Browse entries in the PDBbind-CN Database
HEADER 6EEB_COMPLEX COMPND 6EEB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 142 THR GLU GLU GLN ILE ALA GLU PHE LYS GLU ALA PHE SER SEQRES 2 A 142 LEU PHE ASP LYS ASP GLY ASP GLY THR ILE THR THR LYS SEQRES 3 A 142 GLU LEU GLY THR VAL MET ARG SER LEU GLY GLN ASN PRO SEQRES 4 A 142 THR GLU ALA GLU LEU GLN ASP MET ILE ASN GLU VAL ASP SEQRES 5 A 142 ALA ASP GLY ASN GLY THR ILE ASP PHE PRO GLU PHE LEU SEQRES 6 A 142 THR MET MET ALA ARG LYS MET LYS ASP THR ASP SER GLU SEQRES 7 A 142 GLU GLU ILE ARG GLU ALA PHE ARG VAL PHE ASP LYS ASP SEQRES 8 A 142 GLY ASN GLY TYR ILE SER ALA ALA GLU LEU ARG HIS VAL SEQRES 9 A 142 MET THR ASN LEU GLY GLU LYS LEU THR ASP GLU GLU VAL SEQRES 10 A 142 ASP GLU MET ILE ARG GLU ALA ASP ILE ASP GLY ASP GLY SEQRES 11 A 142 GLN VAL ASN TYR GLU GLU PHE VAL GLN MET MET THR HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET ZN A 5 1 HET J A 6P 49 ATOM 1 N THR A 6 27.795 56.550 128.081 1.00 87.77 N ATOM 2 CA THR A 6 28.422 55.412 128.746 1.00 90.95 C ATOM 3 C THR A 6 27.330 54.584 129.415 1.00 86.96 C ATOM 4 O THR A 6 26.265 55.116 129.730 1.00 89.48 O ATOM 5 CB THR A 6 29.444 55.864 129.804 1.00 97.86 C ATOM 6 OG1 THR A 6 30.279 56.889 129.253 1.00103.26 O ATOM 7 CG2 THR A 6 30.334 54.692 130.240 1.00 95.78 C ATOM 8 HG1 THR A 6 30.936 57.179 129.934 1.00 0.00 H ATOM 9 HN3 THR A 6 27.291 57.127 128.785 1.00 0.00 H ATOM 10 HN2 THR A 6 27.122 56.205 127.367 1.00 0.00 H ATOM 11 HN1 THR A 6 28.527 57.126 127.619 1.00 0.00 H ATOM 12 N GLU A 7 27.587 53.292 129.639 1.00 84.93 N ATOM 13 CA GLU A 7 26.585 52.466 130.299 1.00 88.74 C ATOM 14 C GLU A 7 26.754 52.506 131.815 1.00 87.20 C ATOM 15 O GLU A 7 25.766 52.494 132.555 1.00 86.86 O ATOM 16 CB GLU A 7 26.624 51.022 129.779 1.00 97.50 C ATOM 17 CG GLU A 7 27.950 50.268 129.835 1.00105.97 C ATOM 18 CD GLU A 7 27.730 48.773 130.062 1.00107.70 C ATOM 19 OE1 GLU A 7 26.872 48.421 130.901 1.00107.14 O ATOM 20 OE2 GLU A 7 28.374 47.951 129.371 1.00108.83 O ATOM 21 H GLU A 7 28.495 52.879 129.345 1.00 0.00 H ATOM 22 N GLU A 8 27.996 52.560 132.301 1.00 87.44 N ATOM 23 CA GLU A 8 28.171 52.666 133.746 1.00 84.77 C ATOM 24 C GLU A 8 28.006 54.089 134.259 1.00 78.58 C ATOM 25 O GLU A 8 27.776 54.264 135.459 1.00 80.31 O ATOM 26 CB GLU A 8 29.524 52.114 134.206 1.00 87.28 C ATOM 27 CG GLU A 8 29.369 50.814 134.997 1.00 92.83 C ATOM 28 CD GLU A 8 29.214 51.030 136.508 1.00102.29 C ATOM 29 OE1 GLU A 8 29.040 50.026 137.235 1.00103.06 O ATOM 30 OE2 GLU A 8 29.262 52.194 136.972 1.00103.57 O ATOM 31 H GLU A 8 28.819 52.527 131.666 1.00 0.00 H ATOM 32 N GLN A 9 28.114 55.106 133.398 1.00 77.02 N ATOM 33 CA GLN A 9 27.666 56.436 133.804 1.00 75.79 C ATOM 34 C GLN A 9 26.182 56.420 134.143 1.00 74.20 C ATOM 35 O GLN A 9 25.740 57.098 135.079 1.00 70.74 O ATOM 36 CB GLN A 9 27.956 57.467 132.710 1.00 76.71 C ATOM 37 CG GLN A 9 29.419 57.871 132.579 1.00 81.72 C ATOM 38 CD GLN A 9 29.598 59.351 132.270 1.00 90.62 C ATOM 39 OE1 GLN A 9 28.826 60.198 132.730 1.00 89.79 O ATOM 40 NE2 GLN A 9 30.608 59.665 131.465 1.00 94.29 N ATOM 41 HE22 GLN A 9 31.234 58.919 131.101 1.00 0.00 H ATOM 42 HE21 GLN A 9 30.772 60.657 131.200 1.00 0.00 H ATOM 43 H GLN A 9 28.512 54.952 132.450 1.00 0.00 H ATOM 44 N ILE A 10 25.400 55.637 133.400 1.00 68.19 N ATOM 45 CA ILE A 10 23.987 55.468 133.716 1.00 63.66 C ATOM 46 C ILE A 10 23.823 54.719 135.032 1.00 60.57 C ATOM 47 O ILE A 10 23.022 55.108 135.889 1.00 61.51 O ATOM 48 CB ILE A 10 23.266 54.744 132.564 1.00 59.95 C ATOM 49 CG1 ILE A 10 23.366 55.568 131.277 1.00 62.91 C ATOM 50 CG2 ILE A 10 21.814 54.446 132.928 1.00 51.86 C ATOM 51 CD1 ILE A 10 22.388 56.712 131.208 1.00 60.85 C ATOM 52 H ILE A 10 25.804 55.139 132.582 1.00 0.00 H ATOM 53 N ALA A 11 24.581 53.632 135.211 1.00 58.20 N ATOM 54 CA ALA A 11 24.443 52.827 136.422 1.00 55.79 C ATOM 55 C ALA A 11 24.807 53.628 137.670 1.00 51.26 C ATOM 56 O ALA A 11 24.173 53.472 138.720 1.00 46.45 O ATOM 57 CB ALA A 11 25.305 51.567 136.320 1.00 56.80 C ATOM 58 H ALA A 11 25.273 53.358 134.484 1.00 0.00 H ATOM 59 N GLU A 12 25.847 54.465 137.581 1.00 54.17 N ATOM 60 CA GLU A 12 26.108 55.456 138.622 1.00 62.52 C ATOM 61 C GLU A 12 24.873 56.303 138.888 1.00 58.38 C ATOM 62 O GLU A 12 24.522 56.569 140.043 1.00 56.85 O ATOM 63 CB GLU A 12 27.266 56.368 138.208 1.00 70.44 C ATOM 64 CG GLU A 12 28.668 55.928 138.606 1.00 79.71 C ATOM 65 CD GLU A 12 29.727 56.877 138.050 1.00 85.97 C ATOM 66 OE1 GLU A 12 30.909 56.783 138.454 1.00 87.51 O ATOM 67 OE2 GLU A 12 29.365 57.723 137.203 1.00 86.78 O ATOM 68 H GLU A 12 26.480 54.409 136.757 1.00 0.00 H ATOM 69 N PHE A 13 24.195 56.727 137.820 1.00 58.35 N ATOM 70 CA PHE A 13 23.096 57.675 137.950 1.00 53.00 C ATOM 71 C PHE A 13 21.874 57.027 138.583 1.00 43.29 C ATOM 72 O PHE A 13 21.146 57.682 139.337 1.00 39.76 O ATOM 73 CB PHE A 13 22.749 58.267 136.581 1.00 51.63 C ATOM 74 CG PHE A 13 23.769 59.250 136.073 1.00 51.18 C ATOM 75 CD1 PHE A 13 24.576 59.949 136.956 1.00 51.41 C ATOM 76 CD2 PHE A 13 23.925 59.472 134.716 1.00 53.77 C ATOM 77 CE1 PHE A 13 25.521 60.852 136.498 1.00 54.88 C ATOM 78 CE2 PHE A 13 24.871 60.374 134.250 1.00 55.63 C ATOM 79 CZ PHE A 13 25.666 61.067 135.143 1.00 53.63 C ATOM 80 H PHE A 13 24.456 56.374 136.877 1.00 0.00 H ATOM 81 N LYS A 14 21.621 55.746 138.293 1.00 40.83 N ATOM 82 CA LYS A 14 20.515 55.099 138.990 1.00 44.73 C ATOM 83 C LYS A 14 20.866 54.842 140.450 1.00 39.81 C ATOM 84 O LYS A 14 19.971 54.811 141.304 1.00 43.61 O ATOM 85 CB LYS A 14 20.099 53.806 138.282 1.00 50.50 C ATOM 86 CG LYS A 14 18.854 53.146 138.894 1.00 57.63 C ATOM 87 CD LYS A 14 17.717 54.160 139.130 1.00 66.21 C ATOM 88 CE LYS A 14 16.334 53.502 139.159 1.00 66.11 C ATOM 89 NZ LYS A 14 15.212 54.459 138.892 1.00 65.24 N ATOM 90 HZ1 LYS A 14 15.217 55.207 139.614 1.00 0.00 H ATOM 91 HZ2 LYS A 14 15.336 54.883 137.951 1.00 0.00 H ATOM 92 HZ3 LYS A 14 14.307 53.948 138.927 1.00 0.00 H ATOM 93 H LYS A 14 22.193 55.229 137.595 1.00 0.00 H ATOM 94 N GLU A 15 22.155 54.669 140.759 1.00 40.16 N ATOM 95 CA GLU A 15 22.579 54.604 142.156 1.00 43.34 C ATOM 96 C GLU A 15 22.278 55.917 142.870 1.00 42.09 C ATOM 97 O GLU A 15 21.725 55.929 143.980 1.00 39.52 O ATOM 98 CB GLU A 15 24.072 54.305 142.241 1.00 50.65 C ATOM 99 CG GLU A 15 24.480 52.870 142.064 1.00 60.78 C ATOM 100 CD GLU A 15 25.969 52.690 142.316 1.00 73.71 C ATOM 101 OE1 GLU A 15 26.341 52.245 143.425 1.00 74.00 O ATOM 102 OE2 GLU A 15 26.771 53.020 141.412 1.00 77.28 O ATOM 103 H GLU A 15 22.861 54.580 140.000 1.00 0.00 H ATOM 104 N ALA A 16 22.669 57.033 142.249 1.00 38.15 N ATOM 105 CA ALA A 16 22.386 58.351 142.807 1.00 35.06 C ATOM 106 C ALA A 16 20.891 58.544 143.009 1.00 33.13 C ATOM 107 O ALA A 16 20.446 58.925 144.096 1.00 36.86 O ATOM 108 CB ALA A 16 22.954 59.429 141.887 1.00 34.99 C ATOM 109 H ALA A 16 23.186 56.961 141.349 1.00 0.00 H ATOM 110 N PHE A 17 20.099 58.258 141.974 1.00 34.31 N ATOM 111 CA PHE A 17 18.650 58.418 142.058 1.00 28.47 C ATOM 112 C PHE A 17 18.067 57.671 143.252 1.00 31.83 C ATOM 113 O PHE A 17 17.252 58.222 144.006 1.00 31.63 O ATOM 114 CB PHE A 17 18.004 57.940 140.754 1.00 30.37 C ATOM 115 CG PHE A 17 16.522 58.159 140.701 1.00 30.54 C ATOM 116 CD1 PHE A 17 16.020 59.380 140.325 1.00 24.91 C ATOM 117 CD2 PHE A 17 15.631 57.144 141.024 1.00 32.65 C ATOM 118 CE1 PHE A 17 14.660 59.611 140.282 1.00 30.95 C ATOM 119 CE2 PHE A 17 14.262 57.370 140.985 1.00 35.12 C ATOM 120 CZ PHE A 17 13.778 58.629 140.611 1.00 28.29 C ATOM 121 H PHE A 17 20.523 57.914 141.089 1.00 0.00 H ATOM 122 N SER A 18 18.481 56.416 143.450 1.00 37.06 N ATOM 123 CA SER A 18 17.944 55.620 144.549 1.00 40.95 C ATOM 124 C SER A 18 18.282 56.238 145.900 1.00 40.95 C ATOM 125 O SER A 18 17.447 56.253 146.813 1.00 40.52 O ATOM 126 CB SER A 18 18.481 54.191 144.457 1.00 47.82 C ATOM 127 OG SER A 18 17.811 53.489 143.420 1.00 53.44 O ATOM 128 HG SER A 18 17.963 53.952 142.558 1.00 0.00 H ATOM 129 H SER A 18 19.193 56.002 142.815 1.00 0.00 H ATOM 130 N LEU A 19 19.503 56.750 146.049 1.00 38.19 N ATOM 131 CA LEU A 19 19.865 57.433 147.285 1.00 47.75 C ATOM 132 C LEU A 19 18.955 58.625 147.538 1.00 47.98 C ATOM 133 O LEU A 19 18.414 58.788 148.637 1.00 47.34 O ATOM 134 CB LEU A 19 21.323 57.873 147.228 1.00 53.25 C ATOM 135 CG LEU A 19 22.324 56.743 147.449 1.00 55.68 C ATOM 136 CD1 LEU A 19 23.715 57.321 147.589 1.00 56.64 C ATOM 137 CD2 LEU A 19 21.947 55.934 148.687 1.00 60.35 C ATOM 138 H LEU A 19 20.200 56.662 145.282 1.00 0.00 H ATOM 139 N PHE A 20 18.759 59.464 146.516 1.00 40.93 N ATOM 140 CA PHE A 20 17.944 60.663 146.691 1.00 43.74 C ATOM 141 C PHE A 20 16.491 60.298 146.951 1.00 45.02 C ATOM 142 O PHE A 20 15.809 60.954 147.743 1.00 47.03 O ATOM 143 CB PHE A 20 18.052 61.570 145.458 1.00 40.21 C ATOM 144 CG PHE A 20 19.457 62.040 145.157 1.00 46.11 C ATOM 145 CD1 PHE A 20 20.550 61.573 145.884 1.00 54.40 C ATOM 146 CD2 PHE A 20 19.686 62.923 144.128 1.00 49.78 C ATOM 147 CE1 PHE A 20 21.832 61.991 145.594 1.00 58.67 C ATOM 148 CE2 PHE A 20 20.966 63.351 143.834 1.00 55.88 C ATOM 149 CZ PHE A 20 22.041 62.878 144.564 1.00 56.92 C ATOM 150 H PHE A 20 19.189 59.262 145.591 1.00 0.00 H ATOM 151 N ASP A 21 16.003 59.251 146.288 1.00 42.17 N ATOM 152 CA ASP A 21 14.628 58.802 146.456 1.00 36.90 C ATOM 153 C ASP A 21 14.582 57.976 147.737 1.00 44.83 C ATOM 154 O ASP A 21 14.631 56.739 147.732 1.00 37.02 O ATOM 155 CB ASP A 21 14.168 58.029 145.228 1.00 38.43 C ATOM 156 CG ASP A 21 12.828 57.379 145.428 1.00 42.65 C ATOM 157 OD1 ASP A 21 12.055 57.880 146.284 1.00 37.35 O ATOM 158 OD2 ASP A 21 12.559 56.372 144.733 1.00 39.92 O ATOM 159 H ASP A 21 16.623 58.738 145.630 1.00 0.00 H ATOM 160 N LYS A 22 14.497 58.707 148.855 1.00 43.68 N ATOM 161 CA LYS A 22 14.568 58.126 150.193 1.00 53.45 C ATOM 162 C LYS A 22 13.574 56.993 150.373 1.00 51.13 C ATOM 163 O LYS A 22 13.920 55.922 150.888 1.00 49.40 O ATOM 164 CB LYS A 22 14.285 59.208 151.237 1.00 62.42 C ATOM 165 CG LYS A 22 15.455 60.057 151.661 1.00 75.76 C ATOM 166 CD LYS A 22 16.291 59.394 152.741 1.00 81.78 C ATOM 167 CE LYS A 22 17.336 60.373 153.264 1.00 83.39 C ATOM 168 NZ LYS A 22 18.443 60.596 152.290 1.00 79.22 N ATOM 169 HZ1 LYS A 22 18.918 59.692 152.094 1.00 0.00 H ATOM 170 HZ2 LYS A 22 18.053 60.983 151.407 1.00 0.00 H ATOM 171 HZ3 LYS A 22 19.127 61.269 152.692 1.00 0.00 H ATOM 172 H LYS A 22 14.375 59.736 148.767 1.00 0.00 H ATOM 173 N ASP A 23 12.317 57.235 150.001 1.00 47.85 N ATOM 174 CA ASP A 23 11.242 56.298 150.293 1.00 49.18 C ATOM 175 C ASP A 23 11.023 55.289 149.180 1.00 44.00 C ATOM 176 O ASP A 23 10.104 54.468 149.276 1.00 47.43 O ATOM 177 CB ASP A 23 9.944 57.057 150.605 1.00 51.77 C ATOM 178 CG ASP A 23 9.385 57.800 149.409 1.00 56.56 C ATOM 179 OD1 ASP A 23 10.055 57.857 148.357 1.00 56.43 O ATOM 180 OD2 ASP A 23 8.265 58.341 149.531 1.00 52.82 O ATOM 181 H ASP A 23 12.099 58.114 149.490 1.00 0.00 H ATOM 182 N GLY A 24 11.849 55.318 148.140 1.00 37.22 N ATOM 183 CA GLY A 24 11.816 54.283 147.128 1.00 41.70 C ATOM 184 C GLY A 24 10.609 54.278 146.219 1.00 43.74 C ATOM 185 O GLY A 24 10.415 53.302 145.494 1.00 39.00 O ATOM 186 H GLY A 24 12.531 56.098 148.051 1.00 0.00 H ATOM 187 N ASP A 25 9.797 55.338 146.198 1.00 42.54 N ATOM 188 CA ASP A 25 8.593 55.291 145.378 1.00 38.29 C ATOM 189 C ASP A 25 8.854 55.637 143.920 1.00 36.97 C ATOM 190 O ASP A 25 7.893 55.798 143.163 1.00 41.51 O ATOM 191 CB ASP A 25 7.491 56.188 145.967 1.00 41.05 C ATOM 192 CG ASP A 25 7.768 57.685 145.821 1.00 45.48 C ATOM 193 OD1 ASP A 25 8.933 58.106 145.662 1.00 40.89 O ATOM 194 OD2 ASP A 25 6.789 58.456 145.902 1.00 51.20 O ATOM 195 H ASP A 25 10.021 56.185 146.759 1.00 0.00 H ATOM 196 N GLY A 26 10.120 55.720 143.509 1.00 33.48 N ATOM 197 CA GLY A 26 10.470 56.019 142.135 1.00 35.63 C ATOM 198 C GLY A 26 10.396 57.481 141.736 1.00 40.04 C ATOM 199 O GLY A 26 10.588 57.785 140.553 1.00 32.26 O ATOM 200 H GLY A 26 10.883 55.565 144.199 1.00 0.00 H ATOM 201 N THR A 27 10.106 58.392 142.675 1.00 38.26 N ATOM 202 CA THR A 27 10.009 59.825 142.404 1.00 38.24 C ATOM 203 C THR A 27 10.831 60.611 143.422 1.00 38.68 C ATOM 204 O THR A 27 10.967 60.204 144.575 1.00 36.77 O ATOM 205 CB THR A 27 8.554 60.338 142.474 1.00 41.50 C ATOM 206 OG1 THR A 27 8.232 60.667 143.833 1.00 50.37 O ATOM 207 CG2 THR A 27 7.576 59.290 141.971 1.00 47.32 C ATOM 208 HG1 THR A 27 8.327 59.860 144.398 1.00 0.00 H ATOM 209 H THR A 27 9.941 58.062 143.647 1.00 0.00 H ATOM 210 N ILE A 28 11.359 61.757 143.002 1.00 30.14 N ATOM 211 CA ILE A 28 12.073 62.656 143.900 1.00 25.93 C ATOM 212 C ILE A 28 11.212 63.889 144.109 1.00 31.07 C ATOM 213 O ILE A 28 10.871 64.580 143.143 1.00 36.37 O ATOM 214 CB ILE A 28 13.452 63.036 143.348 1.00 29.44 C ATOM 215 CG1 ILE A 28 14.331 61.793 143.264 1.00 30.30 C ATOM 216 CG2 ILE A 28 14.120 64.106 144.246 1.00 26.07 C ATOM 217 CD1 ILE A 28 15.679 62.074 142.658 1.00 33.09 C ATOM 218 H ILE A 28 11.259 62.020 142.001 1.00 0.00 H ATOM 219 N THR A 29 10.882 64.172 145.370 1.00 33.56 N ATOM 220 CA THR A 29 10.114 65.344 145.775 1.00 33.72 C ATOM 221 C THR A 29 11.043 66.509 146.110 1.00 32.42 C ATOM 222 O THR A 29 12.260 66.350 146.237 1.00 33.51 O ATOM 223 CB THR A 29 9.257 65.022 147.004 1.00 40.90 C ATOM 224 OG1 THR A 29 10.118 64.620 148.077 1.00 34.84 O ATOM 225 CG2 THR A 29 8.278 63.898 146.711 1.00 47.23 C ATOM 226 HG1 THR A 29 9.572 64.410 148.876 1.00 0.00 H ATOM 227 H THR A 29 11.193 63.514 146.113 1.00 0.00 H ATOM 228 N THR A 30 10.446 67.700 146.291 1.00 32.21 N ATOM 229 CA THR A 30 11.215 68.834 146.805 1.00 35.81 C ATOM 230 C THR A 30 11.858 68.498 148.141 1.00 35.60 C ATOM 231 O THR A 30 13.009 68.866 148.405 1.00 38.03 O ATOM 232 CB THR A 30 10.323 70.070 146.970 1.00 45.44 C ATOM 233 OG1 THR A 30 9.052 69.674 147.497 1.00 46.11 O ATOM 234 CG2 THR A 30 10.114 70.760 145.648 1.00 47.42 C ATOM 235 HG1 THR A 30 8.622 69.037 146.874 1.00 0.00 H ATOM 236 H THR A 30 9.437 67.815 146.066 1.00 0.00 H ATOM 237 N LYS A 31 11.128 67.795 149.003 1.00 37.36 N ATOM 238 CA LYS A 31 11.654 67.495 150.326 1.00 44.76 C ATOM 239 C LYS A 31 12.869 66.580 150.224 1.00 38.68 C ATOM 240 O LYS A 31 13.898 66.819 150.869 1.00 36.74 O ATOM 241 CB LYS A 31 10.561 66.877 151.205 1.00 61.58 C ATOM 242 CG LYS A 31 9.283 67.736 151.356 1.00 70.65 C ATOM 243 CD LYS A 31 8.362 67.698 150.116 1.00 78.04 C ATOM 244 CE LYS A 31 7.051 68.420 150.385 1.00 78.96 C ATOM 245 NZ LYS A 31 7.303 69.793 150.898 1.00 78.28 N ATOM 246 HZ1 LYS A 31 7.844 69.737 151.784 1.00 0.00 H ATOM 247 HZ2 LYS A 31 7.845 70.331 150.192 1.00 0.00 H ATOM 248 HZ3 LYS A 31 6.395 70.268 151.075 1.00 0.00 H ATOM 249 H LYS A 31 10.182 67.460 148.731 1.00 0.00 H ATOM 250 N GLU A 32 12.776 65.543 149.386 1.00 32.37 N ATOM 251 CA GLU A 32 13.909 64.645 149.206 1.00 33.76 C ATOM 252 C GLU A 32 15.076 65.383 148.580 1.00 36.82 C ATOM 253 O GLU A 32 16.238 65.169 148.956 1.00 31.18 O ATOM 254 CB GLU A 32 13.495 63.449 148.346 1.00 36.81 C ATOM 255 CG GLU A 32 12.639 62.433 149.114 1.00 40.59 C ATOM 256 CD GLU A 32 11.986 61.402 148.212 1.00 46.03 C ATOM 257 OE1 GLU A 32 11.813 61.681 146.997 1.00 35.90 O ATOM 258 OE2 GLU A 32 11.634 60.316 148.722 1.00 38.67 O ATOM 259 H GLU A 32 11.893 65.377 148.862 1.00 0.00 H ATOM 260 N LEU A 33 14.781 66.250 147.608 1.00 38.00 N ATOM 261 CA LEU A 33 15.820 67.046 146.977 1.00 32.09 C ATOM 262 C LEU A 33 16.472 67.976 147.992 1.00 31.36 C ATOM 263 O LEU A 33 17.704 68.067 148.059 1.00 35.66 O ATOM 264 CB LEU A 33 15.220 67.831 145.810 1.00 34.06 C ATOM 265 CG LEU A 33 16.168 68.681 144.974 1.00 39.01 C ATOM 266 CD1 LEU A 33 17.279 67.806 144.412 1.00 45.18 C ATOM 267 CD2 LEU A 33 15.409 69.390 143.849 1.00 36.89 C ATOM 268 H LEU A 33 13.794 66.357 147.298 1.00 0.00 H ATOM 269 N GLY A 34 15.658 68.637 148.824 1.00 31.29 N ATOM 270 CA GLY A 34 16.201 69.561 149.811 1.00 38.90 C ATOM 271 C GLY A 34 17.101 68.878 150.822 1.00 38.74 C ATOM 272 O GLY A 34 18.153 69.408 151.193 1.00 32.20 O ATOM 273 H GLY A 34 14.630 68.490 148.765 1.00 0.00 H ATOM 274 N THR A 35 16.718 67.679 151.259 1.00 33.75 N ATOM 275 CA THR A 35 17.576 66.911 152.158 1.00 42.14 C ATOM 276 C THR A 35 18.970 66.734 151.574 1.00 32.84 C ATOM 277 O THR A 35 19.975 66.945 152.262 1.00 32.86 O ATOM 278 CB THR A 35 16.948 65.550 152.439 1.00 47.60 C ATOM 279 OG1 THR A 35 15.646 65.735 153.012 1.00 50.24 O ATOM 280 CG2 THR A 35 17.828 64.752 153.383 1.00 47.96 C ATOM 281 HG1 THR A 35 15.076 66.238 152.378 1.00 0.00 H ATOM 282 H THR A 35 15.803 67.287 150.958 1.00 0.00 H ATOM 283 N VAL A 36 19.043 66.374 150.295 1.00 34.44 N ATOM 284 CA VAL A 36 20.327 66.169 149.641 1.00 38.41 C ATOM 285 C VAL A 36 21.083 67.480 149.518 1.00 37.09 C ATOM 286 O VAL A 36 22.280 67.548 149.817 1.00 35.20 O ATOM 287 CB VAL A 36 20.125 65.518 148.263 1.00 42.47 C ATOM 288 CG1 VAL A 36 21.442 65.509 147.485 1.00 36.42 C ATOM 289 CG2 VAL A 36 19.571 64.115 148.432 1.00 48.40 C ATOM 290 H VAL A 36 18.166 66.237 149.753 1.00 0.00 H ATOM 291 N MET A 37 20.416 68.523 149.009 1.00 36.15 N ATOM 292 CA MET A 37 21.067 69.825 148.898 1.00 36.56 C ATOM 293 C MET A 37 21.616 70.251 150.253 1.00 42.88 C ATOM 294 O MET A 37 22.786 70.630 150.370 1.00 33.73 O ATOM 295 CB MET A 37 20.091 70.879 148.358 1.00 32.56 C ATOM 296 CG MET A 37 19.434 70.529 147.015 1.00 48.28 C ATOM 297 SD MET A 37 20.671 70.203 145.752 1.00 52.49 S ATOM 298 CE MET A 37 21.316 71.853 145.466 1.00 49.30 C ATOM 299 H MET A 37 19.432 68.406 148.692 1.00 0.00 H ATOM 300 N ARG A 38 20.790 70.157 151.299 1.00 31.81 N ATOM 301 CA ARG A 38 21.233 70.612 152.617 1.00 40.00 C ATOM 302 C ARG A 38 22.367 69.766 153.179 1.00 44.08 C ATOM 303 O ARG A 38 23.207 70.304 153.903 1.00 51.04 O ATOM 304 CB ARG A 38 20.056 70.660 153.597 1.00 33.11 C ATOM 305 CG ARG A 38 19.125 71.839 153.348 1.00 35.64 C ATOM 306 CD ARG A 38 18.071 71.947 154.425 1.00 36.41 C ATOM 307 NE ARG A 38 17.139 70.830 154.366 1.00 44.56 N ATOM 308 CZ ARG A 38 16.055 70.812 153.604 1.00 44.00 C ATOM 309 NH1 ARG A 38 15.787 71.849 152.815 1.00 44.90 N ATOM 310 NH2 ARG A 38 15.253 69.753 153.620 1.00 52.63 N ATOM 311 HE ARG A 38 17.336 69.997 154.957 1.00 0.00 H ATOM 312 HH12 ARG A 38 14.938 71.840 152.215 1.00 0.00 H ATOM 313 HH11 ARG A 38 16.427 72.669 152.798 1.00 0.00 H ATOM 314 HH22 ARG A 38 14.402 69.736 153.023 1.00 0.00 H ATOM 315 HH21 ARG A 38 15.477 68.941 154.230 1.00 0.00 H ATOM 316 H ARG A 38 19.836 69.762 151.177 1.00 0.00 H ATOM 317 N SER A 39 22.441 68.483 152.836 1.00 43.39 N ATOM 318 CA SER A 39 23.582 67.665 153.226 1.00 47.71 C ATOM 319 C SER A 39 24.883 68.072 152.535 1.00 42.02 C ATOM 320 O SER A 39 25.959 67.695 153.009 1.00 48.29 O ATOM 321 CB SER A 39 23.287 66.173 152.966 1.00 38.11 C ATOM 322 OG SER A 39 23.607 65.814 151.633 1.00 50.06 O ATOM 323 HG SER A 39 23.066 66.358 151.007 1.00 0.00 H ATOM 324 H SER A 39 21.672 68.057 152.280 1.00 0.00 H ATOM 325 N LEU A 40 24.830 68.842 151.455 1.00 39.13 N ATOM 326 CA LEU A 40 26.038 69.290 150.765 1.00 48.25 C ATOM 327 C LEU A 40 26.364 70.768 151.017 1.00 50.94 C ATOM 328 O LEU A 40 27.049 71.406 150.214 1.00 51.36 O ATOM 329 CB LEU A 40 25.916 69.021 149.271 1.00 40.86 C ATOM 330 CG LEU A 40 25.756 67.525 148.955 1.00 56.42 C ATOM 331 CD1 LEU A 40 25.089 67.341 147.626 1.00 53.36 C ATOM 332 CD2 LEU A 40 27.096 66.797 148.982 1.00 61.99 C ATOM 333 H LEU A 40 23.902 69.135 151.089 1.00 0.00 H ATOM 334 N GLY A 41 25.901 71.321 152.131 1.00 51.32 N ATOM 335 CA GLY A 41 26.271 72.672 152.496 1.00 62.48 C ATOM 336 C GLY A 41 25.502 73.766 151.795 1.00 54.95 C ATOM 337 O GLY A 41 25.955 74.915 151.792 1.00 52.97 O ATOM 338 H GLY A 41 25.265 70.777 152.749 1.00 0.00 H ATOM 339 N GLN A 42 24.359 73.451 151.203 1.00 50.85 N ATOM 340 CA GLN A 42 23.522 74.428 150.530 1.00 48.43 C ATOM 341 C GLN A 42 22.288 74.717 151.374 1.00 44.37 C ATOM 342 O GLN A 42 21.857 73.888 152.180 1.00 40.98 O ATOM 343 CB GLN A 42 23.099 73.932 149.143 1.00 46.85 C ATOM 344 CG GLN A 42 24.263 73.522 148.228 1.00 49.39 C ATOM 345 CD GLN A 42 25.309 74.621 148.076 1.00 66.54 C ATOM 346 OE1 GLN A 42 26.371 74.579 148.699 1.00 77.37 O ATOM 347 NE2 GLN A 42 25.003 75.616 147.259 1.00 66.84 N ATOM 348 HE22 GLN A 42 24.095 75.612 146.752 1.00 0.00 H ATOM 349 HE21 GLN A 42 25.671 76.402 147.124 1.00 0.00 H ATOM 350 H GLN A 42 24.047 72.459 151.221 1.00 0.00 H ATOM 351 N ASN A 43 21.707 75.894 151.154 1.00 40.60 N ATOM 352 CA ASN A 43 20.485 76.320 151.832 1.00 43.08 C ATOM 353 C ASN A 43 19.471 76.842 150.810 1.00 48.93 C ATOM 354 O ASN A 43 19.078 78.005 150.849 1.00 50.26 O ATOM 355 CB ASN A 43 20.794 77.403 152.870 1.00 53.93 C ATOM 356 CG ASN A 43 22.008 77.069 153.726 1.00 69.93 C ATOM 357 OD1 ASN A 43 21.868 76.643 154.869 1.00 77.04 O ATOM 358 ND2 ASN A 43 23.206 77.289 153.185 1.00 72.90 N ATOM 359 HD22 ASN A 43 23.279 77.651 152.213 1.00 0.00 H ATOM 360 HD21 ASN A 43 24.068 77.099 153.735 1.00 0.00 H ATOM 361 H ASN A 43 22.144 76.541 150.467 1.00 0.00 H ATOM 362 N PRO A 44 19.032 75.993 149.881 1.00 43.26 N ATOM 363 CA PRO A 44 18.085 76.481 148.868 1.00 48.49 C ATOM 364 C PRO A 44 16.714 76.719 149.476 1.00 45.37 C ATOM 365 O PRO A 44 16.279 76.004 150.374 1.00 39.01 O ATOM 366 CB PRO A 44 18.052 75.339 147.842 1.00 43.06 C ATOM 367 CG PRO A 44 18.330 74.117 148.650 1.00 46.05 C ATOM 368 CD PRO A 44 19.272 74.547 149.760 1.00 47.18 C ATOM 369 N THR A 45 16.030 77.751 148.983 1.00 46.42 N ATOM 370 CA THR A 45 14.662 77.966 149.435 1.00 48.48 C ATOM 371 C THR A 45 13.744 76.906 148.835 1.00 50.38 C ATOM 372 O THR A 45 14.111 76.180 147.902 1.00 36.16 O ATOM 373 CB THR A 45 14.154 79.349 149.024 1.00 34.23 C ATOM 374 OG1 THR A 45 14.100 79.411 147.593 1.00 42.62 O ATOM 375 CG2 THR A 45 15.066 80.452 149.567 1.00 36.37 C ATOM 376 HG1 THR A 45 15.006 79.261 147.223 1.00 0.00 H ATOM 377 H THR A 45 16.465 78.391 148.288 1.00 0.00 H ATOM 378 N GLU A 46 12.513 76.840 149.348 1.00 43.67 N ATOM 379 CA GLU A 46 11.542 75.947 148.727 1.00 45.49 C ATOM 380 C GLU A 46 11.256 76.352 147.273 1.00 38.87 C ATOM 381 O GLU A 46 11.121 75.490 146.402 1.00 41.06 O ATOM 382 CB GLU A 46 10.251 75.896 149.544 1.00 52.74 C ATOM 383 CG GLU A 46 9.674 74.486 149.638 1.00 66.10 C ATOM 384 CD GLU A 46 10.538 73.525 150.466 1.00 82.14 C ATOM 385 OE1 GLU A 46 10.171 72.328 150.561 1.00 88.98 O ATOM 386 OE2 GLU A 46 11.563 73.963 151.046 1.00 80.52 O ATOM 387 H GLU A 46 12.252 77.415 150.175 1.00 0.00 H ATOM 388 N ALA A 47 11.149 77.668 147.013 1.00 35.48 N ATOM 389 CA ALA A 47 10.976 78.134 145.628 1.00 44.27 C ATOM 390 C ALA A 47 12.111 77.651 144.732 1.00 39.45 C ATOM 391 O ALA A 47 11.887 77.264 143.570 1.00 36.57 O ATOM 392 CB ALA A 47 10.888 79.667 145.596 1.00 42.13 C ATOM 393 H ALA A 47 11.189 78.356 147.792 1.00 0.00 H ATOM 394 N GLU A 48 13.343 77.677 145.239 1.00 38.84 N ATOM 395 CA GLU A 48 14.485 77.249 144.445 1.00 32.04 C ATOM 396 C GLU A 48 14.447 75.744 144.180 1.00 30.78 C ATOM 397 O GLU A 48 14.799 75.305 143.078 1.00 34.10 O ATOM 398 CB GLU A 48 15.782 77.665 145.148 1.00 38.14 C ATOM 399 CG GLU A 48 16.125 79.158 144.925 1.00 43.00 C ATOM 400 CD GLU A 48 17.196 79.711 145.874 1.00 55.47 C ATOM 401 OE1 GLU A 48 17.663 80.854 145.635 1.00 60.76 O ATOM 402 OE2 GLU A 48 17.565 79.022 146.852 1.00 51.24 O ATOM 403 H GLU A 48 13.490 78.007 146.214 1.00 0.00 H ATOM 404 N LEU A 49 13.995 74.958 145.159 1.00 36.64 N ATOM 405 CA LEU A 49 13.862 73.514 144.976 1.00 39.74 C ATOM 406 C LEU A 49 12.779 73.188 143.954 1.00 33.42 C ATOM 407 O LEU A 49 12.959 72.309 143.106 1.00 35.35 O ATOM 408 CB LEU A 49 13.554 72.846 146.319 1.00 38.84 C ATOM 409 CG LEU A 49 14.653 72.810 147.382 1.00 40.04 C ATOM 410 CD1 LEU A 49 14.070 72.427 148.749 1.00 33.74 C ATOM 411 CD2 LEU A 49 15.759 71.842 146.985 1.00 41.49 C ATOM 412 H LEU A 49 13.732 75.382 146.072 1.00 0.00 H ATOM 413 N GLN A 50 11.635 73.877 144.035 1.00 36.17 N ATOM 414 CA GLN A 50 10.592 73.698 143.031 1.00 43.14 C ATOM 415 C GLN A 50 11.111 74.044 141.640 1.00 38.53 C ATOM 416 O GLN A 50 10.791 73.357 140.663 1.00 34.62 O ATOM 417 CB GLN A 50 9.370 74.554 143.376 1.00 50.36 C ATOM 418 CG GLN A 50 8.374 73.865 144.298 1.00 62.79 C ATOM 419 CD GLN A 50 7.553 74.839 145.131 1.00 75.47 C ATOM 420 OE1 GLN A 50 7.549 76.048 144.885 1.00 75.34 O ATOM 421 NE2 GLN A 50 6.847 74.309 146.125 1.00 78.68 N ATOM 422 HE22 GLN A 50 6.880 73.284 146.297 1.00 0.00 H ATOM 423 HE21 GLN A 50 6.262 74.920 146.731 1.00 0.00 H ATOM 424 H GLN A 50 11.488 74.545 144.819 1.00 0.00 H ATOM 425 N ASP A 51 11.941 75.059 141.562 1.00 38.86 N ATOM 426 CA ASP A 51 12.552 75.523 140.304 1.00 39.06 C ATOM 427 C ASP A 51 13.455 74.449 139.708 1.00 31.82 C ATOM 428 O ASP A 51 13.424 74.277 138.525 1.00 34.33 O ATOM 429 CB ASP A 51 13.456 76.691 140.613 1.00 49.75 C ATOM 430 CG ASP A 51 13.104 77.856 139.755 1.00 72.72 C ATOM 431 OD1 ASP A 51 13.709 77.955 138.730 1.00 76.89 O ATOM 432 OD2 ASP A 51 12.203 78.613 140.133 1.00 81.42 O ATOM 433 H ASP A 51 12.181 75.564 142.439 1.00 0.00 H ATOM 434 N MET A 52 14.309 73.869 140.528 1.00 33.72 N ATOM 435 CA MET A 52 15.154 72.766 140.072 1.00 39.36 C ATOM 436 C MET A 52 14.309 71.660 139.468 1.00 36.61 C ATOM 437 O MET A 52 14.660 71.093 138.426 1.00 36.03 O ATOM 438 CB MET A 52 15.985 72.195 141.224 1.00 37.86 C ATOM 439 CG MET A 52 17.127 73.068 141.702 1.00 48.40 C ATOM 440 SD MET A 52 17.959 72.325 143.126 1.00 49.17 S ATOM 441 CE MET A 52 18.976 71.115 142.286 1.00 43.77 C ATOM 442 H MET A 52 14.383 74.200 141.511 1.00 0.00 H ATOM 443 N ILE A 53 13.186 71.345 140.110 1.00 32.93 N ATOM 444 CA ILE A 53 12.341 70.263 139.631 1.00 34.12 C ATOM 445 C ILE A 53 11.634 70.677 138.330 1.00 40.41 C ATOM 446 O ILE A 53 11.605 69.915 137.368 1.00 38.10 O ATOM 447 CB ILE A 53 11.333 69.842 140.709 1.00 37.00 C ATOM 448 CG1 ILE A 53 12.063 69.116 141.847 1.00 34.09 C ATOM 449 CG2 ILE A 53 10.239 68.981 140.095 1.00 43.35 C ATOM 450 CD1 ILE A 53 11.157 68.563 142.927 1.00 33.03 C ATOM 451 H ILE A 53 12.911 71.877 140.960 1.00 0.00 H ATOM 452 N ASN A 54 11.071 71.884 138.322 1.00 36.94 N ATOM 453 CA ASN A 54 10.356 72.332 137.127 1.00 41.68 C ATOM 454 C ASN A 54 11.268 72.370 135.908 1.00 33.89 C ATOM 455 O ASN A 54 10.815 72.092 134.793 1.00 37.83 O ATOM 456 CB ASN A 54 9.723 73.700 137.387 1.00 45.13 C ATOM 457 CG ASN A 54 8.625 73.637 138.431 1.00 49.82 C ATOM 458 OD1 ASN A 54 8.260 72.555 138.900 1.00 50.72 O ATOM 459 ND2 ASN A 54 8.099 74.796 138.811 1.00 54.25 N ATOM 460 HD22 ASN A 54 8.437 75.684 138.389 1.00 0.00 H ATOM 461 HD21 ASN A 54 7.349 74.815 139.531 1.00 0.00 H ATOM 462 H ASN A 54 11.139 72.501 139.156 1.00 0.00 H ATOM 463 N GLU A 55 12.558 72.665 136.105 1.00 31.53 N ATOM 464 CA GLU A 55 13.502 72.747 134.992 1.00 37.52 C ATOM 465 C GLU A 55 13.637 71.424 134.226 1.00 37.42 C ATOM 466 O GLU A 55 14.029 71.433 133.055 1.00 39.94 O ATOM 467 CB GLU A 55 14.879 73.185 135.500 1.00 38.96 C ATOM 468 CG GLU A 55 15.048 74.696 135.677 1.00 53.55 C ATOM 469 CD GLU A 55 16.397 75.087 136.271 1.00 58.24 C ATOM 470 OE1 GLU A 55 17.238 74.196 136.510 1.00 57.89 O ATOM 471 OE2 GLU A 55 16.630 76.297 136.474 1.00 65.83 O ATOM 472 H GLU A 55 12.897 72.840 137.072 1.00 0.00 H ATOM 473 N VAL A 56 13.361 70.283 134.864 1.00 31.85 N ATOM 474 CA VAL A 56 13.454 68.993 134.188 1.00 35.00 C ATOM 475 C VAL A 56 12.128 68.248 134.196 1.00 34.88 C ATOM 476 O VAL A 56 12.068 67.094 133.772 1.00 39.19 O ATOM 477 CB VAL A 56 14.573 68.119 134.791 1.00 32.83 C ATOM 478 CG1 VAL A 56 15.910 68.857 134.708 1.00 32.11 C ATOM 479 CG2 VAL A 56 14.254 67.708 136.269 1.00 33.62 C ATOM 480 H VAL A 56 13.074 70.315 135.863 1.00 0.00 H ATOM 481 N ASP A 57 11.054 68.894 134.649 1.00 34.52 N ATOM 482 CA ASP A 57 9.807 68.193 134.958 1.00 39.95 C ATOM 483 C ASP A 57 8.973 68.055 133.689 1.00 33.45 C ATOM 484 O ASP A 57 7.971 68.740 133.487 1.00 35.20 O ATOM 485 CB ASP A 57 9.045 68.926 136.053 1.00 42.09 C ATOM 486 CG ASP A 57 7.826 68.165 136.506 1.00 46.67 C ATOM 487 OD1 ASP A 57 7.817 66.922 136.358 1.00 39.23 O ATOM 488 OD2 ASP A 57 6.876 68.806 136.992 1.00 44.89 O ATOM 489 H ASP A 57 11.103 69.924 134.787 1.00 0.00 H ATOM 490 N ALA A 58 9.380 67.113 132.831 1.00 33.36 N ATOM 491 CA ALA A 58 8.775 67.047 131.501 1.00 36.78 C ATOM 492 C ALA A 58 7.283 66.739 131.569 1.00 38.21 C ATOM 493 O ALA A 58 6.509 67.269 130.766 1.00 37.76 O ATOM 494 CB ALA A 58 9.500 66.019 130.629 1.00 30.34 C ATOM 495 H ALA A 58 10.119 66.435 133.107 1.00 0.00 H ATOM 496 N ASP A 59 6.848 65.918 132.530 1.00 37.67 N ATOM 497 CA ASP A 59 5.433 65.565 132.580 1.00 38.29 C ATOM 498 C ASP A 59 4.613 66.521 133.430 1.00 42.05 C ATOM 499 O ASP A 59 3.382 66.428 133.422 1.00 49.70 O ATOM 500 CB ASP A 59 5.246 64.110 133.054 1.00 45.94 C ATOM 501 CG ASP A 59 5.593 63.898 134.515 1.00 51.16 C ATOM 502 OD1 ASP A 59 6.227 64.777 135.128 1.00 45.58 O ATOM 503 OD2 ASP A 59 5.245 62.818 135.047 1.00 53.83 O ATOM 504 H ASP A 59 7.511 65.535 133.234 1.00 0.00 H ATOM 505 N GLY A 60 5.263 67.445 134.137 1.00 41.23 N ATOM 506 CA GLY A 60 4.558 68.471 134.875 1.00 40.53 C ATOM 507 C GLY A 60 3.899 68.034 136.164 1.00 41.27 C ATOM 508 O GLY A 60 2.958 68.697 136.606 1.00 43.76 O ATOM 509 H GLY A 60 6.303 67.428 134.159 1.00 0.00 H ATOM 510 N ASN A 61 4.356 66.949 136.797 1.00 38.81 N ATOM 511 CA ASN A 61 3.698 66.445 138.002 1.00 41.12 C ATOM 512 C ASN A 61 4.402 66.854 139.296 1.00 48.13 C ATOM 513 O ASN A 61 4.032 66.368 140.373 1.00 50.95 O ATOM 514 CB ASN A 61 3.551 64.924 137.927 1.00 35.01 C ATOM 515 CG ASN A 61 4.861 64.193 138.127 1.00 41.67 C ATOM 516 OD1 ASN A 61 5.942 64.778 138.036 1.00 42.85 O ATOM 517 ND2 ASN A 61 4.772 62.893 138.387 1.00 47.62 N ATOM 518 HD22 ASN A 61 3.839 62.439 138.455 1.00 0.00 H ATOM 519 HD21 ASN A 61 5.636 62.329 138.522 1.00 0.00 H ATOM 520 H ASN A 61 5.193 66.455 136.427 1.00 0.00 H ATOM 521 N GLY A 62 5.396 67.739 139.223 1.00 40.10 N ATOM 522 CA GLY A 62 6.035 68.267 140.414 1.00 35.78 C ATOM 523 C GLY A 62 7.127 67.409 141.019 1.00 38.43 C ATOM 524 O GLY A 62 7.777 67.854 141.976 1.00 39.53 O ATOM 525 H GLY A 62 5.722 68.059 138.289 1.00 0.00 H ATOM 526 N THR A 63 7.354 66.192 140.517 1.00 32.95 N ATOM 527 CA THR A 63 8.405 65.333 141.051 1.00 32.27 C ATOM 528 C THR A 63 9.315 64.888 139.920 1.00 32.34 C ATOM 529 O THR A 63 8.948 64.951 138.748 1.00 35.13 O ATOM 530 CB THR A 63 7.846 64.101 141.772 1.00 36.90 C ATOM 531 OG1 THR A 63 7.118 63.278 140.846 1.00 42.38 O ATOM 532 CG2 THR A 63 6.946 64.503 142.919 1.00 39.10 C ATOM 533 HG1 THR A 63 7.724 62.984 140.120 1.00 0.00 H ATOM 534 H THR A 63 6.769 65.850 139.728 1.00 0.00 H ATOM 535 N ILE A 64 10.505 64.424 140.284 1.00 29.84 N ATOM 536 CA ILE A 64 11.482 63.939 139.315 1.00 31.62 C ATOM 537 C ILE A 64 11.413 62.418 139.262 1.00 32.89 C ATOM 538 O ILE A 64 11.603 61.750 140.284 1.00 32.59 O ATOM 539 CB ILE A 64 12.903 64.394 139.678 1.00 34.64 C ATOM 540 CG1 ILE A 64 12.939 65.886 140.009 1.00 35.47 C ATOM 541 CG2 ILE A 64 13.875 64.107 138.551 1.00 29.67 C ATOM 542 CD1 ILE A 64 14.319 66.336 140.309 1.00 33.30 C ATOM 543 H ILE A 64 10.749 64.406 141.295 1.00 0.00 H ATOM 544 N ASP A 65 11.179 61.860 138.076 1.00 36.36 N ATOM 545 CA ASP A 65 11.363 60.426 137.904 1.00 30.79 C ATOM 546 C ASP A 65 12.727 60.177 137.267 1.00 27.58 C ATOM 547 O ASP A 65 13.488 61.107 136.971 1.00 28.91 O ATOM 548 CB ASP A 65 10.209 59.804 137.109 1.00 32.55 C ATOM 549 CG ASP A 65 10.002 60.438 135.735 1.00 45.08 C ATOM 550 OD1 ASP A 65 10.961 60.982 135.150 1.00 43.88 O ATOM 551 OD2 ASP A 65 8.858 60.372 135.235 1.00 48.96 O ATOM 552 H ASP A 65 10.866 62.446 137.276 1.00 0.00 H ATOM 553 N PHE A 66 13.046 58.912 137.053 1.00 25.60 N ATOM 554 CA PHE A 66 14.403 58.622 136.614 1.00 25.19 C ATOM 555 C PHE A 66 14.726 59.207 135.235 1.00 26.45 C ATOM 556 O PHE A 66 15.852 59.682 135.029 1.00 28.82 O ATOM 557 CB PHE A 66 14.679 57.116 136.618 1.00 32.17 C ATOM 558 CG PHE A 66 16.111 56.792 136.324 1.00 35.76 C ATOM 559 CD1 PHE A 66 17.121 57.359 137.091 1.00 29.03 C ATOM 560 CD2 PHE A 66 16.458 55.970 135.265 1.00 33.75 C ATOM 561 CE1 PHE A 66 18.458 57.092 136.819 1.00 32.62 C ATOM 562 CE2 PHE A 66 17.793 55.692 134.990 1.00 32.68 C ATOM 563 CZ PHE A 66 18.794 56.254 135.764 1.00 35.18 C ATOM 564 H PHE A 66 12.352 58.151 137.193 1.00 0.00 H ATOM 565 N PRO A 67 13.802 59.193 134.264 1.00 27.75 N ATOM 566 CA PRO A 67 14.142 59.822 132.974 1.00 31.96 C ATOM 567 C PRO A 67 14.370 61.319 133.080 1.00 32.40 C ATOM 568 O PRO A 67 15.287 61.839 132.438 1.00 29.67 O ATOM 569 CB PRO A 67 12.934 59.489 132.089 1.00 34.31 C ATOM 570 CG PRO A 67 12.299 58.319 132.730 1.00 36.53 C ATOM 571 CD PRO A 67 12.511 58.485 134.186 1.00 30.16 C ATOM 572 N GLU A 68 13.561 62.028 133.872 1.00 31.35 N ATOM 573 CA GLU A 68 13.795 63.453 134.095 1.00 28.96 C ATOM 574 C GLU A 68 15.060 63.696 134.897 1.00 32.18 C ATOM 575 O GLU A 68 15.675 64.768 134.780 1.00 29.59 O ATOM 576 CB GLU A 68 12.595 64.064 134.809 1.00 29.44 C ATOM 577 CG GLU A 68 11.296 63.907 134.026 1.00 28.41 C ATOM 578 CD GLU A 68 10.058 64.163 134.873 1.00 34.15 C ATOM 579 OE1 GLU A 68 10.131 64.008 136.120 1.00 34.51 O ATOM 580 OE2 GLU A 68 9.009 64.510 134.287 1.00 27.46 O ATOM 581 H GLU A 68 12.756 61.561 134.335 1.00 0.00 H ATOM 582 N PHE A 69 15.441 62.731 135.738 1.00 29.70 N ATOM 583 CA PHE A 69 16.666 62.837 136.519 1.00 26.06 C ATOM 584 C PHE A 69 17.891 62.754 135.624 1.00 31.70 C ATOM 585 O PHE A 69 18.908 63.412 135.897 1.00 33.96 O ATOM 586 CB PHE A 69 16.694 61.737 137.585 1.00 26.06 C ATOM 587 CG PHE A 69 17.894 61.790 138.492 1.00 30.86 C ATOM 588 CD1 PHE A 69 17.963 62.711 139.530 1.00 33.35 C ATOM 589 CD2 PHE A 69 18.935 60.887 138.338 1.00 31.47 C ATOM 590 CE1 PHE A 69 19.068 62.761 140.371 1.00 33.92 C ATOM 591 CE2 PHE A 69 20.032 60.912 139.191 1.00 32.09 C ATOM 592 CZ PHE A 69 20.098 61.856 140.213 1.00 33.33 C ATOM 593 H PHE A 69 14.848 61.882 135.838 1.00 0.00 H ATOM 594 N LEU A 70 17.804 61.969 134.548 1.00 30.55 N ATOM 595 CA LEU A 70 18.887 61.932 133.573 1.00 27.80 C ATOM 596 C LEU A 70 19.065 63.284 132.917 1.00 27.06 C ATOM 597 O LEU A 70 20.198 63.716 132.684 1.00 36.23 O ATOM 598 CB LEU A 70 18.624 60.868 132.514 1.00 24.69 C ATOM 599 CG LEU A 70 18.699 59.442 133.059 1.00 38.96 C ATOM 600 CD1 LEU A 70 18.294 58.465 131.954 1.00 29.58 C ATOM 601 CD2 LEU A 70 20.083 59.148 133.626 1.00 39.81 C ATOM 602 H LEU A 70 16.959 61.380 134.404 1.00 0.00 H ATOM 603 N THR A 71 17.957 63.962 132.600 1.00 33.42 N ATOM 604 CA THR A 71 18.035 65.365 132.195 1.00 32.54 C ATOM 605 C THR A 71 18.792 66.178 133.239 1.00 31.34 C ATOM 606 O THR A 71 19.686 66.969 132.915 1.00 35.57 O ATOM 607 CB THR A 71 16.634 65.956 131.990 1.00 32.13 C ATOM 608 OG1 THR A 71 15.844 65.110 131.140 1.00 30.67 O ATOM 609 CG2 THR A 71 16.728 67.360 131.365 1.00 35.36 C ATOM 610 HG1 THR A 71 14.946 65.509 131.021 1.00 0.00 H ATOM 611 H THR A 71 17.032 63.488 132.642 1.00 0.00 H ATOM 612 N MET A 72 18.447 65.996 134.507 1.00 32.42 N ATOM 613 CA MET A 72 19.104 66.796 135.531 1.00 35.66 C ATOM 614 C MET A 72 20.575 66.420 135.661 1.00 38.45 C ATOM 615 O MET A 72 21.435 67.304 135.779 1.00 29.47 O ATOM 616 CB MET A 72 18.374 66.643 136.864 1.00 32.48 C ATOM 617 CG MET A 72 19.084 67.311 138.005 1.00 40.38 C ATOM 618 SD MET A 72 18.234 67.060 139.582 1.00 44.13 S ATOM 619 CE MET A 72 16.995 68.347 139.500 1.00 49.14 C ATOM 620 H MET A 72 17.722 65.296 134.764 1.00 0.00 H ATOM 621 N MET A 73 20.882 65.116 135.631 1.00 39.49 N ATOM 622 CA MET A 73 22.272 64.668 135.676 1.00 40.53 C ATOM 623 C MET A 73 23.041 65.112 134.434 1.00 42.58 C ATOM 624 O MET A 73 24.218 65.478 134.526 1.00 44.51 O ATOM 625 CB MET A 73 22.334 63.149 135.852 1.00 36.40 C ATOM 626 CG MET A 73 21.878 62.699 137.216 1.00 40.86 C ATOM 627 SD MET A 73 22.955 63.272 138.532 1.00 45.34 S ATOM 628 CE MET A 73 22.028 64.654 139.230 1.00 42.18 C ATOM 629 H MET A 73 20.119 64.412 135.575 1.00 0.00 H ATOM 630 N ALA A 74 22.387 65.097 133.269 1.00 39.26 N ATOM 631 CA ALA A 74 22.946 65.739 132.088 1.00 46.50 C ATOM 632 C ALA A 74 23.076 67.236 132.312 1.00 63.57 C ATOM 633 O ALA A 74 23.862 67.896 131.634 1.00 56.25 O ATOM 634 CB ALA A 74 22.058 65.441 130.880 1.00 40.71 C ATOM 635 H ALA A 74 21.465 64.620 133.205 1.00 0.00 H ATOM 636 N ARG A 75 22.275 67.773 133.231 1.00 83.69 N ATOM 637 CA ARG A 75 22.361 69.095 133.858 1.00100.68 C ATOM 638 C ARG A 75 21.325 69.961 133.138 1.00 95.99 C ATOM 639 O ARG A 75 21.125 71.143 133.433 1.00108.02 O ATOM 640 CB ARG A 75 23.757 69.676 133.756 1.00106.38 C ATOM 641 CG ARG A 75 24.424 70.344 134.916 1.00109.49 C ATOM 642 CD ARG A 75 25.748 69.651 134.918 1.00110.68 C ATOM 643 NE ARG A 75 26.203 69.619 133.534 1.00118.24 N ATOM 644 CZ ARG A 75 27.052 68.714 133.061 1.00120.04 C ATOM 645 NH1 ARG A 75 27.375 68.723 131.769 1.00118.98 N ATOM 646 NH2 ARG A 75 27.611 67.833 133.893 1.00125.19 N ATOM 647 HE ARG A 75 25.843 70.344 132.881 1.00 0.00 H ATOM 648 HH12 ARG A 75 28.039 68.016 131.394 1.00 0.00 H ATOM 649 HH11 ARG A 75 26.963 69.437 131.135 1.00 0.00 H ATOM 650 HH22 ARG A 75 28.276 67.122 133.527 1.00 0.00 H ATOM 651 HH21 ARG A 75 27.381 67.857 134.907 1.00 0.00 H ATOM 652 H ARG A 75 21.484 67.175 133.545 1.00 0.00 H ATOM 653 N LYS A 76 20.663 69.360 132.148 1.00 72.84 N ATOM 654 CA LYS A 76 19.974 70.091 131.092 1.00 46.44 C ATOM 655 C LYS A 76 18.599 70.594 131.497 1.00 38.95 C ATOM 656 O LYS A 76 18.025 70.210 132.511 1.00 42.34 O ATOM 657 CB LYS A 76 19.772 69.232 129.828 1.00 53.29 C ATOM 658 CG LYS A 76 21.040 68.731 129.204 1.00 63.25 C ATOM 659 CD LYS A 76 20.844 68.249 127.754 1.00 68.05 C ATOM 660 CE LYS A 76 20.462 66.784 127.678 1.00 66.56 C ATOM 661 NZ LYS A 76 19.076 66.449 128.116 1.00 59.06 N ATOM 662 HZ1 LYS A 76 18.950 66.731 129.109 1.00 0.00 H ATOM 663 HZ2 LYS A 76 18.393 66.959 127.520 1.00 0.00 H ATOM 664 HZ3 LYS A 76 18.922 65.425 128.023 1.00 0.00 H ATOM 665 H LYS A 76 20.637 68.320 132.129 1.00 0.00 H ATOM 666 N MET A 77 18.053 71.441 130.634 1.00 37.12 N ATOM 667 CA MET A 77 16.677 71.866 130.781 1.00 41.17 C ATOM 668 C MET A 77 15.785 70.968 129.934 1.00 33.67 C ATOM 669 O MET A 77 16.236 70.353 128.975 1.00 35.87 O ATOM 670 CB MET A 77 16.528 73.314 130.350 1.00 54.21 C ATOM 671 CG MET A 77 17.418 74.315 131.030 1.00 59.50 C ATOM 672 SD MET A 77 16.750 74.724 132.631 1.00 64.48 S ATOM 673 CE MET A 77 15.008 74.861 132.200 1.00 60.75 C ATOM 674 H MET A 77 18.621 71.804 129.842 1.00 0.00 H ATOM 675 N LYS A 78 14.497 70.924 130.281 1.00 34.53 N ATOM 676 CA LYS A 78 13.622 69.915 129.686 1.00 29.08 C ATOM 677 C LYS A 78 13.341 70.170 128.203 1.00 40.73 C ATOM 678 O LYS A 78 13.187 69.213 127.435 1.00 39.92 O ATOM 679 CB LYS A 78 12.308 69.805 130.473 1.00 32.64 C ATOM 680 CG LYS A 78 11.432 71.047 130.518 1.00 39.32 C ATOM 681 CD LYS A 78 10.269 70.793 131.469 1.00 42.53 C ATOM 682 CE LYS A 78 9.246 71.911 131.474 1.00 51.35 C ATOM 683 NZ LYS A 78 9.694 73.138 132.216 1.00 45.86 N ATOM 684 HZ1 LYS A 78 9.887 72.891 133.207 1.00 0.00 H ATOM 685 HZ2 LYS A 78 10.559 73.512 131.776 1.00 0.00 H ATOM 686 HZ3 LYS A 78 8.945 73.858 132.177 1.00 0.00 H ATOM 687 H LYS A 78 14.118 71.604 130.971 1.00 0.00 H ATOM 688 N ASP A 79 13.315 71.429 127.772 1.00 41.35 N ATOM 689 CA ASP A 79 13.048 71.769 126.352 1.00 48.79 C ATOM 690 C ASP A 79 14.210 71.297 125.501 1.00 44.89 C ATOM 691 O ASP A 79 14.005 70.762 124.448 1.00 39.76 O ATOM 692 CB ASP A 79 12.930 73.270 126.166 1.00 58.04 C ATOM 693 CG ASP A 79 11.592 73.789 126.622 1.00 74.87 C ATOM 694 OD1 ASP A 79 11.427 74.994 126.621 1.00 84.23 O ATOM 695 OD2 ASP A 79 10.751 72.990 126.982 1.00 83.86 O ATOM 696 H ASP A 79 13.487 72.198 128.451 1.00 0.00 H ATOM 697 N THR A 80 15.396 71.583 125.966 1.00 40.26 N ATOM 698 CA THR A 80 16.591 71.057 125.308 1.00 39.58 C ATOM 699 C THR A 80 16.536 69.537 125.209 1.00 37.01 C ATOM 700 O THR A 80 16.801 68.946 124.152 1.00 34.62 O ATOM 701 CB THR A 80 17.835 71.485 126.086 1.00 47.78 C ATOM 702 OG1 THR A 80 17.980 72.910 126.025 1.00 51.92 O ATOM 703 CG2 THR A 80 19.070 70.830 125.517 1.00 42.52 C ATOM 704 HG1 THR A 80 18.787 73.180 126.531 1.00 0.00 H ATOM 705 H THR A 80 15.491 72.187 126.807 1.00 0.00 H ATOM 706 N ASP A 81 16.211 68.877 126.316 1.00 33.00 N ATOM 707 CA ASP A 81 16.131 67.422 126.307 1.00 30.52 C ATOM 708 C ASP A 81 15.046 66.942 125.346 1.00 29.80 C ATOM 709 O ASP A 81 15.261 66.012 124.562 1.00 31.25 O ATOM 710 CB ASP A 81 15.888 66.936 127.737 1.00 27.10 C ATOM 711 CG ASP A 81 15.609 65.464 127.812 1.00 28.77 C ATOM 712 OD1 ASP A 81 16.571 64.664 127.700 1.00 26.35 O ATOM 713 OD2 ASP A 81 14.420 65.130 127.984 1.00 32.87 O ATOM 714 H ASP A 81 16.013 69.401 127.192 1.00 0.00 H ATOM 715 N SER A 82 13.892 67.611 125.350 1.00 27.64 N ATOM 716 CA SER A 82 12.810 67.206 124.462 1.00 30.67 C ATOM 717 C SER A 82 13.174 67.421 122.990 1.00 39.86 C ATOM 718 O SER A 82 12.831 66.600 122.132 1.00 36.87 O ATOM 719 CB SER A 82 11.548 67.957 124.873 1.00 33.86 C ATOM 720 OG SER A 82 11.581 69.285 124.408 1.00 48.16 O ATOM 721 HG SER A 82 12.367 69.748 124.792 1.00 0.00 H ATOM 722 H SER A 82 13.764 68.423 125.988 1.00 0.00 H ATOM 723 N GLU A 83 13.915 68.487 122.685 1.00 32.51 N ATOM 724 CA GLU A 83 14.365 68.716 121.319 1.00 35.34 C ATOM 725 C GLU A 83 15.270 67.592 120.841 1.00 38.09 C ATOM 726 O GLU A 83 15.148 67.132 119.699 1.00 36.17 O ATOM 727 CB GLU A 83 15.098 70.056 121.217 1.00 43.89 C ATOM 728 CG GLU A 83 14.200 71.289 121.187 1.00 58.91 C ATOM 729 CD GLU A 83 14.968 72.593 121.424 1.00 64.72 C ATOM 730 OE1 GLU A 83 14.336 73.585 121.845 1.00 60.70 O ATOM 731 OE2 GLU A 83 16.196 72.628 121.181 1.00 59.16 O ATOM 732 H GLU A 83 14.175 69.163 123.432 1.00 0.00 H ATOM 733 N GLU A 84 16.189 67.140 121.699 1.00 35.22 N ATOM 734 CA GLU A 84 17.071 66.031 121.337 1.00 35.01 C ATOM 735 C GLU A 84 16.302 64.734 121.125 1.00 37.40 C ATOM 736 O GLU A 84 16.712 63.895 120.312 1.00 33.92 O ATOM 737 CB GLU A 84 18.127 65.820 122.417 1.00 43.53 C ATOM 738 CG GLU A 84 18.948 67.053 122.710 1.00 52.02 C ATOM 739 CD GLU A 84 19.935 66.851 123.850 1.00 61.48 C ATOM 740 OE1 GLU A 84 19.722 65.949 124.696 1.00 61.75 O ATOM 741 OE2 GLU A 84 20.932 67.601 123.896 1.00 67.05 O ATOM 742 H GLU A 84 16.278 67.582 122.636 1.00 0.00 H ATOM 743 N GLU A 85 15.206 64.542 121.855 1.00 34.83 N ATOM 744 CA GLU A 85 14.407 63.336 121.688 1.00 35.85 C ATOM 745 C GLU A 85 13.558 63.403 120.425 1.00 33.37 C ATOM 746 O GLU A 85 13.412 62.393 119.722 1.00 28.38 O ATOM 747 CB GLU A 85 13.551 63.104 122.936 1.00 25.82 C ATOM 748 CG GLU A 85 14.369 62.469 124.037 1.00 25.64 C ATOM 749 CD GLU A 85 13.803 62.657 125.454 1.00 35.07 C ATOM 750 OE1 GLU A 85 14.527 62.273 126.395 1.00 33.40 O ATOM 751 OE2 GLU A 85 12.674 63.183 125.626 1.00 33.76 O ATOM 752 H GLU A 85 14.918 65.259 122.551 1.00 0.00 H ATOM 753 N ILE A 86 13.012 64.582 120.113 1.00 30.02 N ATOM 754 CA ILE A 86 12.264 64.743 118.873 1.00 36.04 C ATOM 755 C ILE A 86 13.185 64.548 117.675 1.00 38.22 C ATOM 756 O ILE A 86 12.790 63.955 116.670 1.00 33.34 O ATOM 757 CB ILE A 86 11.568 66.115 118.829 1.00 30.67 C ATOM 758 CG1 ILE A 86 10.453 66.210 119.873 1.00 31.47 C ATOM 759 CG2 ILE A 86 11.049 66.420 117.401 1.00 33.74 C ATOM 760 CD1 ILE A 86 10.045 67.698 120.185 1.00 37.02 C ATOM 761 H ILE A 86 13.122 65.390 120.759 1.00 0.00 H ATOM 762 N ARG A 87 14.429 65.030 117.774 1.00 31.57 N ATOM 763 CA ARG A 87 15.387 64.841 116.691 1.00 34.30 C ATOM 764 C ARG A 87 15.752 63.364 116.510 1.00 37.30 C ATOM 765 O ARG A 87 15.996 62.919 115.383 1.00 30.59 O ATOM 766 CB ARG A 87 16.639 65.691 116.944 1.00 30.49 C ATOM 767 CG ARG A 87 17.625 65.679 115.781 1.00 48.63 C ATOM 768 CD ARG A 87 18.617 66.825 115.857 1.00 60.37 C ATOM 769 NE ARG A 87 17.990 68.132 115.673 1.00 63.33 N ATOM 770 CZ ARG A 87 17.793 68.709 114.494 1.00 63.33 C ATOM 771 NH1 ARG A 87 18.171 68.097 113.374 1.00 63.03 N ATOM 772 NH2 ARG A 87 17.221 69.900 114.434 1.00 62.29 N ATOM 773 HE ARG A 87 17.677 68.644 116.522 1.00 0.00 H ATOM 774 HH12 ARG A 87 18.014 68.554 112.453 1.00 0.00 H ATOM 775 HH11 ARG A 87 18.623 67.162 113.420 1.00 0.00 H ATOM 776 HH22 ARG A 87 17.065 70.356 113.512 1.00 0.00 H ATOM 777 HH21 ARG A 87 16.928 70.381 115.308 1.00 0.00 H ATOM 778 H ARG A 87 14.716 65.544 118.631 1.00 0.00 H ATOM 779 N GLU A 88 15.795 62.586 117.593 1.00 33.31 N ATOM 780 CA GLU A 88 16.023 61.150 117.443 1.00 31.07 C ATOM 781 C GLU A 88 14.850 60.467 116.742 1.00 29.55 C ATOM 782 O GLU A 88 15.056 59.572 115.917 1.00 28.45 O ATOM 783 CB GLU A 88 16.296 60.489 118.810 1.00 33.72 C ATOM 784 CG GLU A 88 17.662 60.833 119.404 1.00 43.94 C ATOM 785 CD GLU A 88 17.824 60.400 120.865 1.00 68.27 C ATOM 786 OE1 GLU A 88 16.974 59.633 121.367 1.00 70.93 O ATOM 787 OE2 GLU A 88 18.800 60.842 121.515 1.00 76.83 O ATOM 788 H GLU A 88 15.667 62.999 118.539 1.00 0.00 H ATOM 789 N ALA A 89 13.615 60.875 117.052 1.00 30.84 N ATOM 790 CA ALA A 89 12.464 60.331 116.332 1.00 32.36 C ATOM 791 C ALA A 89 12.500 60.733 114.864 1.00 30.76 C ATOM 792 O ALA A 89 12.148 59.940 113.986 1.00 28.31 O ATOM 793 CB ALA A 89 11.162 60.804 116.977 1.00 36.19 C ATOM 794 H ALA A 89 13.473 61.579 117.805 1.00 0.00 H ATOM 795 N PHE A 90 12.923 61.969 114.588 1.00 29.22 N ATOM 796 CA PHE A 90 13.010 62.466 113.229 1.00 31.09 C ATOM 797 C PHE A 90 13.987 61.645 112.407 1.00 32.94 C ATOM 798 O PHE A 90 13.716 61.330 111.242 1.00 31.68 O ATOM 799 CB PHE A 90 13.430 63.939 113.250 1.00 34.21 C ATOM 800 CG PHE A 90 13.562 64.573 111.869 1.00 32.56 C ATOM 801 CD1 PHE A 90 12.451 65.069 111.205 1.00 34.02 C ATOM 802 CD2 PHE A 90 14.805 64.685 111.263 1.00 31.05 C ATOM 803 CE1 PHE A 90 12.571 65.667 109.949 1.00 37.25 C ATOM 804 CE2 PHE A 90 14.941 65.276 110.014 1.00 34.68 C ATOM 805 CZ PHE A 90 13.820 65.776 109.354 1.00 35.56 C ATOM 806 H PHE A 90 13.198 62.594 115.372 1.00 0.00 H ATOM 807 N ARG A 91 15.134 61.295 112.989 1.00 32.16 N ATOM 808 CA ARG A 91 16.126 60.543 112.229 1.00 35.58 C ATOM 809 C ARG A 91 15.682 59.115 111.927 1.00 38.41 C ATOM 810 O ARG A 91 16.218 58.502 110.994 1.00 33.56 O ATOM 811 CB ARG A 91 17.463 60.550 112.966 1.00 33.63 C ATOM 812 CG ARG A 91 18.092 61.929 112.999 1.00 42.04 C ATOM 813 CD ARG A 91 19.463 61.904 113.643 1.00 54.16 C ATOM 814 NE ARG A 91 19.360 61.800 115.089 1.00 70.05 N ATOM 815 CZ ARG A 91 20.091 62.503 115.947 1.00 76.72 C ATOM 816 NH1 ARG A 91 20.983 63.384 115.503 1.00 77.97 N ATOM 817 NH2 ARG A 91 19.918 62.327 117.250 1.00 71.21 N ATOM 818 HE ARG A 91 18.667 61.130 115.479 1.00 0.00 H ATOM 819 HH12 ARG A 91 21.553 63.932 116.178 1.00 0.00 H ATOM 820 HH11 ARG A 91 21.110 63.525 114.480 1.00 0.00 H ATOM 821 HH22 ARG A 91 20.486 62.873 117.928 1.00 0.00 H ATOM 822 HH21 ARG A 91 19.214 61.643 117.593 1.00 0.00 H ATOM 823 H ARG A 91 15.320 61.556 113.978 1.00 0.00 H ATOM 824 N VAL A 92 14.703 58.580 112.666 1.00 32.97 N ATOM 825 CA VAL A 92 14.143 57.280 112.298 1.00 30.05 C ATOM 826 C VAL A 92 13.454 57.363 110.943 1.00 29.73 C ATOM 827 O VAL A 92 13.535 56.435 110.128 1.00 30.90 O ATOM 828 CB VAL A 92 13.158 56.771 113.364 1.00 30.16 C ATOM 829 CG1 VAL A 92 12.520 55.444 112.873 1.00 37.81 C ATOM 830 CG2 VAL A 92 13.839 56.621 114.761 1.00 20.64 C ATOM 831 H VAL A 92 14.342 59.087 113.499 1.00 0.00 H ATOM 832 N PHE A 93 12.719 58.449 110.704 1.00 28.29 N ATOM 833 CA PHE A 93 12.037 58.613 109.430 1.00 30.66 C ATOM 834 C PHE A 93 12.974 59.093 108.324 1.00 36.24 C ATOM 835 O PHE A 93 12.797 58.701 107.165 1.00 32.34 O ATOM 836 CB PHE A 93 10.851 59.570 109.589 1.00 31.65 C ATOM 837 CG PHE A 93 9.744 59.006 110.436 1.00 35.69 C ATOM 838 CD1 PHE A 93 8.843 58.103 109.911 1.00 35.13 C ATOM 839 CD2 PHE A 93 9.595 59.390 111.756 1.00 35.98 C ATOM 840 CE1 PHE A 93 7.824 57.579 110.673 1.00 40.46 C ATOM 841 CE2 PHE A 93 8.570 58.867 112.527 1.00 41.20 C ATOM 842 CZ PHE A 93 7.685 57.962 111.989 1.00 46.17 C ATOM 843 H PHE A 93 12.633 59.185 111.434 1.00 0.00 H ATOM 844 N ASP A 94 13.974 59.917 108.647 1.00 36.07 N ATOM 845 CA ASP A 94 14.862 60.488 107.625 1.00 30.80 C ATOM 846 C ASP A 94 15.944 59.468 107.259 1.00 30.59 C ATOM 847 O ASP A 94 17.130 59.632 107.549 1.00 31.17 O ATOM 848 CB ASP A 94 15.477 61.796 108.115 1.00 37.03 C ATOM 849 CG ASP A 94 16.301 62.501 107.030 1.00 38.78 C ATOM 850 OD1 ASP A 94 16.056 62.235 105.843 1.00 41.96 O ATOM 851 OD2 ASP A 94 17.197 63.303 107.354 1.00 34.55 O ATOM 852 H ASP A 94 14.128 60.161 109.646 1.00 0.00 H ATOM 853 N LYS A 95 15.506 58.409 106.572 1.00 32.55 N ATOM 854 CA LYS A 95 16.381 57.263 106.301 1.00 36.22 C ATOM 855 C LYS A 95 17.645 57.663 105.545 1.00 37.19 C ATOM 856 O LYS A 95 18.742 57.203 105.881 1.00 37.64 O ATOM 857 CB LYS A 95 15.628 56.185 105.521 1.00 30.29 C ATOM 858 CG LYS A 95 16.459 54.897 105.327 1.00 34.56 C ATOM 859 CD LYS A 95 15.667 53.745 104.718 1.00 32.30 C ATOM 860 CE LYS A 95 16.587 52.542 104.442 1.00 36.60 C ATOM 861 NZ LYS A 95 15.844 51.320 104.081 1.00 30.91 N ATOM 862 HZ1 LYS A 95 15.207 51.060 104.861 1.00 0.00 H ATOM 863 HZ2 LYS A 95 15.286 51.496 103.221 1.00 0.00 H ATOM 864 HZ3 LYS A 95 16.516 50.546 103.907 1.00 0.00 H ATOM 865 H LYS A 95 14.526 58.397 106.223 1.00 0.00 H ATOM 866 N ASP A 96 17.522 58.493 104.505 1.00 28.78 N ATOM 867 CA ASP A 96 18.725 58.858 103.767 1.00 34.87 C ATOM 868 C ASP A 96 19.515 59.962 104.462 1.00 42.03 C ATOM 869 O ASP A 96 20.652 60.242 104.062 1.00 45.03 O ATOM 870 CB ASP A 96 18.383 59.256 102.311 1.00 33.66 C ATOM 871 CG ASP A 96 17.665 60.617 102.191 1.00 42.82 C ATOM 872 OD1 ASP A 96 17.415 61.299 103.205 1.00 49.85 O ATOM 873 OD2 ASP A 96 17.351 61.013 101.049 1.00 51.84 O ATOM 874 H ASP A 96 16.592 58.869 104.229 1.00 0.00 H ATOM 875 N GLY A 97 18.938 60.599 105.475 1.00 39.35 N ATOM 876 CA GLY A 97 19.685 61.517 106.314 1.00 46.00 C ATOM 877 C GLY A 97 19.891 62.903 105.747 1.00 39.09 C ATOM 878 O GLY A 97 20.771 63.627 106.220 1.00 38.55 O ATOM 879 H GLY A 97 17.930 60.436 105.671 1.00 0.00 H ATOM 880 N ASN A 98 19.106 63.304 104.758 1.00 40.54 N ATOM 881 CA ASN A 98 19.322 64.590 104.105 1.00 43.94 C ATOM 882 C ASN A 98 18.601 65.743 104.787 1.00 48.67 C ATOM 883 O ASN A 98 18.715 66.876 104.320 1.00 48.88 O ATOM 884 CB ASN A 98 18.910 64.519 102.626 1.00 47.48 C ATOM 885 CG ASN A 98 17.417 64.342 102.444 1.00 43.58 C ATOM 886 OD1 ASN A 98 16.686 64.070 103.400 1.00 38.78 O ATOM 887 ND2 ASN A 98 16.956 64.475 101.207 1.00 46.08 N ATOM 888 HD22 ASN A 98 17.609 64.705 100.431 1.00 0.00 H ATOM 889 HD21 ASN A 98 15.942 64.349 101.014 1.00 0.00 H ATOM 890 H ASN A 98 18.325 62.693 104.443 1.00 0.00 H ATOM 891 N GLY A 99 17.878 65.491 105.878 1.00 41.36 N ATOM 892 CA GLY A 99 17.210 66.539 106.618 1.00 38.65 C ATOM 893 C GLY A 99 15.744 66.711 106.291 1.00 40.61 C ATOM 894 O GLY A 99 15.104 67.610 106.846 1.00 42.54 O ATOM 895 H GLY A 99 17.791 64.509 106.208 1.00 0.00 H ATOM 896 N TYR A 100 15.192 65.877 105.419 1.00 34.48 N ATOM 897 CA TYR A 100 13.805 65.998 105.003 1.00 46.63 C ATOM 898 C TYR A 100 13.188 64.611 104.970 1.00 44.72 C ATOM 899 O TYR A 100 13.807 63.669 104.477 1.00 43.67 O ATOM 900 CB TYR A 100 13.691 66.673 103.615 1.00 49.52 C ATOM 901 CG TYR A 100 14.400 68.017 103.543 1.00 58.37 C ATOM 902 CD1 TYR A 100 13.763 69.183 103.956 1.00 55.64 C ATOM 903 CD2 TYR A 100 15.703 68.117 103.077 1.00 55.81 C ATOM 904 CE1 TYR A 100 14.407 70.401 103.915 1.00 61.95 C ATOM 905 CE2 TYR A 100 16.352 69.339 103.022 1.00 58.51 C ATOM 906 CZ TYR A 100 15.701 70.474 103.446 1.00 66.04 C ATOM 907 OH TYR A 100 16.345 71.692 103.398 1.00 75.06 O ATOM 908 HH TYR A 100 15.739 72.398 103.737 1.00 0.00 H ATOM 909 H TYR A 100 15.771 65.111 105.020 1.00 0.00 H ATOM 910 N ILE A 101 11.977 64.488 105.499 1.00 43.35 N ATOM 911 CA ILE A 101 11.204 63.259 105.389 1.00 39.99 C ATOM 912 C ILE A 101 10.399 63.346 104.099 1.00 39.28 C ATOM 913 O ILE A 101 9.454 64.131 104.001 1.00 43.95 O ATOM 914 CB ILE A 101 10.285 63.054 106.599 1.00 45.31 C ATOM 915 CG1 ILE A 101 11.102 62.976 107.895 1.00 40.52 C ATOM 916 CG2 ILE A 101 9.441 61.796 106.419 1.00 45.57 C ATOM 917 CD1 ILE A 101 10.261 63.125 109.150 1.00 44.14 C ATOM 918 H ILE A 101 11.567 65.296 106.009 1.00 0.00 H ATOM 919 N SER A 102 10.774 62.548 103.103 1.00 39.01 N ATOM 920 CA SER A 102 9.979 62.460 101.884 1.00 36.98 C ATOM 921 C SER A 102 8.747 61.579 102.117 1.00 40.28 C ATOM 922 O SER A 102 8.625 60.893 103.130 1.00 37.88 O ATOM 923 CB SER A 102 10.830 61.904 100.751 1.00 37.71 C ATOM 924 OG SER A 102 10.988 60.493 100.913 1.00 33.47 O ATOM 925 HG SER A 102 11.542 60.137 100.174 1.00 0.00 H ATOM 926 H SER A 102 11.642 61.982 103.195 1.00 0.00 H ATOM 927 N ALA A 103 7.819 61.605 101.156 1.00 39.03 N ATOM 928 CA ALA A 103 6.646 60.735 101.241 1.00 37.32 C ATOM 929 C ALA A 103 7.047 59.262 101.223 1.00 41.98 C ATOM 930 O ALA A 103 6.431 58.430 101.901 1.00 42.40 O ATOM 931 CB ALA A 103 5.684 61.027 100.081 1.00 40.67 C ATOM 932 H ALA A 103 7.931 62.246 100.345 1.00 0.00 H ATOM 933 N ALA A 104 8.061 58.919 100.428 1.00 37.99 N ATOM 934 CA ALA A 104 8.494 57.531 100.338 1.00 39.69 C ATOM 935 C ALA A 104 9.143 57.085 101.639 1.00 39.76 C ATOM 936 O ALA A 104 8.871 55.985 102.125 1.00 33.00 O ATOM 937 CB ALA A 104 9.446 57.359 99.158 1.00 34.20 C ATOM 938 H ALA A 104 8.547 59.648 99.868 1.00 0.00 H ATOM 939 N GLU A 105 9.972 57.946 102.238 1.00 32.58 N ATOM 940 CA GLU A 105 10.543 57.634 103.541 1.00 36.05 C ATOM 941 C GLU A 105 9.454 57.462 104.588 1.00 35.86 C ATOM 942 O GLU A 105 9.507 56.536 105.399 1.00 33.68 O ATOM 943 CB GLU A 105 11.517 58.731 103.955 1.00 33.12 C ATOM 944 CG GLU A 105 12.862 58.627 103.278 1.00 30.91 C ATOM 945 CD GLU A 105 13.763 59.808 103.577 1.00 33.18 C ATOM 946 OE1 GLU A 105 13.241 60.928 103.805 1.00 33.24 O ATOM 947 OE2 GLU A 105 14.996 59.602 103.602 1.00 32.56 O ATOM 948 H GLU A 105 10.211 58.844 101.771 1.00 0.00 H ATOM 949 N LEU A 106 8.451 58.339 104.587 1.00 33.69 N ATOM 950 CA LEU A 106 7.374 58.210 105.563 1.00 36.81 C ATOM 951 C LEU A 106 6.607 56.905 105.373 1.00 36.34 C ATOM 952 O LEU A 106 6.307 56.204 106.344 1.00 39.36 O ATOM 953 CB LEU A 106 6.428 59.409 105.467 1.00 38.27 C ATOM 954 CG LEU A 106 5.194 59.248 106.346 1.00 37.41 C ATOM 955 CD1 LEU A 106 5.610 59.276 107.812 1.00 38.63 C ATOM 956 CD2 LEU A 106 4.177 60.337 106.041 1.00 47.75 C ATOM 957 H LEU A 106 8.436 59.113 103.893 1.00 0.00 H ATOM 958 N ARG A 107 6.273 56.570 104.127 1.00 34.59 N ATOM 959 CA ARG A 107 5.547 55.331 103.850 1.00 36.82 C ATOM 960 C ARG A 107 6.374 54.108 104.233 1.00 29.49 C ATOM 961 O ARG A 107 5.866 53.164 104.849 1.00 31.52 O ATOM 962 CB ARG A 107 5.161 55.277 102.369 1.00 33.43 C ATOM 963 CG ARG A 107 4.540 53.949 101.947 1.00 41.48 C ATOM 964 CD ARG A 107 4.214 53.918 100.454 1.00 39.37 C ATOM 965 NE ARG A 107 5.392 54.150 99.620 1.00 42.79 N ATOM 966 CZ ARG A 107 5.350 54.435 98.319 1.00 51.99 C ATOM 967 NH1 ARG A 107 4.183 54.522 97.685 1.00 47.10 N ATOM 968 NH2 ARG A 107 6.483 54.626 97.649 1.00 51.32 N ATOM 969 HE ARG A 107 6.326 54.088 100.073 1.00 0.00 H ATOM 970 HH12 ARG A 107 4.158 54.745 96.669 1.00 0.00 H ATOM 971 HH11 ARG A 107 3.296 54.367 98.205 1.00 0.00 H ATOM 972 HH22 ARG A 107 6.455 54.849 96.633 1.00 0.00 H ATOM 973 HH21 ARG A 107 7.397 54.553 98.141 1.00 0.00 H ATOM 974 H ARG A 107 6.532 57.199 103.340 1.00 0.00 H ATOM 975 N HIS A 108 7.663 54.123 103.889 1.00 32.89 N ATOM 976 CA HIS A 108 8.550 52.997 104.156 1.00 29.14 C ATOM 977 C HIS A 108 8.699 52.735 105.656 1.00 40.14 C ATOM 978 O HIS A 108 8.486 51.609 106.125 1.00 30.45 O ATOM 979 CB HIS A 108 9.908 53.278 103.521 1.00 31.79 C ATOM 980 CG HIS A 108 10.962 52.265 103.837 1.00 29.23 C ATOM 981 ND1 HIS A 108 11.169 51.145 103.063 1.00 32.81 N ATOM 982 CD2 HIS A 108 11.884 52.213 104.830 1.00 27.00 C ATOM 983 CE1 HIS A 108 12.170 50.446 103.563 1.00 35.62 C ATOM 984 NE2 HIS A 108 12.621 51.069 104.636 1.00 32.79 N ATOM 985 H HIS A 108 8.048 54.965 103.415 1.00 0.00 H ATOM 986 N VAL A 109 9.086 53.760 106.421 1.00 31.43 N ATOM 987 CA VAL A 109 9.305 53.570 107.849 1.00 32.28 C ATOM 988 C VAL A 109 8.005 53.196 108.546 1.00 33.34 C ATOM 989 O VAL A 109 7.987 52.323 109.418 1.00 35.67 O ATOM 990 CB VAL A 109 9.941 54.828 108.467 1.00 33.36 C ATOM 991 CG1 VAL A 109 10.015 54.697 109.990 1.00 34.42 C ATOM 992 CG2 VAL A 109 11.330 55.041 107.889 1.00 32.41 C ATOM 993 H VAL A 109 9.232 54.698 105.995 1.00 0.00 H ATOM 994 N MET A 110 6.899 53.846 108.187 1.00 34.07 N ATOM 995 CA MET A 110 5.649 53.547 108.875 1.00 32.94 C ATOM 996 C MET A 110 5.221 52.108 108.627 1.00 45.50 C ATOM 997 O MET A 110 4.772 51.423 109.554 1.00 41.92 O ATOM 998 CB MET A 110 4.556 54.529 108.448 1.00 36.70 C ATOM 999 CG MET A 110 4.743 55.921 109.047 1.00 41.68 C ATOM 1000 SD MET A 110 4.302 56.028 110.798 1.00 53.12 S ATOM 1001 CE MET A 110 2.521 55.881 110.734 1.00 55.47 C ATOM 1002 H MET A 110 6.927 54.556 107.427 1.00 0.00 H ATOM 1003 N THR A 111 5.365 51.627 107.387 1.00 44.82 N ATOM 1004 CA THR A 111 5.073 50.226 107.100 1.00 37.52 C ATOM 1005 C THR A 111 5.904 49.300 107.984 1.00 39.10 C ATOM 1006 O THR A 111 5.371 48.376 108.615 1.00 34.31 O ATOM 1007 CB THR A 111 5.318 49.926 105.616 1.00 39.33 C ATOM 1008 OG1 THR A 111 4.382 50.657 104.815 1.00 40.89 O ATOM 1009 CG2 THR A 111 5.147 48.452 105.341 1.00 44.99 C ATOM 1010 HG1 THR A 111 4.497 51.627 104.978 1.00 0.00 H ATOM 1011 H THR A 111 5.687 52.255 106.623 1.00 0.00 H ATOM 1012 N ASN A 112 7.215 49.544 108.059 1.00 29.89 N ATOM 1013 CA ASN A 112 8.079 48.661 108.824 1.00 24.81 C ATOM 1014 C ASN A 112 7.830 48.767 110.327 1.00 38.26 C ATOM 1015 O ASN A 112 8.231 47.865 111.067 1.00 34.32 O ATOM 1016 CB ASN A 112 9.546 48.950 108.486 1.00 22.25 C ATOM 1017 CG ASN A 112 9.898 48.497 107.073 1.00 31.56 C ATOM 1018 OD1 ASN A 112 9.121 47.777 106.463 1.00 37.38 O ATOM 1019 ND2 ASN A 112 11.073 48.880 106.571 1.00 30.68 N ATOM 1020 HD22 ASN A 112 11.701 49.494 107.128 1.00 0.00 H ATOM 1021 HD21 ASN A 112 11.361 48.565 105.623 1.00 0.00 H ATOM 1022 H ASN A 112 7.618 50.368 107.569 1.00 0.00 H ATOM 1023 N LEU A 113 7.165 49.825 110.791 1.00 36.54 N ATOM 1024 CA LEU A 113 6.768 49.938 112.190 1.00 37.66 C ATOM 1025 C LEU A 113 5.340 49.458 112.432 1.00 47.03 C ATOM 1026 O LEU A 113 4.791 49.702 113.510 1.00 53.17 O ATOM 1027 CB LEU A 113 6.918 51.383 112.684 1.00 33.49 C ATOM 1028 CG LEU A 113 8.285 52.078 112.609 1.00 36.09 C ATOM 1029 CD1 LEU A 113 8.188 53.499 113.159 1.00 42.00 C ATOM 1030 CD2 LEU A 113 9.393 51.312 113.297 1.00 34.71 C ATOM 1031 H LEU A 113 6.922 50.594 110.135 1.00 0.00 H ATOM 1032 N GLY A 114 4.722 48.798 111.456 1.00 44.55 N ATOM 1033 CA GLY A 114 3.443 48.151 111.662 1.00 52.38 C ATOM 1034 C GLY A 114 2.240 48.931 111.188 1.00 51.23 C ATOM 1035 O GLY A 114 1.123 48.394 111.215 1.00 47.79 O ATOM 1036 H GLY A 114 5.170 48.745 110.519 1.00 0.00 H ATOM 1037 N GLU A 115 2.427 50.164 110.743 1.00 62.36 N ATOM 1038 CA GLU A 115 1.344 50.999 110.238 1.00 76.48 C ATOM 1039 C GLU A 115 1.486 51.129 108.730 1.00 80.48 C ATOM 1040 O GLU A 115 2.367 51.847 108.246 1.00 76.59 O ATOM 1041 CB GLU A 115 1.373 52.377 110.888 1.00 85.34 C ATOM 1042 CG GLU A 115 0.102 53.170 110.702 1.00 94.37 C ATOM 1043 CD GLU A 115 -1.043 52.594 111.502 1.00101.24 C ATOM 1044 OE1 GLU A 115 -0.828 52.287 112.695 1.00101.60 O ATOM 1045 OE2 GLU A 115 -2.151 52.450 110.942 1.00103.67 O ATOM 1046 H GLU A 115 3.391 50.555 110.754 1.00 0.00 H ATOM 1047 N LYS A 116 0.623 50.458 107.978 1.00 83.35 N ATOM 1048 CA LYS A 116 0.586 50.666 106.538 1.00 84.41 C ATOM 1049 C LYS A 116 -0.604 51.562 106.235 1.00 82.33 C ATOM 1050 O LYS A 116 -1.758 51.183 106.463 1.00 88.53 O ATOM 1051 CB LYS A 116 0.522 49.359 105.750 1.00 88.91 C ATOM 1052 CG LYS A 116 0.690 49.611 104.249 1.00 89.53 C ATOM 1053 CD LYS A 116 0.178 48.483 103.378 1.00 93.29 C ATOM 1054 CE LYS A 116 1.337 47.755 102.705 1.00 91.62 C ATOM 1055 NZ LYS A 116 0.903 47.077 101.455 1.00 91.23 N ATOM 1056 HZ1 LYS A 116 0.162 46.382 101.678 1.00 0.00 H ATOM 1057 HZ2 LYS A 116 0.528 47.784 100.791 1.00 0.00 H ATOM 1058 HZ3 LYS A 116 1.716 46.593 101.024 1.00 0.00 H ATOM 1059 H LYS A 116 -0.030 49.780 108.420 1.00 0.00 H ATOM 1060 N LEU A 117 -0.310 52.762 105.763 1.00 75.80 N ATOM 1061 CA LEU A 117 -1.296 53.695 105.259 1.00 67.76 C ATOM 1062 C LEU A 117 -1.298 53.624 103.739 1.00 67.60 C ATOM 1063 O LEU A 117 -0.359 53.113 103.124 1.00 66.62 O ATOM 1064 CB LEU A 117 -0.967 55.110 105.734 1.00 71.12 C ATOM 1065 CG LEU A 117 -0.616 55.126 107.224 1.00 74.51 C ATOM 1066 CD1 LEU A 117 0.881 55.346 107.438 1.00 65.57 C ATOM 1067 CD2 LEU A 117 -1.437 56.144 107.981 1.00 79.29 C ATOM 1068 H LEU A 117 0.688 53.053 105.753 1.00 0.00 H ATOM 1069 N THR A 118 -2.367 54.132 103.133 1.00 71.63 N ATOM 1070 CA THR A 118 -2.421 54.158 101.679 1.00 74.55 C ATOM 1071 C THR A 118 -1.438 55.187 101.127 1.00 73.53 C ATOM 1072 O THR A 118 -0.796 55.941 101.863 1.00 79.88 O ATOM 1073 CB THR A 118 -3.826 54.489 101.181 1.00 76.93 C ATOM 1074 OG1 THR A 118 -4.039 55.905 101.258 1.00 80.07 O ATOM 1075 CG2 THR A 118 -4.873 53.775 102.011 1.00 80.58 C ATOM 1076 HG1 THR A 118 -4.950 56.119 100.935 1.00 0.00 H ATOM 1077 H THR A 118 -3.158 54.508 103.694 1.00 0.00 H ATOM 1078 N ASP A 119 -1.335 55.219 99.800 1.00 69.67 N ATOM 1079 CA ASP A 119 -0.460 56.194 99.160 1.00 72.66 C ATOM 1080 C ASP A 119 -0.942 57.624 99.377 1.00 73.17 C ATOM 1081 O ASP A 119 -0.117 58.529 99.555 1.00 67.90 O ATOM 1082 CB ASP A 119 -0.344 55.897 97.665 1.00 81.91 C ATOM 1083 CG ASP A 119 0.790 54.940 97.344 1.00 80.79 C ATOM 1084 OD1 ASP A 119 1.411 54.399 98.285 1.00 76.74 O ATOM 1085 OD2 ASP A 119 1.058 54.734 96.142 1.00 82.82 O ATOM 1086 H ASP A 119 -1.879 54.549 99.220 1.00 0.00 H ATOM 1087 N GLU A 120 -2.257 57.851 99.387 1.00 75.93 N ATOM 1088 CA GLU A 120 -2.746 59.224 99.451 1.00 85.18 C ATOM 1089 C GLU A 120 -2.876 59.712 100.892 1.00 91.37 C ATOM 1090 O GLU A 120 -2.819 60.922 101.142 1.00 97.71 O ATOM 1091 CB GLU A 120 -4.074 59.349 98.698 1.00 87.33 C ATOM 1092 CG GLU A 120 -5.285 58.741 99.382 1.00 91.12 C ATOM 1093 CD GLU A 120 -6.093 59.776 100.154 1.00102.11 C ATOM 1094 OE1 GLU A 120 -7.023 59.390 100.897 1.00103.05 O ATOM 1095 OE2 GLU A 120 -5.793 60.983 100.025 1.00103.46 O ATOM 1096 H GLU A 120 -2.927 57.056 99.350 1.00 0.00 H ATOM 1097 N GLU A 121 -3.066 58.798 101.851 1.00 85.80 N ATOM 1098 CA GLU A 121 -2.845 59.153 103.251 1.00 81.80 C ATOM 1099 C GLU A 121 -1.462 59.753 103.424 1.00 77.13 C ATOM 1100 O GLU A 121 -1.301 60.841 103.990 1.00 76.18 O ATOM 1101 CB GLU A 121 -2.961 57.929 104.167 1.00 80.41 C ATOM 1102 CG GLU A 121 -4.319 57.287 104.326 1.00 82.15 C ATOM 1103 CD GLU A 121 -4.256 56.099 105.284 1.00 81.96 C ATOM 1104 OE1 GLU A 121 -4.344 54.937 104.833 1.00 82.26 O ATOM 1105 OE2 GLU A 121 -4.106 56.330 106.501 1.00 79.54 O ATOM 1106 H GLU A 121 -3.371 57.836 101.600 1.00 0.00 H ATOM 1107 N VAL A 122 -0.445 59.031 102.948 1.00 72.54 N ATOM 1108 CA VAL A 122 0.942 59.459 103.088 1.00 70.78 C ATOM 1109 C VAL A 122 1.152 60.812 102.417 1.00 74.40 C ATOM 1110 O VAL A 122 1.737 61.731 103.003 1.00 71.94 O ATOM 1111 CB VAL A 122 1.889 58.392 102.510 1.00 66.40 C ATOM 1112 CG1 VAL A 122 3.280 58.961 102.302 1.00 66.15 C ATOM 1113 CG2 VAL A 122 1.931 57.156 103.404 1.00 61.85 C ATOM 1114 H VAL A 122 -0.648 58.134 102.462 1.00 0.00 H ATOM 1115 N ASP A 123 0.681 60.948 101.172 1.00 71.29 N ATOM 1116 CA ASP A 123 0.871 62.199 100.447 1.00 67.44 C ATOM 1117 C ASP A 123 0.223 63.367 101.176 1.00 68.46 C ATOM 1118 O ASP A 123 0.733 64.491 101.115 1.00 64.58 O ATOM 1119 CB ASP A 123 0.309 62.091 99.026 1.00 70.65 C ATOM 1120 CG ASP A 123 1.242 61.354 98.064 1.00 80.02 C ATOM 1121 OD1 ASP A 123 2.228 60.723 98.513 1.00 78.03 O ATOM 1122 OD2 ASP A 123 0.983 61.416 96.840 1.00 82.55 O ATOM 1123 H ASP A 123 0.177 60.158 100.720 1.00 0.00 H ATOM 1124 N GLU A 124 -0.886 63.124 101.884 1.00 71.72 N ATOM 1125 CA GLU A 124 -1.546 64.208 102.603 1.00 75.09 C ATOM 1126 C GLU A 124 -0.837 64.527 103.916 1.00 70.94 C ATOM 1127 O GLU A 124 -0.777 65.693 104.318 1.00 66.56 O ATOM 1128 CB GLU A 124 -3.014 63.863 102.853 1.00 82.25 C ATOM 1129 CG GLU A 124 -3.951 65.037 102.613 1.00 94.83 C ATOM 1130 CD GLU A 124 -3.818 66.116 103.675 1.00101.64 C ATOM 1131 OE1 GLU A 124 -4.265 65.882 104.818 1.00103.99 O ATOM 1132 OE2 GLU A 124 -3.264 67.195 103.367 1.00102.59 O ATOM 1133 H GLU A 124 -1.278 62.161 101.922 1.00 0.00 H ATOM 1134 N MET A 125 -0.293 63.511 104.593 1.00 65.21 N ATOM 1135 CA MET A 125 0.514 63.755 105.785 1.00 60.21 C ATOM 1136 C MET A 125 1.704 64.655 105.478 1.00 57.55 C ATOM 1137 O MET A 125 1.941 65.643 106.175 1.00 60.42 O ATOM 1138 CB MET A 125 0.996 62.437 106.376 1.00 59.99 C ATOM 1139 CG MET A 125 -0.076 61.623 107.028 1.00 63.28 C ATOM 1140 SD MET A 125 0.655 60.191 107.837 1.00 73.50 S ATOM 1141 CE MET A 125 -0.801 59.504 108.607 1.00 77.61 C ATOM 1142 H MET A 125 -0.446 62.535 104.267 1.00 0.00 H ATOM 1143 N ILE A 126 2.370 64.393 104.362 1.00 63.69 N ATOM 1144 CA ILE A 126 3.531 65.228 103.956 1.00 58.23 C ATOM 1145 C ILE A 126 3.025 66.630 103.623 1.00 66.48 C ATOM 1146 O ILE A 126 3.627 67.583 104.085 1.00 62.95 O ATOM 1147 CB ILE A 126 4.328 64.599 102.807 1.00 56.41 C ATOM 1148 CG1 ILE A 126 5.154 63.410 103.301 1.00 50.77 C ATOM 1149 CG2 ILE A 126 5.216 65.627 102.138 1.00 55.56 C ATOM 1150 CD1 ILE A 126 6.501 63.781 103.823 1.00 43.08 C ATOM 1151 H ILE A 126 2.077 63.594 103.764 1.00 0.00 H ATOM 1152 N ARG A 127 1.929 66.709 102.882 1.00 64.63 N ATOM 1153 CA ARG A 127 1.338 68.000 102.461 1.00 72.88 C ATOM 1154 C ARG A 127 1.021 68.821 103.706 1.00 74.65 C ATOM 1155 O ARG A 127 1.508 69.922 103.807 1.00 71.97 O ATOM 1156 CB ARG A 127 0.044 67.728 101.694 1.00 84.06 C ATOM 1157 CG ARG A 127 -0.033 68.408 100.342 1.00 86.44 C ATOM 1158 CD ARG A 127 -1.087 67.818 99.431 1.00 93.57 C ATOM 1159 NE ARG A 127 -0.534 66.663 98.736 1.00103.46 N ATOM 1160 CZ ARG A 127 -1.169 65.507 98.516 1.00107.71 C ATOM 1161 NH1 ARG A 127 -2.420 65.353 98.922 1.00116.78 N ATOM 1162 NH2 ARG A 127 -0.560 64.530 97.861 1.00108.93 N ATOM 1163 HE ARG A 127 0.440 66.745 98.380 1.00 0.00 H ATOM 1164 HH12 ARG A 127 -2.915 64.454 98.752 1.00 0.00 H ATOM 1165 HH11 ARG A 127 -2.907 66.131 99.411 1.00 0.00 H ATOM 1166 HH22 ARG A 127 -1.055 63.631 97.690 1.00 0.00 H ATOM 1167 HH21 ARG A 127 0.413 64.662 97.517 1.00 0.00 H ATOM 1168 H ARG A 127 1.465 65.828 102.584 1.00 0.00 H ATOM 1169 N GLU A 128 0.238 68.247 104.601 1.00 64.13 N ATOM 1170 CA GLU A 128 -0.192 68.928 105.836 1.00 67.38 C ATOM 1171 C GLU A 128 0.999 69.544 106.575 1.00 69.67 C ATOM 1172 O GLU A 128 0.956 70.716 106.861 1.00 72.65 O ATOM 1173 CB GLU A 128 -0.906 67.918 106.719 1.00 73.74 C ATOM 1174 CG GLU A 128 -2.091 68.494 107.429 1.00 79.35 C ATOM 1175 CD GLU A 128 -3.064 67.449 107.915 1.00 86.30 C ATOM 1176 OE1 GLU A 128 -3.981 67.110 107.173 1.00 85.14 O ATOM 1177 OE2 GLU A 128 -2.888 66.989 109.041 1.00 86.14 O ATOM 1178 H GLU A 128 -0.089 67.275 104.428 1.00 0.00 H ATOM 1179 N ALA A 129 2.040 68.773 106.857 1.00 69.80 N ATOM 1180 CA ALA A 129 3.142 69.303 107.646 1.00 63.84 C ATOM 1181 C ALA A 129 4.170 70.054 106.817 1.00 57.90 C ATOM 1182 O ALA A 129 5.088 70.647 107.397 1.00 56.56 O ATOM 1183 CB ALA A 129 3.839 68.170 108.396 1.00 63.15 C ATOM 1184 H ALA A 129 2.069 67.791 106.515 1.00 0.00 H ATOM 1185 N ASP A 130 4.044 70.035 105.486 1.00 57.48 N ATOM 1186 CA ASP A 130 4.946 70.744 104.577 1.00 55.62 C ATOM 1187 C ASP A 130 4.582 72.224 104.597 1.00 64.92 C ATOM 1188 O ASP A 130 3.729 72.685 103.839 1.00 73.81 O ATOM 1189 CB ASP A 130 4.846 70.180 103.165 1.00 55.59 C ATOM 1190 CG ASP A 130 5.870 70.781 102.223 1.00 60.60 C ATOM 1191 OD1 ASP A 130 6.875 71.325 102.733 1.00 54.93 O ATOM 1192 OD2 ASP A 130 5.678 70.710 100.980 1.00 58.33 O ATOM 1193 H ASP A 130 3.262 69.486 105.074 1.00 0.00 H ATOM 1194 N ILE A 131 5.246 72.986 105.465 1.00 63.17 N ATOM 1195 CA ILE A 131 4.935 74.410 105.575 1.00 62.09 C ATOM 1196 C ILE A 131 5.479 75.175 104.380 1.00 66.28 C ATOM 1197 O ILE A 131 4.734 75.878 103.683 1.00 74.58 O ATOM 1198 CB ILE A 131 5.477 74.978 106.901 1.00 62.26 C ATOM 1199 CG1 ILE A 131 4.972 74.144 108.078 1.00 65.01 C ATOM 1200 CG2 ILE A 131 5.115 76.482 107.044 1.00 60.75 C ATOM 1201 CD1 ILE A 131 3.519 74.388 108.431 1.00 70.83 C ATOM 1202 H ILE A 131 5.986 72.568 106.064 1.00 0.00 H ATOM 1203 N ASP A 132 6.781 75.064 104.120 1.00 66.35 N ATOM 1204 CA ASP A 132 7.427 75.871 103.090 1.00 70.68 C ATOM 1205 C ASP A 132 7.160 75.373 101.669 1.00 62.21 C ATOM 1206 O ASP A 132 7.667 75.975 100.719 1.00 70.37 O ATOM 1207 CB ASP A 132 8.941 75.957 103.358 1.00 73.08 C ATOM 1208 CG ASP A 132 9.644 74.589 103.295 1.00 74.03 C ATOM 1209 OD1 ASP A 132 9.159 73.691 102.594 1.00 71.88 O ATOM 1210 OD2 ASP A 132 10.693 74.411 103.950 1.00 76.12 O ATOM 1211 H ASP A 132 7.351 74.386 104.665 1.00 0.00 H ATOM 1212 N GLY A 133 6.413 74.284 101.498 1.00 63.60 N ATOM 1213 CA GLY A 133 5.984 73.853 100.180 1.00 68.16 C ATOM 1214 C GLY A 133 7.020 73.198 99.296 1.00 70.18 C ATOM 1215 O GLY A 133 6.804 73.106 98.081 1.00 65.14 O ATOM 1216 H GLY A 133 6.130 73.728 102.330 1.00 0.00 H ATOM 1217 N ASP A 134 8.131 72.719 99.854 1.00 66.00 N ATOM 1218 CA ASP A 134 9.138 72.045 99.044 1.00 64.85 C ATOM 1219 C ASP A 134 8.821 70.568 98.812 1.00 62.65 C ATOM 1220 O ASP A 134 9.583 69.881 98.120 1.00 56.04 O ATOM 1221 CB ASP A 134 10.527 72.206 99.686 1.00 67.12 C ATOM 1222 CG ASP A 134 10.731 71.301 100.897 1.00 64.47 C ATOM 1223 OD1 ASP A 134 9.734 70.895 101.525 1.00 60.95 O ATOM 1224 OD2 ASP A 134 11.898 70.987 101.212 1.00 66.12 O ATOM 1225 H ASP A 134 8.281 72.827 100.877 1.00 0.00 H ATOM 1226 N GLY A 135 7.714 70.065 99.366 1.00 59.03 N ATOM 1227 CA GLY A 135 7.310 68.692 99.165 1.00 53.85 C ATOM 1228 C GLY A 135 7.813 67.703 100.204 1.00 57.47 C ATOM 1229 O GLY A 135 7.471 66.516 100.125 1.00 60.07 O ATOM 1230 H GLY A 135 7.124 70.681 99.961 1.00 0.00 H ATOM 1231 N GLN A 136 8.615 68.145 101.165 1.00 49.77 N ATOM 1232 CA GLN A 136 9.219 67.266 102.152 1.00 46.99 C ATOM 1233 C GLN A 136 9.100 67.907 103.529 1.00 53.28 C ATOM 1234 O GLN A 136 8.836 69.104 103.653 1.00 48.52 O ATOM 1235 CB GLN A 136 10.681 66.991 101.798 1.00 48.67 C ATOM 1236 CG GLN A 136 10.860 66.146 100.550 1.00 63.31 C ATOM 1237 CD GLN A 136 12.312 65.823 100.288 1.00 68.26 C ATOM 1238 OE1 GLN A 136 12.829 64.811 100.768 1.00 67.11 O ATOM 1239 NE2 GLN A 136 12.983 66.681 99.527 1.00 71.17 N ATOM 1240 HE22 GLN A 136 12.504 67.521 99.144 1.00 0.00 H ATOM 1241 HE21 GLN A 136 13.987 66.512 99.314 1.00 0.00 H ATOM 1242 H GLN A 136 8.820 69.163 101.214 1.00 0.00 H ATOM 1243 N VAL A 137 9.288 67.108 104.576 1.00 46.54 N ATOM 1244 CA VAL A 137 9.087 67.565 105.948 1.00 48.80 C ATOM 1245 C VAL A 137 10.447 67.698 106.618 1.00 47.77 C ATOM 1246 O VAL A 137 11.128 66.700 106.875 1.00 45.77 O ATOM 1247 CB VAL A 137 8.175 66.619 106.737 1.00 46.16 C ATOM 1248 CG1 VAL A 137 8.075 67.080 108.172 1.00 42.70 C ATOM 1249 CG2 VAL A 137 6.800 66.547 106.083 1.00 47.91 C ATOM 1250 H VAL A 137 9.588 66.126 104.412 1.00 0.00 H ATOM 1251 N ASN A 138 10.848 68.924 106.926 1.00 46.91 N ATOM 1252 CA ASN A 138 12.100 69.109 107.634 1.00 45.82 C ATOM 1253 C ASN A 138 11.862 69.052 109.138 1.00 38.23 C ATOM 1254 O ASN A 138 10.747 68.830 109.621 1.00 43.81 O ATOM 1255 CB ASN A 138 12.790 70.411 107.213 1.00 50.49 C ATOM 1256 CG ASN A 138 12.036 71.666 107.630 1.00 46.08 C ATOM 1257 OD1 ASN A 138 11.146 71.638 108.479 1.00 47.39 O ATOM 1258 ND2 ASN A 138 12.391 72.789 107.005 1.00 48.53 N ATOM 1259 HD22 ASN A 138 13.149 72.771 106.293 1.00 0.00 H ATOM 1260 HD21 ASN A 138 11.910 73.683 107.230 1.00 0.00 H ATOM 1261 H ASN A 138 10.269 69.747 106.662 1.00 0.00 H ATOM 1262 N TYR A 139 12.936 69.270 109.889 1.00 39.04 N ATOM 1263 CA TYR A 139 12.874 69.089 111.335 1.00 45.50 C ATOM 1264 C TYR A 139 11.866 70.039 111.973 1.00 51.31 C ATOM 1265 O TYR A 139 10.987 69.613 112.732 1.00 43.76 O ATOM 1266 CB TYR A 139 14.259 69.287 111.946 1.00 43.82 C ATOM 1267 CG TYR A 139 14.229 69.254 113.444 1.00 42.51 C ATOM 1268 CD1 TYR A 139 14.173 68.040 114.118 1.00 49.27 C ATOM 1269 CD2 TYR A 139 14.229 70.429 114.193 1.00 50.49 C ATOM 1270 CE1 TYR A 139 14.130 67.987 115.480 1.00 39.14 C ATOM 1271 CE2 TYR A 139 14.193 70.389 115.583 1.00 48.70 C ATOM 1272 CZ TYR A 139 14.143 69.154 116.215 1.00 49.16 C ATOM 1273 OH TYR A 139 14.099 69.065 117.579 1.00 51.66 O ATOM 1274 HH TYR A 139 14.067 68.112 117.846 1.00 0.00 H ATOM 1275 H TYR A 139 13.826 69.571 109.443 1.00 0.00 H ATOM 1276 N GLU A 140 11.982 71.334 111.682 1.00 47.84 N ATOM 1277 CA GLU A 140 11.081 72.291 112.317 1.00 55.72 C ATOM 1278 C GLU A 140 9.630 71.989 111.974 1.00 52.47 C ATOM 1279 O GLU A 140 8.741 72.150 112.820 1.00 47.27 O ATOM 1280 CB GLU A 140 11.453 73.718 111.914 1.00 52.55 C ATOM 1281 CG GLU A 140 12.514 74.354 112.821 1.00 72.77 C ATOM 1282 CD GLU A 140 12.138 74.354 114.312 1.00 91.85 C ATOM 1283 OE1 GLU A 140 10.929 74.435 114.633 1.00 97.07 O ATOM 1284 OE2 GLU A 140 13.056 74.276 115.162 1.00 94.18 O ATOM 1285 H GLU A 140 12.706 71.659 111.010 1.00 0.00 H ATOM 1286 N GLU A 141 9.376 71.518 110.754 1.00 54.86 N ATOM 1287 CA GLU A 141 8.024 71.115 110.397 1.00 56.41 C ATOM 1288 C GLU A 141 7.608 69.857 111.147 1.00 50.93 C ATOM 1289 O GLU A 141 6.451 69.747 111.564 1.00 56.23 O ATOM 1290 CB GLU A 141 7.920 70.929 108.879 1.00 50.54 C ATOM 1291 CG GLU A 141 8.053 72.242 108.098 1.00 55.74 C ATOM 1292 CD GLU A 141 8.261 72.039 106.602 1.00 63.85 C ATOM 1293 OE1 GLU A 141 8.632 70.918 106.196 1.00 62.90 O ATOM 1294 OE2 GLU A 141 8.049 72.999 105.829 1.00 54.47 O ATOM 1295 H GLU A 141 10.144 71.438 110.057 1.00 0.00 H ATOM 1296 N PHE A 142 8.538 68.913 111.346 1.00 49.86 N ATOM 1297 CA PHE A 142 8.265 67.729 112.162 1.00 48.74 C ATOM 1298 C PHE A 142 7.913 68.111 113.603 1.00 47.04 C ATOM 1299 O PHE A 142 6.973 67.560 114.188 1.00 50.35 O ATOM 1300 CB PHE A 142 9.484 66.800 112.126 1.00 37.33 C ATOM 1301 CG PHE A 142 9.287 65.463 112.805 1.00 43.10 C ATOM 1302 CD1 PHE A 142 8.508 64.476 112.224 1.00 47.47 C ATOM 1303 CD2 PHE A 142 9.914 65.183 114.014 1.00 42.03 C ATOM 1304 CE1 PHE A 142 8.344 63.235 112.848 1.00 43.75 C ATOM 1305 CE2 PHE A 142 9.753 63.948 114.639 1.00 37.82 C ATOM 1306 CZ PHE A 142 8.970 62.973 114.049 1.00 35.89 C ATOM 1307 H PHE A 142 9.476 69.024 110.910 1.00 0.00 H ATOM 1308 N VAL A 143 8.676 69.035 114.195 1.00 40.89 N ATOM 1309 CA VAL A 143 8.346 69.527 115.539 1.00 48.66 C ATOM 1310 C VAL A 143 6.948 70.119 115.559 1.00 55.81 C ATOM 1311 O VAL A 143 6.153 69.851 116.471 1.00 52.39 O ATOM 1312 CB VAL A 143 9.400 70.548 116.010 1.00 40.57 C ATOM 1313 CG1 VAL A 143 9.021 71.136 117.376 1.00 45.58 C ATOM 1314 CG2 VAL A 143 10.751 69.876 116.112 1.00 38.65 C ATOM 1315 H VAL A 143 9.511 69.409 113.700 1.00 0.00 H ATOM 1316 N GLN A 144 6.606 70.903 114.536 1.00 60.68 N ATOM 1317 CA GLN A 144 5.332 71.609 114.525 1.00 71.47 C ATOM 1318 C GLN A 144 4.159 70.642 114.413 1.00 74.06 C ATOM 1319 O GLN A 144 3.142 70.811 115.094 1.00 77.54 O ATOM 1320 CB GLN A 144 5.320 72.619 113.377 1.00 78.42 C ATOM 1321 CG GLN A 144 4.588 73.916 113.686 1.00 91.09 C ATOM 1322 CD GLN A 144 4.921 74.472 115.062 1.00 93.77 C ATOM 1323 OE1 GLN A 144 4.035 74.930 115.781 1.00 96.73 O ATOM 1324 NE2 GLN A 144 6.203 74.443 115.430 1.00 92.08 N ATOM 1325 HE22 GLN A 144 6.919 74.046 114.789 1.00 0.00 H ATOM 1326 HE21 GLN A 144 6.486 74.818 116.358 1.00 0.00 H ATOM 1327 H GLN A 144 7.259 71.012 113.734 1.00 0.00 H ATOM 1328 N MET A 145 4.357 69.715 113.503 1.00 75.92 N ATOM 1329 CA MET A 145 3.384 68.663 113.194 1.00 80.38 C ATOM 1330 C MET A 145 2.951 68.060 114.527 1.00 82.78 C ATOM 1331 O MET A 145 1.752 67.989 114.787 1.00 83.37 O ATOM 1332 CB MET A 145 4.128 67.627 112.355 1.00 81.49 C ATOM 1333 CG MET A 145 3.253 66.554 111.809 1.00 86.81 C ATOM 1334 SD MET A 145 3.030 65.238 112.989 1.00 90.37 S ATOM 1335 CE MET A 145 4.732 64.708 113.110 1.00 89.02 C ATOM 1336 H MET A 145 5.252 69.728 112.974 1.00 0.00 H ATOM 1337 N MET A 146 3.938 67.827 115.383 1.00 83.73 N ATOM 1338 CA MET A 146 3.759 67.134 116.676 1.00 90.75 C ATOM 1339 C MET A 146 3.382 68.105 117.781 1.00 94.74 C ATOM 1340 O MET A 146 2.819 67.646 118.769 1.00 98.23 O ATOM 1341 CB MET A 146 5.089 66.502 117.072 1.00 93.26 C ATOM 1342 CG MET A 146 5.300 65.115 116.522 1.00 94.50 C ATOM 1343 SD MET A 146 6.802 64.440 117.206 1.00 92.54 S ATOM 1344 CE MET A 146 7.271 65.765 118.314 1.00 89.94 C ATOM 1345 H MET A 146 4.893 68.151 115.129 1.00 0.00 H ATOM 1346 N THR A 147 3.770 69.362 117.595 1.00 96.00 N ATOM 1347 CA THR A 147 3.579 70.528 118.504 1.00 91.42 C ATOM 1348 C THR A 147 4.685 70.529 119.549 1.00 88.57 C ATOM 1349 O THR A 147 5.712 71.102 119.217 1.00 88.03 O ATOM 1350 CB THR A 147 2.147 70.752 118.992 1.00 92.12 C ATOM 1351 OG1 THR A 147 1.315 70.567 117.854 1.00 96.08 O ATOM 1352 CG2 THR A 147 1.950 72.154 119.496 1.00 89.45 C ATOM 1353 HG1 THR A 147 0.369 70.701 118.113 1.00 0.00 H ATOM 1354 H THR A 147 4.269 69.557 116.704 1.00 0.00 H TER 1355 THR A 147 HETATM 1356 CA CA A 1 7.968 64.578 136.623 1.00 34.53 CA HETATM 1357 CA CA A 2 10.484 59.501 146.682 1.00 35.94 CA HETATM 1358 CA CA A 3 15.238 62.125 103.712 1.00 37.58 CA HETATM 1359 CA CA A 4 8.943 71.380 103.913 1.00 59.49 CA HETATM 1360 ZN ZN A 5 14.416 63.038 128.230 1.00 31.26 ZN HETATM 1361 O HOH 6 23.056 51.502 139.344 1.00 61.27 O HETATM 1362 O HOH 7 8.055 60.060 132.999 1.00 38.90 O HETATM 1363 O HOH 8 14.513 75.047 151.754 1.00 52.72 O HETATM 1364 O HOH 9 14.705 78.084 136.451 1.00 49.96 O HETATM 1365 O HOH 10 16.971 57.952 115.683 1.00 33.34 O HETATM 1366 O HOH 11 20.502 62.688 121.162 1.00 52.16 O HETATM 1367 O HOH 12 11.438 60.273 151.254 1.00 40.60 O HETATM 1368 O HOH 13 19.017 63.835 119.206 1.00 49.81 O HETATM 1369 O HOH 14 18.413 63.274 109.612 1.00 43.21 O HETATM 1370 O HOH 15 18.680 70.857 134.909 1.00 43.35 O HETATM 1371 O HOH 16 14.250 54.455 144.272 1.00 53.52 O HETATM 1372 O HOH 17 12.609 66.720 128.958 1.00 33.98 O HETATM 1373 O HOH 18 13.393 66.030 131.364 1.00 31.02 O HETATM 1374 O HOH 19 15.312 69.619 108.798 1.00 37.21 O HETATM 1375 O HOH 20 8.832 62.744 132.334 1.00 37.72 O HETATM 1376 O HOH 21 16.536 62.400 149.859 1.00 42.55 O HETATM 1377 O HOH 22 15.777 54.174 146.655 1.00 47.03 O HETATM 1378 O HOH 23 9.997 78.330 141.988 1.00 54.60 O HETATM 1379 O HOH 24 7.764 61.536 138.906 1.00 44.81 O HETATM 1380 O HOH 25 7.461 62.254 136.596 1.00 42.11 O HETATM 1381 O HOH 26 -6.652 56.271 100.611 1.00 70.09 O HETATM 1382 O HOH 27 8.935 62.816 149.743 1.00 49.45 O HETATM 1383 O HOH 28 17.057 71.555 137.162 1.00 36.95 O HETATM 1384 O HOH 29 11.366 71.766 104.050 1.00 42.38 O HETATM 1385 O HOH 30 17.015 82.170 143.328 1.00 32.37 O HETATM 1386 O HOH 31 14.072 72.571 110.402 1.00 51.54 O HETATM 1387 O HOH 32 15.823 55.030 109.520 1.00 45.65 O HETATM 1388 O HOH 33 16.852 76.616 141.786 1.00 42.35 O HETATM 1389 O HOH 34 17.446 74.567 152.430 1.00 44.00 O HETATM 1390 O HOH 35 4.650 62.670 141.949 1.00 53.75 O HETATM 1391 O HOH 36 11.560 56.761 138.069 1.00 38.77 O HETATM 1392 O HOH 37 7.765 63.876 99.175 1.00 40.17 O HETATM 1393 O HOH 38 18.323 56.902 109.943 1.00 56.65 O HETATM 1394 O HOH 39 17.894 63.814 125.240 1.00 59.65 O HETATM 1395 O HOH 40 21.572 69.853 137.128 1.00 45.99 O HETATM 1396 O HOH 41 13.252 59.252 99.585 1.00 24.26 O HETATM 1397 O HOH 42 19.814 72.958 128.289 1.00 32.67 O HETATM 1398 O HOH 43 17.697 57.172 119.984 1.00 50.16 O HETATM 1399 O HOH 44 14.334 62.170 101.390 1.00 41.14 O HETATM 1400 O HOH 45 23.286 73.016 155.006 1.00 69.96 O HETATM 1401 O HOH 46 18.984 64.743 99.104 1.00 51.81 O HETATM 1402 O HOH 47 8.707 60.580 147.662 1.00 37.67 O HETATM 1403 O HOH 48 14.562 63.025 152.418 1.00 45.85 O HETATM 1404 O HOH 49 10.138 45.147 105.458 1.00 38.16 O HETATM 1405 O HOH 50 13.185 71.871 118.224 1.00 53.77 O HETATM 1406 O HOH 51 7.587 67.564 145.294 1.00 52.23 O HETATM 1407 O HOH 52 10.734 80.099 148.850 1.00 52.81 O HETATM 1408 O HOH 53 12.985 74.235 129.215 1.00 36.53 O HETATM 1409 O HOH 54 15.344 57.282 101.534 1.00 42.18 O HETATM 1410 O HOH 55 16.585 54.225 151.297 1.00 57.80 O HETATM 1411 O HOH 56 12.041 79.107 151.577 1.00 42.91 O HETATM 1412 O HOH 57 17.285 60.856 125.471 1.00 44.68 O HETATM 1413 O HOH 58 18.511 65.305 111.724 1.00 48.93 O HETATM 1414 O HOH 59 8.924 60.632 97.731 1.00 29.87 O HETATM 1415 O HOH 60 7.247 56.902 116.787 1.00 66.57 O HETATM 1416 O HOH 61 12.619 53.227 140.577 1.00 47.05 O HETATM 1417 O HOH 62 14.538 78.147 153.158 1.00 50.39 O HETATM 1418 O HOH 63 11.394 60.254 96.929 1.00 52.89 O HETATM 1419 O HOH 64 20.672 56.863 109.667 1.00 54.47 O HETATM 1420 O HOH 65 10.069 63.346 97.649 1.00 53.82 O HETATM 1421 O HOH 66 5.563 66.274 146.022 1.00 63.09 O HETATM 1422 C02 J A 6 3.713 62.809 109.808 1.00 0.06 C HETATM 1423 C03 J A 6 2.500 62.585 110.493 1.00 -0.01 C HETATM 1424 C04 J A 6 2.482 61.698 111.607 1.00 0.09 C HETATM 1425 C24 J A 6 3.678 61.063 112.006 1.00 0.05 C HETATM 1426 C07 J A 6 3.337 60.241 113.140 1.00 0.02 C HETATM 1427 C06 J A 6 1.935 60.409 113.407 1.00 0.02 C HETATM 1428 C21 J A 6 1.181 59.676 114.574 1.00 -0.06 C HETATM 1429 C10 J A 6 2.114 58.885 115.575 1.00 -0.06 C HETATM 1430 C09 J A 6 3.745 59.351 115.482 1.00 0.10 C HETATM 1431 C08 J A 6 4.257 59.300 114.033 1.00 0.04 C HETATM 1432 H2 J A 6 5.298 59.654 113.995 1.00 0.06 H HETATM 1433 H3 J A 6 4.207 58.267 113.658 1.00 0.06 H HETATM 1434 C20 J A 6 3.996 60.756 116.179 1.00 -0.01 C HETATM 1435 N19 J A 6 3.175 60.905 117.288 1.00 0.21 N HETATM 1436 C12 J A 6 2.657 59.563 117.812 1.00 0.04 C HETATM 1437 C11 J A 6 1.642 58.970 116.898 1.00 -0.05 C HETATM 1438 H5 J A 6 1.392 57.959 117.252 1.00 0.02 H HETATM 1439 H6 J A 6 0.739 59.598 116.914 1.00 0.02 H HETATM 1440 C13 J A 6 3.939 58.612 117.636 1.00 0.19 C HETATM 1441 N14 J A 6 4.381 58.496 116.317 1.00 -0.28 N HETATM 1442 H21 J A 6 5.088 57.853 116.022 1.00 0.19 H HETATM 1443 O15 J A 6 4.474 58.061 118.550 1.00 -0.37 O HETATM 1444 C16 J A 6 2.267 59.775 119.228 1.00 -0.02 C HETATM 1445 C17 J A 6 2.911 61.012 119.640 1.00 0.04 C HETATM 1446 C18 J A 6 3.741 61.538 118.343 1.00 0.04 C HETATM 1447 H9 J A 6 4.805 61.271 118.430 1.00 0.13 H HETATM 1448 H10 J A 6 3.644 62.629 118.237 1.00 0.13 H HETATM 1449 H8 J A 6 2.850 61.489 120.617 1.00 0.16 H HETATM 1450 H7 J A 6 1.629 59.135 119.835 1.00 0.05 H HETATM 1451 H22 J A 6 2.385 61.454 116.989 1.00 0.20 H HETATM 1452 H11 J A 6 3.781 61.560 115.460 1.00 0.08 H HETATM 1453 H12 J A 6 5.047 60.819 116.496 1.00 0.08 H HETATM 1454 H4 J A 6 2.068 57.826 115.281 1.00 0.01 H HETATM 1455 C22 J A 6 0.192 58.651 113.935 1.00 -0.11 C HETATM 1456 H13 J A 6 -0.473 59.173 113.231 1.00 0.01 H HETATM 1457 H14 J A 6 -0.409 58.179 114.726 1.00 0.01 H HETATM 1458 H15 J A 6 0.761 57.878 113.397 1.00 0.01 H HETATM 1459 C23 J A 6 0.342 60.752 115.336 1.00 -0.11 C HETATM 1460 H16 J A 6 1.019 61.487 115.796 1.00 0.01 H HETATM 1461 H17 J A 6 -0.256 60.264 116.120 1.00 0.01 H HETATM 1462 H18 J A 6 -0.328 61.263 114.629 1.00 0.01 H HETATM 1463 N05 J A 6 1.438 61.275 112.478 1.00 -0.28 N HETATM 1464 H20 J A 6 0.455 61.578 112.416 1.00 0.22 H HETATM 1465 C25 J A 6 4.898 61.295 111.312 1.00 -0.03 C HETATM 1466 C26 J A 6 4.907 62.171 110.211 1.00 0.06 C HETATM 1467 CL2 J A 6 6.406 62.509 109.295 1.00 -0.08 CL HETATM 1468 H19 J A 6 5.811 60.802 111.628 1.00 0.07 H HETATM 1469 H1 J A 6 1.591 63.083 110.175 1.00 0.06 H HETATM 1470 CL1 J A 6 3.803 63.907 108.405 1.00 -0.06 CL CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 157 156 1357 CONECT 179 178 1357 CONECT 193 192 1357 CONECT 204 203 1357 CONECT 487 486 1356 CONECT 502 501 1356 CONECT 516 515 1356 CONECT 529 528 1356 CONECT 713 711 1360 CONECT 750 749 1360 CONECT 850 849 1358 CONECT 872 871 1358 CONECT 886 885 1358 CONECT 899 898 1358 CONECT 1191 1190 1359 CONECT 1209 1208 1359 CONECT 1223 1222 1359 CONECT 1234 1233 1359 CONECT 1356 487 502 516 529 CONECT 1357 157 179 193 204 CONECT 1358 850 872 886 899 CONECT 1359 1191 1209 1223 1234 CONECT 1360 713 750 CONECT 1422 1423 1466 1470 CONECT 1423 1422 1424 1469 CONECT 1424 1423 1425 1463 CONECT 1425 1424 1426 1465 CONECT 1426 1425 1427 1431 CONECT 1427 1426 1428 1463 CONECT 1428 1427 1429 1455 1459 CONECT 1429 1428 1430 1437 1454 CONECT 1430 1429 1431 1434 1441 CONECT 1431 1426 1430 1432 1433 CONECT 1432 1431 CONECT 1433 1431 CONECT 1434 1430 1435 1452 1453 CONECT 1435 1434 1436 1446 1451 CONECT 1436 1435 1437 1440 1444 CONECT 1437 1429 1436 1438 1439 CONECT 1438 1437 CONECT 1439 1437 CONECT 1440 1436 1441 1443 CONECT 1441 1430 1440 1442 CONECT 1442 1441 CONECT 1443 1440 CONECT 1444 1436 1445 1450 CONECT 1445 1444 1446 1449 CONECT 1446 1435 1445 1447 1448 CONECT 1447 1446 CONECT 1448 1446 CONECT 1449 1445 CONECT 1450 1444 CONECT 1451 1435 CONECT 1452 1434 CONECT 1453 1434 CONECT 1454 1429 CONECT 1455 1428 1456 1457 1458 CONECT 1456 1455 CONECT 1457 1455 CONECT 1458 1455 CONECT 1459 1428 1460 1461 1462 CONECT 1460 1459 CONECT 1461 1459 CONECT 1462 1459 CONECT 1463 1424 1427 1464 CONECT 1464 1463 CONECT 1465 1425 1466 1468 CONECT 1466 1422 1465 1467 CONECT 1467 1466 CONECT 1468 1465 CONECT 1469 1423 CONECT 1470 1422 MASTER 0 0 0 0 0 0 0 0 1469 1 76 11 END
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Structure:
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Related entries of code: 6eeb
Entries with 90% protein sequence similarity cutoff in PDBbind
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Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
148aa, >1CTR_1|Chain... at 100%
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RCSB PDB
PDBbind
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1lvc
RCSB PDB
PDBbind
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1pk0
RCSB PDB
PDBbind
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1qiw
RCSB PDB
PDBbind
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1s26
RCSB PDB
PDBbind
148aa, >1S26_2|Chains... at 100%
1xa5
RCSB PDB
PDBbind
148aa, >1XA5_1|Chain... at 100%
1xfv
RCSB PDB
PDBbind
149aa, >1XFV_2|Chains... at 99%
1yrt
RCSB PDB
PDBbind
74aa, >1YRT_2|Chain... at 100%
1yru
RCSB PDB
PDBbind
74aa, >1YRU_2|Chain... at 100%
2n27
RCSB PDB
PDBbind
148aa, >2N27_1|Chain... at 100%
2wel
RCSB PDB
PDBbind
150aa, >2WEL_2|Chain... at 99%
3if7
RCSB PDB
PDBbind
148aa, >3IF7_1|Chain... at 100%
4byf
RCSB PDB
PDBbind
149aa, >4BYF_2|Chains... at 100%
4dck
RCSB PDB
PDBbind
149aa, >4DCK_2|Chain... at 100%
4ovn
RCSB PDB
PDBbind
149aa, >4OVN_1|Chains... at 100%
4r8g
RCSB PDB
PDBbind
148aa, >4R8G_2|Chains... at 100%
6plm
RCSB PDB
PDBbind
147aa, >6PLM_2|Chains... at 99%
6o5g
RCSB PDB
PDBbind
152aa, >6O5G_1|Chain... at 100%
6mud
RCSB PDB
PDBbind
149aa, >6MUD_1|Chain... at 100%
6mc9
RCSB PDB
PDBbind
149aa, >6MC9_2|Chain... at 100%
6mba
RCSB PDB
PDBbind
149aa, >6MBA_2|Chain... at 100%
6m7h
RCSB PDB
PDBbind
147aa, >6M7H_1|Chain... at 100%
6k4r
RCSB PDB
PDBbind
149aa, >6K4R_2|Chains... at 100%
6k4k
RCSB PDB
PDBbind
149aa, >6K4K_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6eeb
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Calmodulin-1
Ligand Name
J6P
EC.Number
E.C.-.-.-.-
Resolution
1.96(Å)
Affinity (Kd/Ki/IC50)
Kd=5uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Proc.Natl.Acad.Sci.USA Vol. 116: pp. 15895-15900
Ligand Properties
Formula
C
2
1
H
2
2
Cl
2
N
3
O
Molecular Weight
403.325
Exact Mass
402.114
No. of atoms
49
No. of bonds
54
Polar Surface Area
49.33
LOGP Value
4.19 (
Computed with XLOGP3
)
4.29 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 6
Canonical SMILES
O=C1N[C@@]23C[N@H+]4[C@@]1(C=CC4)C[C@H]3C(c1c(C2)c2cc(Cl)c(cc2[nH]1)Cl)(C)C
InChI String
InChI=1S/C21H21Cl2N3O/c1-19(2)16-9-21-4-3-5-26(21)10-20(16,25-18(21)27)8-12-11-6-13(22)14(23)7-15(11)24-17(12)19/h3-4,6-7,16,24H,5,8-10H2,1-2H3,(H,25,27)/p+1/t16-,20+,21-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P0DP23
Entrez Gene ID
NCBI Entrez Gene ID:
801
805
808
ASD
Information of known allosteric effects of PDB entries
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