.791 91.179 9.251 1.00 35.63 C ATOM 1340 CD PRO A 140 54.869 90.400 8.521 1.00 38.90 C ATOM 1341 N PHE A 141 52.884 93.205 5.315 1.00 37.62 N ATOM 1342 CA PHE A 141 53.066 94.372 4.474 1.00 36.00 C ATOM 1343 C PHE A 141 52.352 95.578 5.047 1.00 33.52 C ATOM 1344 O PHE A 141 51.227 95.462 5.441 1.00 34.38 O ATOM 1345 CB PHE A 141 52.513 94.086 3.074 1.00 35.41 C ATOM 1346 CG PHE A 141 52.523 95.284 2.193 1.00 37.74 C ATOM 1347 CD1 PHE A 141 53.742 95.824 1.824 1.00 39.87 C ATOM 1348 CD2 PHE A 141 51.355 95.898 1.771 1.00 39.94 C ATOM 1349 CE1 PHE A 141 53.798 96.941 0.995 1.00 41.76 C ATOM 1350 CE2 PHE A 141 51.415 96.997 0.925 1.00 41.73 C ATOM 1351 CZ PHE A 141 52.630 97.528 0.550 1.00 44.50 C ATOM 1352 H PHE A 141 51.908 92.896 5.498 1.00 0.00 H ATOM 1353 N ILE A 142 53.016 96.726 5.059 1.00 37.76 N ATOM 1354 CA ILE A 142 52.458 97.983 5.568 1.00 41.25 C ATOM 1355 C ILE A 142 52.787 99.062 4.564 1.00 41.26 C ATOM 1356 O ILE A 142 53.925 99.191 4.159 1.00 45.82 O ATOM 1357 CB ILE A 142 53.028 98.391 6.955 1.00 45.65 C ATOM 1358 CG1 ILE A 142 53.017 97.211 7.935 1.00 54.39 C ATOM 1359 CG2 ILE A 142 52.241 99.535 7.557 1.00 43.75 C ATOM 1360 CD1 ILE A 142 51.669 96.787 8.443 1.00 65.17 C ATOM 1361 H ILE A 142 53.987 96.735 4.687 1.00 0.00 H ATOM 1362 N GLU A 143 51.787 99.837 4.180 1.00 43.12 N ATOM 1363 CA GLU A 143 51.956 100.986 3.321 1.00 45.59 C ATOM 1364 C GLU A 143 52.168 102.190 4.234 1.00 42.18 C ATOM 1365 O GLU A 143 51.384 102.377 5.184 1.00 45.87 O ATOM 1366 CB GLU A 143 50.703 101.145 2.477 1.00 46.80 C ATOM 1367 CG GLU A 143 50.789 102.099 1.310 1.00 56.50 C ATOM 1368 CD GLU A 143 49.616 101.940 0.399 1.00 69.36 C ATOM 1369 OE1 GLU A 143 49.615 100.977 -0.399 1.00 83.26 O ATOM 1370 OE2 GLU A 143 48.745 102.830 0.397 1.00 68.27 O ATOM 1371 H GLU A 143 50.829 99.607 4.514 1.00 0.00 H ATOM 1372 N THR A 144 53.221 102.979 3.976 1.00 39.92 N ATOM 1373 CA THR A 144 53.550 104.147 4.819 1.00 40.68 C ATOM 1374 C THR A 144 53.754 105.445 4.032 1.00 39.60 C ATOM 1375 O THR A 144 54.028 105.435 2.829 1.00 33.49 O ATOM 1376 CB THR A 144 54.835 103.923 5.653 1.00 39.69 C ATOM 1377 OG1 THR A 144 55.980 103.804 4.812 1.00 37.76 O ATOM 1378 CG2 THR A 144 54.728 102.693 6.510 1.00 42.16 C ATOM 1379 HG1 THR A 144 56.087 104.634 4.282 1.00 0.00 H ATOM 1380 H THR A 144 53.825 102.762 3.157 1.00 0.00 H ATOM 1381 N SER A 145 53.670 106.557 4.747 1.00 40.53 N ATOM 1382 CA SER A 145 54.216 107.824 4.270 1.00 40.74 C ATOM 1383 C SER A 145 54.932 108.545 5.410 1.00 43.81 C ATOM 1384 O SER A 145 54.293 108.940 6.382 1.00 45.51 O ATOM 1385 CB SER A 145 53.139 108.721 3.693 1.00 37.26 C ATOM 1386 OG SER A 145 53.581 110.050 3.534 1.00 41.96 O ATOM 1387 HG SER A 145 54.357 110.067 2.920 1.00 0.00 H ATOM 1388 H SER A 145 53.202 106.526 5.675 1.00 0.00 H ATOM 1389 N ALA A 146 56.243 108.718 5.290 1.00 42.40 N ATOM 1390 CA ALA A 146 56.987 109.537 6.238 1.00 41.17 C ATOM 1391 C ALA A 146 56.470 110.964 6.285 1.00 41.79 C ATOM 1392 O ALA A 146 56.619 111.633 7.321 1.00 46.43 O ATOM 1393 CB ALA A 146 58.487 109.518 5.955 1.00 38.26 C ATOM 1394 H ALA A 146 56.748 108.260 4.505 1.00 0.00 H ATOM 1395 N LYS A 147 55.866 111.432 5.189 1.00 43.66 N ATOM 1396 CA LYS A 147 55.347 112.804 5.130 1.00 50.47 C ATOM 1397 C LYS A 147 54.034 112.954 5.877 1.00 48.97 C ATOM 1398 O LYS A 147 53.899 113.863 6.673 1.00 57.58 O ATOM 1399 CB LYS A 147 55.161 113.255 3.680 1.00 55.98 C ATOM 1400 CG LYS A 147 54.897 114.745 3.530 1.00 57.03 C ATOM 1401 CD LYS A 147 54.920 115.209 2.079 1.00 62.65 C ATOM 1402 CE LYS A 147 55.168 116.718 2.035 1.00 75.08 C ATOM 1403 NZ LYS A 147 54.649 117.342 0.785 1.00 84.24 N ATOM 1404 HZ1 LYS A 147 55.121 116.914 -0.037 1.00 0.00 H ATOM 1405 HZ2 LYS A 147 53.623 117.182 0.719 1.00 0.00 H ATOM 1406 HZ3 LYS A 147 54.841 118.364 0.803 1.00 0.00 H ATOM 1407 H LYS A 147 55.761 110.812 4.361 1.00 0.00 H ATOM 1408 N THR A 148 53.056 112.098 5.617 1.00 46.55 N ATOM 1409 CA THR A 148 51.761 112.194 6.298 1.00 41.46 C ATOM 1410 C THR A 148 51.760 111.495 7.630 1.00 39.98 C ATOM 1411 O THR A 148 50.846 111.659 8.392 1.00 48.17 O ATOM 1412 CB THR A 148 50.596 111.617 5.463 1.00 39.99 C ATOM 1413 OG1 THR A 148 50.672 110.179 5.366 1.00 42.83 O ATOM 1414 CG2 THR A 148 50.573 112.244 4.073 1.00 38.55 C ATOM 1415 HG1 THR A 148 51.524 109.923 4.932 1.00 0.00 H ATOM 1416 H THR A 148 53.210 111.344 4.917 1.00 0.00 H ATOM 1417 N ARG A 149 52.768 110.673 7.893 1.00 44.00 N ATOM 1418 CA ARG A 149 52.890 109.838 9.090 1.00 44.81 C ATOM 1419 C ARG A 149 52.056 108.553 9.035 1.00 43.06 C ATOM 1420 O ARG A 149 52.099 107.745 9.976 1.00 45.56 O ATOM 1421 CB ARG A 149 52.578 110.623 10.362 1.00 46.95 C ATOM 1422 CG ARG A 149 53.518 110.307 11.521 1.00 50.47 C ATOM 1423 CD ARG A 149 52.974 110.795 12.857 1.00 60.50 C ATOM 1424 NE ARG A 149 53.291 109.805 13.890 1.00 60.35 N ATOM 1425 CZ ARG A 149 54.479 109.650 14.444 1.00 55.00 C ATOM 1426 NH1 ARG A 149 55.504 110.411 14.117 1.00 63.43 N ATOM 1427 NH2 ARG A 149 54.660 108.705 15.348 1.00 65.14 N ATOM 1428 HE ARG A 149 52.524 109.179 14.210 1.00 0.00 H ATOM 1429 HH12 ARG A 149 56.427 110.263 14.572 1.00 0.00 H ATOM 1430 HH11 ARG A 149 55.390 111.159 13.404 1.00 0.00 H ATOM 1431 HH22 ARG A 149 55.594 108.578 15.788 1.00 0.00 H ATOM 1432 HH21 ARG A 149 53.869 108.087 15.620 1.00 0.00 H ATOM 1433 H ARG A 149 53.534 110.617 7.192 1.00 0.00 H ATOM 1434 N GLN A 150 51.332 108.327 7.937 1.00 43.85 N ATOM 1435 CA GLN A 150 50.563 107.111 7.785 1.00 42.68 C ATOM 1436 C GLN A 150 51.484 105.894 7.920 1.00 39.99 C ATOM 1437 O GLN A 150 52.566 105.841 7.328 1.00 44.81 O ATOM 1438 CB GLN A 150 49.861 107.075 6.419 1.00 43.34 C ATOM 1439 CG GLN A 150 49.204 105.737 6.062 1.00 45.51 C ATOM 1440 CD GLN A 150 48.595 105.759 4.651 1.00 47.75 C ATOM 1441 OE1 GLN A 150 48.376 106.841 4.061 1.00 45.87 O ATOM 1442 NE2 GLN A 150 48.281 104.576 4.120 1.00 39.61 N ATOM 1443 HE22 GLN A 150 48.481 103.701 4.645 1.00 0.00 H ATOM 1444 HE21 GLN A 150 47.837 104.529 3.181 1.00 0.00 H ATOM 1445 H GLN A 150 51.320 109.037 7.177 1.00 0.00 H ATOM 1446 N GLY A 151 51.045 104.935 8.721 1.00 34.49 N ATOM 1447 CA GLY A 151 51.696 103.656 8.848 1.00 31.69 C ATOM 1448 C GLY A 151 53.008 103.593 9.594 1.00 33.34 C ATOM 1449 O GLY A 151 53.550 102.500 9.785 1.00 37.39 O ATOM 1450 H GLY A 151 50.190 105.114 9.285 1.00 0.00 H ATOM 1451 N VAL A 152 53.540 104.729 10.020 1.00 33.44 N ATOM 1452 CA VAL A 152 54.891 104.767 10.572 1.00 34.94 C ATOM 1453 C VAL A 152 54.956 103.976 11.891 1.00 36.16 C ATOM 1454 O VAL A 152 55.748 103.046 12.005 1.00 36.92 O ATOM 1455 CB VAL A 152 55.389 106.208 10.772 1.00 38.24 C ATOM 1456 CG1 VAL A 152 56.737 106.222 11.451 1.00 41.83 C ATOM 1457 CG2 VAL A 152 55.483 106.919 9.430 1.00 37.75 C ATOM 1458 H VAL A 152 52.987 105.607 9.960 1.00 0.00 H ATOM 1459 N ASP A 153 54.110 104.321 12.867 1.00 40.32 N ATOM 1460 CA ASP A 153 54.100 103.596 14.130 1.00 42.00 C ATOM 1461 C ASP A 153 53.772 102.137 13.865 1.00 40.76 C ATOM 1462 O ASP A 153 54.414 101.236 14.408 1.00 39.75 O ATOM 1463 CB ASP A 153 53.080 104.156 15.116 1.00 50.71 C ATOM 1464 CG ASP A 153 53.458 105.536 15.655 1.00 60.02 C ATOM 1465 OD1 ASP A 153 54.667 105.843 15.777 1.00 70.82 O ATOM 1466 OD2 ASP A 153 52.530 106.349 15.938 1.00 68.88 O ATOM 1467 H ASP A 153 53.453 105.114 12.723 1.00 0.00 H ATOM 1468 N ASP A 154 52.781 101.919 13.000 1.00 40.68 N ATOM 1469 CA ASP A 154 52.325 100.577 12.671 1.00 40.66 C ATOM 1470 C ASP A 154 53.471 99.698 12.158 1.00 37.59 C ATOM 1471 O ASP A 154 53.576 98.519 12.533 1.00 34.83 O ATOM 1472 CB ASP A 154 51.202 100.636 11.632 1.00 41.51 C ATOM 1473 CG ASP A 154 50.372 99.345 11.568 1.00 44.09 C ATOM 1474 OD1 ASP A 154 50.601 98.390 12.373 1.00 43.29 O ATOM 1475 OD2 ASP A 154 49.485 99.258 10.691 1.00 46.59 O ATOM 1476 H ASP A 154 52.320 102.733 12.546 1.00 0.00 H ATOM 1477 N ALA A 155 54.326 100.275 11.318 1.00 33.05 N ATOM 1478 CA ALA A 155 55.432 99.531 10.742 1.00 36.15 C ATOM 1479 C ALA A 155 56.396 99.032 11.806 1.00 37.02 C ATOM 1480 O ALA A 155 56.766 97.825 11.819 1.00 37.99 O ATOM 1481 CB ALA A 155 56.179 100.369 9.727 1.00 39.08 C ATOM 1482 H ALA A 155 54.200 101.277 11.069 1.00 0.00 H ATOM 1483 N PHE A 156 56.791 99.928 12.704 1.00 36.23 N ATOM 1484 CA PHE A 156 57.740 99.555 13.754 1.00 38.77 C ATOM 1485 C PHE A 156 57.095 98.630 14.801 1.00 38.67 C ATOM 1486 O PHE A 156 57.710 97.634 15.205 1.00 38.39 O ATOM 1487 CB PHE A 156 58.323 100.797 14.414 1.00 38.22 C ATOM 1488 CG PHE A 156 59.332 101.518 13.570 1.00 38.54 C ATOM 1489 CD1 PHE A 156 60.669 101.149 13.609 1.00 41.65 C ATOM 1490 CD2 PHE A 156 58.964 102.551 12.730 1.00 39.82 C ATOM 1491 CE1 PHE A 156 61.611 101.791 12.829 1.00 37.82 C ATOM 1492 CE2 PHE A 156 59.899 103.196 11.942 1.00 39.34 C ATOM 1493 CZ PHE A 156 61.226 102.810 11.994 1.00 39.23 C ATOM 1494 H PHE A 156 56.424 100.900 12.661 1.00 0.00 H ATOM 1495 N TYR A 157 55.858 98.934 15.206 1.00 38.34 N ATOM 1496 CA TYR A 157 55.193 98.154 16.251 1.00 38.67 C ATOM 1497 C TYR A 157 54.880 96.744 15.733 1.00 36.17 C ATOM 1498 O TYR A 157 54.964 95.774 16.480 1.00 34.03 O ATOM 1499 CB TYR A 157 53.890 98.815 16.744 1.00 43.66 C ATOM 1500 CG TYR A 157 53.992 100.175 17.421 1.00 47.04 C ATOM 1501 CD1 TYR A 157 55.178 100.899 17.454 1.00 49.63 C ATOM 1502 CD2 TYR A 157 52.872 100.738 18.036 1.00 55.50 C ATOM 1503 CE1 TYR A 157 55.244 102.152 18.055 1.00 57.83 C ATOM 1504 CE2 TYR A 157 52.917 101.994 18.645 1.00 53.71 C ATOM 1505 CZ TYR A 157 54.104 102.703 18.645 1.00 58.95 C ATOM 1506 OH TYR A 157 54.197 103.946 19.214 1.00 55.20 O ATOM 1507 HH TYR A 157 55.121 104.286 19.112 1.00 0.00 H ATOM 1508 H TYR A 157 55.360 99.737 14.772 1.00 0.00 H ATOM 1509 N THR A 158 54.521 96.641 14.449 1.00 35.41 N ATOM 1510 CA THR A 158 54.252 95.343 13.839 1.00 33.83 C ATOM 1511 C THR A 158 55.542 94.520 13.799 1.00 37.00 C ATOM 1512 O THR A 158 55.515 93.321 14.030 1.00 35.68 O ATOM 1513 CB THR A 158 53.659 95.479 12.424 1.00 33.79 C ATOM 1514 OG1 THR A 158 52.357 96.065 12.482 1.00 33.83 O ATOM 1515 CG2 THR A 158 53.560 94.100 11.736 1.00 32.82 C ATOM 1516 HG1 THR A 158 52.419 96.963 12.893 1.00 0.00 H ATOM 1517 H THR A 158 54.432 97.503 13.874 1.00 0.00 H ATOM 1518 N LEU A 159 56.681 95.159 13.531 1.00 39.46 N ATOM 1519 CA LEU A 159 57.946 94.431 13.544 1.00 36.85 C ATOM 1520 C LEU A 159 58.268 93.888 14.930 1.00 36.03 C ATOM 1521 O LEU A 159 58.749 92.762 15.064 1.00 39.67 O ATOM 1522 CB LEU A 159 59.089 95.298 13.028 1.00 38.44 C ATOM 1523 CG LEU A 159 60.460 94.607 12.991 1.00 39.29 C ATOM 1524 CD1 LEU A 159 60.438 93.290 12.187 1.00 39.84 C ATOM 1525 CD2 LEU A 159 61.521 95.556 12.498 1.00 38.98 C ATOM 1526 H LEU A 159 56.668 96.176 13.313 1.00 0.00 H ATOM 1527 N VAL A 160 58.004 94.671 15.969 1.00 35.16 N ATOM 1528 CA VAL A 160 58.202 94.201 17.351 1.00 35.32 C ATOM 1529 C VAL A 160 57.301 92.993 17.620 1.00 36.53 C ATOM 1530 O VAL A 160 57.775 92.008 18.159 1.00 36.66 O ATOM 1531 CB VAL A 160 57.952 95.312 18.371 1.00 36.15 C ATOM 1532 CG1 VAL A 160 57.814 94.778 19.788 1.00 36.74 C ATOM 1533 CG2 VAL A 160 59.074 96.337 18.288 1.00 37.82 C ATOM 1534 H VAL A 160 57.650 95.635 15.804 1.00 0.00 H ATOM 1535 N ARG A 161 56.028 93.062 17.227 1.00 37.18 N ATOM 1536 CA ARG A 161 55.116 91.918 17.378 1.00 38.86 C ATOM 1537 C ARG A 161 55.626 90.668 16.654 1.00 40.58 C ATOM 1538 O ARG A 161 55.472 89.565 17.142 1.00 39.06 O ATOM 1539 CB ARG A 161 53.687 92.257 16.899 1.00 39.01 C ATOM 1540 CG ARG A 161 52.931 93.222 17.771 1.00 38.42 C ATOM 1541 CD ARG A 161 51.488 93.404 17.353 1.00 37.45 C ATOM 1542 NE ARG A 161 50.995 94.642 17.937 1.00 41.26 N ATOM 1543 CZ ARG A 161 50.858 95.823 17.318 1.00 46.83 C ATOM 1544 NH1 ARG A 161 51.149 95.978 16.048 1.00 49.44 N ATOM 1545 NH2 ARG A 161 50.438 96.869 18.025 1.00 47.41 N ATOM 1546 HE ARG A 161 50.720 94.607 18.939 1.00 0.00 H ATOM 1547 HH12 ARG A 161 51.032 96.908 15.597 1.00 0.00 H ATOM 1548 HH11 ARG A 161 51.497 95.171 15.492 1.00 0.00 H ATOM 1549 HH22 ARG A 161 50.324 97.795 17.566 1.00 0.00 H ATOM 1550 HH21 ARG A 161 50.223 96.760 19.037 1.00 0.00 H ATOM 1551 H ARG A 161 55.673 93.944 16.805 1.00 0.00 H ATOM 1552 N GLU A 162 56.246 90.856 15.500 1.00 46.41 N ATOM 1553 CA GLU A 162 56.881 89.747 14.778 1.00 49.83 C ATOM 1554 C GLU A 162 58.053 89.149 15.536 1.00 49.84 C ATOM 1555 O GLU A 162 58.176 87.934 15.610 1.00 46.51 O ATOM 1556 CB GLU A 162 57.315 90.169 13.369 1.00 53.59 C ATOM 1557 CG GLU A 162 56.145 90.420 12.457 1.00 56.30 C ATOM 1558 CD GLU A 162 55.441 89.122 12.023 1.00 59.26 C ATOM 1559 OE1 GLU A 162 56.092 88.278 11.382 1.00 62.34 O ATOM 1560 OE2 GLU A 162 54.244 88.978 12.298 1.00 58.76 O ATOM 1561 H GLU A 162 56.284 91.813 15.095 1.00 0.00 H ATOM 1562 N ILE A 163 58.890 90.002 16.117 1.00 49.69 N ATOM 1563 CA ILE A 163 60.005 89.513 16.937 1.00 42.90 C ATOM 1564 C ILE A 163 59.498 88.727 18.138 1.00 42.92 C ATOM 1565 O ILE A 163 60.058 87.704 18.455 1.00 53.63 O ATOM 1566 CB ILE A 163 60.928 90.646 17.382 1.00 40.22 C ATOM 1567 CG1 ILE A 163 61.665 91.240 16.175 1.00 41.31 C ATOM 1568 CG2 ILE A 163 61.944 90.145 18.392 1.00 41.92 C ATOM 1569 CD1 ILE A 163 62.269 92.606 16.433 1.00 44.55 C ATOM 1570 H ILE A 163 58.754 91.025 15.990 1.00 0.00 H ATOM 1571 N ARG A 164 58.444 89.196 18.799 1.00 50.30 N ATOM 1572 CA ARG A 164 57.842 88.461 19.925 1.00 53.44 C ATOM 1573 C ARG A 164 57.368 87.083 19.523 1.00 55.18 C ATOM 1574 O ARG A 164 57.687 86.121 20.188 1.00 60.37 O ATOM 1575 CB ARG A 164 56.678 89.217 20.541 1.00 57.19 C ATOM 1576 CG ARG A 164 57.084 90.314 21.482 1.00 62.83 C ATOM 1577 CD ARG A 164 55.867 91.078 21.996 1.00 73.21 C ATOM 1578 NE ARG A 164 56.295 92.342 22.595 1.00 77.61 N ATOM 1579 CZ ARG A 164 55.532 93.422 22.765 1.00 76.28 C ATOM 1580 NH1 ARG A 164 54.232 93.437 22.379 1.00 65.61 N ATOM 1581 NH2 ARG A 164 56.089 94.529 23.299 1.00 83.03 N ATOM 1582 HE ARG A 164 57.282 92.404 22.917 1.00 0.00 H ATOM 1583 HH12 ARG A 164 53.657 94.292 22.522 1.00 0.00 H ATOM 1584 HH11 ARG A 164 53.810 92.594 21.940 1.00 0.00 H ATOM 1585 HH22 ARG A 164 55.514 95.384 23.441 1.00 0.00 H ATOM 1586 HH21 ARG A 164 57.094 94.528 23.568 1.00 0.00 H ATOM 1587 H ARG A 164 58.033 90.107 18.513 1.00 0.00 H ATOM 1588 N LYS A 165 56.614 86.985 18.436 1.00 57.92 N ATOM 1589 CA LYS A 165 56.150 85.677 17.950 1.00 64.14 C ATOM 1590 C LYS A 165 57.304 84.710 17.740 1.00 70.15 C ATOM 1591 O LYS A 165 57.202 83.557 18.111 1.00 76.88 O ATOM 1592 CB LYS A 165 55.344 85.813 16.666 1.00 67.06 C ATOM 1593 CG LYS A 165 53.957 86.402 16.913 1.00 75.91 C ATOM 1594 CD LYS A 165 52.968 86.174 15.771 1.00 80.49 C ATOM 1595 CE LYS A 165 53.423 86.799 14.478 1.00 77.39 C ATOM 1596 NZ LYS A 165 52.333 86.889 13.483 1.00 78.37 N ATOM 1597 HZ1 LYS A 165 51.978 85.934 13.272 1.00 0.00 H ATOM 1598 HZ2 LYS A 165 51.561 87.470 13.868 1.00 0.00 H ATOM 1599 HZ3 LYS A 165 52.696 87.325 12.612 1.00 0.00 H ATOM 1600 H LYS A 165 56.347 87.847 17.919 1.00 0.00 H ATOM 1601 N HIS A 166 58.409 85.193 17.178 1.00 74.72 N ATOM 1602 CA HIS A 166 59.561 84.342 16.877 1.00 71.79 C ATOM 1603 C HIS A 166 60.285 83.817 18.133 1.00 67.61 C ATOM 1604 O HIS A 166 60.870 82.741 18.059 1.00 75.28 O ATOM 1605 CB HIS A 166 60.469 85.016 15.818 1.00 85.60 C ATOM 1606 CG HIS A 166 61.847 84.432 15.692 1.00 98.55 C ATOM 1607 ND1 HIS A 166 62.966 85.085 16.169 1.00107.73 N ATOM 1608 CD2 HIS A 166 62.301 83.304 15.099 1.00 98.01 C ATOM 1609 CE1 HIS A 166 64.046 84.368 15.913 1.00 92.33 C ATOM 1610 NE2 HIS A 166 63.668 83.282 15.266 1.00 97.91 N ATOM 1611 H HIS A 166 58.456 86.206 16.946 1.00 0.00 H ATOM 1612 N LYS A 167 60.199 84.508 19.280 1.00 63.29 N ATOM 1613 CA LYS A 167 60.816 84.037 20.545 1.00 68.74 C ATOM 1614 C LYS A 167 59.815 83.733 21.661 1.00 68.58 C ATOM 1615 O LYS A 167 58.911 82.893 21.497 1.00 72.51 O ATOM 1616 CB LYS A 167 61.869 85.041 21.033 1.00 78.17 C ATOM 1617 CG LYS A 167 61.353 86.380 21.539 1.00 83.65 C ATOM 1618 CD LYS A 167 62.492 87.372 21.766 1.00 90.89 C ATOM 1619 CE LYS A 167 62.044 88.569 22.607 1.00 95.07 C ATOM 1620 NZ LYS A 167 63.043 89.677 22.569 1.00 91.06 N ATOM 1621 HZ1 LYS A 167 63.952 89.336 22.943 1.00 0.00 H ATOM 1622 HZ2 LYS A 167 63.168 89.995 21.587 1.00 0.00 H ATOM 1623 HZ3 LYS A 167 62.703 90.469 23.151 1.00 0.00 H ATOM 1624 H LYS A 167 59.680 85.409 19.283 1.00 0.00 H TER 1625 LYS A 167 HETATM 1626 MG MG A 1 68.945 107.508 5.081 1.00 37.00 MG HETATM 1627 O HOH 2 68.923 105.588 5.796 1.00 38.54 O HETATM 1628 O HOH 3 75.275 101.032 6.543 1.00 45.82 O HETATM 1629 O HOH 4 58.403 117.459 14.986 1.00 53.25 O HETATM 1630 O HOH 5 68.624 109.519 4.503 1.00 26.09 O HETATM 1631 O HOH 6 75.219 107.753 8.581 1.00 48.77 O HETATM 1632 O HOH 7 58.096 88.462 9.755 1.00 42.26 O HETATM 1633 O HOH 8 70.105 99.375 3.327 1.00 39.96 O HETATM 1634 O HOH 9 67.160 112.821 3.987 1.00 49.34 O HETATM 1635 O HOH 10 64.255 98.664 -1.442 1.00 41.64 O HETATM 1636 O HOH 11 50.855 98.589 15.067 1.00 31.89 O HETATM 1637 O HOH 12 61.033 112.495 8.377 1.00 44.63 O HETATM 1638 O14 D A 2 78.155 98.613 17.522 1.00 -0.39 O HETATM 1639 C13 D A 2 77.603 97.597 17.865 1.00 0.20 C HETATM 1640 C15 D A 2 78.301 96.302 17.638 1.00 0.04 C HETATM 1641 C28 D A 2 79.321 95.919 18.495 1.00 -0.05 C HETATM 1642 C27 D A 2 79.965 94.709 18.271 1.00 -0.03 C HETATM 1643 C26 D A 2 79.604 93.897 17.194 1.00 0.10 C HETATM 1644 O29 D A 2 80.151 92.679 16.955 1.00 -0.31 O HETATM 1645 C30 D A 2 79.261 91.600 17.314 1.00 0.11 C HETATM 1646 C31 D A 2 79.878 90.448 18.095 1.00 -0.00 C HETATM 1647 N32 D A 2 81.277 90.681 18.514 1.00 0.23 N HETATM 1648 C34 D A 2 81.340 91.702 19.584 1.00 -0.04 C HETATM 1649 H8 D A 2 82.388 91.859 19.880 1.00 0.08 H HETATM 1650 H9 D A 2 80.761 91.358 20.454 1.00 0.08 H HETATM 1651 H10 D A 2 80.918 92.648 19.214 1.00 0.08 H HETATM 1652 C33 D A 2 82.224 90.944 17.396 1.00 -0.04 C HETATM 1653 H11 D A 2 82.126 90.152 16.639 1.00 0.08 H HETATM 1654 H12 D A 2 83.254 90.957 17.783 1.00 0.08 H HETATM 1655 H13 D A 2 81.992 91.918 16.940 1.00 0.08 H HETATM 1656 H7 D A 2 81.588 89.817 18.931 1.00 0.20 H HETATM 1657 H5 D A 2 79.853 89.549 17.462 1.00 0.08 H HETATM 1658 H6 D A 2 79.271 90.278 18.997 1.00 0.08 H HETATM 1659 H3 D A 2 78.842 91.188 16.384 1.00 0.07 H HETATM 1660 H4 D A 2 78.451 92.023 17.926 1.00 0.07 H HETATM 1661 C25 D A 2 78.577 94.281 16.351 1.00 -0.03 C HETATM 1662 C24 D A 2 77.941 95.491 16.566 1.00 -0.05 C HETATM 1663 H15 D A 2 77.154 95.811 15.892 1.00 0.06 H HETATM 1664 H14 D A 2 78.273 93.641 15.530 1.00 0.06 H HETATM 1665 H2 D A 2 80.757 94.391 18.940 1.00 0.06 H HETATM 1666 H1 D A 2 79.611 96.553 19.325 1.00 0.06 H HETATM 1667 N12 D A 2 76.458 97.662 18.404 1.00 -0.28 N HETATM 1668 C11 D A 2 75.479 96.710 18.927 1.00 0.06 C HETATM 1669 C9 D A 2 74.253 96.613 17.970 1.00 0.13 C HETATM 1670 C8 D A 2 74.576 96.294 16.504 1.00 0.10 C HETATM 1671 O7 D A 2 73.353 95.905 15.848 1.00 -0.32 O HETATM 1672 C6 D A 2 72.248 96.679 16.057 1.00 0.12 C HETATM 1673 C3 D A 2 71.116 96.499 15.288 1.00 -0.04 C HETATM 1674 C2 D A 2 70.022 97.319 15.523 1.00 -0.08 C HETATM 1675 C1 D A 2 70.073 98.301 16.521 1.00 -0.07 C HETATM 1676 C4 D A 2 71.216 98.482 17.289 1.00 0.02 C HETATM 1677 C5 D A 2 72.294 97.653 17.055 1.00 0.13 C HETATM 1678 O10 D A 2 73.432 97.778 17.818 1.00 -0.31 O HETATM 1679 C16 D A 2 71.281 99.507 18.372 1.00 0.03 C HETATM 1680 N21 D A 2 71.792 99.096 19.593 1.00 -0.27 N HETATM 1681 C20 D A 2 71.900 99.947 20.657 1.00 0.16 C HETATM 1682 O22 D A 2 72.450 99.414 21.812 1.00 -0.30 O HETATM 1683 C23 D A 2 73.283 100.174 22.706 1.00 0.06 C HETATM 1684 H25 D A 2 73.596 99.537 23.546 1.00 0.06 H HETATM 1685 H26 D A 2 72.718 101.036 23.090 1.00 0.06 H HETATM 1686 H27 D A 2 74.172 100.531 22.165 1.00 0.06 H HETATM 1687 C19 D A 2 71.443 101.295 20.517 1.00 -0.01 C HETATM 1688 C18 D A 2 70.896 101.733 19.284 1.00 -0.05 C HETATM 1689 C17 D A 2 70.818 100.836 18.190 1.00 -0.04 C HETATM 1690 H30 D A 2 70.414 101.157 17.237 1.00 0.06 H HETATM 1691 H29 D A 2 70.539 102.751 19.179 1.00 0.07 H HETATM 1692 H28 D A 2 71.515 101.981 21.353 1.00 0.06 H HETATM 1693 H24 D A 2 69.207 98.929 16.696 1.00 0.05 H HETATM 1694 H23 D A 2 69.122 97.199 14.931 1.00 0.05 H HETATM 1695 H22 D A 2 71.083 95.736 14.519 1.00 0.05 H HETATM 1696 H20 D A 2 75.304 95.471 16.454 1.00 0.06 H HETATM 1697 H21 D A 2 74.995 97.184 16.013 1.00 0.06 H HETATM 1698 H19 D A 2 73.629 95.803 18.376 1.00 0.07 H HETATM 1699 H17 D A 2 75.140 97.046 19.918 1.00 0.05 H HETATM 1700 H18 D A 2 75.948 95.719 19.017 1.00 0.05 H HETATM 1701 H16 D A 2 76.143 98.607 18.495 1.00 0.18 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 143 142 144 1626 CONECT 317 316 319 1626 CONECT 1626 143 317 CONECT 1638 1639 CONECT 1639 1638 1640 1667 CONECT 1640 1639 1641 1662 CONECT 1641 1640 1642 1666 CONECT 1642 1641 1643 1665 CONECT 1643 1642 1644 1661 CONECT 1644 1643 1645 CONECT 1645 1644 1646 1659 1660 CONECT 1646 1645 1647 1657 1658 CONECT 1647 1646 1648 1652 1656 CONECT 1648 1647 1649 1650 1651 CONECT 1649 1648 CONECT 1650 1648 CONECT 1651 1648 CONECT 1652 1647 1653 1654 1655 CONECT 1653 1652 CONECT 1654 1652 CONECT 1655 1652 CONECT 1656 1647 CONECT 1657 1646 CONECT 1658 1646 CONECT 1659 1645 CONECT 1660 1645 CONECT 1661 1643 1662 1664 CONECT 1662 1640 1661 1663 CONECT 1663 1662 CONECT 1664 1661 CONECT 1665 1642 CONECT 1666 1641 CONECT 1667 1639 1668 1701 CONECT 1668 1667 1669 1699 1700 CONECT 1669 1668 1670 1678 1698 CONECT 1670 1669 1671 1696 1697 CONECT 1671 1670 1672 CONECT 1672 1671 1673 1677 CONECT 1673 1672 1674 1695 CONECT 1674 1673 1675 1694 CONECT 1675 1674 1676 1693 CONECT 1676 1675 1677 1679 CONECT 1677 1672 1676 1678 CONECT 1678 1669 1677 CONECT 1679 1676 1680 1689 CONECT 1680 1679 1681 CONECT 1681 1680 1682 1687 CONECT 1682 1681 1683 CONECT 1683 1682 1684 1685 1686 CONECT 1684 1683 CONECT 1685 1683 CONECT 1686 1683 CONECT 1687 1681 1688 1692 CONECT 1688 1687 1689 1691 CONECT 1689 1679 1688 1690 CONECT 1690 1689 CONECT 1691 1688 CONECT 1692 1687 CONECT 1693 1675 CONECT 1694 1674 CONECT 1695 1673 CONECT 1696 1670 CONECT 1697 1670 CONECT 1698 1669 CONECT 1699 1668 CONECT 1700 1668 CONECT 1701 1667 MASTER 0 0 0 0 0 0 0 0 1700 1 71 13 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6fa2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1clu
RCSB PDB
PDBbind
166aa, >1CLU_1|Chain... at 92%
1d8e
RCSB PDB
PDBbind
11aa, >1D8E_3|Chain... at 100%
1he8
RCSB PDB
PDBbind
166aa, >1HE8_2|Chain... at 92%
1nvu
RCSB PDB
PDBbind
166aa, >1NVU_1|Chains... at 92%
1wq1
RCSB PDB
PDBbind
166aa, >1WQ1_1|Chain... at 92%
4dst
RCSB PDB
PDBbind
189aa, >4DST_1|Chain... *
4dsu
RCSB PDB
PDBbind
189aa, >4DSU_1|Chain... at 100%
4epy
RCSB PDB
PDBbind
170aa, >4EPY_1|Chain... at 98%
4k81
RCSB PDB
PDBbind
171aa, >4K81_2|Chains... at 90%
4nyi
RCSB PDB
PDBbind
167aa, >4NYI_1|Chain... at 92%
4nyj
RCSB PDB
PDBbind
166aa, >4NYJ_2|Chain... at 92%
4nym
RCSB PDB
PDBbind
166aa, >4NYM_2|Chain... at 92%
5kyk
RCSB PDB
PDBbind
169aa, >5KYK_1|Chains... at 98%
6b0v
RCSB PDB
PDBbind
170aa, >6B0V_1|Chains... at 97%
6b0y
RCSB PDB
PDBbind
170aa, >6B0Y_1|Chains... at 97%
6d55
RCSB PDB
PDBbind
167aa, >6D55_3|Chain... at 92%
6d56
RCSB PDB
PDBbind
167aa, >6D56_3|Chain... at 92%
6d59
RCSB PDB
PDBbind
167aa, >6D59_3|Chain... at 92%
6d5e
RCSB PDB
PDBbind
167aa, >6D5E_3|Chain... at 92%
6d5g
RCSB PDB
PDBbind
167aa, >6D5G_3|Chain... at 92%
6d5h
RCSB PDB
PDBbind
167aa, >6D5H_3|Chain... at 92%
6d5j
RCSB PDB
PDBbind
167aa, >6D5J_3|Chain... at 92%
6fa3
RCSB PDB
PDBbind
172aa, >6FA3_2|Chain... at 96%
6fa4
RCSB PDB
PDBbind
173aa, >6FA4_2|Chains... at 96%
6quw
RCSB PDB
PDBbind
170aa, >6QUW_1|Chains... at 99%
6quv
RCSB PDB
PDBbind
170aa, >6QUV_1|Chains... at 99%
6pgp
RCSB PDB
PDBbind
183aa, >6PGP_1|Chains... at 90%
6pgo
RCSB PDB
PDBbind
183aa, >6PGO_1|Chains... at 90%
6p8z
RCSB PDB
PDBbind
183aa, >6P8Z_1|Chains... at 90%
6p8y
RCSB PDB
PDBbind
183aa, >6P8Y_1|Chains... at 90%
6p8x
RCSB PDB
PDBbind
183aa, >6P8X_1|Chains... at 90%
6gj8
RCSB PDB
PDBbind
169aa, >6GJ8_1|Chain... at 99%
6gj7
RCSB PDB
PDBbind
170aa, >6GJ7_1|Chain... at 99%
6gj6
RCSB PDB
PDBbind
170aa, >6GJ6_1|Chain... at 99%
6gj5
RCSB PDB
PDBbind
170aa, >6GJ5_1|Chains... at 98%
6d5w
RCSB PDB
PDBbind
167aa, >6D5W_2|Chain... at 92%
6ccx
RCSB PDB
PDBbind
187aa, >6CCX_2|Chain... at 97%
6oim
RCSB PDB
PDBbind
183aa, >6OIM_1|Chain... at 90%
6cc9
RCSB PDB
PDBbind
187aa, >6CC9_2|Chain... at 97%
6v5l
RCSB PDB
PDBbind
169aa, >6V5L_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6fa2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
GTPase KRas
Ligand Name
D2W
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=0.220uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 3169-3169
Ligand Properties
Formula
C
2
6
H
3
0
N
3
O
5
Molecular Weight
464.534
Exact Mass
464.219
No. of atoms
64
No. of bonds
67
Polar Surface Area
83.35
LOGP Value
3.58 (
Computed with XLOGP3
)
2.24 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
COc1cccc(n1)c1cccc2c1O[C@H](CNC(=O)c1ccc(cc1)OCC[NH+](C)C)CO2
InChI String
InChI=1S/C26H29N3O5/c1-29(2)14-15-32-19-12-10-18(11-13-19)26(30)27-16-20-17-33-23-8-4-6-21(25(23)34-20)22-7-5-9-24(28-22)31-3/h4-13,20H,14-17H2,1-3H3,(H,27,30)/p+1/t20-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P01116
Entrez Gene ID
NCBI Entrez Gene ID:
3845
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com