Browse entries in the PDBbind-CN Database
HEADER 6AR2_COMPLEX COMPND 6AR2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 134 PRO SER ALA LEU ALA ILE PHE THR CYS ARG PRO ASN SER SEQRES 2 A 134 HIS PRO PHE GLN GLU ARG HIS VAL TYR LEU ASP GLU PRO SEQRES 3 A 134 ILE LYS ILE GLY ARG SER VAL ALA ARG CYS ARG PRO ALA SEQRES 4 A 134 GLN ASN ASN ALA THR PHE ASP CYS LYS VAL LEU SER ARG SEQRES 5 A 134 ASN HIS ALA LEU VAL TRP PHE ASP HIS LYS THR GLY LYS SEQRES 6 A 134 PHE TYR LEU GLN ASP THR LYS SER SER ASN GLY THR PHE SEQRES 7 A 134 ILE ASN SER GLN ARG LEU SER ARG GLY SER GLU GLU SER SEQRES 8 A 134 PRO PRO CYS GLU ILE LEU SER GLY ASP ILE ILE GLN PHE SEQRES 9 A 134 GLY VAL ASP VAL THR GLU ASN THR ARG LYS VAL THR HIS SEQRES 10 A 134 GLY CYS ILE VAL SER THR ILE LYS LEU PHE LEU PRO ASP SEQRES 11 A 134 GLY MET GLU ALA HET ASP A 243 102 ATOM 1 N PRO A 2 21.939 139.105 119.247 1.00 65.73 N ATOM 2 CA PRO A 2 20.865 140.012 119.662 1.00 52.61 C ATOM 3 C PRO A 2 20.362 140.872 118.501 1.00 39.08 C ATOM 4 O PRO A 2 21.057 141.037 117.507 1.00 54.73 O ATOM 5 CB PRO A 2 21.528 140.880 120.745 1.00 57.21 C ATOM 6 CG PRO A 2 23.014 140.515 120.731 1.00 74.15 C ATOM 7 CD PRO A 2 23.260 139.691 119.504 1.00 67.86 C ATOM 8 HN2 PRO A 2 21.846 138.912 118.229 1.00 0.00 H ATOM 9 HN1 PRO A 2 21.854 138.214 119.777 1.00 0.00 H ATOM 10 N SER A 3 19.156 141.407 118.637 1.00 39.66 N ATOM 11 CA SER A 3 18.549 142.161 117.554 1.00 37.44 C ATOM 12 C SER A 3 18.813 143.646 117.724 1.00 32.00 C ATOM 13 O SER A 3 18.910 144.150 118.849 1.00 33.18 O ATOM 14 CB SER A 3 17.045 141.909 117.512 1.00 59.98 C ATOM 15 OG SER A 3 16.778 140.523 117.585 1.00 99.84 O ATOM 16 HG SER A 3 15.800 140.375 117.557 1.00 0.00 H ATOM 17 H SER A 3 18.638 141.285 119.531 1.00 0.00 H ATOM 18 N ALA A 4 18.916 144.347 116.590 1.00 31.72 N ATOM 19 CA ALA A 4 18.835 145.799 116.609 1.00 26.27 C ATOM 20 C ALA A 4 17.487 146.238 117.151 1.00 25.29 C ATOM 21 O ALA A 4 16.492 145.517 117.057 1.00 29.35 O ATOM 22 CB ALA A 4 19.027 146.364 115.209 1.00 27.91 C ATOM 23 H ALA A 4 19.055 143.850 115.687 1.00 0.00 H ATOM 24 N LEU A 5 17.451 147.438 117.731 1.00 26.95 N ATOM 25 CA LEU A 5 16.277 147.918 118.448 1.00 26.24 C ATOM 26 C LEU A 5 15.979 149.356 118.070 1.00 22.95 C ATOM 27 O LEU A 5 16.885 150.191 118.032 1.00 25.29 O ATOM 28 CB LEU A 5 16.477 147.816 119.963 1.00 25.99 C ATOM 29 CG LEU A 5 15.499 148.537 120.888 1.00 27.91 C ATOM 30 CD1 LEU A 5 14.139 147.883 120.806 1.00 29.01 C ATOM 31 CD2 LEU A 5 15.990 148.514 122.345 1.00 33.01 C ATOM 32 H LEU A 5 18.288 148.052 117.670 1.00 0.00 H ATOM 33 N ALA A 6 14.713 149.638 117.786 1.00 24.61 N ATOM 34 CA ALA A 6 14.233 150.996 117.574 1.00 24.14 C ATOM 35 C ALA A 6 13.227 151.331 118.667 1.00 24.55 C ATOM 36 O ALA A 6 12.309 150.545 118.927 1.00 27.81 O ATOM 37 CB ALA A 6 13.575 151.145 116.199 1.00 24.40 C ATOM 38 H ALA A 6 14.034 148.854 117.712 1.00 0.00 H ATOM 39 N ILE A 7 13.401 152.487 119.310 1.00 22.86 N ATOM 40 CA ILE A 7 12.449 152.988 120.305 1.00 23.17 C ATOM 41 C ILE A 7 11.807 154.245 119.736 1.00 22.96 C ATOM 42 O ILE A 7 12.513 155.203 119.397 1.00 24.79 O ATOM 43 CB ILE A 7 13.131 153.284 121.647 1.00 24.03 C ATOM 44 CG1 ILE A 7 13.840 152.034 122.171 1.00 27.67 C ATOM 45 CG2 ILE A 7 12.090 153.784 122.644 1.00 25.42 C ATOM 46 CD1 ILE A 7 14.647 152.254 123.462 1.00 38.19 C ATOM 47 H ILE A 7 14.246 153.055 119.097 1.00 0.00 H ATOM 48 N PHE A 8 10.475 154.235 119.628 1.00 24.36 N ATOM 49 CA PHE A 8 9.715 155.390 119.157 1.00 24.09 C ATOM 50 C PHE A 8 9.106 156.088 120.365 1.00 20.93 C ATOM 51 O PHE A 8 8.337 155.469 121.115 1.00 23.07 O ATOM 52 CB PHE A 8 8.585 154.989 118.214 1.00 23.32 C ATOM 53 CG PHE A 8 9.026 154.381 116.905 1.00 26.33 C ATOM 54 CD1 PHE A 8 9.443 153.068 116.842 1.00 24.71 C ATOM 55 CD2 PHE A 8 8.937 155.109 115.750 1.00 29.38 C ATOM 56 CE1 PHE A 8 9.812 152.493 115.641 1.00 27.99 C ATOM 57 CE2 PHE A 8 9.318 154.554 114.540 1.00 30.60 C ATOM 58 CZ PHE A 8 9.745 153.245 114.487 1.00 30.54 C ATOM 59 H PHE A 8 9.959 153.371 119.890 1.00 0.00 H ATOM 60 N THR A 9 9.450 157.360 120.570 1.00 24.52 N ATOM 61 CA THR A 9 8.836 158.133 121.641 1.00 25.28 C ATOM 62 C THR A 9 8.064 159.321 121.084 1.00 24.08 C ATOM 63 O THR A 9 8.459 159.936 120.086 1.00 26.28 O ATOM 64 CB THR A 9 9.885 158.602 122.616 1.00 29.26 C ATOM 65 OG1 THR A 9 10.822 159.437 121.952 1.00 31.91 O ATOM 66 CG2 THR A 9 10.612 157.414 123.200 1.00 33.70 C ATOM 67 HG1 THR A 9 11.257 158.928 121.223 1.00 0.00 H ATOM 68 H THR A 9 10.164 157.805 119.959 1.00 0.00 H ATOM 69 N CYS A 10 6.953 159.633 121.733 1.00 24.34 N ATOM 70 CA CYS A 10 6.005 160.599 121.209 1.00 23.11 C ATOM 71 C CYS A 10 6.439 162.043 121.488 1.00 26.35 C ATOM 72 O CYS A 10 6.835 162.384 122.607 1.00 28.48 O ATOM 73 CB CYS A 10 4.648 160.292 121.825 1.00 24.98 C ATOM 74 SG CYS A 10 3.286 161.289 121.285 1.00 29.11 S ATOM 75 H CYS A 10 6.754 159.173 122.644 1.00 0.00 H ATOM 76 N ARG A 11 6.357 162.900 120.479 1.00 24.62 N ATOM 77 CA ARG A 11 6.743 164.301 120.608 1.00 24.74 C ATOM 78 C ARG A 11 5.540 165.191 120.842 1.00 25.78 C ATOM 79 O ARG A 11 4.399 164.780 120.607 1.00 28.29 O ATOM 80 CB ARG A 11 7.485 164.750 119.349 1.00 26.67 C ATOM 81 CG ARG A 11 8.830 164.022 119.225 1.00 32.58 C ATOM 82 CD ARG A 11 9.703 164.557 118.130 1.00 32.22 C ATOM 83 NE ARG A 11 9.979 165.969 118.321 1.00 32.13 N ATOM 84 CZ ARG A 11 10.967 166.463 119.058 1.00 30.52 C ATOM 85 NH1 ARG A 11 11.833 165.665 119.691 1.00 33.91 N ATOM 86 NH2 ARG A 11 11.094 167.780 119.162 1.00 37.64 N ATOM 87 HE ARG A 11 9.353 166.648 117.843 1.00 0.00 H ATOM 88 HH12 ARG A 11 12.598 166.077 120.262 1.00 0.00 H ATOM 89 HH11 ARG A 11 11.741 164.632 119.612 1.00 0.00 H ATOM 90 HH22 ARG A 11 11.862 168.185 119.735 1.00 0.00 H ATOM 91 HH21 ARG A 11 10.426 168.407 118.671 1.00 0.00 H ATOM 92 H ARG A 11 6.004 162.561 119.561 1.00 0.00 H ATOM 93 N PRO A 12 5.748 166.430 121.296 1.00 27.37 N ATOM 94 CA PRO A 12 4.600 167.224 121.763 1.00 28.68 C ATOM 95 C PRO A 12 3.586 167.546 120.681 1.00 36.68 C ATOM 96 O PRO A 12 2.406 167.719 121.002 1.00 37.45 O ATOM 97 CB PRO A 12 5.256 168.488 122.325 1.00 30.91 C ATOM 98 CG PRO A 12 6.621 168.032 122.726 1.00 32.30 C ATOM 99 CD PRO A 12 7.032 167.053 121.703 1.00 28.73 C ATOM 100 N ASN A 13 3.996 167.654 119.424 1.00 32.12 N ATOM 101 CA ASN A 13 3.075 168.000 118.351 1.00 35.59 C ATOM 102 C ASN A 13 2.506 166.764 117.668 1.00 38.54 C ATOM 103 O ASN A 13 2.009 166.861 116.538 1.00 38.44 O ATOM 104 CB ASN A 13 3.763 168.912 117.326 1.00 41.19 C ATOM 105 CG ASN A 13 5.036 168.311 116.747 1.00 51.61 C ATOM 106 OD1 ASN A 13 5.691 167.479 117.371 1.00 41.69 O ATOM 107 ND2 ASN A 13 5.398 168.748 115.543 1.00 61.08 N ATOM 108 HD22 ASN A 13 4.815 169.453 115.049 1.00 0.00 H ATOM 109 HD21 ASN A 13 6.264 168.384 115.096 1.00 0.00 H ATOM 110 H ASN A 13 4.998 167.488 119.200 1.00 0.00 H ATOM 111 N SER A 14 2.560 165.613 118.334 1.00 30.74 N ATOM 112 CA SER A 14 2.091 164.355 117.778 1.00 27.87 C ATOM 113 C SER A 14 0.699 164.026 118.297 1.00 28.64 C ATOM 114 O SER A 14 0.335 164.360 119.427 1.00 28.73 O ATOM 115 CB SER A 14 3.041 163.218 118.151 1.00 25.92 C ATOM 116 OG SER A 14 2.644 161.963 117.623 1.00 24.13 O ATOM 117 HG SER A 14 1.746 161.730 117.969 1.00 0.00 H ATOM 118 H SER A 14 2.956 165.614 119.296 1.00 0.00 H ATOM 119 N HIS A 15 -0.047 163.299 117.475 1.00 27.61 N ATOM 120 CA HIS A 15 -1.141 162.505 118.002 1.00 27.81 C ATOM 121 C HIS A 15 -0.570 161.578 119.070 1.00 25.03 C ATOM 122 O HIS A 15 0.478 160.965 118.843 1.00 24.60 O ATOM 123 CB HIS A 15 -1.761 161.709 116.859 1.00 28.21 C ATOM 124 CG HIS A 15 -2.932 160.885 117.264 1.00 30.87 C ATOM 125 ND1 HIS A 15 -4.159 161.438 117.549 1.00 35.21 N ATOM 126 CD2 HIS A 15 -3.077 159.547 117.398 1.00 59.23 C ATOM 127 CE1 HIS A 15 -5.007 160.475 117.864 1.00 42.28 C ATOM 128 NE2 HIS A 15 -4.375 159.318 117.776 1.00 54.09 N ATOM 129 H HIS A 15 0.152 163.298 116.454 1.00 0.00 H ATOM 130 N PRO A 16 -1.166 161.506 120.260 1.00 25.96 N ATOM 131 CA PRO A 16 -0.513 160.785 121.358 1.00 29.96 C ATOM 132 C PRO A 16 -0.385 159.305 121.069 1.00 27.23 C ATOM 133 O PRO A 16 -1.299 158.685 120.517 1.00 29.91 O ATOM 134 CB PRO A 16 -1.450 161.025 122.548 1.00 29.13 C ATOM 135 CG PRO A 16 -2.174 162.268 122.217 1.00 34.37 C ATOM 136 CD PRO A 16 -2.351 162.244 120.717 1.00 27.87 C ATOM 137 N PHE A 17 0.751 158.738 121.464 1.00 25.03 N ATOM 138 CA PHE A 17 0.937 157.298 121.453 1.00 25.62 C ATOM 139 C PHE A 17 1.920 156.913 122.552 1.00 25.98 C ATOM 140 O PHE A 17 2.738 157.728 122.999 1.00 27.23 O ATOM 141 CB PHE A 17 1.431 156.787 120.079 1.00 25.52 C ATOM 142 CG PHE A 17 2.848 157.223 119.685 1.00 22.26 C ATOM 143 CD1 PHE A 17 3.942 156.447 120.040 1.00 21.34 C ATOM 144 CD2 PHE A 17 3.080 158.392 118.953 1.00 22.62 C ATOM 145 CE1 PHE A 17 5.223 156.811 119.699 1.00 21.48 C ATOM 146 CE2 PHE A 17 4.382 158.760 118.584 1.00 23.17 C ATOM 147 CZ PHE A 17 5.454 157.969 118.962 1.00 24.35 C ATOM 148 H PHE A 17 1.530 159.344 121.791 1.00 0.00 H ATOM 149 N GLN A 18 1.815 155.657 122.988 1.00 28.79 N ATOM 150 CA GLN A 18 2.683 155.116 124.030 1.00 28.10 C ATOM 151 C GLN A 18 3.976 154.591 123.430 1.00 25.47 C ATOM 152 O GLN A 18 3.992 154.046 122.318 1.00 26.17 O ATOM 153 CB GLN A 18 1.988 153.991 124.796 1.00 33.45 C ATOM 154 CG GLN A 18 0.675 154.421 125.424 1.00 37.37 C ATOM 155 CD GLN A 18 0.716 154.402 126.930 1.00 84.90 C ATOM 156 OE1 GLN A 18 1.359 155.244 127.557 1.00105.95 O ATOM 157 NE2 GLN A 18 0.027 153.437 127.522 1.00100.51 N ATOM 158 HE22 GLN A 18 -0.501 152.748 126.949 1.00 0.00 H ATOM 159 HE21 GLN A 18 0.014 153.368 128.560 1.00 0.00 H ATOM 160 H GLN A 18 1.089 155.041 122.571 1.00 0.00 H ATOM 161 N GLU A 19 5.064 154.770 124.178 1.00 25.20 N ATOM 162 CA GLU A 19 6.399 154.479 123.684 1.00 22.83 C ATOM 163 C GLU A 19 6.474 153.059 123.137 1.00 22.67 C ATOM 164 O GLU A 19 5.966 152.116 123.743 1.00 25.12 O ATOM 165 CB GLU A 19 7.406 154.668 124.835 1.00 27.12 C ATOM 166 CG GLU A 19 8.821 154.325 124.478 1.00 31.52 C ATOM 167 CD GLU A 19 9.806 154.781 125.551 1.00 50.58 C ATOM 168 OE1 GLU A 19 9.789 155.971 125.925 1.00 70.55 O ATOM 169 OE2 GLU A 19 10.586 153.935 126.015 1.00 41.53 O ATOM 170 H GLU A 19 4.954 155.130 125.148 1.00 0.00 H ATOM 171 N ARG A 20 7.129 152.904 121.982 1.00 23.96 N ATOM 172 CA ARG A 20 7.216 151.617 121.312 1.00 21.31 C ATOM 173 C ARG A 20 8.647 151.096 121.357 1.00 25.17 C ATOM 174 O ARG A 20 9.596 151.840 121.078 1.00 26.03 O ATOM 175 CB ARG A 20 6.769 151.728 119.851 1.00 20.24 C ATOM 176 CG ARG A 20 5.392 152.364 119.712 1.00 23.23 C ATOM 177 CD ARG A 20 4.284 151.604 120.455 1.00 22.70 C ATOM 178 NE ARG A 20 2.973 152.212 120.222 1.00 24.72 N ATOM 179 CZ ARG A 20 2.216 152.004 119.145 1.00 23.83 C ATOM 180 NH1 ARG A 20 2.656 151.206 118.180 1.00 24.52 N ATOM 181 NH2 ARG A 20 1.051 152.620 119.025 1.00 27.78 N ATOM 182 HE ARG A 20 2.605 152.855 120.952 1.00 0.00 H ATOM 183 HH12 ARG A 20 2.071 151.039 117.336 1.00 0.00 H ATOM 184 HH11 ARG A 20 3.586 150.748 118.267 1.00 0.00 H ATOM 185 HH22 ARG A 20 0.461 152.457 118.184 1.00 0.00 H ATOM 186 HH21 ARG A 20 0.726 153.267 119.771 1.00 0.00 H ATOM 187 H ARG A 20 7.590 153.730 121.550 1.00 0.00 H ATOM 188 N HIS A 21 8.798 149.824 121.705 1.00 25.90 N ATOM 189 CA HIS A 21 10.087 149.134 121.649 1.00 22.39 C ATOM 190 C HIS A 21 10.006 148.073 120.556 1.00 24.68 C ATOM 191 O HIS A 21 9.401 147.016 120.749 1.00 26.52 O ATOM 192 CB HIS A 21 10.421 148.528 123.013 1.00 28.50 C ATOM 193 CG HIS A 21 10.806 149.552 124.029 1.00 38.74 C ATOM 194 ND1 HIS A 21 12.056 149.598 124.607 1.00 71.68 N ATOM 195 CD2 HIS A 21 10.111 150.590 124.547 1.00 47.49 C ATOM 196 CE1 HIS A 21 12.107 150.610 125.456 1.00 84.51 C ATOM 197 NE2 HIS A 21 10.938 151.226 125.441 1.00 38.10 N ATOM 198 H HIS A 21 7.964 149.295 122.032 1.00 0.00 H ATOM 199 N VAL A 22 10.641 148.339 119.422 1.00 24.23 N ATOM 200 CA VAL A 22 10.437 147.547 118.216 1.00 26.04 C ATOM 201 C VAL A 22 11.762 146.893 117.859 1.00 25.45 C ATOM 202 O VAL A 22 12.716 147.558 117.435 1.00 25.74 O ATOM 203 CB VAL A 22 9.899 148.408 117.077 1.00 27.23 C ATOM 204 CG1 VAL A 22 9.640 147.573 115.812 1.00 28.47 C ATOM 205 CG2 VAL A 22 8.608 149.110 117.535 1.00 27.70 C ATOM 206 H VAL A 22 11.306 149.138 119.393 1.00 0.00 H ATOM 207 N TYR A 23 11.806 145.584 117.988 1.00 26.79 N ATOM 208 CA TYR A 23 12.994 144.848 117.610 1.00 26.56 C ATOM 209 C TYR A 23 13.001 144.626 116.103 1.00 30.11 C ATOM 210 O TYR A 23 11.960 144.379 115.484 1.00 32.37 O ATOM 211 CB TYR A 23 13.060 143.554 118.434 1.00 39.32 C ATOM 212 CG TYR A 23 13.258 143.895 119.904 1.00 60.21 C ATOM 213 CD1 TYR A 23 14.481 143.713 120.526 1.00 57.92 C ATOM 214 CD2 TYR A 23 12.230 144.478 120.648 1.00 57.08 C ATOM 215 CE1 TYR A 23 14.668 144.066 121.873 1.00 41.69 C ATOM 216 CE2 TYR A 23 12.403 144.837 121.971 1.00 60.99 C ATOM 217 CZ TYR A 23 13.620 144.630 122.582 1.00 58.18 C ATOM 218 OH TYR A 23 13.775 144.995 123.900 1.00 61.24 O ATOM 219 HH TYR A 23 14.697 144.785 124.193 1.00 0.00 H ATOM 220 H TYR A 23 10.981 145.074 118.364 1.00 0.00 H ATOM 221 N LEU A 24 14.176 144.813 115.492 1.00 24.50 N ATOM 222 CA LEU A 24 14.306 144.797 114.043 1.00 24.41 C ATOM 223 C LEU A 24 15.016 143.530 113.573 1.00 30.70 C ATOM 224 O LEU A 24 15.923 143.596 112.745 1.00 37.65 O ATOM 225 CB LEU A 24 15.077 146.019 113.553 1.00 27.95 C ATOM 226 CG LEU A 24 14.446 147.358 113.898 1.00 28.62 C ATOM 227 CD1 LEU A 24 15.381 148.489 113.434 1.00 29.92 C ATOM 228 CD2 LEU A 24 13.058 147.483 113.295 1.00 30.31 C ATOM 229 H LEU A 24 15.024 144.975 116.071 1.00 0.00 H ATOM 230 N ASP A 25 14.588 142.379 114.091 1.00 34.33 N ATOM 231 CA ASP A 25 15.059 141.107 113.555 1.00 36.68 C ATOM 232 C ASP A 25 14.693 140.976 112.085 1.00 39.99 C ATOM 233 O ASP A 25 15.481 140.463 111.281 1.00 41.70 O ATOM 234 CB ASP A 25 14.451 139.943 114.342 1.00 41.13 C ATOM 235 CG ASP A 25 14.406 140.193 115.828 1.00 93.57 C ATOM 236 OD1 ASP A 25 15.414 139.905 116.503 1.00106.92 O ATOM 237 OD2 ASP A 25 13.357 140.661 116.319 1.00 86.68 O ATOM 238 H ASP A 25 13.914 142.388 114.883 1.00 0.00 H ATOM 239 N GLU A 26 13.512 141.450 111.713 1.00 34.63 N ATOM 240 CA GLU A 26 13.099 141.570 110.327 1.00 32.64 C ATOM 241 C GLU A 26 12.575 142.977 110.124 1.00 26.86 C ATOM 242 O GLU A 26 12.325 143.703 111.095 1.00 28.05 O ATOM 243 CB GLU A 26 12.030 140.530 109.964 1.00 39.43 C ATOM 244 CG GLU A 26 10.700 140.703 110.638 1.00 60.89 C ATOM 245 CD GLU A 26 9.690 139.681 110.147 1.00 86.73 C ATOM 246 OE1 GLU A 26 10.112 138.580 109.725 1.00 96.69 O ATOM 247 OE2 GLU A 26 8.478 139.981 110.167 1.00102.61 O ATOM 248 H GLU A 26 12.847 141.752 112.453 1.00 0.00 H ATOM 249 N PRO A 27 12.399 143.401 108.876 1.00 24.48 N ATOM 250 CA PRO A 27 11.858 144.738 108.643 1.00 26.46 C ATOM 251 C PRO A 27 10.462 144.843 109.233 1.00 27.90 C ATOM 252 O PRO A 27 9.676 143.892 109.190 1.00 29.58 O ATOM 253 CB PRO A 27 11.838 144.859 107.116 1.00 29.36 C ATOM 254 CG PRO A 27 12.795 143.849 106.640 1.00 31.45 C ATOM 255 CD PRO A 27 12.716 142.723 107.607 1.00 29.74 C ATOM 256 N ILE A 28 10.156 146.018 109.757 1.00 22.70 N ATOM 257 CA ILE A 28 8.903 146.268 110.461 1.00 24.39 C ATOM 258 C ILE A 28 8.066 147.248 109.667 1.00 21.94 C ATOM 259 O ILE A 28 8.568 148.274 109.180 1.00 23.10 O ATOM 260 CB ILE A 28 9.158 146.786 111.880 1.00 26.91 C ATOM 261 CG1 ILE A 28 9.887 145.704 112.663 1.00 27.97 C ATOM 262 CG2 ILE A 28 7.822 147.209 112.590 1.00 26.15 C ATOM 263 CD1 ILE A 28 9.116 144.368 112.791 1.00 36.83 C ATOM 264 H ILE A 28 10.838 146.797 109.663 1.00 0.00 H ATOM 265 N LYS A 29 6.796 146.894 109.505 1.00 21.79 N ATOM 266 CA LYS A 29 5.825 147.739 108.839 1.00 23.61 C ATOM 267 C LYS A 29 5.316 148.809 109.787 1.00 23.97 C ATOM 268 O LYS A 29 4.828 148.513 110.881 1.00 26.19 O ATOM 269 CB LYS A 29 4.662 146.887 108.325 1.00 27.45 C ATOM 270 CG LYS A 29 3.569 147.705 107.601 1.00 34.36 C ATOM 271 CD LYS A 29 2.207 146.984 107.539 1.00 51.53 C ATOM 272 CE LYS A 29 2.273 145.670 106.783 1.00 86.01 C ATOM 273 NZ LYS A 29 2.671 145.856 105.365 1.00108.98 N ATOM 274 HZ1 LYS A 29 1.978 146.468 104.889 1.00 0.00 H ATOM 275 HZ2 LYS A 29 3.611 146.299 105.325 1.00 0.00 H ATOM 276 HZ3 LYS A 29 2.702 144.931 104.891 1.00 0.00 H ATOM 277 H LYS A 29 6.485 145.972 109.872 1.00 0.00 H ATOM 278 N ILE A 30 5.429 150.041 109.364 1.00 19.62 N ATOM 279 CA ILE A 30 4.783 151.155 110.018 1.00 20.22 C ATOM 280 C ILE A 30 3.463 151.408 109.302 1.00 20.95 C ATOM 281 O ILE A 30 3.444 151.566 108.083 1.00 21.09 O ATOM 282 CB ILE A 30 5.686 152.389 109.970 1.00 20.27 C ATOM 283 CG1 ILE A 30 6.998 152.092 110.728 1.00 22.83 C ATOM 284 CG2 ILE A 30 4.942 153.576 110.538 1.00 22.54 C ATOM 285 CD1 ILE A 30 8.181 152.722 110.114 1.00 27.85 C ATOM 286 H ILE A 30 6.009 150.227 108.521 1.00 0.00 H ATOM 287 N GLY A 31 2.364 151.452 110.046 1.00 21.02 N ATOM 288 CA GLY A 31 1.102 151.697 109.381 1.00 23.53 C ATOM 289 C GLY A 31 -0.047 151.822 110.342 1.00 20.74 C ATOM 290 O GLY A 31 0.106 151.716 111.561 1.00 22.30 O ATOM 291 H GLY A 31 2.409 151.314 111.076 1.00 0.00 H ATOM 292 N ARG A 32 -1.211 152.048 109.759 1.00 21.36 N ATOM 293 CA ARG A 32 -2.406 152.331 110.535 1.00 23.75 C ATOM 294 C ARG A 32 -3.020 151.045 111.069 1.00 23.51 C ATOM 295 O ARG A 32 -3.000 149.996 110.414 1.00 27.79 O ATOM 296 CB ARG A 32 -3.405 153.085 109.660 1.00 24.08 C ATOM 297 CG ARG A 32 -4.658 153.496 110.375 1.00 25.90 C ATOM 298 CD ARG A 32 -5.568 154.270 109.450 1.00 24.46 C ATOM 299 NE ARG A 32 -6.342 153.391 108.581 1.00 27.52 N ATOM 300 CZ ARG A 32 -6.175 153.242 107.272 1.00 26.85 C ATOM 301 NH1 ARG A 32 -5.211 153.869 106.599 1.00 24.77 N ATOM 302 NH2 ARG A 32 -6.973 152.408 106.632 1.00 31.47 N ATOM 303 HE ARG A 32 -7.094 152.829 109.028 1.00 0.00 H ATOM 304 HH12 ARG A 32 -5.114 153.725 105.574 1.00 0.00 H ATOM 305 HH11 ARG A 32 -4.555 154.503 107.099 1.00 0.00 H ATOM 306 HH22 ARG A 32 -6.867 152.270 105.607 1.00 0.00 H ATOM 307 HH21 ARG A 32 -7.708 151.889 107.153 1.00 0.00 H ATOM 308 H ARG A 32 -1.273 152.023 108.721 1.00 0.00 H ATOM 309 N SER A 33 -3.585 151.160 112.279 1.00 26.14 N ATOM 310 CA SER A 33 -4.331 150.092 112.927 1.00 27.20 C ATOM 311 C SER A 33 -5.557 149.677 112.114 1.00 29.91 C ATOM 312 O SER A 33 -6.296 150.519 111.624 1.00 29.39 O ATOM 313 CB SER A 33 -4.756 150.591 114.314 1.00 28.21 C ATOM 314 OG SER A 33 -5.602 149.671 114.967 1.00 50.01 O ATOM 315 HG SER A 33 -5.853 150.028 115.855 1.00 0.00 H ATOM 316 H SER A 33 -3.484 152.064 112.783 1.00 0.00 H ATOM 317 N VAL A 34 -5.754 148.358 111.996 1.00 35.36 N ATOM 318 CA VAL A 34 -6.941 147.740 111.417 1.00 60.69 C ATOM 319 C VAL A 34 -7.121 146.411 112.137 1.00 50.83 C ATOM 320 O VAL A 34 -6.169 145.846 112.683 1.00 62.63 O ATOM 321 CB VAL A 34 -6.818 147.533 109.888 1.00 78.71 C ATOM 322 CG1 VAL A 34 -6.970 148.855 109.170 1.00 54.62 C ATOM 323 CG2 VAL A 34 -5.483 146.886 109.539 1.00 88.59 C ATOM 324 H VAL A 34 -5.004 147.727 112.343 1.00 0.00 H ATOM 325 N ALA A 35 -8.362 145.919 112.168 1.00 48.01 N ATOM 326 CA ALA A 35 -8.673 144.758 113.001 1.00 49.49 C ATOM 327 C ALA A 35 -7.629 143.649 112.879 1.00 78.90 C ATOM 328 O ALA A 35 -7.425 142.891 113.833 1.00 72.31 O ATOM 329 CB ALA A 35 -10.051 144.213 112.641 1.00 61.47 C ATOM 330 H ALA A 35 -9.110 146.363 111.598 1.00 0.00 H ATOM 331 N ARG A 36 -6.954 143.540 111.723 1.00 95.54 N ATOM 332 CA ARG A 36 -5.930 142.507 111.545 1.00 99.44 C ATOM 333 C ARG A 36 -4.609 142.865 112.233 1.00 91.88 C ATOM 334 O ARG A 36 -3.852 141.964 112.616 1.00 85.07 O ATOM 335 CB ARG A 36 -5.696 142.216 110.046 1.00106.70 C ATOM 336 CG ARG A 36 -5.519 143.424 109.106 1.00 98.56 C ATOM 337 CD ARG A 36 -5.390 142.992 107.627 1.00 95.22 C ATOM 338 NE ARG A 36 -4.082 142.426 107.291 1.00 98.86 N ATOM 339 CZ ARG A 36 -3.729 142.018 106.072 1.00105.35 C ATOM 340 NH1 ARG A 36 -4.579 142.111 105.058 1.00 91.81 N ATOM 341 NH2 ARG A 36 -2.518 141.514 105.863 1.00108.73 N ATOM 342 HE ARG A 36 -3.382 142.336 108.054 1.00 0.00 H ATOM 343 HH12 ARG A 36 -4.295 141.790 104.110 1.00 0.00 H ATOM 344 HH11 ARG A 36 -5.529 142.505 105.211 1.00 0.00 H ATOM 345 HH22 ARG A 36 -2.244 141.196 104.911 1.00 0.00 H ATOM 346 HH21 ARG A 36 -1.844 141.437 106.651 1.00 0.00 H ATOM 347 H ARG A 36 -7.161 144.197 110.944 1.00 0.00 H ATOM 348 N CYS A 37 -4.315 144.152 112.414 1.00 82.48 N ATOM 349 CA CYS A 37 -3.129 144.570 113.154 1.00 64.41 C ATOM 350 C CYS A 37 -3.519 145.722 114.071 1.00 44.09 C ATOM 351 O CYS A 37 -3.988 146.759 113.595 1.00 45.90 O ATOM 352 CB CYS A 37 -2.002 144.980 112.197 1.00106.48 C ATOM 353 SG CYS A 37 -0.344 144.881 112.922 1.00140.26 S ATOM 354 H CYS A 37 -4.947 144.877 112.018 1.00 0.00 H ATOM 355 N ARG A 38 -3.368 145.538 115.376 1.00 40.18 N ATOM 356 CA ARG A 38 -3.662 146.614 116.311 1.00 33.89 C ATOM 357 C ARG A 38 -2.379 147.150 116.916 1.00 29.23 C ATOM 358 O ARG A 38 -1.342 146.477 116.901 1.00 32.19 O ATOM 359 CB ARG A 38 -4.596 146.156 117.442 1.00 38.71 C ATOM 360 CG ARG A 38 -5.917 145.614 116.953 1.00 46.93 C ATOM 361 CD ARG A 38 -6.686 146.601 116.055 1.00 66.74 C ATOM 362 NE ARG A 38 -7.564 147.493 116.806 1.00 95.62 N ATOM 363 CZ ARG A 38 -8.272 148.479 116.261 1.00 89.41 C ATOM 364 NH1 ARG A 38 -9.052 149.233 117.028 1.00 88.66 N ATOM 365 NH2 ARG A 38 -8.200 148.715 114.952 1.00 59.62 N ATOM 366 HE ARG A 38 -7.641 147.349 117.833 1.00 0.00 H ATOM 367 HH12 ARG A 38 -9.607 150.005 116.606 1.00 0.00 H ATOM 368 HH11 ARG A 38 -9.108 149.052 118.051 1.00 0.00 H ATOM 369 HH22 ARG A 38 -8.756 149.487 114.531 1.00 0.00 H ATOM 370 HH21 ARG A 38 -7.588 148.127 114.351 1.00 0.00 H ATOM 371 H ARG A 38 -3.037 144.619 115.733 1.00 0.00 H ATOM 372 N PRO A 39 -2.410 148.374 117.447 1.00 28.78 N ATOM 373 CA PRO A 39 -1.225 148.904 118.121 1.00 27.05 C ATOM 374 C PRO A 39 -0.808 148.009 119.273 1.00 26.43 C ATOM 375 O PRO A 39 -1.648 147.456 119.991 1.00 29.20 O ATOM 376 CB PRO A 39 -1.681 150.276 118.627 1.00 26.95 C ATOM 377 CG PRO A 39 -2.852 150.634 117.786 1.00 31.58 C ATOM 378 CD PRO A 39 -3.536 149.319 117.528 1.00 30.78 C ATOM 379 N ALA A 40 0.503 147.864 119.435 1.00 26.11 N ATOM 380 CA ALA A 40 1.067 147.221 120.614 1.00 26.78 C ATOM 381 C ALA A 40 2.349 147.941 121.016 1.00 25.24 C ATOM 382 O ALA A 40 2.999 148.612 120.208 1.00 26.56 O ATOM 383 CB ALA A 40 1.366 145.740 120.371 1.00 28.27 C ATOM 384 H ALA A 40 1.145 148.220 118.698 1.00 0.00 H ATOM 385 N GLN A 41 2.719 147.766 122.284 1.00 27.70 N ATOM 386 CA GLN A 41 3.928 148.387 122.783 1.00 25.31 C ATOM 387 C GLN A 41 5.156 147.959 121.995 1.00 24.93 C ATOM 388 O GLN A 41 6.146 148.693 121.965 1.00 26.98 O ATOM 389 CB GLN A 41 4.097 148.065 124.264 1.00 29.37 C ATOM 390 CG GLN A 41 5.372 148.627 124.873 1.00 30.24 C ATOM 391 CD GLN A 41 6.502 147.628 124.912 1.00 33.66 C ATOM 392 OE1 GLN A 41 6.402 146.526 124.376 1.00 27.98 O ATOM 393 NE2 GLN A 41 7.579 147.997 125.582 1.00 34.79 N ATOM 394 HE22 GLN A 41 7.621 148.939 126.020 1.00 0.00 H ATOM 395 HE21 GLN A 41 8.384 147.345 125.671 1.00 0.00 H ATOM 396 H GLN A 41 2.137 147.181 122.918 1.00 0.00 H ATOM 397 N ASN A 42 5.118 146.798 121.341 1.00 25.21 N ATOM 398 CA ASN A 42 6.293 146.299 120.642 1.00 23.18 C ATOM 399 C ASN A 42 6.093 146.271 119.141 1.00 23.38 C ATOM 400 O ASN A 42 6.779 145.508 118.453 1.00 26.36 O ATOM 401 CB ASN A 42 6.679 144.910 121.161 1.00 27.34 C ATOM 402 CG ASN A 42 5.579 143.880 120.989 1.00 29.93 C ATOM 403 OD1 ASN A 42 4.570 144.108 120.323 1.00 27.69 O ATOM 404 ND2 ASN A 42 5.779 142.714 121.612 1.00 36.85 N ATOM 405 HD22 ASN A 42 6.646 142.562 122.165 1.00 0.00 H ATOM 406 HD21 ASN A 42 5.067 141.959 121.543 1.00 0.00 H ATOM 407 H ASN A 42 4.239 146.243 121.330 1.00 0.00 H ATOM 408 N ASN A 43 5.181 147.097 118.617 1.00 23.22 N ATOM 409 CA ASN A 43 5.078 147.261 117.165 1.00 21.36 C ATOM 410 C ASN A 43 4.980 148.742 116.796 1.00 22.32 C ATOM 411 O ASN A 43 5.038 149.633 117.645 1.00 22.24 O ATOM 412 CB ASN A 43 3.929 146.425 116.579 1.00 23.63 C ATOM 413 CG ASN A 43 2.522 146.963 116.878 1.00 25.93 C ATOM 414 OD1 ASN A 43 2.292 148.153 117.053 1.00 24.05 O ATOM 415 ND2 ASN A 43 1.547 146.043 116.866 1.00 28.60 N ATOM 416 HD22 ASN A 43 1.780 145.041 116.714 1.00 0.00 H ATOM 417 HD21 ASN A 43 0.558 146.332 117.008 1.00 0.00 H ATOM 418 H ASN A 43 4.541 147.626 119.244 1.00 0.00 H ATOM 419 N ALA A 44 4.948 149.008 115.490 1.00 22.67 N ATOM 420 CA ALA A 44 4.876 150.368 114.969 1.00 22.05 C ATOM 421 C ALA A 44 3.576 150.560 114.188 1.00 20.69 C ATOM 422 O ALA A 44 3.526 151.163 113.103 1.00 21.84 O ATOM 423 CB ALA A 44 6.116 150.699 114.132 1.00 24.22 C ATOM 424 H ALA A 44 4.975 148.215 114.817 1.00 0.00 H ATOM 425 N THR A 45 2.502 150.011 114.745 1.00 21.18 N ATOM 426 CA THR A 45 1.160 150.186 114.235 1.00 22.40 C ATOM 427 C THR A 45 0.449 151.207 115.098 1.00 22.49 C ATOM 428 O THR A 45 0.446 151.082 116.324 1.00 23.37 O ATOM 429 CB THR A 45 0.424 148.853 114.247 1.00 24.03 C ATOM 430 OG1 THR A 45 1.150 147.933 113.414 1.00 27.13 O ATOM 431 CG2 THR A 45 -0.969 149.006 113.735 1.00 26.41 C ATOM 432 HG1 THR A 45 1.195 148.290 112.492 1.00 0.00 H ATOM 433 H THR A 45 2.633 149.424 115.593 1.00 0.00 H ATOM 434 N PHE A 46 -0.195 152.178 114.465 1.00 23.04 N ATOM 435 CA PHE A 46 -0.744 153.323 115.182 1.00 24.16 C ATOM 436 C PHE A 46 -2.211 153.533 114.847 1.00 24.53 C ATOM 437 O PHE A 46 -2.607 153.490 113.675 1.00 26.16 O ATOM 438 CB PHE A 46 0.015 154.589 114.839 1.00 24.78 C ATOM 439 CG PHE A 46 1.462 154.549 115.226 1.00 24.54 C ATOM 440 CD1 PHE A 46 1.851 154.883 116.500 1.00 22.09 C ATOM 441 CD2 PHE A 46 2.427 154.143 114.320 1.00 23.89 C ATOM 442 CE1 PHE A 46 3.192 154.846 116.861 1.00 24.08 C ATOM 443 CE2 PHE A 46 3.772 154.114 114.667 1.00 22.91 C ATOM 444 CZ PHE A 46 4.157 154.466 115.936 1.00 26.36 C ATOM 445 H PHE A 46 -0.311 152.122 113.433 1.00 0.00 H ATOM 446 N ASP A 47 -3.000 153.832 115.872 1.00 26.15 N ATOM 447 CA ASP A 47 -4.405 154.191 115.683 1.00 28.36 C ATOM 448 C ASP A 47 -4.453 155.680 115.349 1.00 31.58 C ATOM 449 O ASP A 47 -4.779 156.533 116.170 1.00 34.43 O ATOM 450 CB ASP A 47 -5.216 153.831 116.923 1.00 30.44 C ATOM 451 CG ASP A 47 -6.660 154.217 116.809 1.00 50.95 C ATOM 452 OD1 ASP A 47 -7.272 154.433 117.877 1.00 56.49 O ATOM 453 OD2 ASP A 47 -7.182 154.289 115.676 1.00 49.51 O ATOM 454 H ASP A 47 -2.608 153.810 116.835 1.00 0.00 H ATOM 455 N CYS A 48 -4.148 155.978 114.087 1.00 26.54 N ATOM 456 CA CYS A 48 -3.987 157.339 113.597 1.00 24.81 C ATOM 457 C CYS A 48 -4.492 157.364 112.165 1.00 24.29 C ATOM 458 O CYS A 48 -3.906 156.695 111.318 1.00 27.23 O ATOM 459 CB CYS A 48 -2.522 157.751 113.665 1.00 28.74 C ATOM 460 SG CYS A 48 -2.236 159.416 113.079 1.00 32.07 S ATOM 461 H CYS A 48 -4.018 155.195 113.415 1.00 0.00 H ATOM 462 N LYS A 49 -5.557 158.127 111.903 1.00 25.72 N ATOM 463 CA LYS A 49 -6.288 157.976 110.644 1.00 25.63 C ATOM 464 C LYS A 49 -5.523 158.494 109.441 1.00 28.30 C ATOM 465 O LYS A 49 -5.829 158.079 108.326 1.00 26.66 O ATOM 466 CB LYS A 49 -7.641 158.675 110.723 1.00 30.12 C ATOM 467 CG LYS A 49 -8.609 157.997 111.690 1.00 37.82 C ATOM 468 CD LYS A 49 -9.979 158.674 111.657 1.00 57.99 C ATOM 469 CE LYS A 49 -10.904 158.137 112.727 1.00100.77 C ATOM 470 NZ LYS A 49 -11.322 156.743 112.448 1.00132.33 N ATOM 471 HZ1 LYS A 49 -11.822 156.708 111.537 1.00 0.00 H ATOM 472 HZ2 LYS A 49 -10.481 156.132 112.407 1.00 0.00 H ATOM 473 HZ3 LYS A 49 -11.955 156.414 113.205 1.00 0.00 H ATOM 474 H LYS A 49 -5.869 158.834 112.599 1.00 0.00 H ATOM 475 N VAL A 50 -4.531 159.371 109.623 1.00 25.09 N ATOM 476 CA VAL A 50 -3.811 159.923 108.486 1.00 25.31 C ATOM 477 C VAL A 50 -2.619 159.071 108.090 1.00 26.53 C ATOM 478 O VAL A 50 -1.936 159.403 107.117 1.00 25.44 O ATOM 479 CB VAL A 50 -3.327 161.363 108.746 1.00 26.96 C ATOM 480 CG1 VAL A 50 -4.507 162.262 109.019 1.00 33.27 C ATOM 481 CG2 VAL A 50 -2.305 161.395 109.929 1.00 27.02 C ATOM 482 H VAL A 50 -4.271 159.662 110.587 1.00 0.00 H ATOM 483 N LEU A 51 -2.366 157.972 108.792 1.00 24.64 N ATOM 484 CA LEU A 51 -1.337 157.015 108.411 1.00 22.42 C ATOM 485 C LEU A 51 -1.918 156.035 107.408 1.00 22.64 C ATOM 486 O LEU A 51 -3.070 155.606 107.531 1.00 24.65 O ATOM 487 CB LEU A 51 -0.832 156.224 109.621 1.00 28.66 C ATOM 488 CG LEU A 51 0.356 156.721 110.437 1.00 46.55 C ATOM 489 CD1 LEU A 51 1.633 156.332 109.765 1.00 80.06 C ATOM 490 CD2 LEU A 51 0.240 158.234 110.722 1.00 29.54 C ATOM 491 H LEU A 51 -2.926 157.788 109.649 1.00 0.00 H ATOM 492 N SER A 52 -1.104 155.667 106.431 1.00 21.90 N ATOM 493 CA SER A 52 -1.508 154.671 105.462 1.00 22.38 C ATOM 494 C SER A 52 -1.466 153.280 106.079 1.00 20.68 C ATOM 495 O SER A 52 -0.760 153.027 107.067 1.00 21.66 O ATOM 496 CB SER A 52 -0.591 154.735 104.236 1.00 22.23 C ATOM 497 OG SER A 52 -0.811 155.956 103.539 1.00 23.48 O ATOM 498 HG SER A 52 -1.756 156.002 103.247 1.00 0.00 H ATOM 499 H SER A 52 -0.161 156.100 106.359 1.00 0.00 H ATOM 500 N ARG A 53 -2.251 152.368 105.503 1.00 20.32 N ATOM 501 CA ARG A 53 -2.201 150.978 105.956 1.00 23.02 C ATOM 502 C ARG A 53 -0.780 150.444 105.868 1.00 21.33 C ATOM 503 O ARG A 53 -0.268 149.805 106.803 1.00 24.10 O ATOM 504 CB ARG A 53 -3.166 150.116 105.119 1.00 24.55 C ATOM 505 CG ARG A 53 -3.238 148.655 105.556 1.00 30.85 C ATOM 506 CD ARG A 53 -3.969 147.742 104.568 1.00 32.63 C ATOM 507 NE ARG A 53 -5.403 148.000 104.393 1.00 37.54 N ATOM 508 CZ ARG A 53 -6.386 147.351 105.021 1.00 45.36 C ATOM 509 NH1 ARG A 53 -6.116 146.412 105.920 1.00 72.57 N ATOM 510 NH2 ARG A 53 -7.647 147.652 104.753 1.00 46.06 N ATOM 511 HE ARG A 53 -5.676 148.749 103.725 1.00 0.00 H ATOM 512 HH12 ARG A 53 -6.892 145.915 106.401 1.00 0.00 H ATOM 513 HH11 ARG A 53 -5.128 146.174 106.143 1.00 0.00 H ATOM 514 HH22 ARG A 53 -8.416 147.149 105.240 1.00 0.00 H ATOM 515 HH21 ARG A 53 -7.868 148.391 104.056 1.00 0.00 H ATOM 516 H ARG A 53 -2.896 152.644 104.735 1.00 0.00 H ATOM 517 N ASN A 54 -0.147 150.620 104.705 1.00 20.07 N ATOM 518 CA ASN A 54 1.236 150.249 104.479 1.00 20.74 C ATOM 519 C ASN A 54 2.018 151.539 104.277 1.00 21.80 C ATOM 520 O ASN A 54 2.300 151.943 103.150 1.00 23.43 O ATOM 521 CB ASN A 54 1.346 149.333 103.246 1.00 23.37 C ATOM 522 CG ASN A 54 0.563 148.043 103.416 1.00 24.37 C ATOM 523 OD1 ASN A 54 0.893 147.245 104.283 1.00 34.01 O ATOM 524 ND2 ASN A 54 -0.403 147.796 102.537 1.00 29.98 N ATOM 525 HD22 ASN A 54 -0.647 148.507 101.818 1.00 0.00 H ATOM 526 HD21 ASN A 54 -0.915 146.891 102.568 1.00 0.00 H ATOM 527 H ASN A 54 -0.676 151.047 103.918 1.00 0.00 H ATOM 528 N HIS A 55 2.414 152.168 105.374 1.00 18.86 N ATOM 529 CA HIS A 55 2.946 153.519 105.305 1.00 19.25 C ATOM 530 C HIS A 55 4.447 153.559 105.032 1.00 20.01 C ATOM 531 O HIS A 55 4.919 154.288 104.142 1.00 19.92 O ATOM 532 CB HIS A 55 2.620 154.261 106.604 1.00 19.51 C ATOM 533 CG HIS A 55 2.797 155.736 106.469 1.00 18.87 C ATOM 534 ND1 HIS A 55 1.735 156.604 106.378 1.00 21.35 N ATOM 535 CD2 HIS A 55 3.919 156.489 106.342 1.00 20.85 C ATOM 536 CE1 HIS A 55 2.193 157.838 106.236 1.00 22.96 C ATOM 537 NE2 HIS A 55 3.514 157.796 106.219 1.00 20.69 N ATOM 538 H HIS A 55 2.343 151.690 106.295 1.00 0.00 H ATOM 539 N ALA A 56 5.214 152.750 105.752 1.00 18.36 N ATOM 540 CA ALA A 56 6.663 152.767 105.628 1.00 19.02 C ATOM 541 C ALA A 56 7.210 151.452 106.174 1.00 19.06 C ATOM 542 O ALA A 56 6.476 150.634 106.739 1.00 20.13 O ATOM 543 CB ALA A 56 7.267 153.976 106.363 1.00 20.10 C ATOM 544 H ALA A 56 4.769 152.089 106.420 1.00 0.00 H ATOM 545 N LEU A 57 8.506 151.241 105.941 1.00 20.82 N ATOM 546 CA LEU A 57 9.272 150.101 106.445 1.00 20.30 C ATOM 547 C LEU A 57 10.475 150.652 107.189 1.00 18.52 C ATOM 548 O LEU A 57 11.098 151.629 106.738 1.00 20.69 O ATOM 549 CB LEU A 57 9.808 149.226 105.313 1.00 24.50 C ATOM 550 CG LEU A 57 9.288 147.863 104.863 1.00 39.31 C ATOM 551 CD1 LEU A 57 7.980 147.463 105.427 1.00 27.59 C ATOM 552 CD2 LEU A 57 9.293 147.773 103.301 1.00 25.45 C ATOM 553 H LEU A 57 9.010 151.939 105.357 1.00 0.00 H ATOM 554 N VAL A 58 10.833 150.008 108.310 1.00 19.56 N ATOM 555 CA VAL A 58 12.034 150.363 109.044 1.00 18.98 C ATOM 556 C VAL A 58 12.825 149.088 109.270 1.00 20.47 C ATOM 557 O VAL A 58 12.245 148.041 109.574 1.00 21.11 O ATOM 558 CB VAL A 58 11.722 151.083 110.381 1.00 22.00 C ATOM 559 CG1 VAL A 58 10.850 150.246 111.298 1.00 27.08 C ATOM 560 CG2 VAL A 58 13.013 151.460 111.089 1.00 24.55 C ATOM 561 H VAL A 58 10.234 149.234 108.662 1.00 0.00 H ATOM 562 N TRP A 59 14.137 149.153 109.054 1.00 20.52 N ATOM 563 CA TRP A 59 14.956 147.952 109.216 1.00 21.23 C ATOM 564 C TRP A 59 16.406 148.316 109.479 1.00 21.82 C ATOM 565 O TRP A 59 16.823 149.463 109.349 1.00 21.65 O ATOM 566 CB TRP A 59 14.867 147.026 107.997 1.00 20.84 C ATOM 567 CG TRP A 59 15.544 147.474 106.765 1.00 20.65 C ATOM 568 CD1 TRP A 59 16.722 146.998 106.272 1.00 21.00 C ATOM 569 CD2 TRP A 59 15.063 148.443 105.810 1.00 20.76 C ATOM 570 NE1 TRP A 59 17.012 147.604 105.043 1.00 23.86 N ATOM 571 CE2 TRP A 59 16.013 148.503 104.754 1.00 23.02 C ATOM 572 CE3 TRP A 59 13.931 149.262 105.751 1.00 23.34 C ATOM 573 CZ2 TRP A 59 15.849 149.345 103.643 1.00 24.61 C ATOM 574 CZ3 TRP A 59 13.773 150.102 104.658 1.00 23.45 C ATOM 575 CH2 TRP A 59 14.724 150.140 103.619 1.00 23.62 C ATOM 576 HE1 TRP A 59 17.843 147.407 104.449 1.00 0.00 H ATOM 577 H TRP A 59 14.577 150.052 108.772 1.00 0.00 H ATOM 578 N PHE A 60 17.161 147.301 109.880 1.00 20.03 N ATOM 579 CA PHE A 60 18.590 147.403 110.099 1.00 19.74 C ATOM 580 C PHE A 60 19.318 146.586 109.048 1.00 21.38 C ATOM 581 O PHE A 60 18.970 145.426 108.805 1.00 23.26 O ATOM 582 CB PHE A 60 18.967 146.894 111.498 1.00 21.26 C ATOM 583 CG PHE A 60 20.416 146.911 111.748 1.00 20.55 C ATOM 584 CD1 PHE A 60 21.073 148.114 111.944 1.00 23.29 C ATOM 585 CD2 PHE A 60 21.143 145.737 111.759 1.00 22.99 C ATOM 586 CE1 PHE A 60 22.429 148.153 112.147 1.00 22.58 C ATOM 587 CE2 PHE A 60 22.519 145.762 111.958 1.00 25.04 C ATOM 588 CZ PHE A 60 23.162 146.985 112.142 1.00 22.00 C ATOM 589 H PHE A 60 16.702 146.382 110.046 1.00 0.00 H ATOM 590 N ASP A 61 20.330 147.189 108.431 1.00 23.54 N ATOM 591 CA ASP A 61 21.108 146.559 107.371 1.00 27.26 C ATOM 592 C ASP A 61 22.467 146.158 107.931 1.00 23.26 C ATOM 593 O ASP A 61 23.296 147.013 108.261 1.00 24.58 O ATOM 594 CB ASP A 61 21.232 147.517 106.196 1.00 24.55 C ATOM 595 CG ASP A 61 21.993 146.911 105.041 1.00 26.73 C ATOM 596 OD1 ASP A 61 23.193 147.102 104.966 1.00 31.96 O ATOM 597 OD2 ASP A 61 21.363 146.242 104.202 1.00 35.42 O ATOM 598 H ASP A 61 20.579 148.157 108.719 1.00 0.00 H ATOM 599 N HIS A 62 22.702 144.847 108.029 1.00 26.19 N ATOM 600 CA HIS A 62 23.926 144.348 108.623 1.00 26.94 C ATOM 601 C HIS A 62 25.158 144.705 107.801 1.00 25.69 C ATOM 602 O HIS A 62 26.232 144.924 108.368 1.00 29.33 O ATOM 603 CB HIS A 62 23.826 142.834 108.807 1.00 38.83 C ATOM 604 CG HIS A 62 22.902 142.429 109.913 1.00 78.29 C ATOM 605 ND1 HIS A 62 21.598 142.038 109.692 1.00 90.97 N ATOM 606 CD2 HIS A 62 23.086 142.381 111.253 1.00 71.58 C ATOM 607 CE1 HIS A 62 21.025 141.753 110.848 1.00 82.56 C ATOM 608 NE2 HIS A 62 21.906 141.954 111.810 1.00 74.12 N ATOM 609 H HIS A 62 21.995 144.173 107.673 1.00 0.00 H ATOM 610 N LYS A 63 25.024 144.792 106.476 1.00 25.70 N ATOM 611 CA LYS A 63 26.189 145.082 105.650 1.00 26.87 C ATOM 612 C LYS A 63 26.719 146.489 105.898 1.00 23.61 C ATOM 613 O LYS A 63 27.937 146.687 106.007 1.00 25.87 O ATOM 614 CB LYS A 63 25.847 144.886 104.168 1.00 26.65 C ATOM 615 CG LYS A 63 27.007 145.121 103.217 1.00 29.04 C ATOM 616 CD LYS A 63 27.000 146.534 102.637 1.00 27.02 C ATOM 617 CE LYS A 63 28.047 146.666 101.567 1.00 33.10 C ATOM 618 NZ LYS A 63 28.159 148.040 101.037 1.00 31.70 N ATOM 619 HZ1 LYS A 63 27.248 148.327 100.626 1.00 0.00 H ATOM 620 HZ2 LYS A 63 28.412 148.689 101.810 1.00 0.00 H ATOM 621 HZ3 LYS A 63 28.896 148.068 100.304 1.00 0.00 H ATOM 622 H LYS A 63 24.092 144.653 106.035 1.00 0.00 H ATOM 623 N THR A 64 25.833 147.484 105.924 1.00 25.30 N ATOM 624 CA THR A 64 26.259 148.871 106.116 1.00 23.15 C ATOM 625 C THR A 64 26.330 149.259 107.580 1.00 25.74 C ATOM 626 O THR A 64 26.974 150.256 107.910 1.00 27.96 O ATOM 627 CB THR A 64 25.304 149.865 105.429 1.00 24.35 C ATOM 628 OG1 THR A 64 24.008 149.734 105.992 1.00 23.79 O ATOM 629 CG2 THR A 64 25.247 149.648 103.892 1.00 27.55 C ATOM 630 HG1 THR A 64 23.681 148.810 105.854 1.00 0.00 H ATOM 631 H THR A 64 24.822 147.271 105.806 1.00 0.00 H ATOM 632 N GLY A 65 25.675 148.504 108.449 1.00 24.00 N ATOM 633 CA GLY A 65 25.566 148.885 109.845 1.00 23.01 C ATOM 634 C GLY A 65 24.664 150.073 110.078 1.00 26.31 C ATOM 635 O GLY A 65 24.761 150.742 111.115 1.00 25.18 O ATOM 636 H GLY A 65 25.230 147.621 108.125 1.00 0.00 H ATOM 637 N LYS A 66 23.784 150.358 109.130 1.00 23.57 N ATOM 638 CA LYS A 66 22.907 151.506 109.196 1.00 21.87 C ATOM 639 C LYS A 66 21.447 151.085 109.297 1.00 21.25 C ATOM 640 O LYS A 66 21.055 149.982 108.896 1.00 23.28 O ATOM 641 CB LYS A 66 23.108 152.395 107.972 1.00 26.28 C ATOM 642 CG LYS A 66 24.548 152.884 107.856 1.00 31.14 C ATOM 643 CD LYS A 66 24.770 153.762 106.659 1.00 40.92 C ATOM 644 CE LYS A 66 26.141 154.408 106.796 1.00 75.16 C ATOM 645 NZ LYS A 66 26.664 154.937 105.535 1.00 74.46 N ATOM 646 HZ1 LYS A 66 26.750 154.163 104.845 1.00 0.00 H ATOM 647 HZ2 LYS A 66 26.013 155.660 105.167 1.00 0.00 H ATOM 648 HZ3 LYS A 66 27.599 155.362 105.700 1.00 0.00 H ATOM 649 H LYS A 66 23.721 149.730 108.304 1.00 0.00 H ATOM 650 N PHE A 67 20.653 151.993 109.856 1.00 22.05 N ATOM 651 CA PHE A 67 19.201 151.859 109.931 1.00 22.47 C ATOM 652 C PHE A 67 18.555 152.661 108.812 1.00 19.47 C ATOM 653 O PHE A 67 19.027 153.748 108.453 1.00 21.72 O ATOM 654 CB PHE A 67 18.651 152.373 111.257 1.00 20.80 C ATOM 655 CG PHE A 67 19.084 151.589 112.458 1.00 22.60 C ATOM 656 CD1 PHE A 67 18.250 150.651 113.039 1.00 24.83 C ATOM 657 CD2 PHE A 67 20.325 151.821 112.994 1.00 24.31 C ATOM 658 CE1 PHE A 67 18.665 149.963 114.188 1.00 28.42 C ATOM 659 CE2 PHE A 67 20.743 151.126 114.147 1.00 30.17 C ATOM 660 CZ PHE A 67 19.917 150.204 114.705 1.00 25.65 C ATOM 661 H PHE A 67 21.090 152.845 110.262 1.00 0.00 H ATOM 662 N TYR A 68 17.481 152.110 108.246 1.00 21.18 N ATOM 663 CA TYR A 68 16.807 152.749 107.122 1.00 21.04 C ATOM 664 C TYR A 68 15.303 152.834 107.354 1.00 22.36 C ATOM 665 O TYR A 68 14.680 151.967 107.976 1.00 21.27 O ATOM 666 CB TYR A 68 17.066 151.997 105.817 1.00 21.09 C ATOM 667 CG TYR A 68 18.504 152.034 105.400 1.00 21.14 C ATOM 668 CD1 TYR A 68 19.018 153.105 104.728 1.00 22.83 C ATOM 669 CD2 TYR A 68 19.349 150.991 105.740 1.00 26.98 C ATOM 670 CE1 TYR A 68 20.337 153.128 104.338 1.00 25.76 C ATOM 671 CE2 TYR A 68 20.664 150.998 105.376 1.00 30.52 C ATOM 672 CZ TYR A 68 21.161 152.066 104.669 1.00 29.44 C ATOM 673 OH TYR A 68 22.503 152.079 104.330 1.00 36.02 O ATOM 674 HH TYR A 68 22.707 152.907 103.827 1.00 0.00 H ATOM 675 H TYR A 68 17.117 151.208 108.613 1.00 0.00 H ATOM 676 N LEU A 69 14.733 153.893 106.788 1.00 21.47 N ATOM 677 CA LEU A 69 13.304 154.107 106.700 1.00 18.32 C ATOM 678 C LEU A 69 12.949 154.252 105.232 1.00 21.11 C ATOM 679 O LEU A 69 13.686 154.892 104.481 1.00 22.74 O ATOM 680 CB LEU A 69 12.927 155.362 107.448 1.00 23.68 C ATOM 681 CG LEU A 69 11.473 155.742 107.601 1.00 22.29 C ATOM 682 CD1 LEU A 69 10.684 154.692 108.340 1.00 25.11 C ATOM 683 CD2 LEU A 69 11.429 157.089 108.336 1.00 22.27 C ATOM 684 H LEU A 69 15.357 154.618 106.380 1.00 0.00 H ATOM 685 N GLN A 70 11.845 153.646 104.819 1.00 19.57 N ATOM 686 CA GLN A 70 11.427 153.747 103.424 1.00 21.18 C ATOM 687 C GLN A 70 9.934 153.996 103.398 1.00 20.33 C ATOM 688 O GLN A 70 9.184 153.219 103.988 1.00 22.76 O ATOM 689 CB GLN A 70 11.754 152.466 102.671 1.00 20.43 C ATOM 690 CG GLN A 70 11.362 152.464 101.224 1.00 22.10 C ATOM 691 CD GLN A 70 11.865 151.240 100.528 1.00 28.10 C ATOM 692 OE1 GLN A 70 11.778 150.139 101.064 1.00 27.22 O ATOM 693 NE2 GLN A 70 12.404 151.413 99.329 1.00 27.23 N ATOM 694 HE22 GLN A 70 12.456 152.366 98.915 1.00 0.00 H ATOM 695 HE21 GLN A 70 12.775 150.596 98.803 1.00 0.00 H ATOM 696 H GLN A 70 11.274 153.096 105.492 1.00 0.00 H ATOM 697 N ASP A 71 9.511 155.037 102.673 1.00 21.08 N ATOM 698 CA ASP A 71 8.099 155.297 102.459 1.00 21.05 C ATOM 699 C ASP A 71 7.572 154.383 101.359 1.00 22.42 C ATOM 700 O ASP A 71 8.155 154.319 100.272 1.00 22.89 O ATOM 701 CB ASP A 71 7.897 156.762 102.090 1.00 23.01 C ATOM 702 CG ASP A 71 6.434 157.126 101.924 1.00 25.81 C ATOM 703 OD1 ASP A 71 5.740 156.484 101.076 1.00 24.58 O ATOM 704 OD2 ASP A 71 5.976 158.041 102.656 1.00 25.25 O ATOM 705 H ASP A 71 10.213 155.678 102.251 1.00 0.00 H ATOM 706 N THR A 72 6.499 153.639 101.655 1.00 21.17 N ATOM 707 CA THR A 72 5.959 152.662 100.715 1.00 21.09 C ATOM 708 C THR A 72 4.642 153.153 100.118 1.00 22.14 C ATOM 709 O THR A 72 3.582 152.542 100.312 1.00 23.28 O ATOM 710 CB THR A 72 5.769 151.300 101.392 1.00 25.59 C ATOM 711 OG1 THR A 72 5.005 151.460 102.596 1.00 23.26 O ATOM 712 CG2 THR A 72 7.101 150.675 101.747 1.00 26.99 C ATOM 713 HG1 THR A 72 4.119 151.843 102.375 1.00 0.00 H ATOM 714 H THR A 72 6.038 153.761 102.579 1.00 0.00 H ATOM 715 N LYS A 73 4.721 154.260 99.384 1.00 21.79 N ATOM 716 CA LYS A 73 3.586 154.847 98.656 1.00 21.74 C ATOM 717 C LYS A 73 2.513 155.363 99.617 1.00 23.07 C ATOM 718 O LYS A 73 1.319 155.233 99.376 1.00 26.39 O ATOM 719 CB LYS A 73 3.003 153.860 97.636 1.00 23.60 C ATOM 720 CG LYS A 73 4.018 153.419 96.614 1.00 25.14 C ATOM 721 CD LYS A 73 3.387 152.604 95.510 1.00 31.05 C ATOM 722 CE LYS A 73 4.383 152.352 94.395 1.00 31.54 C ATOM 723 NZ LYS A 73 3.835 151.557 93.264 1.00 33.91 N ATOM 724 HZ1 LYS A 73 3.523 150.629 93.614 1.00 0.00 H ATOM 725 HZ2 LYS A 73 3.027 152.061 92.847 1.00 0.00 H ATOM 726 HZ3 LYS A 73 4.574 151.427 92.543 1.00 0.00 H ATOM 727 H LYS A 73 5.642 154.739 99.321 1.00 0.00 H ATOM 728 N SER A 74 2.945 155.994 100.694 1.00 21.92 N ATOM 729 CA SER A 74 1.974 156.575 101.607 1.00 23.50 C ATOM 730 C SER A 74 1.204 157.696 100.935 1.00 23.25 C ATOM 731 O SER A 74 1.694 158.368 100.026 1.00 24.38 O ATOM 732 CB SER A 74 2.678 157.110 102.861 1.00 21.34 C ATOM 733 OG SER A 74 3.315 158.353 102.593 1.00 24.33 O ATOM 734 HG SER A 74 3.988 158.230 101.877 1.00 0.00 H ATOM 735 H SER A 74 3.964 156.074 100.886 1.00 0.00 H ATOM 736 N SER A 75 -0.020 157.914 101.418 1.00 22.11 N ATOM 737 CA SER A 75 -0.842 158.982 100.899 1.00 23.37 C ATOM 738 C SER A 75 -0.366 160.356 101.350 1.00 24.59 C ATOM 739 O SER A 75 -0.396 161.308 100.557 1.00 28.95 O ATOM 740 CB SER A 75 -2.291 158.765 101.318 1.00 28.55 C ATOM 741 OG SER A 75 -2.872 157.706 100.569 1.00 28.36 O ATOM 742 HG SER A 75 -2.362 156.872 100.728 1.00 0.00 H ATOM 743 H SER A 75 -0.387 157.307 102.178 1.00 0.00 H ATOM 744 N ASN A 76 0.016 160.494 102.623 1.00 22.87 N ATOM 745 CA ASN A 76 0.268 161.792 103.236 1.00 24.99 C ATOM 746 C ASN A 76 1.730 162.072 103.555 1.00 28.09 C ATOM 747 O ASN A 76 2.027 163.185 103.992 1.00 28.39 O ATOM 748 CB ASN A 76 -0.540 161.936 104.535 1.00 24.86 C ATOM 749 CG ASN A 76 -2.029 162.048 104.281 1.00 25.48 C ATOM 750 OD1 ASN A 76 -2.477 162.793 103.384 1.00 27.82 O ATOM 751 ND2 ASN A 76 -2.821 161.318 105.063 1.00 25.81 N ATOM 752 HD22 ASN A 76 -2.408 160.710 105.799 1.00 0.00 H ATOM 753 HD21 ASN A 76 -3.853 161.356 104.938 1.00 0.00 H ATOM 754 H ASN A 76 0.139 159.638 103.201 1.00 0.00 H ATOM 755 N GLY A 77 2.639 161.122 103.360 1.00 23.14 N ATOM 756 CA GLY A 77 4.046 161.443 103.449 1.00 24.22 C ATOM 757 C GLY A 77 4.709 160.885 104.702 1.00 20.84 C ATOM 758 O GLY A 77 4.064 160.580 105.712 1.00 22.25 O ATOM 759 H GLY A 77 2.339 160.150 103.144 1.00 0.00 H ATOM 760 N THR A 78 6.034 160.771 104.600 1.00 20.74 N ATOM 761 CA THR A 78 6.954 160.408 105.669 1.00 19.90 C ATOM 762 C THR A 78 8.086 161.422 105.659 1.00 21.83 C ATOM 763 O THR A 78 8.505 161.873 104.591 1.00 22.29 O ATOM 764 CB THR A 78 7.510 159.000 105.465 1.00 21.74 C ATOM 765 OG1 THR A 78 6.426 158.079 105.367 1.00 26.19 O ATOM 766 CG2 THR A 78 8.397 158.563 106.602 1.00 23.75 C ATOM 767 HG1 THR A 78 5.853 158.326 104.598 1.00 0.00 H ATOM 768 H THR A 78 6.451 160.960 103.666 1.00 0.00 H ATOM 769 N PHE A 79 8.577 161.785 106.848 1.00 21.43 N ATOM 770 CA PHE A 79 9.572 162.832 106.954 1.00 20.40 C ATOM 771 C PHE A 79 10.656 162.443 107.956 1.00 23.88 C ATOM 772 O PHE A 79 10.372 161.891 109.022 1.00 23.85 O ATOM 773 CB PHE A 79 8.932 164.152 107.403 1.00 23.03 C ATOM 774 CG PHE A 79 7.712 164.556 106.626 1.00 24.89 C ATOM 775 CD1 PHE A 79 7.805 165.546 105.662 1.00 25.24 C ATOM 776 CD2 PHE A 79 6.478 163.968 106.863 1.00 25.60 C ATOM 777 CE1 PHE A 79 6.687 165.940 104.933 1.00 28.55 C ATOM 778 CE2 PHE A 79 5.352 164.366 106.141 1.00 26.17 C ATOM 779 CZ PHE A 79 5.463 165.348 105.174 1.00 30.44 C ATOM 780 H PHE A 79 8.240 161.309 107.709 1.00 0.00 H ATOM 781 N ILE A 80 11.899 162.764 107.617 1.00 22.41 N ATOM 782 CA ILE A 80 13.038 162.655 108.516 1.00 20.67 C ATOM 783 C ILE A 80 13.584 164.059 108.731 1.00 23.83 C ATOM 784 O ILE A 80 14.037 164.706 107.772 1.00 26.35 O ATOM 785 CB ILE A 80 14.140 161.741 107.962 1.00 20.34 C ATOM 786 CG1 ILE A 80 13.643 160.320 107.722 1.00 23.21 C ATOM 787 CG2 ILE A 80 15.364 161.735 108.903 1.00 23.09 C ATOM 788 CD1 ILE A 80 14.646 159.473 106.924 1.00 22.63 C ATOM 789 H ILE A 80 12.068 163.114 106.652 1.00 0.00 H ATOM 790 N ASN A 81 13.546 164.529 109.976 1.00 23.44 N ATOM 791 CA ASN A 81 14.050 165.861 110.303 1.00 23.85 C ATOM 792 C ASN A 81 13.470 166.900 109.347 1.00 28.63 C ATOM 793 O ASN A 81 14.168 167.758 108.809 1.00 30.48 O ATOM 794 CB ASN A 81 15.579 165.857 110.296 1.00 26.97 C ATOM 795 CG ASN A 81 16.143 164.928 111.368 1.00 28.56 C ATOM 796 OD1 ASN A 81 15.569 164.818 112.459 1.00 29.16 O ATOM 797 ND2 ASN A 81 17.244 164.236 111.059 1.00 29.32 N ATOM 798 HD22 ASN A 81 17.693 164.361 110.129 1.00 0.00 H ATOM 799 HD21 ASN A 81 17.652 163.573 111.748 1.00 0.00 H ATOM 800 H ASN A 81 13.149 163.935 110.732 1.00 0.00 H ATOM 801 N SER A 82 12.167 166.793 109.123 1.00 27.98 N ATOM 802 CA SER A 82 11.343 167.715 108.361 1.00 29.41 C ATOM 803 C SER A 82 11.473 167.524 106.854 1.00 33.66 C ATOM 804 O SER A 82 10.783 168.246 106.108 1.00 36.89 O ATOM 805 CB SER A 82 11.643 169.182 108.704 1.00 37.21 C ATOM 806 OG SER A 82 12.634 169.712 107.843 1.00 70.93 O ATOM 807 HG SER A 82 13.468 169.186 107.938 1.00 0.00 H ATOM 808 H SER A 82 11.688 165.967 109.534 1.00 0.00 H ATOM 809 N GLN A 83 12.292 166.591 106.363 1.00 28.45 N ATOM 810 CA GLN A 83 12.481 166.406 104.928 1.00 29.43 C ATOM 811 C GLN A 83 11.646 165.221 104.459 1.00 27.46 C ATOM 812 O GLN A 83 11.802 164.107 104.966 1.00 25.90 O ATOM 813 CB GLN A 83 13.954 166.187 104.588 1.00 34.16 C ATOM 814 CG GLN A 83 14.853 167.396 104.849 1.00 65.24 C ATOM 815 CD GLN A 83 14.440 168.626 104.057 1.00 97.75 C ATOM 816 OE1 GLN A 83 14.104 169.663 104.632 1.00118.70 O ATOM 817 NE2 GLN A 83 14.468 168.518 102.729 1.00102.44 N ATOM 818 HE22 GLN A 83 14.758 167.623 102.286 1.00 0.00 H ATOM 819 HE21 GLN A 83 14.200 169.329 102.136 1.00 0.00 H ATOM 820 H GLN A 83 12.811 165.978 107.023 1.00 0.00 H ATOM 821 N ARG A 84 10.788 165.456 103.466 1.00 28.15 N ATOM 822 CA ARG A 84 9.885 164.413 102.994 1.00 24.43 C ATOM 823 C ARG A 84 10.653 163.382 102.165 1.00 25.32 C ATOM 824 O ARG A 84 11.524 163.735 101.360 1.00 28.38 O ATOM 825 CB ARG A 84 8.774 165.048 102.157 1.00 26.72 C ATOM 826 CG ARG A 84 7.658 164.106 101.810 1.00 26.95 C ATOM 827 CD ARG A 84 6.522 164.825 101.126 1.00 27.92 C ATOM 828 NE ARG A 84 5.486 163.856 100.781 1.00 28.11 N ATOM 829 CZ ARG A 84 4.181 164.093 100.835 1.00 26.26 C ATOM 830 NH1 ARG A 84 3.729 165.295 101.178 1.00 29.49 N ATOM 831 NH2 ARG A 84 3.325 163.133 100.514 1.00 29.34 N ATOM 832 HE ARG A 84 5.792 162.912 100.471 1.00 0.00 H ATOM 833 HH12 ARG A 84 2.705 165.474 101.218 1.00 0.00 H ATOM 834 HH11 ARG A 84 4.399 166.057 101.406 1.00 0.00 H ATOM 835 HH22 ARG A 84 2.302 163.314 100.555 1.00 0.00 H ATOM 836 HH21 ARG A 84 3.677 162.199 100.221 1.00 0.00 H ATOM 837 H ARG A 84 10.762 166.396 103.022 1.00 0.00 H ATOM 838 N LEU A 85 10.302 162.101 102.337 1.00 24.47 N ATOM 839 CA LEU A 85 11.030 161.030 101.658 1.00 25.19 C ATOM 840 C LEU A 85 10.570 160.833 100.214 1.00 23.93 C ATOM 841 O LEU A 85 11.402 160.591 99.321 1.00 27.53 O ATOM 842 CB LEU A 85 10.880 159.714 102.423 1.00 25.65 C ATOM 843 CG LEU A 85 11.423 159.684 103.854 1.00 25.20 C ATOM 844 CD1 LEU A 85 11.587 158.221 104.263 1.00 26.33 C ATOM 845 CD2 LEU A 85 12.685 160.472 104.032 1.00 32.64 C ATOM 846 H LEU A 85 9.503 161.866 102.960 1.00 0.00 H ATOM 847 N SER A 86 9.264 160.911 99.964 1.00 25.94 N ATOM 848 CA SER A 86 8.730 160.696 98.625 1.00 27.51 C ATOM 849 C SER A 86 7.442 161.479 98.453 1.00 25.50 C ATOM 850 O SER A 86 6.784 161.854 99.423 1.00 25.88 O ATOM 851 CB SER A 86 8.459 159.206 98.367 1.00 26.39 C ATOM 852 OG SER A 86 7.577 158.678 99.361 1.00 27.70 O ATOM 853 HG SER A 86 7.414 157.719 99.179 1.00 0.00 H ATOM 854 H SER A 86 8.610 161.130 100.742 1.00 0.00 H ATOM 855 N ARG A 87 7.073 161.709 97.190 1.00 26.92 N ATOM 856 CA ARG A 87 5.790 162.303 96.863 1.00 29.99 C ATOM 857 C ARG A 87 4.668 161.347 97.225 1.00 25.27 C ATOM 858 O ARG A 87 4.880 160.153 97.420 1.00 27.27 O ATOM 859 CB ARG A 87 5.718 162.647 95.369 1.00 31.86 C ATOM 860 CG ARG A 87 6.743 163.652 95.004 1.00 32.63 C ATOM 861 CD ARG A 87 6.580 164.135 93.557 1.00 40.81 C ATOM 862 NE ARG A 87 7.116 165.489 93.486 1.00 50.57 N ATOM 863 CZ ARG A 87 6.414 166.596 93.729 1.00 61.36 C ATOM 864 NH1 ARG A 87 5.125 166.533 94.035 1.00 69.20 N ATOM 865 NH2 ARG A 87 7.002 167.780 93.657 1.00 67.16 N ATOM 866 HE ARG A 87 8.117 165.599 93.227 1.00 0.00 H ATOM 867 HH12 ARG A 87 4.592 167.406 94.222 1.00 0.00 H ATOM 868 HH11 ARG A 87 4.648 165.611 94.088 1.00 0.00 H ATOM 869 HH22 ARG A 87 6.456 168.644 93.846 1.00 0.00 H ATOM 870 HH21 ARG A 87 8.010 167.846 93.411 1.00 0.00 H ATOM 871 H ARG A 87 7.724 161.455 96.419 1.00 0.00 H ATOM 872 N GLY A 88 3.461 161.895 97.321 1.00 27.90 N ATOM 873 CA GLY A 88 2.295 161.083 97.591 1.00 29.22 C ATOM 874 C GLY A 88 2.199 159.916 96.630 1.00 25.52 C ATOM 875 O GLY A 88 2.369 160.078 95.421 1.00 27.97 O ATOM 876 H GLY A 88 3.353 162.922 97.200 1.00 0.00 H ATOM 877 N SER A 89 1.955 158.727 97.179 1.00 27.74 N ATOM 878 CA SER A 89 1.763 157.501 96.424 1.00 26.01 C ATOM 879 C SER A 89 3.005 157.067 95.664 1.00 30.18 C ATOM 880 O SER A 89 2.890 156.288 94.724 1.00 31.79 O ATOM 881 CB SER A 89 0.590 157.623 95.442 1.00 31.60 C ATOM 882 OG SER A 89 -0.611 157.895 96.129 1.00 32.61 O ATOM 883 HG SER A 89 -1.353 157.970 95.478 1.00 0.00 H ATOM 884 H SER A 89 1.898 158.673 98.216 1.00 0.00 H ATOM 885 N GLU A 90 4.186 157.554 96.043 1.00 26.40 N ATOM 886 CA GLU A 90 5.453 157.129 95.467 1.00 26.56 C ATOM 887 C GLU A 90 6.301 156.467 96.540 1.00 25.88 C ATOM 888 O GLU A 90 6.156 156.744 97.734 1.00 26.45 O ATOM 889 CB GLU A 90 6.191 158.321 94.822 1.00 30.05 C ATOM 890 CG GLU A 90 5.301 158.956 93.734 1.00 33.85 C ATOM 891 CD GLU A 90 6.002 159.949 92.819 1.00 58.60 C ATOM 892 OE1 GLU A 90 5.296 160.653 92.060 1.00 69.68 O ATOM 893 OE2 GLU A 90 7.243 160.023 92.853 1.00 47.07 O ATOM 894 H GLU A 90 4.203 158.277 96.791 1.00 0.00 H ATOM 895 N GLU A 91 7.150 155.543 96.111 1.00 29.12 N ATOM 896 CA GLU A 91 8.058 154.890 97.029 1.00 27.66 C ATOM 897 C GLU A 91 9.376 155.650 97.098 1.00 24.65 C ATOM 898 O GLU A 91 9.884 156.126 96.080 1.00 31.22 O ATOM 899 CB GLU A 91 8.289 153.461 96.585 1.00 34.85 C ATOM 900 CG GLU A 91 8.763 152.564 97.683 1.00 65.66 C ATOM 901 CD GLU A 91 8.729 151.133 97.259 1.00 94.53 C ATOM 902 OE1 GLU A 91 7.828 150.388 97.708 1.00 77.20 O ATOM 903 OE2 GLU A 91 9.597 150.781 96.438 1.00 57.21 O ATOM 904 H GLU A 91 7.163 155.285 95.104 1.00 0.00 H ATOM 905 N SER A 92 9.912 155.759 98.269 1.00 24.40 N ATOM 906 CA SER A 92 11.214 156.378 98.434 1.00 27.78 C ATOM 907 C SER A 92 12.295 155.319 98.333 1.00 27.03 C ATOM 908 O SER A 92 12.023 154.121 98.461 1.00 27.09 O ATOM 909 CB SER A 92 11.312 157.087 99.791 1.00 27.45 C ATOM 910 OG SER A 92 11.524 156.166 100.868 1.00 23.18 O ATOM 911 HG SER A 92 12.368 155.672 100.717 1.00 0.00 H ATOM 912 H SER A 92 9.404 155.399 99.102 1.00 0.00 H ATOM 913 N PRO A 93 13.533 155.726 98.074 1.00 26.74 N ATOM 914 CA PRO A 93 14.656 154.848 98.348 1.00 25.90 C ATOM 915 C PRO A 93 14.781 154.624 99.841 1.00 24.47 C ATOM 916 O PRO A 93 14.123 155.302 100.642 1.00 25.55 O ATOM 917 CB PRO A 93 15.859 155.634 97.808 1.00 35.51 C ATOM 918 CG PRO A 93 15.474 157.041 98.037 1.00 38.64 C ATOM 919 CD PRO A 93 13.979 157.090 97.737 1.00 35.82 C ATOM 920 N PRO A 94 15.622 153.695 100.260 1.00 26.28 N ATOM 921 CA PRO A 94 15.964 153.623 101.684 1.00 25.46 C ATOM 922 C PRO A 94 16.696 154.886 102.109 1.00 27.00 C ATOM 923 O PRO A 94 17.630 155.343 101.433 1.00 28.98 O ATOM 924 CB PRO A 94 16.871 152.396 101.773 1.00 24.98 C ATOM 925 CG PRO A 94 16.589 151.612 100.546 1.00 28.71 C ATOM 926 CD PRO A 94 16.247 152.619 99.487 1.00 29.86 C ATOM 927 N CYS A 95 16.264 155.449 103.235 1.00 22.63 N ATOM 928 CA CYS A 95 16.799 156.701 103.749 1.00 22.95 C ATOM 929 C CYS A 95 17.337 156.443 105.149 1.00 21.48 C ATOM 930 O CYS A 95 16.615 155.948 106.018 1.00 23.11 O ATOM 931 CB CYS A 95 15.732 157.792 103.782 1.00 23.31 C ATOM 932 SG CYS A 95 15.141 158.234 102.135 1.00 30.53 S ATOM 933 H CYS A 95 15.511 154.973 103.771 1.00 0.00 H ATOM 934 N GLU A 96 18.610 156.757 105.361 1.00 23.91 N ATOM 935 CA GLU A 96 19.232 156.435 106.640 1.00 22.10 C ATOM 936 C GLU A 96 18.633 157.245 107.777 1.00 26.51 C ATOM 937 O GLU A 96 18.384 158.448 107.643 1.00 26.24 O ATOM 938 CB GLU A 96 20.735 156.682 106.578 1.00 25.22 C ATOM 939 CG GLU A 96 21.411 156.302 107.898 1.00 24.64 C ATOM 940 CD GLU A 96 22.918 156.486 107.913 1.00 27.23 C ATOM 941 OE1 GLU A 96 23.491 156.976 106.900 1.00 33.12 O ATOM 942 OE2 GLU A 96 23.551 156.115 108.946 1.00 29.65 O ATOM 943 H GLU A 96 19.161 157.231 104.617 1.00 0.00 H ATOM 944 N ILE A 97 18.405 156.572 108.918 1.00 22.61 N ATOM 945 CA ILE A 97 18.001 157.249 110.138 1.00 21.74 C ATOM 946 C ILE A 97 19.054 156.978 111.201 1.00 26.51 C ATOM 947 O ILE A 97 19.728 155.945 111.189 1.00 23.83 O ATOM 948 CB ILE A 97 16.592 156.828 110.622 1.00 22.54 C ATOM 949 CG1 ILE A 97 16.434 155.318 110.632 1.00 21.14 C ATOM 950 CG2 ILE A 97 15.561 157.433 109.718 1.00 25.16 C ATOM 951 CD1 ILE A 97 15.138 154.815 111.288 1.00 24.46 C ATOM 952 H ILE A 97 18.521 155.539 108.928 1.00 0.00 H ATOM 953 N LEU A 98 19.200 157.941 112.111 1.00 24.08 N ATOM 954 CA LEU A 98 20.151 157.875 113.212 1.00 22.10 C ATOM 955 C LEU A 98 19.407 158.158 114.504 1.00 23.25 C ATOM 956 O LEU A 98 18.351 158.787 114.499 1.00 23.89 O ATOM 957 CB LEU A 98 21.277 158.866 113.003 1.00 24.57 C ATOM 958 CG LEU A 98 22.271 158.455 111.915 1.00 30.74 C ATOM 959 CD1 LEU A 98 23.112 159.662 111.588 1.00 40.93 C ATOM 960 CD2 LEU A 98 23.161 157.279 112.368 1.00 30.83 C ATOM 961 H LEU A 98 18.601 158.787 112.030 1.00 0.00 H ATOM 962 N SER A 99 19.988 157.695 115.612 1.00 24.93 N ATOM 963 CA SER A 99 19.365 157.895 116.907 1.00 21.89 C ATOM 964 C SER A 99 19.218 159.393 117.173 1.00 24.41 C ATOM 965 O SER A 99 20.144 160.174 116.947 1.00 28.00 O ATOM 966 CB SER A 99 20.195 157.212 117.981 1.00 24.50 C ATOM 967 OG SER A 99 19.407 156.990 119.123 1.00 27.70 O ATOM 968 HG SER A 99 19.954 156.545 119.818 1.00 0.00 H ATOM 969 H SER A 99 20.893 157.187 115.547 1.00 0.00 H ATOM 970 N GLY A 100 18.030 159.803 117.629 1.00 26.36 N ATOM 971 CA GLY A 100 17.751 161.201 117.840 1.00 27.59 C ATOM 972 C GLY A 100 16.960 161.853 116.732 1.00 27.87 C ATOM 973 O GLY A 100 16.487 162.979 116.907 1.00 28.06 O ATOM 974 H GLY A 100 17.293 159.099 117.836 1.00 0.00 H ATOM 975 N ASP A 101 16.860 161.204 115.582 1.00 23.96 N ATOM 976 CA ASP A 101 16.120 161.776 114.470 1.00 24.70 C ATOM 977 C ASP A 101 14.665 161.961 114.852 1.00 27.87 C ATOM 978 O ASP A 101 14.112 161.206 115.661 1.00 25.32 O ATOM 979 CB ASP A 101 16.214 160.870 113.242 1.00 23.88 C ATOM 980 CG ASP A 101 17.510 161.064 112.452 1.00 28.35 C ATOM 981 OD1 ASP A 101 18.266 162.035 112.739 1.00 28.07 O ATOM 982 OD2 ASP A 101 17.749 160.242 111.507 1.00 28.26 O ATOM 983 H ASP A 101 17.316 160.275 115.474 1.00 0.00 H ATOM 984 N ILE A 102 14.050 162.983 114.257 1.00 24.99 N ATOM 985 CA ILE A 102 12.619 163.241 114.373 1.00 23.60 C ATOM 986 C ILE A 102 11.941 162.691 113.122 1.00 22.63 C ATOM 987 O ILE A 102 12.194 163.156 112.005 1.00 23.93 O ATOM 988 CB ILE A 102 12.326 164.738 114.543 1.00 23.71 C ATOM 989 CG1 ILE A 102 12.920 165.227 115.869 1.00 32.02 C ATOM 990 CG2 ILE A 102 10.820 164.984 114.545 1.00 24.76 C ATOM 991 CD1 ILE A 102 12.825 166.708 116.081 1.00 59.85 C ATOM 992 H ILE A 102 14.621 163.632 113.679 1.00 0.00 H ATOM 993 N ILE A 103 11.097 161.685 113.304 1.00 22.90 N ATOM 994 CA ILE A 103 10.406 161.010 112.211 1.00 20.45 C ATOM 995 C ILE A 103 8.929 161.335 112.284 1.00 20.04 C ATOM 996 O ILE A 103 8.314 161.246 113.351 1.00 23.66 O ATOM 997 CB ILE A 103 10.616 159.486 112.280 1.00 28.47 C ATOM 998 CG1 ILE A 103 12.108 159.131 112.381 1.00 32.78 C ATOM 999 CG2 ILE A 103 9.934 158.793 111.114 1.00 36.41 C ATOM 1000 CD1 ILE A 103 12.926 159.706 111.386 1.00 30.76 C ATOM 1001 H ILE A 103 10.918 161.360 114.276 1.00 0.00 H ATOM 1002 N GLN A 104 8.352 161.697 111.148 1.00 23.44 N ATOM 1003 CA GLN A 104 6.949 162.036 111.075 1.00 19.89 C ATOM 1004 C GLN A 104 6.276 161.136 110.065 1.00 19.22 C ATOM 1005 O GLN A 104 6.778 160.960 108.950 1.00 21.00 O ATOM 1006 CB GLN A 104 6.746 163.502 110.704 1.00 24.58 C ATOM 1007 CG GLN A 104 5.328 163.912 110.562 1.00 23.74 C ATOM 1008 CD GLN A 104 5.187 165.392 110.311 1.00 30.71 C ATOM 1009 OE1 GLN A 104 5.869 166.203 110.946 1.00 32.05 O ATOM 1010 NE2 GLN A 104 4.321 165.761 109.368 1.00 29.87 N ATOM 1011 HE22 GLN A 104 3.768 165.042 108.859 1.00 0.00 H ATOM 1012 HE21 GLN A 104 4.198 166.768 109.141 1.00 0.00 H ATOM 1013 H GLN A 104 8.926 161.739 110.282 1.00 0.00 H ATOM 1014 N PHE A 105 5.133 160.585 110.442 1.00 21.24 N ATOM 1015 CA PHE A 105 4.303 159.809 109.527 1.00 20.03 C ATOM 1016 C PHE A 105 2.981 160.525 109.354 1.00 22.57 C ATOM 1017 O PHE A 105 2.248 160.737 110.331 1.00 22.63 O ATOM 1018 CB PHE A 105 4.079 158.401 110.055 1.00 22.67 C ATOM 1019 CG PHE A 105 5.339 157.672 110.385 1.00 20.28 C ATOM 1020 CD1 PHE A 105 6.157 157.212 109.377 1.00 21.65 C ATOM 1021 CD2 PHE A 105 5.699 157.420 111.698 1.00 27.06 C ATOM 1022 CE1 PHE A 105 7.329 156.518 109.660 1.00 26.04 C ATOM 1023 CE2 PHE A 105 6.879 156.733 111.979 1.00 28.44 C ATOM 1024 CZ PHE A 105 7.686 156.307 110.968 1.00 23.60 C ATOM 1025 H PHE A 105 4.816 160.710 111.425 1.00 0.00 H ATOM 1026 N GLY A 106 2.664 160.879 108.110 1.00 22.19 N ATOM 1027 CA GLY A 106 1.463 161.635 107.819 1.00 24.93 C ATOM 1028 C GLY A 106 1.659 163.121 108.031 1.00 25.08 C ATOM 1029 O GLY A 106 2.748 163.621 108.329 1.00 25.51 O ATOM 1030 H GLY A 106 3.294 160.606 107.329 1.00 0.00 H ATOM 1031 N VAL A 107 0.548 163.838 107.858 1.00 26.26 N ATOM 1032 CA VAL A 107 0.432 165.252 108.172 1.00 30.09 C ATOM 1033 C VAL A 107 -0.919 165.445 108.834 1.00 27.57 C ATOM 1034 O VAL A 107 -1.802 164.591 108.743 1.00 28.77 O ATOM 1035 CB VAL A 107 0.555 166.164 106.928 1.00 29.55 C ATOM 1036 CG1 VAL A 107 1.930 166.031 106.314 1.00 31.86 C ATOM 1037 CG2 VAL A 107 -0.547 165.871 105.898 1.00 28.57 C ATOM 1038 H VAL A 107 -0.289 163.354 107.474 1.00 0.00 H ATOM 1039 N ASP A 108 -1.100 166.594 109.483 1.00 29.46 N ATOM 1040 CA ASP A 108 -2.410 166.886 110.055 1.00 37.23 C ATOM 1041 C ASP A 108 -3.445 167.010 108.936 1.00 34.52 C ATOM 1042 O ASP A 108 -3.180 167.594 107.882 1.00 36.64 O ATOM 1043 CB ASP A 108 -2.371 168.187 110.885 1.00 37.18 C ATOM 1044 CG ASP A 108 -1.648 168.034 112.230 1.00 46.29 C ATOM 1045 OD1 ASP A 108 -1.028 166.985 112.502 1.00 40.27 O ATOM 1046 OD2 ASP A 108 -1.695 168.992 113.031 1.00 54.25 O ATOM 1047 H ASP A 108 -0.319 167.273 109.581 1.00 0.00 H ATOM 1048 N VAL A 109 -4.643 166.475 109.169 1.00 35.75 N ATOM 1049 CA VAL A 109 -5.736 166.565 108.204 1.00 39.40 C ATOM 1050 C VAL A 109 -7.002 166.987 108.932 1.00 41.96 C ATOM 1051 O VAL A 109 -7.392 166.363 109.925 1.00 42.48 O ATOM 1052 CB VAL A 109 -5.967 165.232 107.464 1.00 32.52 C ATOM 1053 CG1 VAL A 109 -7.088 165.386 106.437 1.00 45.18 C ATOM 1054 CG2 VAL A 109 -4.710 164.771 106.772 1.00 36.31 C ATOM 1055 H VAL A 109 -4.805 165.977 110.067 1.00 0.00 H ATOM 1056 N THR A 110 -7.651 168.035 108.431 1.00 41.33 N ATOM 1057 CA THR A 110 -8.950 168.455 108.933 1.00 43.91 C ATOM 1058 C THR A 110 -10.051 167.782 108.123 1.00 50.07 C ATOM 1059 O THR A 110 -10.142 167.973 106.907 1.00 50.51 O ATOM 1060 CB THR A 110 -9.081 169.971 108.871 1.00 51.06 C ATOM 1061 OG1 THR A 110 -8.100 170.557 109.735 1.00 51.73 O ATOM 1062 CG2 THR A 110 -10.481 170.414 109.315 1.00 62.58 C ATOM 1063 HG1 THR A 110 -8.250 170.245 110.662 1.00 0.00 H ATOM 1064 H THR A 110 -7.215 168.572 107.654 1.00 0.00 H ATOM 1065 N GLU A 111 -10.877 166.991 108.805 1.00 57.20 N ATOM 1066 CA GLU A 111 -12.072 166.404 108.208 1.00 50.26 C ATOM 1067 C GLU A 111 -13.111 167.506 108.044 1.00 54.01 C ATOM 1068 O GLU A 111 -13.633 168.037 109.030 1.00 53.06 O ATOM 1069 CB GLU A 111 -12.585 165.273 109.096 1.00 81.90 C ATOM 1070 CG GLU A 111 -13.250 164.116 108.362 1.00 89.91 C ATOM 1071 CD GLU A 111 -14.705 164.374 108.036 1.00 93.43 C ATOM 1072 OE1 GLU A 111 -15.439 163.394 107.803 1.00103.10 O ATOM 1073 OE2 GLU A 111 -15.119 165.549 108.014 1.00115.94 O ATOM 1074 H GLU A 111 -10.662 166.784 109.801 1.00 0.00 H ATOM 1075 N ASN A 112 -13.430 167.852 106.799 1.00 62.95 N ATOM 1076 CA ASN A 112 -14.169 169.088 106.561 1.00 75.01 C ATOM 1077 C ASN A 112 -15.619 168.991 107.034 1.00 65.62 C ATOM 1078 O ASN A 112 -16.163 169.969 107.557 1.00 85.68 O ATOM 1079 CB ASN A 112 -14.104 169.463 105.078 1.00 82.11 C ATOM 1080 CG ASN A 112 -12.693 169.827 104.626 1.00 83.57 C ATOM 1081 OD1 ASN A 112 -12.114 170.817 105.083 1.00 89.58 O ATOM 1082 ND2 ASN A 112 -12.143 169.035 103.711 1.00 80.68 N ATOM 1083 HD22 ASN A 112 -12.667 168.211 103.354 1.00 0.00 H ATOM 1084 HD21 ASN A 112 -11.188 169.239 103.352 1.00 0.00 H ATOM 1085 H ASN A 112 -13.154 167.245 106.001 1.00 0.00 H ATOM 1086 N THR A 113 -16.269 167.836 106.867 1.00 50.88 N ATOM 1087 CA THR A 113 -17.690 167.770 107.207 1.00 56.81 C ATOM 1088 C THR A 113 -17.912 167.721 108.713 1.00 53.98 C ATOM 1089 O THR A 113 -18.952 168.183 109.198 1.00 73.30 O ATOM 1090 CB THR A 113 -18.360 166.561 106.546 1.00 54.45 C ATOM 1091 OG1 THR A 113 -17.946 165.356 107.204 1.00 49.91 O ATOM 1092 CG2 THR A 113 -18.008 166.490 105.067 1.00 58.08 C ATOM 1093 HG1 THR A 113 -16.963 165.265 107.134 1.00 0.00 H ATOM 1094 H THR A 113 -15.773 166.998 106.501 1.00 0.00 H ATOM 1095 N ARG A 114 -16.960 167.165 109.465 1.00 43.90 N ATOM 1096 CA ARG A 114 -17.061 167.113 110.914 1.00 43.90 C ATOM 1097 C ARG A 114 -16.169 168.142 111.599 1.00 44.94 C ATOM 1098 O ARG A 114 -16.242 168.282 112.821 1.00 47.93 O ATOM 1099 CB ARG A 114 -16.725 165.698 111.407 1.00 39.98 C ATOM 1100 CG ARG A 114 -17.693 164.642 110.862 1.00 39.23 C ATOM 1101 CD ARG A 114 -17.335 163.223 111.270 1.00 37.52 C ATOM 1102 NE ARG A 114 -18.355 162.291 110.795 1.00 37.16 N ATOM 1103 CZ ARG A 114 -18.344 161.692 109.612 1.00 44.22 C ATOM 1104 NH1 ARG A 114 -19.327 160.863 109.271 1.00 38.45 N ATOM 1105 NH2 ARG A 114 -17.352 161.922 108.762 1.00 43.07 N ATOM 1106 HE ARG A 114 -19.149 162.082 111.433 1.00 0.00 H ATOM 1107 HH12 ARG A 114 -19.314 160.395 108.342 1.00 0.00 H ATOM 1108 HH11 ARG A 114 -20.108 160.682 109.933 1.00 0.00 H ATOM 1109 HH22 ARG A 114 -17.343 161.452 107.834 1.00 0.00 H ATOM 1110 HH21 ARG A 114 -16.583 162.572 109.023 1.00 0.00 H ATOM 1111 H ARG A 114 -16.123 166.758 109.001 1.00 0.00 H ATOM 1112 N LYS A 115 -15.352 168.870 110.834 1.00 56.45 N ATOM 1113 CA LYS A 115 -14.514 169.949 111.354 1.00 60.62 C ATOM 1114 C LYS A 115 -13.707 169.479 112.560 1.00 57.09 C ATOM 1115 O LYS A 115 -13.622 170.146 113.594 1.00 57.76 O ATOM 1116 CB LYS A 115 -15.355 171.178 111.694 1.00 68.09 C ATOM 1117 CG LYS A 115 -15.910 171.890 110.469 1.00 78.44 C ATOM 1118 CD LYS A 115 -17.293 171.387 110.092 1.00 95.63 C ATOM 1119 CE LYS A 115 -18.360 172.417 110.419 1.00100.87 C ATOM 1120 NZ LYS A 115 -18.416 173.491 109.386 1.00107.72 N ATOM 1121 HZ1 LYS A 115 -17.496 173.973 109.338 1.00 0.00 H ATOM 1122 HZ2 LYS A 115 -18.636 173.070 108.461 1.00 0.00 H ATOM 1123 HZ3 LYS A 115 -19.155 174.177 109.641 1.00 0.00 H ATOM 1124 H LYS A 115 -15.310 168.659 109.817 1.00 0.00 H ATOM 1125 N VAL A 116 -13.106 168.304 112.415 1.00 42.17 N ATOM 1126 CA VAL A 116 -12.191 167.749 113.403 1.00 40.32 C ATOM 1127 C VAL A 116 -10.837 167.570 112.729 1.00 40.59 C ATOM 1128 O VAL A 116 -10.756 167.029 111.620 1.00 52.09 O ATOM 1129 CB VAL A 116 -12.714 166.414 113.968 1.00 48.07 C ATOM 1130 CG1 VAL A 116 -11.662 165.731 114.831 1.00 56.64 C ATOM 1131 CG2 VAL A 116 -13.983 166.655 114.777 1.00 56.32 C ATOM 1132 H VAL A 116 -13.298 167.753 111.554 1.00 0.00 H ATOM 1133 N THR A 117 -9.779 168.037 113.387 1.00 39.51 N ATOM 1134 CA THR A 117 -8.426 167.896 112.864 1.00 39.90 C ATOM 1135 C THR A 117 -7.775 166.656 113.460 1.00 38.86 C ATOM 1136 O THR A 117 -7.714 166.501 114.682 1.00 40.17 O ATOM 1137 CB THR A 117 -7.581 169.134 113.159 1.00 47.30 C ATOM 1138 OG1 THR A 117 -8.096 170.239 112.411 1.00 59.20 O ATOM 1139 CG2 THR A 117 -6.124 168.897 112.752 1.00 46.10 C ATOM 1140 HG1 THR A 117 -8.055 170.029 111.444 1.00 0.00 H ATOM 1141 H THR A 117 -9.921 168.516 114.299 1.00 0.00 H ATOM 1142 N HIS A 118 -7.302 165.773 112.592 1.00 35.97 N ATOM 1143 CA HIS A 118 -6.620 164.558 113.007 1.00 34.67 C ATOM 1144 C HIS A 118 -5.120 164.786 112.891 1.00 36.19 C ATOM 1145 O HIS A 118 -4.620 165.109 111.806 1.00 35.34 O ATOM 1146 CB HIS A 118 -7.048 163.372 112.145 1.00 35.73 C ATOM 1147 CG HIS A 118 -8.468 162.953 112.357 1.00 50.28 C ATOM 1148 ND1 HIS A 118 -9.539 163.691 111.901 1.00 64.00 N ATOM 1149 CD2 HIS A 118 -8.994 161.873 112.980 1.00 59.17 C ATOM 1150 CE1 HIS A 118 -10.663 163.081 112.227 1.00 74.46 C ATOM 1151 NE2 HIS A 118 -10.361 161.978 112.887 1.00 50.68 N ATOM 1152 H HIS A 118 -7.423 165.956 111.576 1.00 0.00 H ATOM 1153 N GLY A 119 -4.412 164.644 114.012 1.00 34.14 N ATOM 1154 CA GLY A 119 -2.976 164.835 114.006 1.00 33.97 C ATOM 1155 C GLY A 119 -2.237 163.643 113.437 1.00 33.22 C ATOM 1156 O GLY A 119 -2.774 162.543 113.321 1.00 32.83 O ATOM 1157 H GLY A 119 -4.895 164.394 114.898 1.00 0.00 H ATOM 1158 N CYS A 120 -0.985 163.890 113.060 1.00 33.29 N ATOM 1159 CA CYS A 120 -0.103 162.855 112.548 1.00 32.97 C ATOM 1160 C CYS A 120 0.790 162.326 113.666 1.00 32.56 C ATOM 1161 O CYS A 120 0.748 162.791 114.808 1.00 32.55 O ATOM 1162 CB CYS A 120 0.734 163.403 111.395 1.00 33.64 C ATOM 1163 SG CYS A 120 1.726 164.827 111.829 1.00 34.09 S ATOM 1164 H CYS A 120 -0.623 164.862 113.135 1.00 0.00 H ATOM 1165 N ILE A 121 1.598 161.331 113.331 1.00 21.67 N ATOM 1166 CA ILE A 121 2.541 160.745 114.274 1.00 20.47 C ATOM 1167 C ILE A 121 3.878 161.460 114.113 1.00 23.62 C ATOM 1168 O ILE A 121 4.458 161.480 113.010 1.00 23.52 O ATOM 1169 CB ILE A 121 2.679 159.228 114.045 1.00 21.74 C ATOM 1170 CG1 ILE A 121 1.367 158.491 114.315 1.00 23.44 C ATOM 1171 CG2 ILE A 121 3.837 158.630 114.875 1.00 22.26 C ATOM 1172 CD1 ILE A 121 0.916 158.466 115.809 1.00 25.51 C ATOM 1173 H ILE A 121 1.558 160.956 112.362 1.00 0.00 H ATOM 1174 N VAL A 122 4.382 162.022 115.211 1.00 22.49 N ATOM 1175 CA VAL A 122 5.680 162.679 115.238 1.00 22.38 C ATOM 1176 C VAL A 122 6.465 162.067 116.383 1.00 22.47 C ATOM 1177 O VAL A 122 6.025 162.110 117.542 1.00 23.05 O ATOM 1178 CB VAL A 122 5.562 164.207 115.394 1.00 24.40 C ATOM 1179 CG1 VAL A 122 6.899 164.872 115.164 1.00 26.55 C ATOM 1180 CG2 VAL A 122 4.550 164.780 114.414 1.00 26.64 C ATOM 1181 H VAL A 122 3.823 161.990 116.087 1.00 0.00 H ATOM 1182 N SER A 123 7.609 161.486 116.067 1.00 23.47 N ATOM 1183 CA SER A 123 8.340 160.648 116.998 1.00 22.88 C ATOM 1184 C SER A 123 9.817 161.023 117.020 1.00 22.33 C ATOM 1185 O SER A 123 10.402 161.369 115.987 1.00 26.43 O ATOM 1186 CB SER A 123 8.170 159.171 116.614 1.00 25.75 C ATOM 1187 OG SER A 123 8.817 158.293 117.534 1.00 30.60 O ATOM 1188 HG SER A 123 9.786 158.495 117.555 1.00 0.00 H ATOM 1189 H SER A 123 8.000 161.635 115.115 1.00 0.00 H ATOM 1190 N THR A 124 10.418 160.980 118.204 1.00 20.30 N ATOM 1191 CA THR A 124 11.868 160.892 118.324 1.00 22.95 C ATOM 1192 C THR A 124 12.194 159.405 118.306 1.00 28.37 C ATOM 1193 O THR A 124 11.505 158.612 118.941 1.00 32.99 O ATOM 1194 CB THR A 124 12.371 161.564 119.612 1.00 25.95 C ATOM 1195 OG1 THR A 124 12.450 162.986 119.414 1.00 30.87 O ATOM 1196 CG2 THR A 124 13.739 161.037 120.014 1.00 29.79 C ATOM 1197 HG1 THR A 124 12.774 163.416 120.245 1.00 0.00 H ATOM 1198 H THR A 124 9.839 161.010 119.067 1.00 0.00 H ATOM 1199 N ILE A 125 13.187 159.003 117.529 1.00 23.50 N ATOM 1200 CA ILE A 125 13.525 157.591 117.439 1.00 21.07 C ATOM 1201 C ILE A 125 14.900 157.421 118.054 1.00 25.50 C ATOM 1202 O ILE A 125 15.797 158.225 117.801 1.00 34.20 O ATOM 1203 CB ILE A 125 13.478 157.072 115.990 1.00 23.46 C ATOM 1204 CG1 ILE A 125 13.493 155.532 115.970 1.00 30.60 C ATOM 1205 CG2 ILE A 125 14.610 157.690 115.133 1.00 35.85 C ATOM 1206 CD1 ILE A 125 13.045 154.930 114.662 1.00 56.76 C ATOM 1207 H ILE A 125 13.729 159.700 116.980 1.00 0.00 H ATOM 1208 N LYS A 126 15.049 156.400 118.884 1.00 23.31 N ATOM 1209 CA LYS A 126 16.343 156.003 119.395 1.00 23.51 C ATOM 1210 C LYS A 126 16.670 154.647 118.794 1.00 24.13 C ATOM 1211 O LYS A 126 15.795 153.791 118.663 1.00 26.10 O ATOM 1212 CB LYS A 126 16.363 155.937 120.917 1.00 30.99 C ATOM 1213 CG LYS A 126 16.282 157.304 121.561 1.00 43.04 C ATOM 1214 CD LYS A 126 16.788 157.277 123.003 1.00 74.82 C ATOM 1215 CE LYS A 126 15.973 156.334 123.882 1.00 67.15 C ATOM 1216 NZ LYS A 126 14.540 156.744 123.995 1.00 69.44 N ATOM 1217 HZ1 LYS A 126 14.485 157.696 124.411 1.00 0.00 H ATOM 1218 HZ2 LYS A 126 14.107 156.752 123.049 1.00 0.00 H ATOM 1219 HZ3 LYS A 126 14.034 156.069 124.603 1.00 0.00 H ATOM 1220 H LYS A 126 14.207 155.865 119.179 1.00 0.00 H ATOM 1221 N LEU A 127 17.918 154.473 118.388 1.00 23.60 N ATOM 1222 CA LEU A 127 18.316 153.295 117.629 1.00 21.09 C ATOM 1223 C LEU A 127 19.545 152.665 118.253 1.00 21.29 C ATOM 1224 O LEU A 127 20.518 153.367 118.529 1.00 22.87 O ATOM 1225 CB LEU A 127 18.629 153.664 116.176 1.00 23.35 C ATOM 1226 CG LEU A 127 17.460 154.271 115.418 1.00 21.82 C ATOM 1227 CD1 LEU A 127 17.971 154.874 114.092 1.00 22.14 C ATOM 1228 CD2 LEU A 127 16.408 153.221 115.151 1.00 23.91 C ATOM 1229 H LEU A 127 18.631 155.195 118.616 1.00 0.00 H ATOM 1230 N PHE A 128 19.495 151.342 118.425 1.00 25.18 N ATOM 1231 CA PHE A 128 20.585 150.579 119.013 1.00 23.68 C ATOM 1232 C PHE A 128 21.008 149.428 118.100 1.00 23.93 C ATOM 1233 O PHE A 128 20.186 148.619 117.653 1.00 23.94 O ATOM 1234 CB PHE A 128 20.177 150.097 120.418 1.00 25.48 C ATOM 1235 CG PHE A 128 19.735 151.217 121.297 1.00 25.65 C ATOM 1236 CD1 PHE A 128 20.674 152.008 121.948 1.00 27.86 C ATOM 1237 CD2 PHE A 128 18.389 151.529 121.432 1.00 29.34 C ATOM 1238 CE1 PHE A 128 20.259 153.068 122.734 1.00 28.94 C ATOM 1239 CE2 PHE A 128 17.987 152.580 122.210 1.00 32.03 C ATOM 1240 CZ PHE A 128 18.922 153.347 122.866 1.00 31.69 C ATOM 1241 H PHE A 128 18.638 150.834 118.125 1.00 0.00 H ATOM 1242 N LEU A 129 22.300 149.385 117.816 1.00 30.34 N ATOM 1243 CA LEU A 129 22.897 148.283 117.097 1.00 31.15 C ATOM 1244 C LEU A 129 22.671 146.971 117.844 1.00 31.91 C ATOM 1245 O LEU A 129 22.401 146.968 119.050 1.00 32.65 O ATOM 1246 CB LEU A 129 24.395 148.527 116.940 1.00 34.21 C ATOM 1247 CG LEU A 129 24.745 149.895 116.353 1.00 40.93 C ATOM 1248 CD1 LEU A 129 26.246 150.185 116.487 1.00 43.99 C ATOM 1249 CD2 LEU A 129 24.316 149.898 114.947 1.00 37.25 C ATOM 1250 H LEU A 129 22.907 150.172 118.121 1.00 0.00 H ATOM 1251 N PRO A 130 22.787 145.839 117.149 1.00 32.07 N ATOM 1252 CA PRO A 130 22.726 144.549 117.851 1.00 33.56 C ATOM 1253 C PRO A 130 23.657 144.457 119.041 1.00 38.47 C ATOM 1254 O PRO A 130 23.300 143.798 120.019 1.00 38.65 O ATOM 1255 CB PRO A 130 23.109 143.547 116.754 1.00 34.06 C ATOM 1256 CG PRO A 130 22.594 144.174 115.524 1.00 33.93 C ATOM 1257 CD PRO A 130 22.848 145.653 115.687 1.00 35.34 C ATOM 1258 N ASP A 131 24.836 145.080 118.998 1.00 38.93 N ATOM 1259 CA ASP A 131 25.757 145.024 120.136 1.00 50.69 C ATOM 1260 C ASP A 131 25.380 145.986 121.259 1.00 45.84 C ATOM 1261 O ASP A 131 26.117 146.072 122.255 1.00 47.23 O ATOM 1262 CB ASP A 131 27.205 145.294 119.688 1.00 78.86 C ATOM 1263 CG ASP A 131 27.444 146.735 119.222 1.00 83.62 C ATOM 1264 OD1 ASP A 131 28.586 147.040 118.816 1.00104.75 O ATOM 1265 OD2 ASP A 131 26.512 147.563 119.245 1.00 66.82 O ATOM 1266 H ASP A 131 25.105 145.612 118.146 1.00 0.00 H ATOM 1267 N GLY A 132 24.261 146.701 121.137 1.00 41.15 N ATOM 1268 CA GLY A 132 23.766 147.574 122.183 1.00 40.30 C ATOM 1269 C GLY A 132 24.166 149.028 122.032 1.00 43.30 C ATOM 1270 O GLY A 132 23.518 149.904 122.622 1.00 42.01 O ATOM 1271 H GLY A 132 23.719 146.629 120.252 1.00 0.00 H ATOM 1272 N MET A 133 25.198 149.309 121.247 1.00 41.01 N ATOM 1273 CA MET A 133 25.663 150.674 121.086 1.00 41.91 C ATOM 1274 C MET A 133 24.608 151.514 120.384 1.00 38.46 C ATOM 1275 O MET A 133 23.968 151.064 119.433 1.00 35.72 O ATOM 1276 CB MET A 133 26.961 150.701 120.287 1.00 47.55 C ATOM 1277 CG MET A 133 28.187 150.340 121.109 1.00 71.49 C ATOM 1278 SD MET A 133 28.448 151.452 122.516 1.00 73.84 S ATOM 1279 CE MET A 133 29.667 150.541 123.464 1.00 85.20 C ATOM 1280 H MET A 133 25.681 148.540 120.740 1.00 0.00 H ATOM 1281 N GLU A 134 24.430 152.737 120.865 1.00 38.98 N ATOM 1282 CA GLU A 134 23.494 153.654 120.236 1.00 36.18 C ATOM 1283 C GLU A 134 24.022 154.138 118.887 1.00 36.13 C ATOM 1284 O GLU A 134 25.202 154.463 118.733 1.00 39.07 O ATOM 1285 CB GLU A 134 23.233 154.841 121.150 1.00 37.99 C ATOM 1286 CG GLU A 134 22.076 155.655 120.682 1.00 34.83 C ATOM 1287 CD GLU A 134 21.715 156.774 121.630 1.00 39.13 C ATOM 1288 OE1 GLU A 134 22.329 156.889 122.729 1.00 39.51 O ATOM 1289 OE2 GLU A 134 20.816 157.553 121.264 1.00 39.98 O ATOM 1290 H GLU A 134 24.966 153.043 121.702 1.00 0.00 H ATOM 1291 N ALA A 135 23.134 154.210 117.902 1.00 33.04 N ATOM 1292 CA ALA A 135 23.555 154.555 116.553 1.00 34.51 C ATOM 1293 C ALA A 135 23.682 156.063 116.371 1.00 41.79 C ATOM 1294 O ALA A 135 22.744 156.688 115.864 1.00 38.10 O ATOM 1295 CB ALA A 135 22.579 153.980 115.536 1.00 36.34 C ATOM 1296 H ALA A 135 22.130 154.018 118.097 1.00 0.00 H TER 1297 ALA A 135 HETATM 1298 O HOH 1 -9.564 147.003 110.342 1.00 42.69 O HETATM 1299 O HOH 2 23.518 153.841 102.978 1.00 42.02 O HETATM 1300 O HOH 3 -4.616 163.907 117.292 1.00 50.89 O HETATM 1301 O HOH 4 2.873 165.393 94.440 1.00 47.86 O HETATM 1302 O HOH 5 4.116 149.492 94.747 1.00 36.08 O HETATM 1303 O HOH 6 18.974 145.290 104.494 1.00 32.56 O HETATM 1304 O HOH 7 26.017 156.395 109.687 1.00 44.52 O HETATM 1305 O HOH 8 2.223 162.048 93.686 1.00 38.68 O HETATM 1306 O HOH 9 -1.266 148.559 109.019 1.00 32.16 O HETATM 1307 O HOH 10 -8.149 151.525 109.997 1.00 42.13 O HETATM 1308 O HOH 11 19.522 154.530 99.710 1.00 40.47 O HETATM 1309 O HOH 12 -1.673 149.500 100.863 1.00 33.36 O HETATM 1310 O HOH 13 4.135 147.388 113.243 1.00 24.50 O HETATM 1311 O HOH 14 9.541 143.347 116.176 1.00 36.62 O HETATM 1312 O HOH 15 7.017 160.445 101.893 1.00 23.96 O HETATM 1313 O HOH 16 7.488 142.525 110.278 1.00 42.98 O HETATM 1314 O HOH 17 -0.171 166.172 114.970 1.00 39.38 O HETATM 1315 O HOH 18 23.811 151.830 124.561 1.00 39.29 O HETATM 1316 O HOH 19 0.740 152.805 101.057 1.00 27.08 O HETATM 1317 O HOH 20 -0.909 145.442 105.321 1.00 48.53 O HETATM 1318 O HOH 21 6.273 161.433 125.131 1.00 32.76 O HETATM 1319 O HOH 22 8.475 167.735 116.831 1.00 42.59 O HETATM 1320 O HOH 23 12.742 156.052 125.975 1.00 42.58 O HETATM 1321 O HOH 24 18.276 160.257 105.557 1.00 40.15 O HETATM 1322 O HOH 25 8.511 166.494 111.721 1.00 31.37 O HETATM 1323 O HOH 26 1.363 148.191 110.664 1.00 43.35 O HETATM 1324 O HOH 27 23.971 153.114 112.324 1.00 31.92 O HETATM 1325 O HOH 28 9.228 144.213 118.650 1.00 28.98 O HETATM 1326 O HOH 29 22.036 154.472 110.698 1.00 23.83 O HETATM 1327 O HOH 30 0.598 163.854 100.012 1.00 38.38 O HETATM 1328 O HOH 31 26.329 145.656 111.059 1.00 32.03 O HETATM 1329 O HOH 32 28.982 151.635 106.543 1.00 31.95 O HETATM 1330 O HOH 33 5.903 157.795 123.556 1.00 32.20 O HETATM 1331 O HOH 34 24.947 156.681 123.685 1.00 48.30 O HETATM 1332 O HOH 35 -4.114 148.036 121.181 1.00 40.29 O HETATM 1333 O HOH 36 7.237 154.937 93.369 1.00 30.00 O HETATM 1334 O HOH 37 20.093 162.178 114.869 1.00 35.24 O HETATM 1335 O HOH 38 15.940 144.639 110.135 1.00 30.53 O HETATM 1336 O HOH 39 -6.580 169.292 106.154 1.00 46.81 O HETATM 1337 O HOH 40 4.688 149.500 104.590 1.00 22.90 O HETATM 1338 O HOH 41 -0.590 158.512 104.696 1.00 21.67 O HETATM 1339 O HOH 42 -5.066 161.369 114.457 1.00 48.91 O HETATM 1340 O HOH 43 19.930 146.299 120.364 1.00 34.74 O HETATM 1341 O HOH 44 -6.852 153.566 112.965 1.00 46.11 O HETATM 1342 O HOH 45 6.868 144.234 115.932 1.00 39.08 O HETATM 1343 O HOH 46 -0.958 160.667 96.559 1.00 44.82 O HETATM 1344 O HOH 47 8.918 160.587 95.059 1.00 30.18 O HETATM 1345 O HOH 48 2.594 150.026 99.479 1.00 27.48 O HETATM 1346 O HOH 49 -20.425 164.583 108.327 1.00 36.77 O HETATM 1347 O HOH 50 -2.457 157.368 94.037 1.00 37.68 O HETATM 1348 O HOH 51 4.614 151.856 126.239 1.00 47.68 O HETATM 1349 O HOH 52 16.647 164.638 106.610 1.00 37.00 O HETATM 1350 O HOH 53 4.796 144.569 103.941 1.00 55.89 O HETATM 1351 O HOH 54 12.279 166.432 100.756 1.00 38.14 O HETATM 1352 O HOH 55 1.002 165.459 102.580 1.00 34.30 O HETATM 1353 O HOH 56 8.842 162.191 91.872 1.00 45.84 O HETATM 1354 O HOH 57 0.190 153.650 121.725 1.00 27.58 O HETATM 1355 O HOH 58 25.524 149.033 100.442 1.00 28.61 O HETATM 1356 O HOH 59 -2.988 144.348 104.159 1.00 41.37 O HETATM 1357 O HOH 60 10.409 164.971 110.537 1.00 26.52 O HETATM 1358 O HOH 61 4.289 160.134 100.262 1.00 24.09 O HETATM 1359 O HOH 62 -1.671 153.971 118.452 1.00 24.46 O HETATM 1360 O HOH 63 3.474 168.480 108.723 1.00 52.37 O HETATM 1361 O HOH 64 21.353 158.835 124.692 1.00 50.10 O HETATM 1362 O HOH 65 0.999 168.606 109.959 1.00 44.34 O HETATM 1363 O HOH 66 -2.527 145.880 101.823 1.00 27.41 O HETATM 1364 O HOH 67 4.743 155.959 126.860 1.00 32.39 O HETATM 1365 O HOH 68 -6.717 159.724 114.102 1.00 33.06 O HETATM 1366 O HOH 69 28.137 151.998 110.003 1.00 38.81 O HETATM 1367 O HOH 70 5.722 144.393 110.683 1.00 32.55 O HETATM 1368 O HOH 71 23.183 156.808 103.952 1.00 43.04 O HETATM 1369 O HOH 72 20.440 157.717 103.205 1.00 34.63 O HETATM 1370 O HOH 73 1.674 160.165 124.378 1.00 35.09 O HETATM 1371 O HOH 74 18.825 142.881 113.978 1.00 37.35 O HETATM 1372 O HOH 75 9.953 168.296 102.952 1.00 38.82 O HETATM 1373 O HOH 76 27.439 150.493 112.459 1.00 52.21 O HETATM 1374 O HOH 77 3.225 164.893 97.091 1.00 36.79 O HETATM 1375 O HOH 78 -12.907 154.466 113.645 1.00 42.52 O HETATM 1376 O HOH 79 12.011 169.940 101.649 1.00 34.23 O HETATM 1377 O HOH 80 3.953 140.329 120.932 1.00 43.63 O HETATM 1378 O HOH 81 4.906 167.995 102.143 1.00 43.63 O HETATM 1379 O HOH 82 -1.875 156.313 118.597 1.00 50.77 O HETATM 1380 O HOH 83 26.319 152.997 103.023 1.00 49.28 O HETATM 1381 O HOH 84 22.950 143.073 104.740 1.00 36.83 O HETATM 1382 O HOH 85 -7.601 158.035 115.807 1.00 43.99 O HETATM 1383 O HOH 86 -10.466 149.050 112.480 1.00 49.92 O HETATM 1384 O HOH 87 23.208 147.694 101.578 1.00 37.67 O HETATM 1385 O HOH 88 4.049 159.811 125.611 1.00 55.28 O HETATM 1386 O HOH 89 14.395 148.863 127.292 1.00 51.51 O HETATM 1387 O HOH 90 5.254 166.283 97.721 1.00 49.35 O HETATM 1388 O HOH 91 -0.188 158.614 125.093 1.00 41.60 O HETATM 1389 O HOH 92 8.765 168.206 113.943 1.00 44.51 O HETATM 1390 O HOH 93 16.353 142.804 107.906 1.00 42.45 O HETATM 1391 O HOH 94 -1.795 156.992 124.015 1.00 42.25 O HETATM 1392 O HOH 95 0.027 150.787 122.516 1.00 44.64 O HETATM 1393 O HOH 96 7.891 170.093 119.798 1.00 48.23 O HETATM 1394 O HOH 97 -2.260 154.842 122.321 1.00 37.80 O HETATM 1395 O HOH 98 -1.540 145.836 107.939 1.00 43.12 O HETATM 1396 O HOH 99 16.612 162.435 105.032 1.00 48.01 O HETATM 1397 O HOH 100 -3.303 152.750 120.400 1.00 36.50 O HETATM 1398 O HOH 101 4.976 144.715 113.446 1.00 39.60 O HETATM 1399 O HOH 102 -1.378 154.615 100.109 1.00 27.77 O HETATM 1400 O HOH 103 -8.380 156.353 108.120 1.00 31.84 O HETATM 1401 O HOH 104 -1.490 151.814 102.339 1.00 23.74 O HETATM 1402 O HOH 105 -3.803 158.835 97.587 1.00 48.74 O HETATM 1403 O HOH 106 -3.870 148.270 101.359 1.00 32.29 O HETATM 1404 O HOH 107 -10.396 150.981 103.960 1.00 37.78 O HETATM 1405 O HOH 108 -10.863 158.058 107.734 1.00 48.83 O HETATM 1406 N ASP A 109 -5.305 151.597 101.680 1.00 0.24 N HETATM 1407 CA ASP A 109 -6.716 151.954 101.493 1.00 0.08 C HETATM 1408 C ASP A 109 -7.244 152.519 102.784 1.00 0.23 C HETATM 1409 O ASP A 109 -6.767 152.143 103.844 1.00 -0.39 O HETATM 1410 N ASP A 109 -8.208 153.420 102.681 1.00 -0.26 N HETATM 1411 CA ASP A 109 -8.964 153.896 103.837 1.00 0.12 C HETATM 1412 C ASP A 109 -8.322 155.049 104.591 1.00 0.20 C HETATM 1413 O ASP A 109 -8.849 155.480 105.614 1.00 -0.39 O HETATM 1414 N ASP A 109 -7.200 155.554 104.076 1.00 -0.26 N HETATM 1415 CA ASP A 109 -6.448 156.617 104.736 1.00 0.16 C HETATM 1416 CB ASP A 109 -5.076 156.742 104.102 1.00 0.13 C HETATM 1417 CG2 ASP A 109 -4.233 157.739 104.898 1.00 -0.03 C HETATM 1418 H13 ASP A 109 -3.238 157.828 104.437 1.00 0.03 H HETATM 1419 H14 ASP A 109 -4.126 157.384 105.934 1.00 0.03 H HETATM 1420 H15 ASP A 109 -4.728 158.721 104.896 1.00 0.03 H HETATM 1421 OG1 ASP A 109 -4.449 155.455 104.172 1.00 -0.27 O HETATM 1422 P ASP A 109 -4.111 154.770 102.734 1.00 0.20 P HETATM 1423 O1P ASP A 109 -5.349 154.723 101.893 1.00 -0.55 O HETATM 1424 O2P ASP A 109 -2.912 155.570 102.097 1.00 -0.55 O HETATM 1425 O3P ASP A 109 -3.631 153.314 103.155 1.00 -0.55 O HETATM 1426 H12 ASP A 109 -5.166 157.071 103.056 1.00 0.07 H HETATM 1427 C ASP A 109 -7.193 157.943 104.650 1.00 0.21 C HETATM 1428 O ASP A 109 -7.796 158.244 103.635 1.00 -0.39 O HETATM 1429 N ASP A 109 -7.190 158.721 105.732 1.00 -0.26 N HETATM 1430 CA ASP A 109 -7.702 160.084 105.694 1.00 0.13 C HETATM 1431 C ASP A 109 -6.657 160.956 104.992 1.00 0.20 C HETATM 1432 O ASP A 109 -5.553 161.081 105.501 1.00 -0.39 O HETATM 1433 N ASP A 109 -6.999 161.581 103.859 1.00 -0.26 N HETATM 1434 CA ASP A 109 -5.997 162.149 102.958 1.00 0.13 C HETATM 1435 C ASP A 109 -6.105 163.665 102.898 1.00 0.20 C HETATM 1436 O ASP A 109 -7.206 164.217 102.799 1.00 -0.39 O HETATM 1437 N ASP A 109 -4.956 164.334 102.952 1.00 -0.27 N HETATM 1438 CA ASP A 109 -4.936 165.799 102.945 1.00 0.09 C HETATM 1439 C ASP A 109 -5.317 166.348 101.571 1.00 0.06 C HETATM 1440 O ASP A 109 -5.021 165.743 100.542 1.00 -0.57 O HETATM 1441 OXT ASP A 109 -5.929 167.409 101.459 1.00 -0.57 O HETATM 1442 CB ASP A 109 -3.554 166.329 103.363 1.00 -0.01 C HETATM 1443 CG ASP A 109 -3.495 167.854 103.452 1.00 -0.02 C HETATM 1444 CD ASP A 109 -2.136 168.354 103.902 1.00 0.06 C HETATM 1445 NE ASP A 109 -2.128 168.681 105.324 1.00 -0.27 N HETATM 1446 CZ ASP A 109 -1.125 169.291 105.952 1.00 0.29 C HETATM 1447 NH1 ASP A 109 -0.035 169.652 105.282 1.00 -0.28 N HETATM 1448 H47 ASP A 109 0.738 170.124 105.772 1.00 0.26 H HETATM 1449 H48 ASP A 109 0.036 169.460 104.273 1.00 0.26 H HETATM 1450 NH2 ASP A 109 -1.213 169.548 107.256 1.00 -0.28 N HETATM 1451 H49 ASP A 109 -2.055 169.270 107.780 1.00 0.26 H HETATM 1452 H50 ASP A 109 -0.439 170.024 107.740 1.00 0.26 H HETATM 1453 H46 ASP A 109 -2.955 168.422 105.880 1.00 0.26 H HETATM 1454 H44 ASP A 109 -1.879 169.256 103.327 1.00 0.07 H HETATM 1455 H45 ASP A 109 -1.387 167.572 103.711 1.00 0.07 H HETATM 1456 H42 ASP A 109 -4.253 168.196 104.172 1.00 0.03 H HETATM 1457 H43 ASP A 109 -3.716 168.275 102.460 1.00 0.03 H HETATM 1458 H40 ASP A 109 -2.812 165.993 102.623 1.00 0.03 H HETATM 1459 H41 ASP A 109 -3.303 165.911 104.349 1.00 0.03 H HETATM 1460 H39 ASP A 109 -5.678 166.155 103.675 1.00 0.07 H HETATM 1461 H38 ASP A 109 -4.094 163.830 102.998 1.00 0.19 H HETATM 1462 CB ASP A 109 -6.142 161.585 101.546 1.00 -0.01 C HETATM 1463 CG ASP A 109 -6.083 160.085 101.482 1.00 -0.04 C HETATM 1464 CD ASP A 109 -6.270 159.580 100.075 1.00 -0.01 C HETATM 1465 CE ASP A 109 -6.160 158.074 100.020 1.00 -0.04 C HETATM 1466 NZ ASP A 109 -6.120 157.575 98.623 1.00 0.22 N HETATM 1467 H35 ASP A 109 -6.047 156.570 98.627 1.00 0.20 H HETATM 1468 H36 ASP A 109 -5.322 157.968 98.148 1.00 0.20 H HETATM 1469 H37 ASP A 109 -6.964 157.848 98.144 1.00 0.20 H HETATM 1470 H33 ASP A 109 -7.030 157.635 100.530 1.00 0.08 H HETATM 1471 H34 ASP A 109 -5.238 157.765 100.535 1.00 0.08 H HETATM 1472 H31 ASP A 109 -5.496 160.021 99.429 1.00 0.03 H HETATM 1473 H32 ASP A 109 -7.264 159.881 99.714 1.00 0.03 H HETATM 1474 H29 ASP A 109 -6.878 159.669 102.119 1.00 0.03 H HETATM 1475 H30 ASP A 109 -5.103 159.750 101.854 1.00 0.03 H HETATM 1476 H27 ASP A 109 -5.329 161.991 100.926 1.00 0.03 H HETATM 1477 H28 ASP A 109 -7.111 161.911 101.140 1.00 0.03 H HETATM 1478 H26 ASP A 109 -5.001 161.883 103.342 1.00 0.08 H HETATM 1479 H25 ASP A 109 -7.967 161.662 103.622 1.00 0.19 H HETATM 1480 CB ASP A 109 -7.978 160.577 107.124 1.00 -0.00 C HETATM 1481 CG ASP A 109 -8.389 162.022 107.247 1.00 -0.00 C HETATM 1482 SD ASP A 109 -8.880 162.418 108.942 1.00 -0.16 S HETATM 1483 CE ASP A 109 -9.258 164.159 108.818 1.00 -0.02 C HETATM 1484 H22 ASP A 109 -9.577 164.536 109.801 1.00 0.03 H HETATM 1485 H23 ASP A 109 -10.067 164.307 108.088 1.00 0.03 H HETATM 1486 H24 ASP A 109 -8.362 164.706 108.489 1.00 0.03 H HETATM 1487 H20 ASP A 109 -9.238 162.213 106.573 1.00 0.04 H HETATM 1488 H21 ASP A 109 -7.542 162.662 106.960 1.00 0.04 H HETATM 1489 H18 ASP A 109 -7.061 160.435 107.714 1.00 0.03 H HETATM 1490 H19 ASP A 109 -8.784 159.959 107.545 1.00 0.03 H HETATM 1491 H17 ASP A 109 -8.641 160.110 105.121 1.00 0.08 H HETATM 1492 H16 ASP A 109 -6.827 158.360 106.591 1.00 0.19 H HETATM 1493 H11 ASP A 109 -6.325 156.354 105.797 1.00 0.08 H HETATM 1494 H10 ASP A 109 -6.862 155.192 103.207 1.00 0.19 H HETATM 1495 H8 ASP A 109 -9.084 153.055 104.536 1.00 0.08 H HETATM 1496 H9 ASP A 109 -9.953 154.226 103.486 1.00 0.08 H HETATM 1497 H7 ASP A 109 -8.427 153.789 101.778 1.00 0.19 H HETATM 1498 CB ASP A 109 -7.561 150.744 101.108 1.00 0.06 C HETATM 1499 CG ASP A 109 -7.465 149.630 102.134 1.00 0.04 C HETATM 1500 OD1 ASP A 109 -8.504 149.185 102.648 1.00 -0.57 O HETATM 1501 OD2 ASP A 109 -6.324 149.205 102.434 1.00 -0.57 O HETATM 1502 H5 ASP A 109 -7.212 150.363 100.137 1.00 0.05 H HETATM 1503 H6 ASP A 109 -8.612 151.058 101.023 1.00 0.05 H HETATM 1504 H4 ASP A 109 -6.792 152.712 100.699 1.00 0.11 H HETATM 1505 H1 ASP A 109 -4.938 151.217 100.822 1.00 0.20 H HETATM 1506 H2 ASP A 109 -5.227 150.909 102.413 1.00 0.20 H HETATM 1507 H3 ASP A 109 -4.781 152.420 101.934 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1406 1407 1505 1506 1507 CONECT 1407 1406 1408 1498 1504 CONECT 1408 1407 1409 1410 CONECT 1409 1408 CONECT 1410 1408 1411 1497 CONECT 1411 1410 1412 1495 1496 CONECT 1412 1411 1413 1414 CONECT 1413 1412 CONECT 1414 1412 1415 1494 CONECT 1415 1414 1416 1427 1493 CONECT 1416 1415 1417 1421 1426 CONECT 1417 1416 1418 1419 1420 CONECT 1418 1417 CONECT 1419 1417 CONECT 1420 1417 CONECT 1421 1416 1422 CONECT 1422 1421 1423 1424 1425 CONECT 1423 1422 CONECT 1424 1422 CONECT 1425 1422 CONECT 1426 1416 CONECT 1427 1415 1428 1429 CONECT 1428 1427 CONECT 1429 1427 1430 1492 CONECT 1430 1429 1431 1480 1491 CONECT 1431 1430 1432 1433 CONECT 1432 1431 CONECT 1433 1431 1434 1479 CONECT 1434 1433 1435 1462 1478 CONECT 1435 1434 1436 1437 CONECT 1436 1435 CONECT 1437 1435 1438 1461 CONECT 1438 1437 1439 1442 1460 CONECT 1439 1438 1440 1441 CONECT 1440 1439 CONECT 1441 1439 CONECT 1442 1438 1443 1458 1459 CONECT 1443 1442 1444 1456 1457 CONECT 1444 1443 1445 1454 1455 CONECT 1445 1444 1446 1453 CONECT 1446 1445 1447 1450 CONECT 1447 1446 1448 1449 CONECT 1448 1447 CONECT 1449 1447 CONECT 1450 1446 1451 1452 CONECT 1451 1450 CONECT 1452 1450 CONECT 1453 1445 CONECT 1454 1444 CONECT 1455 1444 CONECT 1456 1443 CONECT 1457 1443 CONECT 1458 1442 CONECT 1459 1442 CONECT 1460 1438 CONECT 1461 1437 CONECT 1462 1434 1463 1476 1477 CONECT 1463 1462 1464 1474 1475 CONECT 1464 1463 1465 1472 1473 CONECT 1465 1464 1466 1470 1471 CONECT 1466 1465 1467 1468 1469 CONECT 1467 1466 CONECT 1468 1466 CONECT 1469 1466 CONECT 1470 1465 CONECT 1471 1465 CONECT 1472 1464 CONECT 1473 1464 CONECT 1474 1463 CONECT 1475 1463 CONECT 1476 1462 CONECT 1477 1462 CONECT 1478 1434 CONECT 1479 1433 CONECT 1480 1430 1481 1489 1490 CONECT 1481 1480 1482 1487 1488 CONECT 1482 1481 1483 CONECT 1483 1482 1484 1485 1486 CONECT 1484 1483 CONECT 1485 1483 CONECT 1486 1483 CONECT 1487 1481 CONECT 1488 1481 CONECT 1489 1480 CONECT 1490 1480 CONECT 1491 1430 CONECT 1492 1429 CONECT 1493 1415 CONECT 1494 1414 CONECT 1495 1411 CONECT 1496 1411 CONECT 1497 1410 CONECT 1498 1407 1499 1502 1503 CONECT 1499 1498 1500 1501 CONECT 1500 1499 CONECT 1501 1499 CONECT 1502 1498 CONECT 1503 1498 CONECT 1504 1407 CONECT 1505 1406 CONECT 1506 1406 CONECT 1507 1406 MASTER 0 0 0 0 0 0 0 0 1506 1 105 11 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: 6ar2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
6ar2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SLMAP FHA
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Kd=0.393uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Elife Vol. 6: pp. -
Ligand Properties
Formula
C
2
7
H
5
5
N
1
0
O
1
3
PS
Molecular Weight
790.824
Exact Mass
790.341
No. of atoms
107
No. of bonds
106
Polar Surface Area
450.2
LOGP Value
-6.05 (
Computed with XLOGP3
)
-5.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 29
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 0
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)CCCC[NH3+])NC(=O)[C@H]([C@H](OP(O)(O)O)C)NC(=O)CNC(=O)[C@H](CC(=O)O)[NH3+]
InChI String
InChI=1S/C27H53N10O13PS/c1-14(50-51(47,48)49)21(37-19(38)13-33-22(41)15(29)12-20(39)40)25(44)35-17(8-11-52-2)24(43)34-16(6-3-4-9-28)23(42)36-18(26(45)46)7-5-10-32-27(30)31/h14-18,21,47-49,51H,3-13,28-29H2,1-2H3,(H,33,41)(H,34,43)(H,35,44)(H,36,42)(H,37,38)(H,39,40)(H,45,46)(H4,30,31,32)/p+3/t14-,15+,16+,17+,18+,21+/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):
Q13188
Q14BN4
Entrez Gene ID
NCBI Entrez Gene ID:
6788
7871
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