Browse entries in the PDBbind-CN Database
HEADER 5HKH_COMPLEX COMPND 5HKH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 GLY ALA MET GLU SER LYS VAL SER PHE LYS ILE THR LEU SEQRES 2 A 86 THR SER ASP PRO ARG LEU PRO TYR LYS VAL LEU SER VAL SEQRES 3 A 86 PRO GLU SER THR PRO PHE THR ALA VAL LEU LYS PHE ALA SEQRES 4 A 86 ALA GLU GLU PHE LYS VAL PRO ALA ALA THR SER ALA ILE SEQRES 5 A 86 ILE THR ASN ASP GLY ILE GLY ILE ASN PRO ALA GLN THR SEQRES 6 A 86 ALA GLY ASN VAL PHE LEU LYS HIS GLY SER GLU LEU ARG SEQRES 7 A 86 ILE ILE PRO ARG ASP ARG VAL GLY SEQRES 1 C 79 SER LYS VAL SER PHE LYS ILE THR LEU THR SER ASP PRO SEQRES 2 C 79 ARG LEU PRO TYR LYS VAL LEU SER VAL PRO GLU SER THR SEQRES 3 C 79 PRO PHE THR ALA VAL LEU LYS PHE ALA ALA GLU GLU PHE SEQRES 4 C 79 LYS VAL PRO ALA ALA THR SER ALA ILE ILE THR ASN ASP SEQRES 5 C 79 GLY ILE GLY ILE ASN PRO ALA GLN THR ALA GLY ASN VAL SEQRES 6 C 79 PHE LEU LYS HIS GLY SER GLU LEU ARG ILE ILE PRO ARG SEQRES 7 C 79 ASP HET ASP A 191 144 ATOM 1 N GLY A -2 15.941 -2.127 10.488 1.00 57.27 N ATOM 2 CA GLY A -2 16.269 -3.217 9.585 1.00 59.90 C ATOM 3 C GLY A -2 17.382 -4.106 10.112 1.00 54.61 C ATOM 4 O GLY A -2 18.153 -3.692 10.965 1.00 59.98 O ATOM 5 HN3 GLY A -2 16.782 -1.532 10.631 1.00 0.00 H ATOM 6 HN2 GLY A -2 15.631 -2.516 11.401 1.00 0.00 H ATOM 7 HN1 GLY A -2 15.176 -1.555 10.076 1.00 0.00 H ATOM 8 N ALA A -1 17.456 -5.335 9.611 1.00 55.12 N ATOM 9 CA ALA A -1 18.498 -6.284 10.013 1.00 53.58 C ATOM 10 C ALA A -1 19.760 -6.070 9.182 1.00 49.97 C ATOM 11 O ALA A -1 20.872 -6.431 9.581 1.00 43.42 O ATOM 12 CB ALA A -1 18.003 -7.714 9.839 1.00 50.52 C ATOM 13 H ALA A -1 16.749 -5.634 8.909 1.00 0.00 H ATOM 14 N MET A 0 19.561 -5.496 8.007 1.00 48.66 N ATOM 15 CA MET A 0 20.644 -5.252 7.088 1.00 48.05 C ATOM 16 C MET A 0 21.507 -4.115 7.604 1.00 46.56 C ATOM 17 O MET A 0 20.992 -3.119 8.092 1.00 47.09 O ATOM 18 CB MET A 0 20.081 -4.918 5.714 1.00 45.07 C ATOM 19 CG MET A 0 21.104 -4.377 4.762 1.00 47.64 C ATOM 20 SD MET A 0 20.364 -4.223 3.138 1.00 57.46 S ATOM 21 CE MET A 0 19.854 -5.916 2.904 1.00 46.75 C ATOM 22 H MET A 0 18.597 -5.213 7.739 1.00 0.00 H ATOM 23 N GLU A 1 22.820 -4.290 7.498 1.00 47.55 N ATOM 24 CA GLU A 1 23.805 -3.317 7.944 1.00 41.74 C ATOM 25 C GLU A 1 23.607 -1.908 7.357 1.00 42.52 C ATOM 26 O GLU A 1 23.200 -1.748 6.204 1.00 43.09 O ATOM 27 CB GLU A 1 25.196 -3.826 7.586 1.00 38.48 C ATOM 28 CG GLU A 1 26.318 -3.069 8.263 1.00 43.70 C ATOM 29 CD GLU A 1 27.682 -3.595 7.889 1.00 42.10 C ATOM 30 OE1 GLU A 1 27.842 -4.063 6.739 1.00 44.41 O ATOM 31 OE2 GLU A 1 28.590 -3.549 8.746 1.00 40.63 O ATOM 32 H GLU A 1 23.163 -5.174 7.071 1.00 0.00 H ATOM 33 N SER A 2 23.895 -0.899 8.172 1.00 38.39 N ATOM 34 CA SER A 2 23.910 0.489 7.733 1.00 41.32 C ATOM 35 C SER A 2 24.808 0.628 6.521 1.00 41.48 C ATOM 36 O SER A 2 25.776 -0.124 6.369 1.00 40.57 O ATOM 37 CB SER A 2 24.476 1.411 8.832 1.00 41.04 C ATOM 38 OG SER A 2 23.819 1.258 10.068 1.00 42.58 O ATOM 39 HG SER A 2 24.222 1.871 10.733 1.00 0.00 H ATOM 40 H SER A 2 24.119 -1.110 9.165 1.00 0.00 H ATOM 41 N LYS A 3 24.507 1.632 5.702 1.00 40.17 N ATOM 42 CA LYS A 3 25.273 1.941 4.509 1.00 41.79 C ATOM 43 C LYS A 3 25.984 3.256 4.682 1.00 41.10 C ATOM 44 O LYS A 3 25.511 4.133 5.414 1.00 42.09 O ATOM 45 CB LYS A 3 24.357 2.046 3.279 1.00 38.50 C ATOM 46 CG LYS A 3 23.764 0.729 2.859 1.00 38.83 C ATOM 47 CD LYS A 3 22.617 0.924 1.880 1.00 53.98 C ATOM 48 CE LYS A 3 21.972 -0.418 1.535 1.00 56.03 C ATOM 49 NZ LYS A 3 23.013 -1.385 1.109 1.00 44.70 N ATOM 50 HZ1 LYS A 3 23.506 -1.015 0.271 1.00 0.00 H ATOM 51 HZ2 LYS A 3 23.695 -1.521 1.882 1.00 0.00 H ATOM 52 HZ3 LYS A 3 22.565 -2.294 0.876 1.00 0.00 H ATOM 53 H LYS A 3 23.683 2.224 5.928 1.00 0.00 H ATOM 54 N VAL A 4 27.120 3.387 4.004 1.00 33.34 N ATOM 55 CA VAL A 4 27.764 4.673 3.866 1.00 37.30 C ATOM 56 C VAL A 4 27.771 5.002 2.381 1.00 41.85 C ATOM 57 O VAL A 4 27.795 4.098 1.536 1.00 38.65 O ATOM 58 CB VAL A 4 29.198 4.671 4.435 1.00 38.79 C ATOM 59 CG1 VAL A 4 29.167 4.709 5.954 1.00 33.84 C ATOM 60 CG2 VAL A 4 29.973 3.450 3.933 1.00 36.24 C ATOM 61 H VAL A 4 27.553 2.549 3.565 1.00 0.00 H ATOM 62 N SER A 5 27.747 6.290 2.060 1.00 37.90 N ATOM 63 CA SER A 5 27.671 6.700 0.671 1.00 40.38 C ATOM 64 C SER A 5 28.901 7.514 0.274 1.00 39.34 C ATOM 65 O SER A 5 29.434 8.263 1.072 1.00 39.22 O ATOM 66 CB SER A 5 26.399 7.512 0.452 1.00 46.13 C ATOM 67 OG SER A 5 26.334 8.593 1.382 1.00 47.32 O ATOM 68 HG SER A 5 27.120 9.182 1.257 1.00 0.00 H ATOM 69 H SER A 5 27.783 7.010 2.810 1.00 0.00 H ATOM 70 N PHE A 6 29.352 7.362 -0.962 1.00 37.15 N ATOM 71 CA PHE A 6 30.500 8.113 -1.445 1.00 40.07 C ATOM 72 C PHE A 6 30.160 8.803 -2.771 1.00 41.62 C ATOM 73 O PHE A 6 29.463 8.232 -3.619 1.00 37.50 O ATOM 74 CB PHE A 6 31.687 7.175 -1.670 1.00 37.35 C ATOM 75 CG PHE A 6 32.155 6.469 -0.438 1.00 34.46 C ATOM 76 CD1 PHE A 6 33.028 7.097 0.454 1.00 33.96 C ATOM 77 CD2 PHE A 6 31.759 5.169 -0.183 1.00 34.19 C ATOM 78 CE1 PHE A 6 33.491 6.447 1.588 1.00 32.13 C ATOM 79 CE2 PHE A 6 32.212 4.498 0.962 1.00 38.29 C ATOM 80 CZ PHE A 6 33.076 5.143 1.856 1.00 34.76 C ATOM 81 H PHE A 6 28.876 6.692 -1.600 1.00 0.00 H ATOM 82 N LYS A 7 30.643 10.029 -2.941 1.00 32.66 N ATOM 83 CA LYS A 7 30.559 10.695 -4.218 1.00 35.36 C ATOM 84 C LYS A 7 31.909 10.518 -4.904 1.00 41.07 C ATOM 85 O LYS A 7 32.918 11.087 -4.485 1.00 38.14 O ATOM 86 CB LYS A 7 30.217 12.168 -4.032 1.00 38.88 C ATOM 87 CG LYS A 7 30.223 12.996 -5.303 1.00 40.45 C ATOM 88 CD LYS A 7 29.708 14.395 -5.008 1.00 44.42 C ATOM 89 CE LYS A 7 30.022 15.366 -6.133 1.00 52.28 C ATOM 90 NZ LYS A 7 29.589 16.766 -5.795 1.00 60.06 N ATOM 91 HZ1 LYS A 7 28.563 16.779 -5.627 1.00 0.00 H ATOM 92 HZ2 LYS A 7 30.086 17.084 -4.939 1.00 0.00 H ATOM 93 HZ3 LYS A 7 29.820 17.400 -6.587 1.00 0.00 H ATOM 94 H LYS A 7 31.090 10.517 -2.139 1.00 0.00 H ATOM 95 N ILE A 8 31.932 9.704 -5.949 1.00 38.17 N ATOM 96 CA ILE A 8 33.178 9.422 -6.632 1.00 41.47 C ATOM 97 C ILE A 8 33.258 10.172 -7.975 1.00 42.97 C ATOM 98 O ILE A 8 32.443 9.962 -8.875 1.00 47.35 O ATOM 99 CB ILE A 8 33.379 7.896 -6.783 1.00 42.11 C ATOM 100 CG1 ILE A 8 33.221 7.238 -5.417 1.00 42.41 C ATOM 101 CG2 ILE A 8 34.761 7.570 -7.359 1.00 40.60 C ATOM 102 CD1 ILE A 8 33.118 5.721 -5.452 1.00 40.47 C ATOM 103 H ILE A 8 31.050 9.265 -6.281 1.00 0.00 H ATOM 104 N THR A 9 34.235 11.061 -8.096 1.00 38.47 N ATOM 105 CA THR A 9 34.365 11.865 -9.296 1.00 42.00 C ATOM 106 C THR A 9 35.517 11.401 -10.177 1.00 45.14 C ATOM 107 O THR A 9 36.619 11.098 -9.699 1.00 40.59 O ATOM 108 CB THR A 9 34.541 13.362 -8.968 1.00 38.55 C ATOM 109 OG1 THR A 9 33.446 13.799 -8.158 1.00 40.01 O ATOM 110 CG2 THR A 9 34.574 14.197 -10.247 1.00 43.53 C ATOM 111 HG1 THR A 9 33.428 13.275 -7.318 1.00 0.00 H ATOM 112 H THR A 9 34.917 11.183 -7.320 1.00 0.00 H ATOM 113 N LEU A 10 35.241 11.334 -11.473 1.00 44.79 N ATOM 114 CA LEU A 10 36.281 11.133 -12.458 1.00 43.24 C ATOM 115 C LEU A 10 36.854 12.497 -12.823 1.00 48.27 C ATOM 116 O LEU A 10 36.470 13.098 -13.830 1.00 47.47 O ATOM 117 CB LEU A 10 35.715 10.449 -13.698 1.00 44.49 C ATOM 118 CG LEU A 10 36.748 10.131 -14.777 1.00 48.31 C ATOM 119 CD1 LEU A 10 37.531 8.885 -14.417 1.00 41.97 C ATOM 120 CD2 LEU A 10 36.063 9.985 -16.113 1.00 48.18 C ATOM 121 H LEU A 10 34.254 11.428 -11.788 1.00 0.00 H ATOM 122 N THR A 11 37.770 12.988 -11.993 1.00 48.26 N ATOM 123 CA THR A 11 38.367 14.305 -12.210 1.00 53.47 C ATOM 124 C THR A 11 39.046 14.453 -13.578 1.00 47.79 C ATOM 125 O THR A 11 39.092 15.547 -14.120 1.00 52.92 O ATOM 126 CB THR A 11 39.352 14.666 -11.083 1.00 49.76 C ATOM 127 OG1 THR A 11 40.287 13.599 -10.922 1.00 52.68 O ATOM 128 CG2 THR A 11 38.601 14.865 -9.758 1.00 43.94 C ATOM 129 HG1 THR A 11 40.923 13.826 -10.198 1.00 0.00 H ATOM 130 H THR A 11 38.068 12.423 -11.172 1.00 0.00 H ATOM 131 N SER A 12 39.547 13.351 -14.133 1.00 48.25 N ATOM 132 CA SER A 12 40.147 13.349 -15.476 1.00 49.45 C ATOM 133 C SER A 12 39.219 13.853 -16.580 1.00 52.46 C ATOM 134 O SER A 12 39.684 14.305 -17.618 1.00 53.08 O ATOM 135 CB SER A 12 40.712 11.969 -15.849 1.00 43.07 C ATOM 136 OG SER A 12 39.838 10.924 -15.455 1.00 47.34 O ATOM 137 HG SER A 12 40.232 10.052 -15.710 1.00 0.00 H ATOM 138 H SER A 12 39.513 12.460 -13.598 1.00 0.00 H ATOM 139 N ASP A 13 37.915 13.760 -16.356 1.00 52.39 N ATOM 140 CA ASP A 13 36.932 14.310 -17.276 1.00 50.42 C ATOM 141 C ASP A 13 36.560 15.718 -16.818 1.00 52.94 C ATOM 142 O ASP A 13 36.019 15.907 -15.724 1.00 52.66 O ATOM 143 CB ASP A 13 35.705 13.401 -17.306 1.00 52.66 C ATOM 144 CG ASP A 13 34.677 13.815 -18.338 1.00 55.39 C ATOM 145 OD1 ASP A 13 34.447 15.029 -18.559 1.00 57.67 O ATOM 146 OD2 ASP A 13 34.077 12.895 -18.925 1.00 59.69 O ATOM 147 H ASP A 13 37.585 13.279 -15.495 1.00 0.00 H ATOM 148 N PRO A 14 36.818 16.711 -17.678 1.00 60.99 N ATOM 149 CA PRO A 14 36.640 18.145 -17.386 1.00 57.82 C ATOM 150 C PRO A 14 35.242 18.451 -16.886 1.00 55.47 C ATOM 151 O PRO A 14 35.061 19.399 -16.119 1.00 53.68 O ATOM 152 CB PRO A 14 36.853 18.809 -18.749 1.00 61.96 C ATOM 153 CG PRO A 14 37.677 17.797 -19.546 1.00 61.04 C ATOM 154 CD PRO A 14 37.178 16.464 -19.088 1.00 55.10 C ATOM 155 N ARG A 15 34.274 17.642 -17.317 1.00 58.58 N ATOM 156 CA ARG A 15 32.885 17.747 -16.862 1.00 57.98 C ATOM 157 C ARG A 15 32.692 17.371 -15.393 1.00 55.80 C ATOM 158 O ARG A 15 31.621 17.593 -14.830 1.00 55.52 O ATOM 159 CB ARG A 15 31.975 16.870 -17.727 1.00 59.22 C ATOM 160 CG ARG A 15 31.129 17.650 -18.731 1.00 71.19 C ATOM 161 CD ARG A 15 30.569 16.753 -19.833 1.00 75.69 C ATOM 162 NE ARG A 15 31.626 16.201 -20.684 1.00 69.98 N ATOM 163 CZ ARG A 15 32.071 14.949 -20.605 1.00 74.10 C ATOM 164 NH1 ARG A 15 31.545 14.107 -19.714 1.00 72.18 N ATOM 165 NH2 ARG A 15 33.040 14.537 -21.418 1.00 71.03 N ATOM 166 HE ARG A 15 32.056 16.827 -21.395 1.00 0.00 H ATOM 167 HH12 ARG A 15 31.894 13.129 -19.654 1.00 0.00 H ATOM 168 HH11 ARG A 15 30.786 14.428 -19.080 1.00 0.00 H ATOM 169 HH22 ARG A 15 33.389 13.559 -21.358 1.00 0.00 H ATOM 170 HH21 ARG A 15 33.449 15.193 -22.114 1.00 0.00 H ATOM 171 H ARG A 15 34.516 16.903 -18.008 1.00 0.00 H ATOM 172 N LEU A 16 33.730 16.807 -14.782 1.00 54.30 N ATOM 173 CA LEU A 16 33.635 16.262 -13.432 1.00 48.05 C ATOM 174 C LEU A 16 32.362 15.459 -13.179 1.00 45.77 C ATOM 175 O LEU A 16 31.602 15.772 -12.262 1.00 47.15 O ATOM 176 CB LEU A 16 33.760 17.378 -12.408 1.00 52.65 C ATOM 177 CG LEU A 16 35.041 18.176 -12.618 1.00 54.48 C ATOM 178 CD1 LEU A 16 35.211 19.202 -11.512 1.00 48.18 C ATOM 179 CD2 LEU A 16 36.248 17.235 -12.706 1.00 53.13 C ATOM 180 H LEU A 16 34.640 16.753 -15.283 1.00 0.00 H ATOM 181 N PRO A 17 32.126 14.420 -13.997 1.00 48.34 N ATOM 182 CA PRO A 17 30.981 13.533 -13.773 1.00 42.89 C ATOM 183 C PRO A 17 31.219 12.708 -12.520 1.00 44.24 C ATOM 184 O PRO A 17 32.352 12.633 -12.037 1.00 42.77 O ATOM 185 CB PRO A 17 31.039 12.607 -14.982 1.00 40.04 C ATOM 186 CG PRO A 17 32.494 12.504 -15.271 1.00 43.98 C ATOM 187 CD PRO A 17 33.023 13.893 -15.048 1.00 44.82 C ATOM 188 N TYR A 18 30.179 12.070 -12.006 1.00 43.12 N ATOM 189 CA TYR A 18 30.319 11.384 -10.732 1.00 47.30 C ATOM 190 C TYR A 18 29.282 10.292 -10.579 1.00 47.36 C ATOM 191 O TYR A 18 28.271 10.270 -11.278 1.00 49.09 O ATOM 192 CB TYR A 18 30.234 12.377 -9.548 1.00 42.21 C ATOM 193 CG TYR A 18 28.880 13.045 -9.415 1.00 45.95 C ATOM 194 CD1 TYR A 18 27.820 12.393 -8.799 1.00 42.88 C ATOM 195 CD2 TYR A 18 28.660 14.327 -9.912 1.00 46.26 C ATOM 196 CE1 TYR A 18 26.583 12.982 -8.691 1.00 42.61 C ATOM 197 CE2 TYR A 18 27.415 14.937 -9.799 1.00 41.57 C ATOM 198 CZ TYR A 18 26.381 14.255 -9.192 1.00 45.98 C ATOM 199 OH TYR A 18 25.136 14.837 -9.069 1.00 40.81 O ATOM 200 HH TYR A 18 24.523 14.208 -8.612 1.00 0.00 H ATOM 201 H TYR A 18 29.269 12.060 -12.510 1.00 0.00 H ATOM 202 N LYS A 19 29.541 9.382 -9.654 1.00 43.11 N ATOM 203 CA LYS A 19 28.561 8.376 -9.299 1.00 47.56 C ATOM 204 C LYS A 19 28.487 8.293 -7.769 1.00 50.05 C ATOM 205 O LYS A 19 29.517 8.323 -7.076 1.00 45.19 O ATOM 206 CB LYS A 19 28.939 7.030 -9.928 1.00 49.45 C ATOM 207 CG LYS A 19 29.195 7.103 -11.451 1.00 47.47 C ATOM 208 CD LYS A 19 27.907 7.018 -12.262 1.00 52.26 C ATOM 209 CE LYS A 19 28.152 7.174 -13.765 1.00 53.93 C ATOM 210 NZ LYS A 19 28.165 8.618 -14.204 1.00 56.25 N ATOM 211 HZ1 LYS A 19 27.248 9.055 -13.982 1.00 0.00 H ATOM 212 HZ2 LYS A 19 28.922 9.125 -13.702 1.00 0.00 H ATOM 213 HZ3 LYS A 19 28.335 8.666 -15.229 1.00 0.00 H ATOM 214 H LYS A 19 30.463 9.389 -9.174 1.00 0.00 H ATOM 215 N VAL A 20 27.273 8.240 -7.235 1.00 45.44 N ATOM 216 CA VAL A 20 27.122 8.056 -5.811 1.00 39.88 C ATOM 217 C VAL A 20 26.863 6.593 -5.528 1.00 42.47 C ATOM 218 O VAL A 20 25.969 5.982 -6.097 1.00 43.52 O ATOM 219 CB VAL A 20 26.006 8.919 -5.223 1.00 41.06 C ATOM 220 CG1 VAL A 20 26.031 8.822 -3.712 1.00 41.84 C ATOM 221 CG2 VAL A 20 26.190 10.361 -5.639 1.00 34.94 C ATOM 222 H VAL A 20 26.433 8.331 -7.841 1.00 0.00 H ATOM 223 N LEU A 21 27.670 6.029 -4.647 1.00 43.06 N ATOM 224 CA LEU A 21 27.559 4.625 -4.306 1.00 43.03 C ATOM 225 C LEU A 21 27.155 4.502 -2.857 1.00 40.64 C ATOM 226 O LEU A 21 27.748 5.122 -1.997 1.00 45.69 O ATOM 227 CB LEU A 21 28.904 3.923 -4.504 1.00 42.98 C ATOM 228 CG LEU A 21 29.354 3.489 -5.904 1.00 45.31 C ATOM 229 CD1 LEU A 21 29.217 4.599 -6.936 1.00 45.00 C ATOM 230 CD2 LEU A 21 30.782 2.959 -5.862 1.00 36.91 C ATOM 231 H LEU A 21 28.403 6.607 -4.187 1.00 0.00 H ATOM 232 N SER A 22 26.143 3.707 -2.574 1.00 41.39 N ATOM 233 CA SER A 22 25.816 3.426 -1.199 1.00 35.82 C ATOM 234 C SER A 22 26.302 2.015 -0.943 1.00 39.20 C ATOM 235 O SER A 22 26.013 1.101 -1.711 1.00 37.71 O ATOM 236 CB SER A 22 24.314 3.540 -0.983 1.00 46.87 C ATOM 237 OG SER A 22 23.982 3.416 0.384 1.00 51.18 O ATOM 238 HG SER A 22 23.001 3.494 0.493 1.00 0.00 H ATOM 239 H SER A 22 25.582 3.284 -3.341 1.00 0.00 H ATOM 240 N VAL A 23 27.062 1.837 0.127 1.00 38.02 N ATOM 241 CA VAL A 23 27.737 0.572 0.354 1.00 38.37 C ATOM 242 C VAL A 23 27.679 0.134 1.830 1.00 40.47 C ATOM 243 O VAL A 23 27.799 0.960 2.728 1.00 43.39 O ATOM 244 CB VAL A 23 29.206 0.608 -0.215 1.00 40.17 C ATOM 245 CG1 VAL A 23 29.613 2.001 -0.656 1.00 37.56 C ATOM 246 CG2 VAL A 23 30.193 0.053 0.754 1.00 31.45 C ATOM 247 H VAL A 23 27.176 2.611 0.812 1.00 0.00 H ATOM 248 N PRO A 24 27.440 -1.165 2.083 1.00 39.64 N ATOM 249 CA PRO A 24 27.454 -1.640 3.475 1.00 40.52 C ATOM 250 C PRO A 24 28.790 -1.334 4.163 1.00 39.10 C ATOM 251 O PRO A 24 29.855 -1.575 3.579 1.00 36.60 O ATOM 252 CB PRO A 24 27.269 -3.167 3.335 1.00 38.33 C ATOM 253 CG PRO A 24 26.624 -3.369 1.999 1.00 36.18 C ATOM 254 CD PRO A 24 27.050 -2.218 1.123 1.00 35.28 C ATOM 255 N GLU A 25 28.726 -0.832 5.392 1.00 38.52 N ATOM 256 CA GLU A 25 29.916 -0.405 6.116 1.00 39.10 C ATOM 257 C GLU A 25 31.046 -1.443 6.145 1.00 38.94 C ATOM 258 O GLU A 25 32.226 -1.079 6.072 1.00 38.41 O ATOM 259 CB GLU A 25 29.556 0.005 7.543 1.00 41.07 C ATOM 260 CG GLU A 25 28.763 1.303 7.662 1.00 43.40 C ATOM 261 CD GLU A 25 28.707 1.803 9.099 1.00 46.61 C ATOM 262 OE1 GLU A 25 27.869 2.676 9.406 1.00 46.88 O ATOM 263 OE2 GLU A 25 29.496 1.304 9.929 1.00 46.84 O ATOM 264 H GLU A 25 27.797 -0.741 5.851 1.00 0.00 H ATOM 265 N SER A 26 30.685 -2.723 6.218 1.00 33.11 N ATOM 266 CA SER A 26 31.665 -3.795 6.352 1.00 35.28 C ATOM 267 C SER A 26 32.271 -4.252 5.032 1.00 38.06 C ATOM 268 O SER A 26 33.012 -5.231 4.986 1.00 38.51 O ATOM 269 CB SER A 26 31.027 -5.003 7.032 1.00 41.39 C ATOM 270 OG SER A 26 30.888 -4.796 8.424 1.00 39.59 O ATOM 271 HG SER A 26 30.314 -4.005 8.583 1.00 0.00 H ATOM 272 H SER A 26 29.674 -2.965 6.178 1.00 0.00 H ATOM 273 N THR A 27 31.967 -3.543 3.956 1.00 36.08 N ATOM 274 CA THR A 27 32.451 -3.933 2.656 1.00 37.36 C ATOM 275 C THR A 27 33.896 -3.497 2.404 1.00 40.41 C ATOM 276 O THR A 27 34.242 -2.320 2.558 1.00 38.51 O ATOM 277 CB THR A 27 31.514 -3.402 1.562 1.00 41.38 C ATOM 278 OG1 THR A 27 30.312 -4.183 1.577 1.00 44.35 O ATOM 279 CG2 THR A 27 32.176 -3.480 0.183 1.00 34.68 C ATOM 280 HG1 THR A 27 29.696 -3.852 0.876 1.00 0.00 H ATOM 281 H THR A 27 31.372 -2.695 4.050 1.00 0.00 H ATOM 282 N PRO A 28 34.745 -4.461 2.018 1.00 40.16 N ATOM 283 CA PRO A 28 36.153 -4.219 1.686 1.00 39.19 C ATOM 284 C PRO A 28 36.190 -3.169 0.609 1.00 39.16 C ATOM 285 O PRO A 28 35.382 -3.232 -0.318 1.00 37.47 O ATOM 286 CB PRO A 28 36.610 -5.552 1.089 1.00 36.69 C ATOM 287 CG PRO A 28 35.679 -6.562 1.650 1.00 43.10 C ATOM 288 CD PRO A 28 34.355 -5.865 1.808 1.00 40.94 C ATOM 289 N PHE A 29 37.097 -2.212 0.711 1.00 36.70 N ATOM 290 CA PHE A 29 37.046 -1.122 -0.237 1.00 39.05 C ATOM 291 C PHE A 29 37.360 -1.537 -1.685 1.00 40.86 C ATOM 292 O PHE A 29 37.027 -0.810 -2.620 1.00 37.99 O ATOM 293 CB PHE A 29 37.921 0.040 0.214 1.00 38.80 C ATOM 294 CG PHE A 29 37.462 1.348 -0.324 1.00 37.90 C ATOM 295 CD1 PHE A 29 36.342 1.963 0.204 1.00 35.89 C ATOM 296 CD2 PHE A 29 38.111 1.939 -1.388 1.00 36.60 C ATOM 297 CE1 PHE A 29 35.895 3.164 -0.302 1.00 37.36 C ATOM 298 CE2 PHE A 29 37.683 3.144 -1.894 1.00 34.74 C ATOM 299 CZ PHE A 29 36.569 3.760 -1.352 1.00 38.09 C ATOM 300 H PHE A 29 37.826 -2.243 1.452 1.00 0.00 H ATOM 301 N THR A 30 38.001 -2.699 -1.856 1.00 43.47 N ATOM 302 CA THR A 30 38.267 -3.271 -3.183 1.00 39.69 C ATOM 303 C THR A 30 36.987 -3.461 -3.989 1.00 36.93 C ATOM 304 O THR A 30 36.981 -3.304 -5.207 1.00 43.39 O ATOM 305 CB THR A 30 38.912 -4.661 -3.091 1.00 38.26 C ATOM 306 OG1 THR A 30 37.947 -5.599 -2.608 1.00 41.21 O ATOM 307 CG2 THR A 30 40.083 -4.655 -2.165 1.00 34.44 C ATOM 308 HG1 THR A 30 38.362 -6.496 -2.548 1.00 0.00 H ATOM 309 H THR A 30 38.324 -3.219 -1.015 1.00 0.00 H ATOM 310 N ALA A 31 35.902 -3.807 -3.303 1.00 41.22 N ATOM 311 CA ALA A 31 34.611 -3.985 -3.957 1.00 37.67 C ATOM 312 C ALA A 31 34.079 -2.656 -4.461 1.00 37.78 C ATOM 313 O ALA A 31 33.508 -2.573 -5.543 1.00 46.27 O ATOM 314 CB ALA A 31 33.634 -4.614 -3.014 1.00 33.31 C ATOM 315 H ALA A 31 35.976 -3.954 -2.276 1.00 0.00 H ATOM 316 N VAL A 32 34.281 -1.611 -3.673 1.00 40.48 N ATOM 317 CA VAL A 32 33.824 -0.278 -4.040 1.00 42.46 C ATOM 318 C VAL A 32 34.584 0.219 -5.249 1.00 37.18 C ATOM 319 O VAL A 32 33.998 0.770 -6.162 1.00 36.93 O ATOM 320 CB VAL A 32 34.015 0.723 -2.884 1.00 40.91 C ATOM 321 CG1 VAL A 32 33.427 2.081 -3.257 1.00 32.10 C ATOM 322 CG2 VAL A 32 33.381 0.172 -1.607 1.00 36.93 C ATOM 323 H VAL A 32 34.778 -1.746 -2.770 1.00 0.00 H ATOM 324 N LEU A 33 35.893 0.009 -5.248 1.00 37.97 N ATOM 325 CA LEU A 33 36.725 0.450 -6.351 1.00 39.63 C ATOM 326 C LEU A 33 36.317 -0.268 -7.654 1.00 44.27 C ATOM 327 O LEU A 33 36.149 0.381 -8.693 1.00 39.33 O ATOM 328 CB LEU A 33 38.205 0.264 -5.993 1.00 37.43 C ATOM 329 CG LEU A 33 39.325 0.412 -7.037 1.00 50.32 C ATOM 330 CD1 LEU A 33 39.604 -0.903 -7.763 1.00 53.21 C ATOM 331 CD2 LEU A 33 39.028 1.505 -8.055 1.00 48.45 C ATOM 332 H LEU A 33 36.331 -0.481 -4.442 1.00 0.00 H ATOM 333 N LYS A 34 36.137 -1.590 -7.586 1.00 42.96 N ATOM 334 CA LYS A 34 35.723 -2.362 -8.754 1.00 43.80 C ATOM 335 C LYS A 34 34.377 -1.861 -9.260 1.00 40.97 C ATOM 336 O LYS A 34 34.208 -1.559 -10.439 1.00 42.72 O ATOM 337 CB LYS A 34 35.651 -3.863 -8.432 1.00 41.72 C ATOM 338 H LYS A 34 36.295 -2.079 -6.682 1.00 0.00 H ATOM 339 N PHE A 35 33.419 -1.763 -8.358 1.00 35.50 N ATOM 340 CA PHE A 35 32.120 -1.240 -8.724 1.00 38.87 C ATOM 341 C PHE A 35 32.207 0.141 -9.389 1.00 42.03 C ATOM 342 O PHE A 35 31.544 0.399 -10.398 1.00 48.33 O ATOM 343 CB PHE A 35 31.226 -1.173 -7.496 1.00 37.71 C ATOM 344 CG PHE A 35 29.798 -0.916 -7.818 1.00 38.77 C ATOM 345 CD1 PHE A 35 29.358 0.370 -8.118 1.00 38.48 C ATOM 346 CD2 PHE A 35 28.883 -1.961 -7.845 1.00 40.73 C ATOM 347 CE1 PHE A 35 28.022 0.614 -8.443 1.00 43.68 C ATOM 348 CE2 PHE A 35 27.536 -1.723 -8.158 1.00 39.51 C ATOM 349 CZ PHE A 35 27.107 -0.432 -8.454 1.00 37.82 C ATOM 350 H PHE A 35 33.598 -2.063 -7.379 1.00 0.00 H ATOM 351 N ALA A 36 33.020 1.033 -8.832 1.00 39.85 N ATOM 352 CA ALA A 36 33.163 2.376 -9.400 1.00 44.23 C ATOM 353 C ALA A 36 33.813 2.361 -10.793 1.00 39.64 C ATOM 354 O ALA A 36 33.310 2.980 -11.718 1.00 42.25 O ATOM 355 CB ALA A 36 33.942 3.304 -8.438 1.00 38.11 C ATOM 356 H ALA A 36 33.561 0.774 -7.982 1.00 0.00 H ATOM 357 N ALA A 37 34.941 1.669 -10.918 1.00 39.39 N ATOM 358 CA ALA A 37 35.603 1.474 -12.205 1.00 45.37 C ATOM 359 C ALA A 37 34.619 1.015 -13.278 1.00 46.30 C ATOM 360 O ALA A 37 34.573 1.579 -14.364 1.00 50.65 O ATOM 361 CB ALA A 37 36.744 0.477 -12.066 1.00 42.82 C ATOM 362 H ALA A 37 35.368 1.251 -10.067 1.00 0.00 H ATOM 363 N GLU A 38 33.801 0.020 -12.960 1.00 42.56 N ATOM 364 CA GLU A 38 32.829 -0.454 -13.932 1.00 44.85 C ATOM 365 C GLU A 38 31.815 0.596 -14.291 1.00 45.11 C ATOM 366 O GLU A 38 31.453 0.719 -15.449 1.00 53.11 O ATOM 367 CB GLU A 38 32.142 -1.712 -13.441 1.00 40.12 C ATOM 368 CG GLU A 38 33.117 -2.843 -13.317 1.00 44.37 C ATOM 369 CD GLU A 38 32.567 -3.981 -12.528 1.00 51.10 C ATOM 370 OE1 GLU A 38 31.506 -3.788 -11.883 1.00 58.87 O ATOM 371 OE2 GLU A 38 33.202 -5.060 -12.545 1.00 57.96 O ATOM 372 H GLU A 38 33.855 -0.419 -12.019 1.00 0.00 H ATOM 373 N GLU A 39 31.348 1.359 -13.312 1.00 45.07 N ATOM 374 CA GLU A 39 30.361 2.382 -13.614 1.00 47.00 C ATOM 375 C GLU A 39 30.987 3.398 -14.544 1.00 51.22 C ATOM 376 O GLU A 39 30.295 4.066 -15.311 1.00 59.42 O ATOM 377 CB GLU A 39 29.864 3.082 -12.349 1.00 47.89 C ATOM 378 CG GLU A 39 28.880 2.272 -11.547 1.00 51.13 C ATOM 379 CD GLU A 39 27.596 2.025 -12.310 1.00 53.85 C ATOM 380 OE1 GLU A 39 27.145 2.943 -13.031 1.00 53.86 O ATOM 381 OE2 GLU A 39 27.049 0.906 -12.199 1.00 57.75 O ATOM 382 H GLU A 39 31.685 1.226 -12.337 1.00 0.00 H ATOM 383 N PHE A 40 32.306 3.520 -14.471 1.00 50.24 N ATOM 384 CA PHE A 40 32.991 4.539 -15.255 1.00 51.53 C ATOM 385 C PHE A 40 33.639 3.908 -16.451 1.00 54.30 C ATOM 386 O PHE A 40 34.321 4.584 -17.221 1.00 56.95 O ATOM 387 CB PHE A 40 34.034 5.281 -14.422 1.00 47.03 C ATOM 388 CG PHE A 40 33.450 6.344 -13.554 1.00 43.02 C ATOM 389 CD1 PHE A 40 32.954 7.505 -14.112 1.00 38.54 C ATOM 390 CD2 PHE A 40 33.378 6.177 -12.182 1.00 42.88 C ATOM 391 CE1 PHE A 40 32.415 8.500 -13.320 1.00 43.46 C ATOM 392 CE2 PHE A 40 32.837 7.164 -11.375 1.00 42.85 C ATOM 393 CZ PHE A 40 32.359 8.336 -11.949 1.00 47.26 C ATOM 394 H PHE A 40 32.852 2.887 -13.853 1.00 0.00 H ATOM 395 N LYS A 41 33.396 2.610 -16.613 1.00 53.71 N ATOM 396 CA LYS A 41 33.910 1.872 -17.746 1.00 50.26 C ATOM 397 C LYS A 41 35.407 2.087 -17.804 1.00 53.43 C ATOM 398 O LYS A 41 35.915 2.581 -18.808 1.00 62.52 O ATOM 399 CB LYS A 41 33.275 2.373 -19.061 1.00 51.93 C ATOM 400 CG LYS A 41 31.881 3.029 -18.932 1.00 56.41 C ATOM 401 CD LYS A 41 30.749 2.191 -19.531 1.00 65.62 C ATOM 402 CE LYS A 41 30.502 2.500 -21.009 1.00 75.31 C ATOM 403 NZ LYS A 41 29.837 3.826 -21.264 1.00 77.23 N ATOM 404 HZ1 LYS A 41 28.911 3.845 -20.791 1.00 0.00 H ATOM 405 HZ2 LYS A 41 30.435 4.590 -20.889 1.00 0.00 H ATOM 406 HZ3 LYS A 41 29.707 3.956 -22.288 1.00 0.00 H ATOM 407 H LYS A 41 32.820 2.112 -15.905 1.00 0.00 H ATOM 408 N VAL A 42 36.115 1.773 -16.722 1.00 47.69 N ATOM 409 CA VAL A 42 37.580 1.875 -16.712 1.00 43.94 C ATOM 410 C VAL A 42 38.124 0.655 -15.984 1.00 48.94 C ATOM 411 O VAL A 42 37.429 0.064 -15.159 1.00 53.89 O ATOM 412 CB VAL A 42 38.100 3.187 -16.038 1.00 47.74 C ATOM 413 CG1 VAL A 42 37.504 4.444 -16.710 1.00 39.15 C ATOM 414 CG2 VAL A 42 37.831 3.173 -14.535 1.00 43.43 C ATOM 415 H VAL A 42 35.621 1.449 -15.866 1.00 0.00 H ATOM 416 N PRO A 43 39.356 0.251 -16.299 1.00 49.04 N ATOM 417 CA PRO A 43 39.873 -1.001 -15.736 1.00 50.38 C ATOM 418 C PRO A 43 40.038 -0.973 -14.222 1.00 48.93 C ATOM 419 O PRO A 43 40.872 -0.234 -13.693 1.00 49.94 O ATOM 420 CB PRO A 43 41.248 -1.154 -16.407 1.00 45.15 C ATOM 421 CG PRO A 43 41.186 -0.297 -17.615 1.00 48.87 C ATOM 422 CD PRO A 43 40.289 0.849 -17.269 1.00 49.07 C ATOM 423 N ALA A 44 39.271 -1.814 -13.543 1.00 48.75 N ATOM 424 CA ALA A 44 39.330 -1.898 -12.100 1.00 45.92 C ATOM 425 C ALA A 44 40.730 -2.205 -11.607 1.00 51.64 C ATOM 426 O ALA A 44 41.152 -1.714 -10.549 1.00 54.22 O ATOM 427 CB ALA A 44 38.359 -2.934 -11.596 1.00 45.33 C ATOM 428 H ALA A 44 38.611 -2.429 -14.060 1.00 0.00 H ATOM 429 N ALA A 45 41.465 -3.007 -12.369 1.00 50.83 N ATOM 430 CA ALA A 45 42.748 -3.511 -11.874 1.00 45.01 C ATOM 431 C ALA A 45 43.844 -2.448 -11.845 1.00 47.13 C ATOM 432 O ALA A 45 44.814 -2.584 -11.098 1.00 50.56 O ATOM 433 CB ALA A 45 43.192 -4.729 -12.663 1.00 36.44 C ATOM 434 H ALA A 45 41.130 -3.277 -13.316 1.00 0.00 H ATOM 435 N THR A 46 43.687 -1.394 -12.647 1.00 46.28 N ATOM 436 CA THR A 46 44.700 -0.339 -12.734 1.00 51.59 C ATOM 437 C THR A 46 44.256 1.026 -12.191 1.00 50.54 C ATOM 438 O THR A 46 45.064 1.942 -12.065 1.00 53.68 O ATOM 439 CB THR A 46 45.197 -0.153 -14.178 1.00 51.06 C ATOM 440 OG1 THR A 46 44.071 -0.023 -15.056 1.00 58.08 O ATOM 441 CG2 THR A 46 46.000 -1.344 -14.595 1.00 47.68 C ATOM 442 HG1 THR A 46 44.391 0.097 -15.985 1.00 0.00 H ATOM 443 H THR A 46 42.825 -1.319 -13.224 1.00 0.00 H ATOM 444 N SER A 47 42.978 1.166 -11.875 1.00 47.18 N ATOM 445 CA SER A 47 42.473 2.448 -11.426 1.00 41.80 C ATOM 446 C SER A 47 42.657 2.576 -9.919 1.00 45.75 C ATOM 447 O SER A 47 42.848 1.576 -9.231 1.00 50.24 O ATOM 448 CB SER A 47 41.006 2.603 -11.829 1.00 46.36 C ATOM 449 OG SER A 47 40.835 2.368 -13.227 1.00 45.50 O ATOM 450 HG SER A 47 41.130 1.448 -13.444 1.00 0.00 H ATOM 451 H SER A 47 42.334 0.353 -11.949 1.00 0.00 H ATOM 452 N ALA A 48 42.627 3.804 -9.407 1.00 40.95 N ATOM 453 CA ALA A 48 42.739 4.029 -7.976 1.00 35.60 C ATOM 454 C ALA A 48 41.700 5.024 -7.517 1.00 37.28 C ATOM 455 O ALA A 48 41.190 5.811 -8.319 1.00 36.55 O ATOM 456 CB ALA A 48 44.130 4.510 -7.597 1.00 30.01 C ATOM 457 H ALA A 48 42.521 4.619 -10.044 1.00 0.00 H ATOM 458 N ILE A 49 41.390 4.965 -6.223 1.00 36.34 N ATOM 459 CA ILE A 49 40.498 5.917 -5.574 1.00 37.49 C ATOM 460 C ILE A 49 41.340 6.719 -4.606 1.00 37.67 C ATOM 461 O ILE A 49 42.016 6.147 -3.751 1.00 37.00 O ATOM 462 CB ILE A 49 39.376 5.213 -4.762 1.00 37.35 C ATOM 463 CG1 ILE A 49 38.668 4.153 -5.605 1.00 41.10 C ATOM 464 CG2 ILE A 49 38.351 6.226 -4.275 1.00 37.46 C ATOM 465 CD1 ILE A 49 37.754 4.725 -6.627 1.00 35.59 C ATOM 466 H ILE A 49 41.804 4.203 -5.649 1.00 0.00 H ATOM 467 N ILE A 50 41.318 8.040 -4.738 1.00 36.99 N ATOM 468 CA ILE A 50 42.043 8.885 -3.798 1.00 37.89 C ATOM 469 C ILE A 50 41.105 9.913 -3.186 1.00 37.63 C ATOM 470 O ILE A 50 40.007 10.142 -3.705 1.00 39.81 O ATOM 471 CB ILE A 50 43.217 9.604 -4.475 1.00 38.34 C ATOM 472 CG1 ILE A 50 42.697 10.728 -5.382 1.00 37.52 C ATOM 473 CG2 ILE A 50 44.054 8.609 -5.250 1.00 35.73 C ATOM 474 CD1 ILE A 50 43.775 11.497 -6.060 1.00 29.97 C ATOM 475 H ILE A 50 40.781 8.474 -5.516 1.00 0.00 H ATOM 476 N THR A 51 41.536 10.520 -2.083 1.00 35.42 N ATOM 477 CA THR A 51 40.745 11.538 -1.387 1.00 37.95 C ATOM 478 C THR A 51 40.920 12.849 -2.129 1.00 43.16 C ATOM 479 O THR A 51 41.802 12.955 -2.988 1.00 43.64 O ATOM 480 CB THR A 51 41.253 11.785 0.049 1.00 38.05 C ATOM 481 OG1 THR A 51 42.512 12.468 -0.007 1.00 40.07 O ATOM 482 CG2 THR A 51 41.410 10.479 0.841 1.00 33.69 C ATOM 483 HG1 THR A 51 42.841 12.628 0.913 1.00 0.00 H ATOM 484 H THR A 51 42.468 10.262 -1.701 1.00 0.00 H ATOM 485 N ASN A 52 40.115 13.856 -1.790 1.00 42.84 N ATOM 486 CA ASN A 52 40.288 15.181 -2.387 1.00 45.10 C ATOM 487 C ASN A 52 41.592 15.877 -1.996 1.00 48.12 C ATOM 488 O ASN A 52 41.957 16.886 -2.588 1.00 53.01 O ATOM 489 CB ASN A 52 39.124 16.097 -2.031 1.00 47.16 C ATOM 490 CG ASN A 52 37.975 15.959 -2.991 1.00 53.97 C ATOM 491 OD1 ASN A 52 38.146 15.489 -4.129 1.00 52.28 O ATOM 492 ND2 ASN A 52 36.788 16.370 -2.550 1.00 49.62 N ATOM 493 HD22 ASN A 52 36.696 16.756 -1.589 1.00 0.00 H ATOM 494 HD21 ASN A 52 35.953 16.305 -3.167 1.00 0.00 H ATOM 495 H ASN A 52 39.357 13.699 -1.095 1.00 0.00 H ATOM 496 N ASP A 53 42.275 15.348 -0.987 1.00 47.11 N ATOM 497 CA ASP A 53 43.525 15.927 -0.511 1.00 49.11 C ATOM 498 C ASP A 53 44.751 15.053 -0.818 1.00 50.78 C ATOM 499 O ASP A 53 45.746 15.112 -0.112 1.00 53.39 O ATOM 500 CB ASP A 53 43.447 16.249 0.997 1.00 49.73 C ATOM 501 CG ASP A 53 43.197 15.006 1.872 1.00 55.76 C ATOM 502 OD1 ASP A 53 42.047 14.525 1.952 1.00 56.62 O ATOM 503 OD2 ASP A 53 44.148 14.524 2.522 1.00 61.78 O ATOM 504 H ASP A 53 41.906 14.494 -0.522 1.00 0.00 H ATOM 505 N GLY A 54 44.678 14.237 -1.862 1.00 45.70 N ATOM 506 CA GLY A 54 45.844 13.496 -2.305 1.00 46.48 C ATOM 507 C GLY A 54 46.380 12.373 -1.426 1.00 44.92 C ATOM 508 O GLY A 54 47.593 12.132 -1.413 1.00 44.69 O ATOM 509 H GLY A 54 43.776 14.128 -2.368 1.00 0.00 H ATOM 510 N ILE A 55 45.490 11.689 -0.703 1.00 45.38 N ATOM 511 CA ILE A 55 45.829 10.443 -0.011 1.00 40.22 C ATOM 512 C ILE A 55 45.294 9.243 -0.791 1.00 37.33 C ATOM 513 O ILE A 55 44.138 9.237 -1.202 1.00 36.30 O ATOM 514 CB ILE A 55 45.188 10.365 1.389 1.00 42.13 C ATOM 515 CG1 ILE A 55 45.525 11.595 2.230 1.00 40.55 C ATOM 516 CG2 ILE A 55 45.617 9.076 2.098 1.00 42.45 C ATOM 517 CD1 ILE A 55 46.984 11.711 2.545 1.00 45.40 C ATOM 518 H ILE A 55 44.519 12.055 -0.628 1.00 0.00 H ATOM 519 N GLY A 56 46.124 8.223 -0.984 1.00 40.43 N ATOM 520 CA GLY A 56 45.669 6.991 -1.606 1.00 40.44 C ATOM 521 C GLY A 56 44.933 6.105 -0.616 1.00 45.82 C ATOM 522 O GLY A 56 45.351 5.939 0.544 1.00 47.45 O ATOM 523 H GLY A 56 47.116 8.308 -0.685 1.00 0.00 H ATOM 524 N ILE A 57 43.810 5.548 -1.044 1.00 43.62 N ATOM 525 CA ILE A 57 43.058 4.693 -0.140 1.00 44.15 C ATOM 526 C ILE A 57 43.466 3.236 -0.251 1.00 43.98 C ATOM 527 O ILE A 57 43.340 2.616 -1.301 1.00 41.41 O ATOM 528 CB ILE A 57 41.547 4.825 -0.323 1.00 45.03 C ATOM 529 CG1 ILE A 57 41.092 6.197 0.170 1.00 41.87 C ATOM 530 CG2 ILE A 57 40.818 3.716 0.452 1.00 40.40 C ATOM 531 CD1 ILE A 57 39.917 6.728 -0.586 1.00 40.79 C ATOM 532 H ILE A 57 43.471 5.720 -2.012 1.00 0.00 H ATOM 533 N ASN A 58 43.973 2.706 0.853 1.00 47.95 N ATOM 534 CA ASN A 58 44.185 1.283 0.976 1.00 49.57 C ATOM 535 C ASN A 58 42.873 0.510 0.828 1.00 49.81 C ATOM 536 O ASN A 58 41.941 0.671 1.626 1.00 51.46 O ATOM 537 CB ASN A 58 44.815 0.979 2.319 1.00 52.76 C ATOM 538 CG ASN A 58 45.379 -0.410 2.387 1.00 49.85 C ATOM 539 OD1 ASN A 58 44.992 -1.304 1.623 1.00 44.88 O ATOM 540 ND2 ASN A 58 46.299 -0.608 3.314 1.00 49.59 N ATOM 541 HD22 ASN A 58 46.591 0.175 3.932 1.00 0.00 H ATOM 542 HD21 ASN A 58 46.731 -1.547 3.425 1.00 0.00 H ATOM 543 H ASN A 58 44.223 3.328 1.648 1.00 0.00 H ATOM 544 N PRO A 59 42.807 -0.342 -0.194 1.00 45.85 N ATOM 545 CA PRO A 59 41.614 -1.126 -0.525 1.00 46.29 C ATOM 546 C PRO A 59 41.343 -2.233 0.482 1.00 45.42 C ATOM 547 O PRO A 59 40.248 -2.793 0.453 1.00 44.23 O ATOM 548 CB PRO A 59 41.979 -1.758 -1.869 1.00 43.22 C ATOM 549 CG PRO A 59 43.194 -1.000 -2.351 1.00 44.19 C ATOM 550 CD PRO A 59 43.908 -0.579 -1.141 1.00 41.27 C ATOM 551 N ALA A 60 42.314 -2.558 1.334 1.00 39.06 N ATOM 552 CA ALA A 60 42.107 -3.616 2.318 1.00 48.17 C ATOM 553 C ALA A 60 41.492 -2.997 3.549 1.00 49.57 C ATOM 554 O ALA A 60 42.080 -2.988 4.638 1.00 55.62 O ATOM 555 CB ALA A 60 43.408 -4.298 2.674 1.00 42.58 C ATOM 556 H ALA A 60 43.224 -2.056 1.298 1.00 0.00 H ATOM 557 N GLN A 61 40.299 -2.469 3.380 1.00 41.41 N ATOM 558 CA GLN A 61 39.769 -1.614 4.395 1.00 43.06 C ATOM 559 C GLN A 61 38.316 -1.446 4.150 1.00 37.25 C ATOM 560 O GLN A 61 37.908 -1.245 3.015 1.00 42.63 O ATOM 561 CB GLN A 61 40.426 -0.254 4.288 1.00 46.89 C ATOM 562 CG GLN A 61 39.939 0.695 5.331 1.00 49.43 C ATOM 563 CD GLN A 61 40.809 1.896 5.403 1.00 50.92 C ATOM 564 OE1 GLN A 61 41.123 2.509 4.379 1.00 55.70 O ATOM 565 NE2 GLN A 61 41.258 2.223 6.604 1.00 54.30 N ATOM 566 HE22 GLN A 61 40.963 1.674 7.437 1.00 0.00 H ATOM 567 HE21 GLN A 61 41.906 3.029 6.715 1.00 0.00 H ATOM 568 H GLN A 61 39.750 -2.671 2.520 1.00 0.00 H ATOM 569 N THR A 62 37.539 -1.532 5.215 1.00 35.85 N ATOM 570 CA THR A 62 36.107 -1.455 5.097 1.00 37.47 C ATOM 571 C THR A 62 35.701 -0.089 4.590 1.00 37.15 C ATOM 572 O THR A 62 36.439 0.896 4.745 1.00 35.73 O ATOM 573 CB THR A 62 35.442 -1.720 6.437 1.00 37.51 C ATOM 574 OG1 THR A 62 35.618 -0.589 7.306 1.00 44.36 O ATOM 575 CG2 THR A 62 36.064 -2.905 7.063 1.00 37.18 C ATOM 576 HG1 THR A 62 35.208 0.211 6.891 1.00 0.00 H ATOM 577 H THR A 62 37.969 -1.657 6.154 1.00 0.00 H ATOM 578 N ALA A 63 34.528 -0.047 3.969 1.00 40.71 N ATOM 579 CA ALA A 63 33.925 1.205 3.520 1.00 37.88 C ATOM 580 C ALA A 63 33.683 2.125 4.694 1.00 35.07 C ATOM 581 O ALA A 63 33.896 3.325 4.575 1.00 32.11 O ATOM 582 CB ALA A 63 32.631 0.938 2.820 1.00 32.70 C ATOM 583 H ALA A 63 34.020 -0.938 3.796 1.00 0.00 H ATOM 584 N GLY A 64 33.221 1.546 5.809 1.00 36.67 N ATOM 585 CA GLY A 64 33.019 2.269 7.049 1.00 32.44 C ATOM 586 C GLY A 64 34.246 3.074 7.443 1.00 33.17 C ATOM 587 O GLY A 64 34.148 4.272 7.711 1.00 36.78 O ATOM 588 H GLY A 64 32.997 0.531 5.784 1.00 0.00 H ATOM 589 N ASN A 65 35.408 2.434 7.464 1.00 34.42 N ATOM 590 CA ASN A 65 36.654 3.127 7.802 1.00 33.65 C ATOM 591 C ASN A 65 36.984 4.275 6.890 1.00 33.34 C ATOM 592 O ASN A 65 37.394 5.349 7.333 1.00 36.21 O ATOM 593 CB ASN A 65 37.823 2.169 7.765 1.00 35.15 C ATOM 594 CG ASN A 65 38.028 1.476 9.071 1.00 44.95 C ATOM 595 OD1 ASN A 65 37.862 2.064 10.148 1.00 40.49 O ATOM 596 ND2 ASN A 65 38.378 0.204 8.996 1.00 54.79 N ATOM 597 HD22 ASN A 65 38.506 -0.246 8.067 1.00 0.00 H ATOM 598 HD21 ASN A 65 38.526 -0.347 9.866 1.00 0.00 H ATOM 599 H ASN A 65 35.435 1.420 7.236 1.00 0.00 H ATOM 600 N VAL A 66 36.822 4.038 5.602 1.00 33.79 N ATOM 601 CA VAL A 66 37.141 5.062 4.629 1.00 35.35 C ATOM 602 C VAL A 66 36.218 6.256 4.851 1.00 33.96 C ATOM 603 O VAL A 66 36.671 7.407 4.894 1.00 34.21 O ATOM 604 CB VAL A 66 37.039 4.530 3.171 1.00 31.66 C ATOM 605 CG1 VAL A 66 37.238 5.664 2.179 1.00 31.38 C ATOM 606 CG2 VAL A 66 38.063 3.441 2.936 1.00 28.84 C ATOM 607 H VAL A 66 36.465 3.114 5.285 1.00 0.00 H ATOM 608 N PHE A 67 34.928 5.967 5.014 1.00 31.89 N ATOM 609 CA PHE A 67 33.937 7.001 5.288 1.00 36.83 C ATOM 610 C PHE A 67 34.343 7.837 6.507 1.00 33.82 C ATOM 611 O PHE A 67 34.410 9.057 6.445 1.00 30.38 O ATOM 612 CB PHE A 67 32.584 6.360 5.557 1.00 35.01 C ATOM 613 CG PHE A 67 31.475 7.354 5.759 1.00 38.06 C ATOM 614 CD1 PHE A 67 30.967 8.075 4.675 1.00 34.75 C ATOM 615 CD2 PHE A 67 30.927 7.564 7.026 1.00 31.92 C ATOM 616 CE1 PHE A 67 29.932 8.986 4.858 1.00 36.71 C ATOM 617 CE2 PHE A 67 29.888 8.477 7.217 1.00 28.35 C ATOM 618 CZ PHE A 67 29.392 9.181 6.140 1.00 36.84 C ATOM 619 H PHE A 67 34.619 4.976 4.944 1.00 0.00 H ATOM 620 N LEU A 68 34.636 7.137 7.593 1.00 31.82 N ATOM 621 CA LEU A 68 34.949 7.740 8.868 1.00 36.87 C ATOM 622 C LEU A 68 36.228 8.568 8.811 1.00 37.70 C ATOM 623 O LEU A 68 36.286 9.667 9.352 1.00 35.83 O ATOM 624 CB LEU A 68 35.105 6.635 9.899 1.00 37.54 C ATOM 625 CG LEU A 68 34.247 6.651 11.153 1.00 41.50 C ATOM 626 CD1 LEU A 68 32.816 7.045 10.848 1.00 39.14 C ATOM 627 CD2 LEU A 68 34.303 5.251 11.770 1.00 39.38 C ATOM 628 H LEU A 68 34.641 6.099 7.524 1.00 0.00 H ATOM 629 N LYS A 69 37.250 8.051 8.139 1.00 38.90 N ATOM 630 CA LYS A 69 38.527 8.759 8.087 1.00 35.72 C ATOM 631 C LYS A 69 38.621 9.846 6.983 1.00 39.37 C ATOM 632 O LYS A 69 39.312 10.838 7.160 1.00 43.89 O ATOM 633 CB LYS A 69 39.675 7.750 7.980 1.00 42.17 C ATOM 634 CG LYS A 69 41.047 8.298 8.390 1.00 58.83 C ATOM 635 CD LYS A 69 42.170 7.252 8.184 1.00 64.17 C ATOM 636 CE LYS A 69 43.541 7.746 8.691 1.00 65.62 C ATOM 637 NZ LYS A 69 44.680 7.236 7.845 1.00 67.74 N ATOM 638 HZ1 LYS A 69 44.685 6.196 7.862 1.00 0.00 H ATOM 639 HZ2 LYS A 69 44.559 7.567 6.867 1.00 0.00 H ATOM 640 HZ3 LYS A 69 45.580 7.594 8.225 1.00 0.00 H ATOM 641 H LYS A 69 37.141 7.140 7.649 1.00 0.00 H ATOM 642 N HIS A 70 37.927 9.683 5.858 1.00 35.85 N ATOM 643 CA HIS A 70 38.152 10.581 4.727 1.00 35.13 C ATOM 644 C HIS A 70 36.888 11.233 4.208 1.00 36.75 C ATOM 645 O HIS A 70 36.943 12.027 3.268 1.00 40.58 O ATOM 646 CB HIS A 70 38.852 9.845 3.575 1.00 35.71 C ATOM 647 CG HIS A 70 40.164 9.239 3.959 1.00 40.11 C ATOM 648 ND1 HIS A 70 41.284 9.997 4.233 1.00 48.32 N ATOM 649 CD2 HIS A 70 40.528 7.949 4.144 1.00 43.96 C ATOM 650 CE1 HIS A 70 42.288 9.197 4.551 1.00 47.42 C ATOM 651 NE2 HIS A 70 41.854 7.949 4.509 1.00 47.40 N ATOM 652 H HIS A 70 37.226 8.918 5.784 1.00 0.00 H ATOM 653 N GLY A 71 35.750 10.901 4.806 1.00 33.30 N ATOM 654 CA GLY A 71 34.493 11.470 4.360 1.00 39.95 C ATOM 655 C GLY A 71 34.013 10.877 3.043 1.00 36.33 C ATOM 656 O GLY A 71 34.475 9.821 2.653 1.00 35.73 O ATOM 657 H GLY A 71 35.760 10.229 5.599 1.00 0.00 H ATOM 658 N SER A 72 33.106 11.563 2.352 1.00 35.39 N ATOM 659 CA SER A 72 32.436 10.991 1.193 1.00 34.68 C ATOM 660 C SER A 72 32.944 11.455 -0.181 1.00 38.84 C ATOM 661 O SER A 72 32.585 10.862 -1.200 1.00 40.05 O ATOM 662 CB SER A 72 30.930 11.211 1.287 1.00 40.67 C ATOM 663 OG SER A 72 30.612 12.590 1.228 1.00 45.02 O ATOM 664 HG SER A 72 30.935 12.966 0.371 1.00 0.00 H ATOM 665 H SER A 72 32.870 12.532 2.647 1.00 0.00 H ATOM 666 N GLU A 73 33.789 12.478 -0.225 1.00 37.89 N ATOM 667 CA GLU A 73 34.296 12.950 -1.506 1.00 39.28 C ATOM 668 C GLU A 73 35.550 12.243 -1.968 1.00 40.09 C ATOM 669 O GLU A 73 36.628 12.531 -1.472 1.00 39.36 O ATOM 670 CB GLU A 73 34.579 14.438 -1.463 1.00 44.66 C ATOM 671 CG GLU A 73 33.453 15.279 -1.991 1.00 46.91 C ATOM 672 CD GLU A 73 32.485 15.620 -0.904 1.00 58.68 C ATOM 673 OE1 GLU A 73 31.967 14.671 -0.259 1.00 57.49 O ATOM 674 OE2 GLU A 73 32.261 16.835 -0.682 1.00 65.81 O ATOM 675 H GLU A 73 34.089 12.943 0.656 1.00 0.00 H ATOM 676 N LEU A 74 35.405 11.350 -2.947 1.00 36.17 N ATOM 677 CA LEU A 74 36.531 10.594 -3.470 1.00 35.06 C ATOM 678 C LEU A 74 36.757 10.842 -4.980 1.00 38.55 C ATOM 679 O LEU A 74 35.857 11.277 -5.705 1.00 33.47 O ATOM 680 CB LEU A 74 36.361 9.106 -3.143 1.00 32.24 C ATOM 681 CG LEU A 74 36.160 8.789 -1.641 1.00 37.80 C ATOM 682 CD1 LEU A 74 35.932 7.299 -1.355 1.00 32.39 C ATOM 683 CD2 LEU A 74 37.324 9.283 -0.794 1.00 35.59 C ATOM 684 H LEU A 74 34.459 11.190 -3.348 1.00 0.00 H ATOM 685 N ARG A 75 37.979 10.610 -5.440 1.00 35.12 N ATOM 686 CA ARG A 75 38.275 10.736 -6.860 1.00 40.03 C ATOM 687 C ARG A 75 38.703 9.387 -7.415 1.00 39.18 C ATOM 688 O ARG A 75 39.423 8.632 -6.743 1.00 39.95 O ATOM 689 CB ARG A 75 39.377 11.762 -7.096 1.00 41.82 C ATOM 690 CG ARG A 75 39.008 13.140 -6.624 1.00 39.92 C ATOM 691 CD ARG A 75 40.199 14.070 -6.640 1.00 39.95 C ATOM 692 NE ARG A 75 39.800 15.391 -6.161 1.00 55.13 N ATOM 693 CZ ARG A 75 40.294 16.539 -6.608 1.00 51.35 C ATOM 694 NH1 ARG A 75 41.229 16.544 -7.555 1.00 55.31 N ATOM 695 NH2 ARG A 75 39.845 17.681 -6.110 1.00 43.97 N ATOM 696 HE ARG A 75 39.076 15.435 -5.415 1.00 0.00 H ATOM 697 HH12 ARG A 75 41.613 17.446 -7.902 1.00 0.00 H ATOM 698 HH11 ARG A 75 41.576 15.646 -7.948 1.00 0.00 H ATOM 699 HH22 ARG A 75 40.227 18.585 -6.455 1.00 0.00 H ATOM 700 HH21 ARG A 75 39.110 17.674 -5.374 1.00 0.00 H ATOM 701 H ARG A 75 38.734 10.335 -4.779 1.00 0.00 H ATOM 702 N ILE A 76 38.250 9.069 -8.623 1.00 35.70 N ATOM 703 CA ILE A 76 38.709 7.840 -9.267 1.00 38.05 C ATOM 704 C ILE A 76 39.763 8.196 -10.306 1.00 36.29 C ATOM 705 O ILE A 76 39.552 9.079 -11.137 1.00 40.70 O ATOM 706 CB ILE A 76 37.542 6.962 -9.845 1.00 35.08 C ATOM 707 CG1 ILE A 76 38.102 5.636 -10.351 1.00 37.44 C ATOM 708 CG2 ILE A 76 36.746 7.701 -10.934 1.00 34.45 C ATOM 709 CD1 ILE A 76 37.077 4.697 -10.943 1.00 36.73 C ATOM 710 H ILE A 76 37.572 9.691 -9.108 1.00 0.00 H ATOM 711 N ILE A 77 40.908 7.525 -10.216 1.00 37.49 N ATOM 712 CA ILE A 77 42.073 7.802 -11.052 1.00 36.57 C ATOM 713 C ILE A 77 42.427 6.627 -11.983 1.00 39.92 C ATOM 714 O ILE A 77 43.062 5.651 -11.570 1.00 40.92 O ATOM 715 CB ILE A 77 43.304 8.093 -10.159 1.00 39.61 C ATOM 716 CG1 ILE A 77 42.977 9.189 -9.126 1.00 38.46 C ATOM 717 CG2 ILE A 77 44.538 8.432 -11.012 1.00 34.37 C ATOM 718 CD1 ILE A 77 42.524 10.500 -9.736 1.00 32.49 C ATOM 719 H ILE A 77 40.977 6.762 -9.513 1.00 0.00 H ATOM 720 N PRO A 78 42.036 6.714 -13.256 1.00 40.75 N ATOM 721 CA PRO A 78 42.439 5.685 -14.221 1.00 36.87 C ATOM 722 C PRO A 78 43.881 5.884 -14.710 1.00 41.80 C ATOM 723 O PRO A 78 44.338 7.025 -14.760 1.00 46.34 O ATOM 724 CB PRO A 78 41.454 5.895 -15.355 1.00 40.96 C ATOM 725 CG PRO A 78 41.161 7.356 -15.308 1.00 43.67 C ATOM 726 CD PRO A 78 41.170 7.740 -13.859 1.00 44.24 C ATOM 727 N ARG A 79 44.594 4.806 -15.046 1.00 48.52 N ATOM 728 CA ARG A 79 45.975 4.921 -15.566 1.00 49.88 C ATOM 729 C ARG A 79 46.043 5.423 -17.011 1.00 54.53 C ATOM 730 O ARG A 79 45.098 5.212 -17.787 1.00 55.64 O ATOM 731 CB ARG A 79 46.741 3.585 -15.480 1.00 50.66 C ATOM 732 CG ARG A 79 47.235 3.212 -14.077 1.00 58.79 C ATOM 733 CD ARG A 79 48.637 2.595 -14.108 1.00 59.46 C ATOM 734 NE ARG A 79 48.746 1.503 -15.074 1.00 59.43 N ATOM 735 CZ ARG A 79 49.067 0.251 -14.761 1.00 62.36 C ATOM 736 NH1 ARG A 79 49.313 -0.070 -13.496 1.00 52.01 N ATOM 737 NH2 ARG A 79 49.143 -0.681 -15.717 1.00 59.70 N ATOM 738 HE ARG A 79 48.560 1.720 -16.074 1.00 0.00 H ATOM 739 HH12 ARG A 79 49.564 -1.048 -13.247 1.00 0.00 H ATOM 740 HH11 ARG A 79 49.254 0.657 -12.754 1.00 0.00 H ATOM 741 HH22 ARG A 79 49.394 -1.660 -15.470 1.00 0.00 H ATOM 742 HH21 ARG A 79 48.951 -0.427 -16.707 1.00 0.00 H ATOM 743 H ARG A 79 44.169 3.863 -14.940 1.00 0.00 H ATOM 744 N ASP A 80 47.162 6.081 -17.359 1.00 58.49 N ATOM 745 CA ASP A 80 47.509 6.407 -18.755 1.00 54.56 C ATOM 746 C ASP A 80 47.923 5.135 -19.486 1.00 58.16 C ATOM 747 O ASP A 80 47.997 4.061 -18.883 1.00 57.38 O ATOM 748 CB ASP A 80 48.631 7.456 -18.839 1.00 52.61 C ATOM 749 CG ASP A 80 49.981 6.960 -18.256 1.00 63.13 C ATOM 750 OD1 ASP A 80 50.032 5.862 -17.633 1.00 57.42 O ATOM 751 OD2 ASP A 80 51.000 7.694 -18.411 1.00 57.93 O ATOM 752 H ASP A 80 47.816 6.375 -16.606 1.00 0.00 H ATOM 753 N ARG A 81 48.198 5.235 -20.777 1.00 57.74 N ATOM 754 CA ARG A 81 48.654 4.048 -21.483 1.00 62.68 C ATOM 755 C ARG A 81 50.141 4.127 -21.766 1.00 59.25 C ATOM 756 O ARG A 81 50.721 5.202 -21.778 1.00 62.11 O ATOM 757 CB ARG A 81 47.830 3.806 -22.752 1.00 64.86 C ATOM 758 CG ARG A 81 46.608 2.926 -22.507 1.00 67.99 C ATOM 759 CD ARG A 81 46.885 1.436 -22.811 1.00 75.65 C ATOM 760 NE ARG A 81 48.006 0.824 -22.076 1.00 74.73 N ATOM 761 CZ ARG A 81 48.553 -0.347 -22.418 1.00 71.65 C ATOM 762 NH1 ARG A 81 48.087 -1.001 -23.476 1.00 68.43 N ATOM 763 NH2 ARG A 81 49.563 -0.870 -21.730 1.00 65.37 N ATOM 764 HE ARG A 81 48.390 1.327 -21.251 1.00 0.00 H ATOM 765 HH12 ARG A 81 48.506 -1.913 -23.750 1.00 0.00 H ATOM 766 HH11 ARG A 81 47.303 -0.601 -24.031 1.00 0.00 H ATOM 767 HH22 ARG A 81 49.970 -1.783 -22.017 1.00 0.00 H ATOM 768 HH21 ARG A 81 49.946 -0.366 -20.904 1.00 0.00 H ATOM 769 H ARG A 81 48.090 6.142 -21.275 1.00 0.00 H ATOM 770 N VAL A 82 50.770 2.984 -21.964 1.00 60.15 N ATOM 771 CA VAL A 82 52.186 2.991 -22.302 1.00 63.62 C ATOM 772 C VAL A 82 52.342 2.723 -23.799 1.00 64.46 C ATOM 773 O VAL A 82 51.807 1.741 -24.328 1.00 64.94 O ATOM 774 CB VAL A 82 52.973 1.989 -21.426 1.00 65.72 C ATOM 775 CG1 VAL A 82 54.412 1.891 -21.867 1.00 65.74 C ATOM 776 CG2 VAL A 82 52.908 2.424 -19.979 1.00 64.27 C ATOM 777 H VAL A 82 50.257 2.083 -21.879 1.00 0.00 H ATOM 778 N GLY A 83 53.047 3.617 -24.488 1.00 66.64 N ATOM 779 CA GLY A 83 53.096 3.577 -25.937 1.00 59.45 C ATOM 780 C GLY A 83 51.771 4.007 -26.549 1.00 61.77 C ATOM 781 O GLY A 83 50.861 3.197 -26.749 1.00 65.18 O ATOM 782 H GLY A 83 53.572 4.357 -23.979 1.00 0.00 H TER 783 GLY A 83 ATOM 784 N SER C 2 17.063 -4.681 22.742 1.00 66.70 N ATOM 785 CA SER C 2 18.451 -4.501 22.306 1.00 66.62 C ATOM 786 C SER C 2 18.931 -5.579 21.313 1.00 64.17 C ATOM 787 O SER C 2 18.487 -6.734 21.351 1.00 60.72 O ATOM 788 CB SER C 2 19.399 -4.438 23.504 1.00 61.74 C ATOM 789 OG SER C 2 20.652 -3.917 23.096 1.00 63.06 O ATOM 790 HG SER C 2 21.262 -3.878 23.875 1.00 0.00 H ATOM 791 HN3 SER C 2 16.966 -5.603 23.213 1.00 0.00 H ATOM 792 HN2 SER C 2 16.434 -4.645 21.915 1.00 0.00 H ATOM 793 HN1 SER C 2 16.809 -3.923 23.407 1.00 0.00 H ATOM 794 N LYS C 3 19.860 -5.190 20.443 1.00 60.31 N ATOM 795 CA LYS C 3 20.255 -6.019 19.307 1.00 59.47 C ATOM 796 C LYS C 3 21.586 -6.768 19.497 1.00 58.90 C ATOM 797 O LYS C 3 22.511 -6.298 20.176 1.00 57.99 O ATOM 798 CB LYS C 3 20.318 -5.163 18.033 1.00 57.07 C ATOM 799 CG LYS C 3 18.972 -4.640 17.570 1.00 57.16 C ATOM 800 CD LYS C 3 19.095 -3.744 16.342 1.00 59.99 C ATOM 801 CE LYS C 3 17.729 -3.522 15.675 1.00 64.38 C ATOM 802 NZ LYS C 3 17.720 -2.544 14.533 1.00 68.51 N ATOM 803 HZ1 LYS C 3 18.037 -1.614 14.873 1.00 0.00 H ATOM 804 HZ2 LYS C 3 18.362 -2.879 13.786 1.00 0.00 H ATOM 805 HZ3 LYS C 3 16.755 -2.465 14.153 1.00 0.00 H ATOM 806 H LYS C 3 20.319 -4.266 20.576 1.00 0.00 H ATOM 807 N VAL C 4 21.664 -7.943 18.886 1.00 51.36 N ATOM 808 CA VAL C 4 22.933 -8.628 18.702 1.00 47.69 C ATOM 809 C VAL C 4 23.271 -8.716 17.195 1.00 47.83 C ATOM 810 O VAL C 4 22.407 -8.557 16.324 1.00 48.67 O ATOM 811 CB VAL C 4 22.908 -10.016 19.338 1.00 49.25 C ATOM 812 CG1 VAL C 4 22.828 -9.895 20.852 1.00 44.17 C ATOM 813 CG2 VAL C 4 21.740 -10.832 18.785 1.00 46.48 C ATOM 814 H VAL C 4 20.794 -8.386 18.529 1.00 0.00 H ATOM 815 N SER C 5 24.532 -8.960 16.883 1.00 41.35 N ATOM 816 CA SER C 5 24.978 -8.810 15.511 1.00 43.98 C ATOM 817 C SER C 5 25.710 -10.062 15.056 1.00 40.06 C ATOM 818 O SER C 5 26.338 -10.742 15.861 1.00 35.05 O ATOM 819 CB SER C 5 25.895 -7.595 15.398 1.00 41.39 C ATOM 820 OG SER C 5 27.009 -7.748 16.279 1.00 39.85 O ATOM 821 HG SER C 5 27.513 -8.564 16.033 1.00 0.00 H ATOM 822 H SER C 5 25.203 -9.259 17.619 1.00 0.00 H ATOM 823 N PHE C 6 25.624 -10.359 13.762 1.00 36.00 N ATOM 824 CA PHE C 6 26.241 -11.563 13.220 1.00 36.01 C ATOM 825 C PHE C 6 26.989 -11.248 11.941 1.00 35.00 C ATOM 826 O PHE C 6 26.577 -10.384 11.155 1.00 39.81 O ATOM 827 CB PHE C 6 25.180 -12.633 12.918 1.00 40.09 C ATOM 828 CG PHE C 6 24.410 -13.088 14.123 1.00 37.95 C ATOM 829 CD1 PHE C 6 24.951 -14.022 14.991 1.00 39.13 C ATOM 830 CD2 PHE C 6 23.149 -12.584 14.381 1.00 36.80 C ATOM 831 CE1 PHE C 6 24.251 -14.440 16.107 1.00 41.07 C ATOM 832 CE2 PHE C 6 22.439 -12.997 15.487 1.00 40.38 C ATOM 833 CZ PHE C 6 22.990 -13.924 16.354 1.00 42.65 C ATOM 834 H PHE C 6 25.107 -9.720 13.125 1.00 0.00 H ATOM 835 N LYS C 7 28.097 -11.950 11.743 1.00 34.78 N ATOM 836 CA LYS C 7 28.843 -11.909 10.498 1.00 35.58 C ATOM 837 C LYS C 7 28.548 -13.226 9.827 1.00 37.28 C ATOM 838 O LYS C 7 28.916 -14.285 10.342 1.00 39.91 O ATOM 839 CB LYS C 7 30.338 -11.826 10.782 1.00 34.86 C ATOM 840 CG LYS C 7 31.176 -11.328 9.614 1.00 38.23 C ATOM 841 CD LYS C 7 32.454 -12.127 9.540 1.00 40.41 C ATOM 842 CE LYS C 7 33.634 -11.305 9.068 1.00 40.88 C ATOM 843 NZ LYS C 7 34.877 -12.134 9.216 1.00 46.23 N ATOM 844 HZ1 LYS C 7 35.001 -12.395 10.215 1.00 0.00 H ATOM 845 HZ2 LYS C 7 34.789 -12.995 8.640 1.00 0.00 H ATOM 846 HZ3 LYS C 7 35.699 -11.584 8.896 1.00 0.00 H ATOM 847 H LYS C 7 28.446 -12.556 12.513 1.00 0.00 H ATOM 848 N ILE C 8 27.850 -13.185 8.704 1.00 35.23 N ATOM 849 CA ILE C 8 27.503 -14.423 8.037 1.00 32.59 C ATOM 850 C ILE C 8 28.299 -14.501 6.752 1.00 34.26 C ATOM 851 O ILE C 8 28.251 -13.600 5.911 1.00 33.58 O ATOM 852 CB ILE C 8 25.988 -14.532 7.810 1.00 37.45 C ATOM 853 CG1 ILE C 8 25.257 -14.380 9.145 1.00 38.97 C ATOM 854 CG2 ILE C 8 25.627 -15.880 7.198 1.00 37.72 C ATOM 855 CD1 ILE C 8 23.764 -14.494 9.043 1.00 38.88 C ATOM 856 H ILE C 8 27.553 -12.272 8.304 1.00 0.00 H ATOM 857 N THR C 9 29.078 -15.562 6.630 1.00 33.35 N ATOM 858 CA THR C 9 29.940 -15.739 5.472 1.00 34.62 C ATOM 859 C THR C 9 29.415 -16.841 4.530 1.00 38.72 C ATOM 860 O THR C 9 29.131 -17.967 4.965 1.00 38.71 O ATOM 861 CB THR C 9 31.360 -16.081 5.931 1.00 34.07 C ATOM 862 OG1 THR C 9 31.915 -14.951 6.609 1.00 38.73 O ATOM 863 CG2 THR C 9 32.234 -16.424 4.752 1.00 38.96 C ATOM 864 HG1 THR C 9 32.834 -15.166 6.909 1.00 0.00 H ATOM 865 H THR C 9 29.074 -16.285 7.377 1.00 0.00 H ATOM 866 N LEU C 10 29.267 -16.521 3.250 1.00 34.09 N ATOM 867 CA LEU C 10 28.866 -17.532 2.274 1.00 38.01 C ATOM 868 C LEU C 10 30.122 -18.260 1.848 1.00 42.64 C ATOM 869 O LEU C 10 30.765 -17.862 0.879 1.00 43.44 O ATOM 870 CB LEU C 10 28.214 -16.889 1.052 1.00 38.39 C ATOM 871 CG LEU C 10 27.658 -17.813 -0.045 1.00 46.52 C ATOM 872 CD1 LEU C 10 26.369 -18.538 0.413 1.00 35.52 C ATOM 873 CD2 LEU C 10 27.429 -17.018 -1.345 1.00 32.00 C ATOM 874 H LEU C 10 29.438 -15.543 2.940 1.00 0.00 H ATOM 875 N THR C 11 30.482 -19.316 2.578 1.00 42.62 N ATOM 876 CA THR C 11 31.784 -19.957 2.389 1.00 45.94 C ATOM 877 C THR C 11 31.912 -20.718 1.057 1.00 47.08 C ATOM 878 O THR C 11 33.019 -20.997 0.604 1.00 49.71 O ATOM 879 CB THR C 11 32.174 -20.853 3.598 1.00 39.52 C ATOM 880 OG1 THR C 11 31.018 -21.541 4.073 1.00 45.77 O ATOM 881 CG2 THR C 11 32.713 -20.010 4.731 1.00 37.48 C ATOM 882 HG1 THR C 11 31.268 -22.111 4.843 1.00 0.00 H ATOM 883 H THR C 11 29.827 -19.690 3.294 1.00 0.00 H ATOM 884 N SER C 12 30.777 -21.028 0.435 1.00 46.28 N ATOM 885 CA SER C 12 30.748 -21.700 -0.862 1.00 43.14 C ATOM 886 C SER C 12 31.070 -20.768 -2.015 1.00 50.68 C ATOM 887 O SER C 12 31.278 -21.220 -3.149 1.00 52.31 O ATOM 888 CB SER C 12 29.387 -22.337 -1.110 1.00 38.42 C ATOM 889 OG SER C 12 28.393 -21.343 -1.259 1.00 42.73 O ATOM 890 HG SER C 12 27.517 -21.775 -1.419 1.00 0.00 H ATOM 891 H SER C 12 29.875 -20.782 0.890 1.00 0.00 H ATOM 892 N ASP C 13 31.079 -19.468 -1.739 1.00 49.10 N ATOM 893 CA ASP C 13 31.572 -18.503 -2.713 1.00 49.53 C ATOM 894 C ASP C 13 33.025 -18.269 -2.373 1.00 52.71 C ATOM 895 O ASP C 13 33.352 -17.803 -1.272 1.00 53.99 O ATOM 896 CB ASP C 13 30.769 -17.206 -2.676 1.00 52.91 C ATOM 897 CG ASP C 13 31.160 -16.235 -3.785 1.00 50.93 C ATOM 898 OD1 ASP C 13 32.359 -16.151 -4.115 1.00 46.34 O ATOM 899 OD2 ASP C 13 30.256 -15.536 -4.303 1.00 52.67 O ATOM 900 H ASP C 13 30.730 -19.136 -0.817 1.00 0.00 H ATOM 901 N PRO C 14 33.914 -18.599 -3.319 1.00 55.90 N ATOM 902 CA PRO C 14 35.346 -18.652 -3.011 1.00 55.12 C ATOM 903 C PRO C 14 35.893 -17.264 -2.697 1.00 54.28 C ATOM 904 O PRO C 14 36.993 -17.155 -2.166 1.00 56.36 O ATOM 905 CB PRO C 14 35.957 -19.220 -4.293 1.00 50.41 C ATOM 906 CG PRO C 14 34.789 -19.827 -5.045 1.00 48.22 C ATOM 907 CD PRO C 14 33.638 -18.960 -4.718 1.00 46.85 C ATOM 908 N ARG C 15 35.115 -16.227 -2.999 1.00 53.49 N ATOM 909 CA ARG C 15 35.431 -14.868 -2.567 1.00 54.32 C ATOM 910 C ARG C 15 35.109 -14.620 -1.080 1.00 53.35 C ATOM 911 O ARG C 15 35.448 -13.568 -0.526 1.00 53.40 O ATOM 912 CB ARG C 15 34.711 -13.858 -3.466 1.00 49.69 C ATOM 913 CG ARG C 15 35.242 -13.843 -4.897 1.00 52.31 C ATOM 914 CD ARG C 15 34.323 -13.112 -5.858 1.00 56.01 C ATOM 915 NE ARG C 15 32.971 -13.667 -5.843 1.00 62.06 N ATOM 916 CZ ARG C 15 31.987 -13.243 -6.631 1.00 68.84 C ATOM 917 NH1 ARG C 15 32.213 -12.264 -7.502 1.00 72.39 N ATOM 918 NH2 ARG C 15 30.780 -13.793 -6.553 1.00 67.86 N ATOM 919 HE ARG C 15 32.766 -14.439 -5.177 1.00 0.00 H ATOM 920 HH12 ARG C 15 31.446 -11.930 -8.120 1.00 0.00 H ATOM 921 HH11 ARG C 15 33.157 -11.832 -7.566 1.00 0.00 H ATOM 922 HH22 ARG C 15 30.015 -13.457 -7.172 1.00 0.00 H ATOM 923 HH21 ARG C 15 30.601 -14.559 -5.873 1.00 0.00 H ATOM 924 H ARG C 15 34.255 -16.390 -3.560 1.00 0.00 H ATOM 925 N LEU C 16 34.464 -15.595 -0.443 1.00 50.76 N ATOM 926 CA LEU C 16 34.047 -15.472 0.955 1.00 48.03 C ATOM 927 C LEU C 16 33.391 -14.148 1.284 1.00 44.61 C ATOM 928 O LEU C 16 33.806 -13.478 2.228 1.00 45.19 O ATOM 929 CB LEU C 16 35.232 -15.656 1.886 1.00 46.10 C ATOM 930 CG LEU C 16 35.964 -16.981 1.698 1.00 52.70 C ATOM 931 CD1 LEU C 16 36.946 -17.158 2.835 1.00 62.18 C ATOM 932 CD2 LEU C 16 34.991 -18.153 1.634 1.00 46.55 C ATOM 933 H LEU C 16 34.249 -16.474 -0.956 1.00 0.00 H ATOM 934 N PRO C 17 32.363 -13.767 0.514 1.00 43.76 N ATOM 935 CA PRO C 17 31.657 -12.532 0.845 1.00 43.38 C ATOM 936 C PRO C 17 30.831 -12.741 2.125 1.00 42.93 C ATOM 937 O PRO C 17 30.323 -13.846 2.380 1.00 40.04 O ATOM 938 CB PRO C 17 30.735 -12.342 -0.360 1.00 34.41 C ATOM 939 CG PRO C 17 30.399 -13.711 -0.755 1.00 37.23 C ATOM 940 CD PRO C 17 31.634 -14.544 -0.505 1.00 40.74 C ATOM 941 N TYR C 18 30.697 -11.685 2.918 1.00 33.58 N ATOM 942 CA TYR C 18 30.002 -11.783 4.183 1.00 33.57 C ATOM 943 C TYR C 18 29.039 -10.618 4.317 1.00 34.76 C ATOM 944 O TYR C 18 29.180 -9.603 3.643 1.00 36.49 O ATOM 945 CB TYR C 18 31.007 -11.787 5.354 1.00 37.58 C ATOM 946 CG TYR C 18 31.910 -10.570 5.385 1.00 32.91 C ATOM 947 CD1 TYR C 18 31.442 -9.345 5.852 1.00 32.47 C ATOM 948 CD2 TYR C 18 33.227 -10.641 4.931 1.00 35.51 C ATOM 949 CE1 TYR C 18 32.252 -8.230 5.865 1.00 34.40 C ATOM 950 CE2 TYR C 18 34.052 -9.525 4.943 1.00 32.21 C ATOM 951 CZ TYR C 18 33.555 -8.325 5.414 1.00 35.64 C ATOM 952 OH TYR C 18 34.349 -7.210 5.437 1.00 37.84 O ATOM 953 HH TYR C 18 33.834 -6.447 5.802 1.00 0.00 H ATOM 954 H TYR C 18 31.099 -10.772 2.625 1.00 0.00 H ATOM 955 N LYS C 19 28.059 -10.753 5.195 1.00 36.68 N ATOM 956 CA LYS C 19 27.167 -9.638 5.471 1.00 38.84 C ATOM 957 C LYS C 19 26.967 -9.541 6.974 1.00 35.03 C ATOM 958 O LYS C 19 27.060 -10.545 7.685 1.00 36.03 O ATOM 959 CB LYS C 19 25.831 -9.789 4.716 1.00 37.53 C ATOM 960 CG LYS C 19 25.978 -9.664 3.208 1.00 36.48 C ATOM 961 CD LYS C 19 24.665 -9.739 2.453 1.00 40.98 C ATOM 962 CE LYS C 19 24.909 -9.877 0.944 1.00 45.45 C ATOM 963 NZ LYS C 19 25.777 -8.800 0.316 1.00 38.08 N ATOM 964 HZ1 LYS C 19 25.331 -7.871 0.456 1.00 0.00 H ATOM 965 HZ2 LYS C 19 26.715 -8.806 0.765 1.00 0.00 H ATOM 966 HZ3 LYS C 19 25.878 -8.988 -0.702 1.00 0.00 H ATOM 967 H LYS C 19 27.926 -11.658 5.689 1.00 0.00 H ATOM 968 N VAL C 20 26.737 -8.333 7.469 1.00 36.63 N ATOM 969 CA VAL C 20 26.500 -8.178 8.891 1.00 37.69 C ATOM 970 C VAL C 20 25.034 -7.936 9.139 1.00 35.90 C ATOM 971 O VAL C 20 24.415 -7.130 8.459 1.00 38.86 O ATOM 972 CB VAL C 20 27.314 -7.030 9.485 1.00 42.03 C ATOM 973 CG1 VAL C 20 27.104 -6.969 11.027 1.00 34.61 C ATOM 974 CG2 VAL C 20 28.790 -7.210 9.136 1.00 33.36 C ATOM 975 H VAL C 20 26.727 -7.503 6.842 1.00 0.00 H ATOM 976 N LEU C 21 24.474 -8.641 10.112 1.00 36.83 N ATOM 977 CA LEU C 21 23.075 -8.456 10.439 1.00 38.09 C ATOM 978 C LEU C 21 22.919 -8.172 11.940 1.00 42.69 C ATOM 979 O LEU C 21 23.533 -8.845 12.764 1.00 42.88 O ATOM 980 CB LEU C 21 22.259 -9.684 10.012 1.00 40.74 C ATOM 981 CG LEU C 21 22.093 -10.045 8.526 1.00 44.17 C ATOM 982 CD1 LEU C 21 23.315 -10.725 7.964 1.00 43.20 C ATOM 983 CD2 LEU C 21 20.911 -10.954 8.322 1.00 47.46 C ATOM 984 H LEU C 21 25.042 -9.331 10.644 1.00 0.00 H ATOM 985 N SER C 22 22.137 -7.148 12.287 1.00 48.34 N ATOM 986 CA SER C 22 21.775 -6.875 13.682 1.00 46.85 C ATOM 987 C SER C 22 20.284 -7.035 13.838 1.00 50.78 C ATOM 988 O SER C 22 19.499 -6.370 13.155 1.00 51.60 O ATOM 989 CB SER C 22 22.141 -5.455 14.097 1.00 47.33 C ATOM 990 OG SER C 22 23.538 -5.263 14.087 1.00 52.39 O ATOM 991 HG SER C 22 23.744 -4.334 14.360 1.00 0.00 H ATOM 992 H SER C 22 21.771 -6.521 11.542 1.00 0.00 H ATOM 993 N VAL C 23 19.886 -7.924 14.729 1.00 48.29 N ATOM 994 CA VAL C 23 18.479 -8.090 15.021 1.00 54.32 C ATOM 995 C VAL C 23 18.267 -8.042 16.532 1.00 61.02 C ATOM 996 O VAL C 23 19.185 -8.361 17.301 1.00 62.24 O ATOM 997 CB VAL C 23 17.924 -9.405 14.430 1.00 55.03 C ATOM 998 CG1 VAL C 23 18.050 -9.400 12.911 1.00 47.67 C ATOM 999 CG2 VAL C 23 18.616 -10.596 15.035 1.00 47.34 C ATOM 1000 H VAL C 23 20.589 -8.509 15.224 1.00 0.00 H ATOM 1001 N PRO C 24 17.074 -7.591 16.965 1.00 62.63 N ATOM 1002 CA PRO C 24 16.695 -7.559 18.387 1.00 58.48 C ATOM 1003 C PRO C 24 16.926 -8.909 19.041 1.00 55.41 C ATOM 1004 O PRO C 24 16.479 -9.905 18.502 1.00 57.19 O ATOM 1005 CB PRO C 24 15.193 -7.248 18.349 1.00 60.44 C ATOM 1006 CG PRO C 24 14.841 -7.024 16.847 1.00 66.35 C ATOM 1007 CD PRO C 24 16.131 -6.831 16.128 1.00 56.17 C ATOM 1008 N GLU C 25 17.595 -8.942 20.189 1.00 55.07 N ATOM 1009 CA GLU C 25 18.013 -10.209 20.782 1.00 58.59 C ATOM 1010 C GLU C 25 16.884 -11.206 21.058 1.00 57.72 C ATOM 1011 O GLU C 25 17.133 -12.335 21.486 1.00 56.71 O ATOM 1012 CB GLU C 25 18.819 -9.972 22.056 1.00 55.62 C ATOM 1013 CG GLU C 25 18.050 -9.340 23.175 1.00 61.15 C ATOM 1014 CD GLU C 25 18.632 -9.701 24.526 1.00 70.19 C ATOM 1015 OE1 GLU C 25 18.305 -9.008 25.520 1.00 74.63 O ATOM 1016 OE2 GLU C 25 19.414 -10.687 24.586 1.00 68.71 O ATOM 1017 H GLU C 25 17.825 -8.051 20.673 1.00 0.00 H ATOM 1018 N SER C 26 15.646 -10.795 20.817 1.00 58.15 N ATOM 1019 CA SER C 26 14.519 -11.692 21.036 1.00 63.07 C ATOM 1020 C SER C 26 14.098 -12.359 19.733 1.00 57.11 C ATOM 1021 O SER C 26 13.544 -13.453 19.766 1.00 56.42 O ATOM 1022 CB SER C 26 13.343 -10.979 21.720 1.00 59.93 C ATOM 1023 OG SER C 26 13.115 -9.704 21.146 1.00 67.27 O ATOM 1024 HG SER C 26 12.354 -9.268 21.605 1.00 0.00 H ATOM 1025 H SER C 26 15.479 -9.829 20.470 1.00 0.00 H ATOM 1026 N THR C 27 14.394 -11.697 18.608 1.00 61.02 N ATOM 1027 CA THR C 27 14.142 -12.203 17.248 1.00 51.00 C ATOM 1028 C THR C 27 14.320 -13.705 17.136 1.00 54.52 C ATOM 1029 O THR C 27 15.315 -14.254 17.622 1.00 52.42 O ATOM 1030 CB THR C 27 15.118 -11.588 16.231 1.00 54.66 C ATOM 1031 OG1 THR C 27 15.142 -10.159 16.362 1.00 60.37 O ATOM 1032 CG2 THR C 27 14.721 -11.960 14.814 1.00 53.96 C ATOM 1033 HG1 THR C 27 15.434 -9.917 17.277 1.00 0.00 H ATOM 1034 H THR C 27 14.833 -10.759 18.701 1.00 0.00 H ATOM 1035 N PRO C 28 13.342 -14.387 16.525 1.00 53.70 N ATOM 1036 CA PRO C 28 13.578 -15.819 16.323 1.00 59.30 C ATOM 1037 C PRO C 28 14.637 -15.972 15.237 1.00 58.39 C ATOM 1038 O PRO C 28 14.629 -15.207 14.264 1.00 55.86 O ATOM 1039 CB PRO C 28 12.217 -16.341 15.849 1.00 60.99 C ATOM 1040 CG PRO C 28 11.517 -15.113 15.246 1.00 51.16 C ATOM 1041 CD PRO C 28 12.025 -13.940 16.025 1.00 48.53 C ATOM 1042 N PHE C 29 15.539 -16.936 15.396 1.00 57.48 N ATOM 1043 CA PHE C 29 16.627 -17.083 14.436 1.00 58.74 C ATOM 1044 C PHE C 29 16.155 -17.427 13.025 1.00 59.92 C ATOM 1045 O PHE C 29 16.917 -17.342 12.059 1.00 62.21 O ATOM 1046 CB PHE C 29 17.667 -18.091 14.914 1.00 59.77 C ATOM 1047 CG PHE C 29 19.028 -17.838 14.349 1.00 56.04 C ATOM 1048 CD1 PHE C 29 19.776 -16.757 14.787 1.00 56.82 C ATOM 1049 CD2 PHE C 29 19.547 -18.654 13.366 1.00 56.85 C ATOM 1050 CE1 PHE C 29 21.033 -16.503 14.252 1.00 57.67 C ATOM 1051 CE2 PHE C 29 20.799 -18.410 12.835 1.00 54.10 C ATOM 1052 CZ PHE C 29 21.544 -17.337 13.278 1.00 52.28 C ATOM 1053 H PHE C 29 15.469 -17.585 16.205 1.00 0.00 H ATOM 1054 N THR C 30 14.891 -17.806 12.918 1.00 58.08 N ATOM 1055 CA THR C 30 14.271 -18.079 11.642 1.00 55.63 C ATOM 1056 C THR C 30 14.248 -16.809 10.811 1.00 59.54 C ATOM 1057 O THR C 30 14.368 -16.832 9.573 1.00 58.34 O ATOM 1058 CB THR C 30 12.842 -18.533 11.865 1.00 57.16 C ATOM 1059 OG1 THR C 30 12.856 -19.678 12.720 1.00 58.28 O ATOM 1060 CG2 THR C 30 12.185 -18.893 10.544 1.00 64.41 C ATOM 1061 HG1 THR C 30 11.927 -19.985 12.874 1.00 0.00 H ATOM 1062 H THR C 30 14.324 -17.911 13.784 1.00 0.00 H ATOM 1063 N ALA C 31 14.083 -15.690 11.500 1.00 57.65 N ATOM 1064 CA ALA C 31 14.003 -14.429 10.801 1.00 57.92 C ATOM 1065 C ALA C 31 15.360 -14.113 10.168 1.00 57.82 C ATOM 1066 O ALA C 31 15.438 -13.725 8.997 1.00 56.01 O ATOM 1067 CB ALA C 31 13.553 -13.331 11.750 1.00 54.05 C ATOM 1068 H ALA C 31 14.012 -15.719 12.537 1.00 0.00 H ATOM 1069 N VAL C 32 16.427 -14.314 10.940 1.00 55.76 N ATOM 1070 CA VAL C 32 17.785 -14.052 10.466 1.00 53.21 C ATOM 1071 C VAL C 32 18.196 -14.965 9.319 1.00 50.50 C ATOM 1072 O VAL C 32 18.798 -14.501 8.349 1.00 48.76 O ATOM 1073 CB VAL C 32 18.810 -14.228 11.584 1.00 57.98 C ATOM 1074 CG1 VAL C 32 20.208 -13.900 11.068 1.00 42.68 C ATOM 1075 CG2 VAL C 32 18.443 -13.355 12.771 1.00 56.95 C ATOM 1076 H VAL C 32 16.290 -14.668 11.908 1.00 0.00 H ATOM 1077 N LEU C 33 17.885 -16.258 9.447 1.00 50.05 N ATOM 1078 CA LEU C 33 18.100 -17.225 8.373 1.00 48.37 C ATOM 1079 C LEU C 33 17.429 -16.710 7.098 1.00 50.80 C ATOM 1080 O LEU C 33 18.049 -16.686 6.020 1.00 49.52 O ATOM 1081 CB LEU C 33 17.538 -18.595 8.760 1.00 48.50 C ATOM 1082 CG LEU C 33 18.088 -19.888 8.134 1.00 49.17 C ATOM 1083 CD1 LEU C 33 17.169 -21.063 8.439 1.00 43.86 C ATOM 1084 CD2 LEU C 33 18.328 -19.792 6.631 1.00 44.10 C ATOM 1085 H LEU C 33 17.475 -16.588 10.344 1.00 0.00 H ATOM 1086 N LYS C 34 16.179 -16.272 7.232 1.00 46.53 N ATOM 1087 CA LYS C 34 15.422 -15.782 6.087 1.00 51.20 C ATOM 1088 C LYS C 34 16.070 -14.535 5.510 1.00 53.65 C ATOM 1089 O LYS C 34 16.300 -14.437 4.284 1.00 48.47 O ATOM 1090 CB LYS C 34 13.972 -15.496 6.487 1.00 59.79 C ATOM 1091 CG LYS C 34 13.065 -15.154 5.316 1.00 64.15 C ATOM 1092 CD LYS C 34 11.593 -15.165 5.732 1.00 77.91 C ATOM 1093 CE LYS C 34 11.160 -13.851 6.382 1.00 75.29 C ATOM 1094 NZ LYS C 34 11.109 -12.721 5.396 1.00 76.29 N ATOM 1095 HZ1 LYS C 34 12.052 -12.582 4.981 1.00 0.00 H ATOM 1096 HZ2 LYS C 34 10.429 -12.950 4.643 1.00 0.00 H ATOM 1097 HZ3 LYS C 34 10.811 -11.851 5.882 1.00 0.00 H ATOM 1098 H LYS C 34 15.734 -16.280 8.172 1.00 0.00 H ATOM 1099 N PHE C 35 16.375 -13.593 6.408 1.00 53.40 N ATOM 1100 CA PHE C 35 17.041 -12.340 6.044 1.00 54.19 C ATOM 1101 C PHE C 35 18.358 -12.597 5.336 1.00 50.40 C ATOM 1102 O PHE C 35 18.631 -12.039 4.266 1.00 55.93 O ATOM 1103 CB PHE C 35 17.320 -11.497 7.281 1.00 60.21 C ATOM 1104 CG PHE C 35 16.189 -10.589 7.680 1.00 64.86 C ATOM 1105 CD1 PHE C 35 15.808 -9.533 6.862 1.00 66.45 C ATOM 1106 CD2 PHE C 35 15.539 -10.763 8.899 1.00 64.01 C ATOM 1107 CE1 PHE C 35 14.776 -8.681 7.238 1.00 68.33 C ATOM 1108 CE2 PHE C 35 14.508 -9.922 9.282 1.00 68.30 C ATOM 1109 CZ PHE C 35 14.127 -8.875 8.450 1.00 73.93 C ATOM 1110 H PHE C 35 16.130 -13.756 7.405 1.00 0.00 H ATOM 1111 N ALA C 36 19.170 -13.451 5.942 1.00 47.15 N ATOM 1112 CA ALA C 36 20.449 -13.821 5.372 1.00 44.07 C ATOM 1113 C ALA C 36 20.261 -14.465 3.996 1.00 47.57 C ATOM 1114 O ALA C 36 20.981 -14.140 3.041 1.00 45.85 O ATOM 1115 CB ALA C 36 21.191 -14.752 6.322 1.00 43.81 C ATOM 1116 H ALA C 36 18.881 -13.866 6.851 1.00 0.00 H ATOM 1117 N ALA C 37 19.281 -15.362 3.887 1.00 49.63 N ATOM 1118 CA ALA C 37 18.985 -16.009 2.608 1.00 46.17 C ATOM 1119 C ALA C 37 18.685 -14.969 1.545 1.00 49.58 C ATOM 1120 O ALA C 37 19.268 -14.991 0.444 1.00 48.30 O ATOM 1121 CB ALA C 37 17.822 -16.959 2.750 1.00 47.41 C ATOM 1122 H ALA C 37 18.717 -15.606 4.726 1.00 0.00 H ATOM 1123 N GLU C 38 17.788 -14.045 1.881 1.00 50.95 N ATOM 1124 CA GLU C 38 17.395 -13.013 0.930 1.00 47.42 C ATOM 1125 C GLU C 38 18.592 -12.190 0.500 1.00 48.91 C ATOM 1126 O GLU C 38 18.863 -12.054 -0.690 1.00 51.99 O ATOM 1127 CB GLU C 38 16.324 -12.108 1.517 1.00 50.48 C ATOM 1128 CG GLU C 38 15.059 -12.834 1.942 1.00 54.99 C ATOM 1129 CD GLU C 38 14.103 -11.912 2.689 1.00 69.07 C ATOM 1130 OE1 GLU C 38 14.440 -10.712 2.820 1.00 70.78 O ATOM 1131 OE2 GLU C 38 13.030 -12.375 3.151 1.00 70.86 O ATOM 1132 H GLU C 38 17.364 -14.060 2.830 1.00 0.00 H ATOM 1133 N GLU C 39 19.336 -11.663 1.464 1.00 51.04 N ATOM 1134 CA GLU C 39 20.483 -10.829 1.115 1.00 49.71 C ATOM 1135 C GLU C 39 21.495 -11.615 0.280 1.00 45.71 C ATOM 1136 O GLU C 39 22.101 -11.096 -0.652 1.00 50.64 O ATOM 1137 CB GLU C 39 21.126 -10.235 2.377 1.00 52.18 C ATOM 1138 CG GLU C 39 20.133 -9.497 3.279 1.00 50.20 C ATOM 1139 CD GLU C 39 20.787 -8.788 4.471 1.00 52.91 C ATOM 1140 OE1 GLU C 39 22.023 -8.824 4.593 1.00 52.99 O ATOM 1141 OE2 GLU C 39 20.057 -8.189 5.292 1.00 56.21 O ATOM 1142 H GLU C 39 19.104 -11.843 2.462 1.00 0.00 H ATOM 1143 N PHE C 40 21.662 -12.888 0.595 1.00 49.82 N ATOM 1144 CA PHE C 40 22.605 -13.694 -0.160 1.00 48.44 C ATOM 1145 C PHE C 40 21.989 -14.292 -1.422 1.00 53.89 C ATOM 1146 O PHE C 40 22.691 -14.944 -2.223 1.00 51.14 O ATOM 1147 CB PHE C 40 23.210 -14.776 0.722 1.00 44.41 C ATOM 1148 CG PHE C 40 24.433 -14.330 1.458 1.00 43.33 C ATOM 1149 CD1 PHE C 40 25.610 -14.062 0.771 1.00 41.95 C ATOM 1150 CD2 PHE C 40 24.412 -14.175 2.840 1.00 40.54 C ATOM 1151 CE1 PHE C 40 26.768 -13.655 1.459 1.00 42.73 C ATOM 1152 CE2 PHE C 40 25.556 -13.766 3.529 1.00 41.15 C ATOM 1153 CZ PHE C 40 26.735 -13.503 2.833 1.00 36.19 C ATOM 1154 H PHE C 40 21.122 -13.309 1.378 1.00 0.00 H ATOM 1155 N LYS C 41 20.686 -14.062 -1.597 1.00 52.03 N ATOM 1156 CA LYS C 41 19.999 -14.453 -2.822 1.00 53.93 C ATOM 1157 C LYS C 41 20.061 -15.970 -3.000 1.00 53.30 C ATOM 1158 O LYS C 41 20.462 -16.471 -4.057 1.00 45.22 O ATOM 1159 CB LYS C 41 20.622 -13.752 -4.030 1.00 50.58 C ATOM 1160 CG LYS C 41 20.419 -12.241 -4.075 1.00 55.59 C ATOM 1161 CD LYS C 41 21.081 -11.657 -5.339 1.00 65.64 C ATOM 1162 CE LYS C 41 20.410 -10.365 -5.812 1.00 67.07 C ATOM 1163 NZ LYS C 41 20.834 -9.992 -7.197 1.00 67.59 N ATOM 1164 HZ1 LYS C 41 21.864 -9.851 -7.217 1.00 0.00 H ATOM 1165 HZ2 LYS C 41 20.575 -10.755 -7.855 1.00 0.00 H ATOM 1166 HZ3 LYS C 41 20.357 -9.112 -7.479 1.00 0.00 H ATOM 1167 H LYS C 41 20.148 -13.592 -0.841 1.00 0.00 H ATOM 1168 N VAL C 42 19.698 -16.687 -1.939 1.00 46.43 N ATOM 1169 CA VAL C 42 19.612 -18.131 -1.970 1.00 47.07 C ATOM 1170 C VAL C 42 18.343 -18.510 -1.221 1.00 53.33 C ATOM 1171 O VAL C 42 17.880 -17.745 -0.376 1.00 58.39 O ATOM 1172 CB VAL C 42 20.851 -18.793 -1.317 1.00 48.57 C ATOM 1173 CG1 VAL C 42 22.092 -18.531 -2.145 1.00 40.91 C ATOM 1174 CG2 VAL C 42 21.035 -18.316 0.124 1.00 48.00 C ATOM 1175 H VAL C 42 19.468 -16.191 -1.055 1.00 0.00 H ATOM 1176 N PRO C 43 17.759 -19.677 -1.545 1.00 51.80 N ATOM 1177 CA PRO C 43 16.495 -20.157 -0.962 1.00 48.34 C ATOM 1178 C PRO C 43 16.490 -20.266 0.554 1.00 50.29 C ATOM 1179 O PRO C 43 17.278 -21.031 1.101 1.00 50.09 O ATOM 1180 CB PRO C 43 16.367 -21.561 -1.544 1.00 47.29 C ATOM 1181 CG PRO C 43 17.058 -21.472 -2.863 1.00 48.23 C ATOM 1182 CD PRO C 43 18.204 -20.526 -2.667 1.00 49.97 C ATOM 1183 N ALA C 44 15.586 -19.554 1.220 1.00 49.67 N ATOM 1184 CA ALA C 44 15.478 -19.660 2.670 1.00 50.09 C ATOM 1185 C ALA C 44 15.108 -21.074 3.097 1.00 52.85 C ATOM 1186 O ALA C 44 15.600 -21.586 4.106 1.00 55.00 O ATOM 1187 CB ALA C 44 14.476 -18.665 3.206 1.00 51.96 C ATOM 1188 H ALA C 44 14.950 -18.915 0.702 1.00 0.00 H ATOM 1189 N ALA C 45 14.253 -21.716 2.313 1.00 55.03 N ATOM 1190 CA ALA C 45 13.755 -23.046 2.662 1.00 56.07 C ATOM 1191 C ALA C 45 14.848 -24.122 2.719 1.00 58.67 C ATOM 1192 O ALA C 45 14.807 -25.006 3.575 1.00 55.10 O ATOM 1193 CB ALA C 45 12.663 -23.460 1.698 1.00 56.62 C ATOM 1194 H ALA C 45 13.930 -21.265 1.433 1.00 0.00 H ATOM 1195 N THR C 46 15.821 -24.054 1.812 1.00 53.52 N ATOM 1196 CA THR C 46 16.856 -25.082 1.777 1.00 53.35 C ATOM 1197 C THR C 46 18.213 -24.632 2.335 1.00 54.14 C ATOM 1198 O THR C 46 19.180 -25.386 2.283 1.00 55.97 O ATOM 1199 CB THR C 46 17.068 -25.617 0.357 1.00 54.69 C ATOM 1200 OG1 THR C 46 17.516 -24.552 -0.487 1.00 61.22 O ATOM 1201 CG2 THR C 46 15.774 -26.185 -0.202 1.00 52.73 C ATOM 1202 HG1 THR C 46 17.654 -24.896 -1.405 1.00 0.00 H ATOM 1203 H THR C 46 15.843 -23.269 1.130 1.00 0.00 H ATOM 1204 N SER C 47 18.296 -23.415 2.864 1.00 48.22 N ATOM 1205 CA SER C 47 19.573 -22.926 3.366 1.00 45.47 C ATOM 1206 C SER C 47 19.734 -23.221 4.853 1.00 44.20 C ATOM 1207 O SER C 47 18.766 -23.224 5.597 1.00 46.43 O ATOM 1208 CB SER C 47 19.736 -21.428 3.094 1.00 45.43 C ATOM 1209 OG SER C 47 19.779 -21.159 1.705 1.00 42.58 O ATOM 1210 HG SER C 47 18.937 -21.466 1.284 1.00 0.00 H ATOM 1211 H SER C 47 17.450 -22.813 2.919 1.00 0.00 H ATOM 1212 N ALA C 48 20.959 -23.490 5.277 1.00 36.47 N ATOM 1213 CA ALA C 48 21.226 -23.663 6.690 1.00 39.05 C ATOM 1214 C ALA C 48 22.216 -22.617 7.160 1.00 40.42 C ATOM 1215 O ALA C 48 22.958 -22.029 6.358 1.00 38.64 O ATOM 1216 CB ALA C 48 21.756 -25.047 6.978 1.00 32.44 C ATOM 1217 H ALA C 48 21.735 -23.578 4.590 1.00 0.00 H ATOM 1218 N ILE C 49 22.211 -22.376 8.464 1.00 43.61 N ATOM 1219 CA ILE C 49 23.217 -21.528 9.072 1.00 39.97 C ATOM 1220 C ILE C 49 23.946 -22.383 10.062 1.00 38.05 C ATOM 1221 O ILE C 49 23.333 -23.010 10.916 1.00 42.03 O ATOM 1222 CB ILE C 49 22.610 -20.348 9.824 1.00 38.58 C ATOM 1223 CG1 ILE C 49 21.777 -19.480 8.885 1.00 38.93 C ATOM 1224 CG2 ILE C 49 23.724 -19.518 10.454 1.00 44.44 C ATOM 1225 CD1 ILE C 49 22.592 -18.526 8.053 1.00 40.50 C ATOM 1226 H ILE C 49 21.473 -22.802 9.060 1.00 0.00 H ATOM 1227 N ILE C 50 25.260 -22.416 9.943 1.00 37.19 N ATOM 1228 CA ILE C 50 26.069 -23.176 10.865 1.00 40.02 C ATOM 1229 C ILE C 50 27.142 -22.272 11.429 1.00 43.46 C ATOM 1230 O ILE C 50 27.303 -21.121 10.994 1.00 44.12 O ATOM 1231 CB ILE C 50 26.751 -24.362 10.170 1.00 37.68 C ATOM 1232 CG1 ILE C 50 27.839 -23.863 9.223 1.00 38.26 C ATOM 1233 CG2 ILE C 50 25.722 -25.203 9.445 1.00 38.59 C ATOM 1234 CD1 ILE C 50 28.781 -24.965 8.756 1.00 38.15 C ATOM 1235 H ILE C 50 25.719 -21.887 9.174 1.00 0.00 H ATOM 1236 N THR C 51 27.884 -22.804 12.391 1.00 39.85 N ATOM 1237 CA THR C 51 28.968 -22.067 13.001 1.00 44.94 C ATOM 1238 C THR C 51 30.282 -22.434 12.337 1.00 48.87 C ATOM 1239 O THR C 51 30.352 -23.409 11.586 1.00 48.17 O ATOM 1240 CB THR C 51 29.102 -22.403 14.502 1.00 47.88 C ATOM 1241 OG1 THR C 51 29.624 -23.735 14.660 1.00 43.94 O ATOM 1242 CG2 THR C 51 27.760 -22.269 15.213 1.00 44.89 C ATOM 1243 HG1 THR C 51 29.707 -23.943 15.624 1.00 0.00 H ATOM 1244 H THR C 51 27.682 -23.772 12.713 1.00 0.00 H ATOM 1245 N ASN C 52 31.317 -21.653 12.646 1.00 48.99 N ATOM 1246 CA ASN C 52 32.685 -21.920 12.224 1.00 48.45 C ATOM 1247 C ASN C 52 33.192 -23.314 12.564 1.00 46.57 C ATOM 1248 O ASN C 52 34.003 -23.868 11.829 1.00 56.66 O ATOM 1249 CB ASN C 52 33.629 -20.898 12.858 1.00 55.71 C ATOM 1250 CG ASN C 52 33.810 -19.665 12.007 1.00 55.56 C ATOM 1251 OD1 ASN C 52 33.591 -19.690 10.784 1.00 60.36 O ATOM 1252 ND2 ASN C 52 34.221 -18.571 12.642 1.00 52.30 N ATOM 1253 HD22 ASN C 52 34.391 -18.598 13.668 1.00 0.00 H ATOM 1254 HD21 ASN C 52 34.372 -17.688 12.113 1.00 0.00 H ATOM 1255 H ASN C 52 31.137 -20.805 13.221 1.00 0.00 H ATOM 1256 N ASP C 53 32.733 -23.876 13.677 1.00 45.49 N ATOM 1257 CA ASP C 53 33.201 -25.198 14.117 1.00 48.75 C ATOM 1258 C ASP C 53 32.310 -26.382 13.668 1.00 49.24 C ATOM 1259 O ASP C 53 32.472 -27.499 14.136 1.00 54.34 O ATOM 1260 CB ASP C 53 33.474 -25.230 15.644 1.00 48.27 C ATOM 1261 CG ASP C 53 32.377 -24.513 16.476 1.00 61.49 C ATOM 1262 OD1 ASP C 53 31.534 -23.796 15.885 1.00 59.66 O ATOM 1263 OD2 ASP C 53 32.360 -24.651 17.728 1.00 60.69 O ATOM 1264 H ASP C 53 32.027 -23.370 14.249 1.00 0.00 H ATOM 1265 N GLY C 54 31.382 -26.151 12.749 1.00 47.21 N ATOM 1266 CA GLY C 54 30.609 -27.246 12.197 1.00 43.13 C ATOM 1267 C GLY C 54 29.464 -27.697 13.083 1.00 46.06 C ATOM 1268 O GLY C 54 29.117 -28.887 13.125 1.00 44.76 O ATOM 1269 H GLY C 54 31.208 -25.179 12.423 1.00 0.00 H ATOM 1270 N ILE C 55 28.887 -26.741 13.802 1.00 40.90 N ATOM 1271 CA ILE C 55 27.690 -26.989 14.577 1.00 39.98 C ATOM 1272 C ILE C 55 26.522 -26.311 13.874 1.00 44.54 C ATOM 1273 O ILE C 55 26.617 -25.154 13.448 1.00 39.82 O ATOM 1274 CB ILE C 55 27.823 -26.495 16.038 1.00 46.10 C ATOM 1275 CG1 ILE C 55 28.822 -27.359 16.803 1.00 39.79 C ATOM 1276 CG2 ILE C 55 26.488 -26.575 16.749 1.00 47.19 C ATOM 1277 CD1 ILE C 55 28.411 -28.813 16.839 1.00 41.41 C ATOM 1278 H ILE C 55 29.306 -25.789 13.808 1.00 0.00 H ATOM 1279 N GLY C 56 25.427 -27.052 13.723 1.00 48.07 N ATOM 1280 CA GLY C 56 24.260 -26.531 13.048 1.00 48.95 C ATOM 1281 C GLY C 56 23.396 -25.739 14.003 1.00 45.81 C ATOM 1282 O GLY C 56 23.092 -26.186 15.101 1.00 44.73 O ATOM 1283 H GLY C 56 25.411 -28.022 14.097 1.00 0.00 H ATOM 1284 N ILE C 57 22.985 -24.556 13.577 1.00 47.34 N ATOM 1285 CA ILE C 57 22.192 -23.698 14.448 1.00 53.35 C ATOM 1286 C ILE C 57 20.676 -23.907 14.310 1.00 52.12 C ATOM 1287 O ILE C 57 20.084 -23.562 13.287 1.00 49.42 O ATOM 1288 CB ILE C 57 22.588 -22.231 14.228 1.00 49.41 C ATOM 1289 CG1 ILE C 57 23.972 -22.008 14.829 1.00 41.71 C ATOM 1290 CG2 ILE C 57 21.557 -21.264 14.831 1.00 47.54 C ATOM 1291 CD1 ILE C 57 24.558 -20.716 14.429 1.00 50.79 C ATOM 1292 H ILE C 57 23.229 -24.237 12.617 1.00 0.00 H ATOM 1293 N ASN C 58 20.057 -24.489 15.335 1.00 51.76 N ATOM 1294 CA ASN C 58 18.601 -24.554 15.379 1.00 56.01 C ATOM 1295 C ASN C 58 17.997 -23.155 15.364 1.00 57.54 C ATOM 1296 O ASN C 58 18.246 -22.366 16.282 1.00 58.86 O ATOM 1297 CB ASN C 58 18.114 -25.286 16.621 1.00 58.18 C ATOM 1298 CG ASN C 58 16.645 -25.611 16.541 1.00 59.28 C ATOM 1299 OD1 ASN C 58 15.964 -25.181 15.611 1.00 58.85 O ATOM 1300 ND2 ASN C 58 16.143 -26.369 17.507 1.00 59.53 N ATOM 1301 HD22 ASN C 58 16.758 -26.710 18.273 1.00 0.00 H ATOM 1302 HD21 ASN C 58 15.134 -26.623 17.498 1.00 0.00 H ATOM 1303 H ASN C 58 20.616 -24.900 16.110 1.00 0.00 H ATOM 1304 N PRO C 59 17.204 -22.842 14.322 1.00 56.39 N ATOM 1305 CA PRO C 59 16.662 -21.484 14.172 1.00 57.94 C ATOM 1306 C PRO C 59 15.487 -21.169 15.101 1.00 58.54 C ATOM 1307 O PRO C 59 15.176 -19.994 15.286 1.00 57.67 O ATOM 1308 CB PRO C 59 16.230 -21.428 12.694 1.00 59.52 C ATOM 1309 CG PRO C 59 16.025 -22.848 12.298 1.00 54.56 C ATOM 1310 CD PRO C 59 16.967 -23.674 13.124 1.00 58.12 C ATOM 1311 N ALA C 60 14.867 -22.190 15.689 1.00 57.98 N ATOM 1312 CA ALA C 60 13.790 -21.987 16.659 1.00 54.75 C ATOM 1313 C ALA C 60 14.363 -21.547 17.997 1.00 54.62 C ATOM 1314 O ALA C 60 14.062 -22.111 19.045 1.00 64.89 O ATOM 1315 CB ALA C 60 12.986 -23.254 16.820 1.00 54.71 C ATOM 1316 H ALA C 60 15.157 -23.160 15.452 1.00 0.00 H ATOM 1317 N GLN C 61 15.194 -20.523 17.944 1.00 55.93 N ATOM 1318 CA GLN C 61 15.987 -20.092 19.076 1.00 52.65 C ATOM 1319 C GLN C 61 16.085 -18.593 18.901 1.00 56.52 C ATOM 1320 O GLN C 61 15.939 -18.083 17.774 1.00 57.90 O ATOM 1321 CB GLN C 61 17.376 -20.706 18.966 1.00 55.20 C ATOM 1322 CG GLN C 61 17.976 -21.171 20.271 1.00 63.86 C ATOM 1323 CD GLN C 61 19.431 -21.611 20.114 1.00 65.13 C ATOM 1324 OE1 GLN C 61 20.212 -21.538 21.068 1.00 66.74 O ATOM 1325 NE2 GLN C 61 19.802 -22.062 18.907 1.00 55.72 N ATOM 1326 HE22 GLN C 61 19.109 -22.106 18.133 1.00 0.00 H ATOM 1327 HE21 GLN C 61 20.783 -22.368 18.745 1.00 0.00 H ATOM 1328 H GLN C 61 15.283 -20.002 17.048 1.00 0.00 H ATOM 1329 N THR C 62 16.318 -17.872 19.990 1.00 53.06 N ATOM 1330 CA THR C 62 16.453 -16.427 19.882 1.00 54.18 C ATOM 1331 C THR C 62 17.836 -16.111 19.326 1.00 49.80 C ATOM 1332 O THR C 62 18.786 -16.854 19.575 1.00 48.91 O ATOM 1333 CB THR C 62 16.259 -15.738 21.245 1.00 56.07 C ATOM 1334 OG1 THR C 62 17.336 -16.098 22.118 1.00 56.23 O ATOM 1335 CG2 THR C 62 14.941 -16.176 21.877 1.00 55.63 C ATOM 1336 HG1 THR C 62 18.194 -15.807 21.719 1.00 0.00 H ATOM 1337 H THR C 62 16.404 -18.337 20.916 1.00 0.00 H ATOM 1338 N ALA C 63 17.941 -15.017 18.575 1.00 47.46 N ATOM 1339 CA ALA C 63 19.233 -14.544 18.087 1.00 47.42 C ATOM 1340 C ALA C 63 20.129 -14.304 19.277 1.00 50.51 C ATOM 1341 O ALA C 63 21.322 -14.634 19.245 1.00 49.38 O ATOM 1342 CB ALA C 63 19.081 -13.266 17.290 1.00 47.12 C ATOM 1343 H ALA C 63 17.081 -14.486 18.330 1.00 0.00 H ATOM 1344 N GLY C 64 19.537 -13.730 20.324 1.00 50.27 N ATOM 1345 CA GLY C 64 20.213 -13.523 21.589 1.00 46.80 C ATOM 1346 C GLY C 64 20.840 -14.794 22.117 1.00 45.74 C ATOM 1347 O GLY C 64 22.006 -14.802 22.525 1.00 49.01 O ATOM 1348 H GLY C 64 18.549 -13.418 20.229 1.00 0.00 H ATOM 1349 N ASN C 65 20.089 -15.885 22.106 1.00 47.20 N ATOM 1350 CA ASN C 65 20.643 -17.124 22.640 1.00 52.77 C ATOM 1351 C ASN C 65 21.682 -17.700 21.704 1.00 46.87 C ATOM 1352 O ASN C 65 22.646 -18.313 22.145 1.00 48.57 O ATOM 1353 CB ASN C 65 19.558 -18.157 22.997 1.00 55.81 C ATOM 1354 CG ASN C 65 19.150 -18.085 24.472 1.00 65.32 C ATOM 1355 OD1 ASN C 65 20.009 -18.042 25.361 1.00 67.71 O ATOM 1356 ND2 ASN C 65 17.836 -18.047 24.736 1.00 59.74 N ATOM 1357 HD22 ASN C 65 17.148 -18.086 23.957 1.00 0.00 H ATOM 1358 HD21 ASN C 65 17.505 -17.979 25.720 1.00 0.00 H ATOM 1359 H ASN C 65 19.122 -15.859 21.724 1.00 0.00 H ATOM 1360 N VAL C 66 21.497 -17.488 20.409 1.00 45.12 N ATOM 1361 CA VAL C 66 22.469 -17.982 19.450 1.00 48.25 C ATOM 1362 C VAL C 66 23.804 -17.255 19.666 1.00 45.24 C ATOM 1363 O VAL C 66 24.865 -17.882 19.755 1.00 40.78 O ATOM 1364 CB VAL C 66 21.981 -17.811 17.997 1.00 42.83 C ATOM 1365 CG1 VAL C 66 23.143 -18.013 17.014 1.00 41.24 C ATOM 1366 CG2 VAL C 66 20.843 -18.764 17.704 1.00 39.31 C ATOM 1367 H VAL C 66 20.658 -16.969 20.080 1.00 0.00 H ATOM 1368 N PHE C 67 23.728 -15.933 19.769 1.00 42.85 N ATOM 1369 CA PHE C 67 24.887 -15.106 20.061 1.00 44.79 C ATOM 1370 C PHE C 67 25.569 -15.558 21.350 1.00 44.23 C ATOM 1371 O PHE C 67 26.785 -15.686 21.404 1.00 46.82 O ATOM 1372 CB PHE C 67 24.477 -13.629 20.156 1.00 46.45 C ATOM 1373 CG PHE C 67 25.625 -12.701 20.404 1.00 43.84 C ATOM 1374 CD1 PHE C 67 26.367 -12.204 19.351 1.00 44.77 C ATOM 1375 CD2 PHE C 67 25.973 -12.331 21.697 1.00 42.70 C ATOM 1376 CE1 PHE C 67 27.451 -11.347 19.583 1.00 46.75 C ATOM 1377 CE2 PHE C 67 27.048 -11.478 21.940 1.00 40.33 C ATOM 1378 CZ PHE C 67 27.785 -10.981 20.884 1.00 46.15 C ATOM 1379 H PHE C 67 22.805 -15.473 19.636 1.00 0.00 H ATOM 1380 N LEU C 68 24.787 -15.814 22.387 1.00 46.88 N ATOM 1381 CA LEU C 68 25.359 -16.193 23.675 1.00 44.80 C ATOM 1382 C LEU C 68 26.120 -17.501 23.618 1.00 47.16 C ATOM 1383 O LEU C 68 27.134 -17.658 24.294 1.00 55.28 O ATOM 1384 CB LEU C 68 24.273 -16.290 24.730 1.00 46.26 C ATOM 1385 CG LEU C 68 24.523 -15.488 26.000 1.00 48.85 C ATOM 1386 CD1 LEU C 68 24.803 -14.034 25.674 1.00 46.00 C ATOM 1387 CD2 LEU C 68 23.298 -15.582 26.879 1.00 53.29 C ATOM 1388 H LEU C 68 23.755 -15.744 22.283 1.00 0.00 H ATOM 1389 N LYS C 69 25.638 -18.440 22.810 1.00 48.32 N ATOM 1390 CA LYS C 69 26.243 -19.770 22.741 1.00 46.07 C ATOM 1391 C LYS C 69 27.322 -19.929 21.663 1.00 48.01 C ATOM 1392 O LYS C 69 28.237 -20.726 21.828 1.00 46.22 O ATOM 1393 CB LYS C 69 25.166 -20.823 22.506 1.00 49.14 C ATOM 1394 CG LYS C 69 23.999 -20.770 23.494 1.00 55.90 C ATOM 1395 CD LYS C 69 23.074 -21.972 23.311 1.00 62.60 C ATOM 1396 CE LYS C 69 23.066 -22.424 21.854 1.00 58.52 C ATOM 1397 NZ LYS C 69 21.970 -23.379 21.527 1.00 61.71 N ATOM 1398 HZ1 LYS C 69 22.068 -24.231 22.115 1.00 0.00 H ATOM 1399 HZ2 LYS C 69 21.052 -22.929 21.716 1.00 0.00 H ATOM 1400 HZ3 LYS C 69 22.028 -23.641 20.522 1.00 0.00 H ATOM 1401 H LYS C 69 24.813 -18.224 22.214 1.00 0.00 H ATOM 1402 N HIS C 70 27.221 -19.193 20.558 1.00 45.40 N ATOM 1403 CA HIS C 70 28.097 -19.467 19.416 1.00 48.95 C ATOM 1404 C HIS C 70 28.895 -18.257 18.921 1.00 48.41 C ATOM 1405 O HIS C 70 29.810 -18.394 18.097 1.00 48.61 O ATOM 1406 CB HIS C 70 27.294 -20.087 18.260 1.00 44.23 C ATOM 1407 CG HIS C 70 26.557 -21.328 18.644 1.00 43.21 C ATOM 1408 ND1 HIS C 70 27.195 -22.446 19.143 1.00 48.83 N ATOM 1409 CD2 HIS C 70 25.235 -21.625 18.621 1.00 45.08 C ATOM 1410 CE1 HIS C 70 26.295 -23.379 19.408 1.00 50.84 C ATOM 1411 NE2 HIS C 70 25.099 -22.908 19.096 1.00 49.53 N ATOM 1412 H HIS C 70 26.522 -18.425 20.506 1.00 0.00 H ATOM 1413 N GLY C 71 28.539 -17.077 19.414 1.00 46.54 N ATOM 1414 CA GLY C 71 29.198 -15.854 18.997 1.00 44.12 C ATOM 1415 C GLY C 71 28.671 -15.311 17.684 1.00 41.82 C ATOM 1416 O GLY C 71 27.597 -15.692 17.234 1.00 43.94 O ATOM 1417 H GLY C 71 27.771 -17.028 20.114 1.00 0.00 H ATOM 1418 N SER C 72 29.444 -14.435 17.054 1.00 41.06 N ATOM 1419 CA SER C 72 28.972 -13.723 15.880 1.00 41.67 C ATOM 1420 C SER C 72 29.333 -14.356 14.537 1.00 38.36 C ATOM 1421 O SER C 72 28.784 -13.954 13.517 1.00 35.73 O ATOM 1422 CB SER C 72 29.484 -12.285 15.901 1.00 39.73 C ATOM 1423 OG SER C 72 30.884 -12.252 16.117 1.00 44.02 O ATOM 1424 HG SER C 72 31.193 -11.312 16.127 1.00 0.00 H ATOM 1425 H SER C 72 30.405 -14.255 17.408 1.00 0.00 H ATOM 1426 N GLU C 73 30.241 -15.330 14.530 1.00 41.02 N ATOM 1427 CA GLU C 73 30.793 -15.835 13.259 1.00 42.42 C ATOM 1428 C GLU C 73 30.096 -17.061 12.700 1.00 38.36 C ATOM 1429 O GLU C 73 30.302 -18.171 13.166 1.00 48.38 O ATOM 1430 CB GLU C 73 32.312 -16.032 13.343 1.00 45.12 C ATOM 1431 CG GLU C 73 33.071 -14.957 12.560 1.00 47.85 C ATOM 1432 CD GLU C 73 34.153 -14.260 13.365 1.00 58.58 C ATOM 1433 OE1 GLU C 73 34.839 -14.962 14.157 1.00 57.62 O ATOM 1434 OE2 GLU C 73 34.320 -13.013 13.186 1.00 59.23 O ATOM 1435 H GLU C 73 30.564 -15.739 15.430 1.00 0.00 H ATOM 1436 N LEU C 74 29.249 -16.844 11.699 1.00 40.85 N ATOM 1437 CA LEU C 74 28.396 -17.902 11.179 1.00 39.00 C ATOM 1438 C LEU C 74 28.551 -18.039 9.679 1.00 36.98 C ATOM 1439 O LEU C 74 28.917 -17.083 8.981 1.00 33.40 O ATOM 1440 CB LEU C 74 26.930 -17.622 11.507 1.00 36.32 C ATOM 1441 CG LEU C 74 26.587 -17.273 12.953 1.00 39.11 C ATOM 1442 CD1 LEU C 74 25.089 -17.039 13.125 1.00 39.15 C ATOM 1443 CD2 LEU C 74 27.081 -18.372 13.877 1.00 44.60 C ATOM 1444 H LEU C 74 29.195 -15.895 11.277 1.00 0.00 H ATOM 1445 N ARG C 75 28.244 -19.232 9.183 1.00 38.67 N ATOM 1446 CA ARG C 75 28.351 -19.516 7.758 1.00 39.83 C ATOM 1447 C ARG C 75 26.970 -19.851 7.225 1.00 36.39 C ATOM 1448 O ARG C 75 26.204 -20.545 7.888 1.00 40.56 O ATOM 1449 CB ARG C 75 29.304 -20.695 7.540 1.00 37.65 C ATOM 1450 CG ARG C 75 30.664 -20.516 8.204 1.00 41.95 C ATOM 1451 CD ARG C 75 31.643 -21.629 7.839 1.00 49.43 C ATOM 1452 NE ARG C 75 32.995 -21.371 8.334 1.00 50.37 N ATOM 1453 CZ ARG C 75 34.012 -22.217 8.199 1.00 50.78 C ATOM 1454 NH1 ARG C 75 33.840 -23.382 7.588 1.00 53.41 N ATOM 1455 NH2 ARG C 75 35.202 -21.907 8.684 1.00 51.98 N ATOM 1456 HE ARG C 75 33.172 -20.470 8.822 1.00 0.00 H ATOM 1457 HH12 ARG C 75 34.640 -24.039 7.486 1.00 0.00 H ATOM 1458 HH11 ARG C 75 32.905 -23.638 7.211 1.00 0.00 H ATOM 1459 HH22 ARG C 75 35.996 -22.570 8.577 1.00 0.00 H ATOM 1460 HH21 ARG C 75 35.344 -21.000 9.172 1.00 0.00 H ATOM 1461 H ARG C 75 27.919 -19.981 9.827 1.00 0.00 H ATOM 1462 N ILE C 76 26.622 -19.339 6.055 1.00 36.58 N ATOM 1463 CA ILE C 76 25.375 -19.765 5.423 1.00 37.69 C ATOM 1464 C ILE C 76 25.661 -20.846 4.369 1.00 40.00 C ATOM 1465 O ILE C 76 26.506 -20.686 3.493 1.00 39.28 O ATOM 1466 CB ILE C 76 24.543 -18.584 4.855 1.00 34.64 C ATOM 1467 CG1 ILE C 76 23.195 -19.068 4.297 1.00 40.45 C ATOM 1468 CG2 ILE C 76 25.329 -17.825 3.823 1.00 33.64 C ATOM 1469 CD1 ILE C 76 22.143 -17.943 4.114 1.00 37.62 C ATOM 1470 H ILE C 76 27.232 -18.638 5.588 1.00 0.00 H ATOM 1471 N ILE C 77 24.951 -21.959 4.489 1.00 36.67 N ATOM 1472 CA ILE C 77 25.202 -23.126 3.677 1.00 39.26 C ATOM 1473 C ILE C 77 24.012 -23.355 2.745 1.00 40.44 C ATOM 1474 O ILE C 77 22.955 -23.830 3.172 1.00 43.63 O ATOM 1475 CB ILE C 77 25.417 -24.374 4.585 1.00 37.30 C ATOM 1476 CG1 ILE C 77 26.516 -24.106 5.637 1.00 32.23 C ATOM 1477 CG2 ILE C 77 25.702 -25.608 3.748 1.00 33.85 C ATOM 1478 CD1 ILE C 77 27.855 -23.649 5.060 1.00 28.33 C ATOM 1479 H ILE C 77 24.186 -21.993 5.193 1.00 0.00 H ATOM 1480 N PRO C 78 24.174 -22.989 1.475 1.00 38.99 N ATOM 1481 CA PRO C 78 23.160 -23.174 0.420 1.00 40.86 C ATOM 1482 C PRO C 78 23.084 -24.622 -0.063 1.00 42.55 C ATOM 1483 O PRO C 78 24.121 -25.265 -0.230 1.00 42.99 O ATOM 1484 CB PRO C 78 23.668 -22.277 -0.719 1.00 35.11 C ATOM 1485 CG PRO C 78 25.160 -22.164 -0.487 1.00 36.06 C ATOM 1486 CD PRO C 78 25.370 -22.260 1.004 1.00 39.20 C ATOM 1487 N ARG C 79 21.876 -25.135 -0.283 1.00 47.53 N ATOM 1488 CA ARG C 79 21.729 -26.508 -0.753 1.00 47.49 C ATOM 1489 C ARG C 79 22.214 -26.691 -2.181 1.00 50.99 C ATOM 1490 O ARG C 79 22.498 -25.728 -2.892 1.00 45.85 O ATOM 1491 CB ARG C 79 20.295 -26.995 -0.641 1.00 49.13 C ATOM 1492 CG ARG C 79 20.161 -28.219 0.245 1.00 60.71 C ATOM 1493 CD ARG C 79 19.564 -29.381 -0.513 1.00 58.96 C ATOM 1494 NE ARG C 79 18.236 -29.756 -0.032 1.00 65.07 N ATOM 1495 CZ ARG C 79 17.107 -29.403 -0.640 1.00 63.01 C ATOM 1496 NH1 ARG C 79 17.162 -28.672 -1.744 1.00 63.52 N ATOM 1497 NH2 ARG C 79 15.929 -29.776 -0.151 1.00 60.81 N ATOM 1498 HE ARG C 79 18.170 -30.330 0.833 1.00 0.00 H ATOM 1499 HH12 ARG C 79 16.284 -28.391 -2.226 1.00 0.00 H ATOM 1500 HH11 ARG C 79 18.083 -28.379 -2.128 1.00 0.00 H ATOM 1501 HH22 ARG C 79 15.052 -29.494 -0.635 1.00 0.00 H ATOM 1502 HH21 ARG C 79 15.884 -30.350 0.715 1.00 0.00 H ATOM 1503 H ARG C 79 21.030 -24.553 -0.119 1.00 0.00 H ATOM 1504 N ASP C 80 22.298 -27.957 -2.571 1.00 57.87 N ATOM 1505 CA ASP C 80 22.865 -28.397 -3.837 1.00 54.36 C ATOM 1506 C ASP C 80 22.301 -27.669 -5.068 1.00 59.27 C ATOM 1507 O ASP C 80 21.419 -28.172 -5.766 1.00 58.03 O ATOM 1508 CB ASP C 80 22.669 -29.913 -3.957 1.00 48.03 C ATOM 1509 CG ASP C 80 23.945 -30.623 -4.305 1.00 56.74 C ATOM 1510 OD1 ASP C 80 24.810 -29.972 -4.947 1.00 62.12 O ATOM 1511 OD2 ASP C 80 24.088 -31.813 -3.941 1.00 55.35 O ATOM 1512 H ASP C 80 21.933 -28.686 -1.926 1.00 0.00 H TER 1513 ASP C 80 HETATM 1514 O HOH 1 33.803 13.656 -5.396 1.00 44.25 O HETATM 1515 O HOH 2 41.024 12.891 3.993 1.00 45.77 O HETATM 1516 O HOH 3 45.781 4.694 -11.360 1.00 37.00 O HETATM 1517 O HOH 4 45.721 9.378 6.044 1.00 54.85 O HETATM 1518 O HOH 5 28.692 -2.143 -11.475 1.00 45.21 O HETATM 1519 O HOH 6 27.178 13.042 -13.041 1.00 41.81 O HETATM 1520 O HOH 7 33.498 14.882 2.821 1.00 49.29 O HETATM 1521 O HOH 8 33.954 0.000 10.338 1.00 44.51 O HETATM 1522 O HOH 9 38.623 -5.584 4.282 1.00 47.20 O HETATM 1523 O HOH 10 38.543 9.554 12.291 1.00 50.18 O HETATM 1524 O HOH 11 24.908 -5.484 4.210 1.00 40.45 O HETATM 1525 O HOH 12 46.283 9.024 -21.108 1.00 57.62 O HETATM 1526 O HOH 13 33.658 -7.161 -5.660 1.00 45.11 O HETATM 1527 O HOH 14 36.437 -11.244 7.431 1.00 49.92 O HETATM 1528 O HOH 15 34.408 -14.291 6.624 1.00 43.86 O HETATM 1529 O HOH 16 29.215 -6.939 4.092 1.00 38.25 O HETATM 1530 O HOH 17 31.596 -16.816 16.576 1.00 43.51 O HETATM 1531 O HOH 18 33.587 -17.950 8.469 1.00 55.73 O HETATM 1532 O HOH 19 30.087 -22.886 18.871 1.00 44.27 O HETATM 1533 O HOH 20 36.861 -11.001 -1.555 1.00 53.80 O HETATM 1534 O HOH 21 24.528 -9.153 -2.510 1.00 60.29 O HETATM 1535 O HOH 22 14.721 -1.838 13.805 1.00 53.19 O HETATM 1536 O HOH 23 37.333 -24.281 6.980 1.00 40.47 O HETATM 1537 O HOH 24 19.781 -30.033 3.464 1.00 39.19 O HETATM 1538 O HOH 25 37.147 -10.221 2.538 1.00 52.69 O HETATM 1539 N ASP A 26 29.372 -9.284 -10.542 1.00 0.24 N HETATM 1540 CA ASP A 26 28.459 -10.083 -9.732 1.00 0.08 C HETATM 1541 C ASP A 26 27.758 -9.209 -8.691 1.00 0.23 C HETATM 1542 O ASP A 26 26.561 -9.398 -8.411 1.00 -0.39 O HETATM 1543 N ASP A 26 28.505 -8.250 -8.135 1.00 -0.26 N HETATM 1544 CA ASP A 26 28.050 -7.437 -6.989 1.00 0.15 C HETATM 1545 C ASP A 26 27.589 -8.218 -5.738 1.00 0.21 C HETATM 1546 O ASP A 26 26.500 -7.984 -5.182 1.00 -0.39 O HETATM 1547 N ASP A 26 28.449 -9.118 -5.289 1.00 -0.26 N HETATM 1548 CA ASP A 26 28.164 -9.949 -4.142 1.00 0.13 C HETATM 1549 C ASP A 26 28.351 -9.221 -2.803 1.00 0.20 C HETATM 1550 O ASP A 26 28.156 -9.820 -1.741 1.00 -0.39 O HETATM 1551 N ASP A 26 28.724 -7.940 -2.846 1.00 -0.26 N HETATM 1552 CA ASP A 26 28.860 -7.138 -1.623 1.00 0.14 C HETATM 1553 C ASP A 26 27.736 -6.121 -1.475 1.00 0.20 C HETATM 1554 O ASP A 26 27.763 -5.286 -0.575 1.00 -0.39 O HETATM 1555 N ASP A 26 26.752 -6.180 -2.362 1.00 -0.27 N HETATM 1556 CA ASP A 26 25.554 -5.385 -2.175 1.00 0.12 C HETATM 1557 C ASP A 26 25.677 -3.874 -2.322 1.00 0.20 C HETATM 1558 O ASP A 26 24.882 -3.125 -1.742 1.00 -0.39 O HETATM 1559 N ASP A 26 26.653 -3.420 -3.103 1.00 -0.26 N HETATM 1560 CA ASP A 26 26.810 -2.000 -3.389 1.00 0.13 C HETATM 1561 C ASP A 26 25.640 -1.488 -4.217 1.00 0.20 C HETATM 1562 O ASP A 26 25.236 -2.142 -5.159 1.00 -0.39 O HETATM 1563 N ASP A 26 25.104 -0.320 -3.869 1.00 -0.26 N HETATM 1564 CA ASP A 26 23.988 0.282 -4.602 1.00 0.13 C HETATM 1565 C ASP A 26 24.401 1.596 -5.270 1.00 0.20 C HETATM 1566 O ASP A 26 25.111 2.420 -4.663 1.00 -0.39 O HETATM 1567 N ASP A 26 23.942 1.808 -6.504 1.00 -0.26 N HETATM 1568 CA ASP A 26 24.201 3.064 -7.208 1.00 0.13 C HETATM 1569 C ASP A 26 23.081 4.034 -6.872 1.00 0.20 C HETATM 1570 O ASP A 26 21.938 3.616 -6.741 1.00 -0.39 O HETATM 1571 N ASP A 26 23.404 5.310 -6.688 1.00 -0.27 N HETATM 1572 CA ASP A 26 22.370 6.335 -6.488 1.00 0.10 C HETATM 1573 C ASP A 26 22.600 7.584 -7.338 1.00 0.06 C HETATM 1574 O ASP A 26 21.681 8.061 -8.003 1.00 -0.57 O HETATM 1575 OXT ASP A 26 23.706 8.123 -7.364 1.00 -0.57 O HETATM 1576 CB ASP A 26 22.165 6.722 -4.989 1.00 -0.01 C HETATM 1577 CG1 ASP A 26 23.404 6.449 -4.157 1.00 -0.06 C HETATM 1578 H63 ASP A 26 23.214 6.736 -3.112 1.00 0.02 H HETATM 1579 H64 ASP A 26 24.247 7.036 -4.551 1.00 0.02 H HETATM 1580 H65 ASP A 26 23.649 5.378 -4.205 1.00 0.02 H HETATM 1581 CG2 ASP A 26 21.726 8.184 -4.848 1.00 -0.06 C HETATM 1582 H66 ASP A 26 20.828 8.358 -5.459 1.00 0.02 H HETATM 1583 H67 ASP A 26 22.536 8.845 -5.191 1.00 0.02 H HETATM 1584 H68 ASP A 26 21.499 8.399 -3.793 1.00 0.02 H HETATM 1585 H62 ASP A 26 21.355 6.091 -4.594 1.00 0.03 H HETATM 1586 H61 ASP A 26 21.425 5.888 -6.830 1.00 0.07 H HETATM 1587 H60 ASP A 26 24.368 5.577 -6.686 1.00 0.19 H HETATM 1588 CB ASP A 26 24.279 2.809 -8.714 1.00 -0.01 C HETATM 1589 CG ASP A 26 24.666 3.872 -9.746 1.00 -0.04 C HETATM 1590 CD1 ASP A 26 23.448 4.647 -10.236 1.00 -0.06 C HETATM 1591 H54 ASP A 26 23.764 5.399 -10.974 1.00 0.02 H HETATM 1592 H55 ASP A 26 22.966 5.149 -9.384 1.00 0.02 H HETATM 1593 H56 ASP A 26 22.735 3.952 -10.704 1.00 0.02 H HETATM 1594 CD2 ASP A 26 25.738 4.813 -9.208 1.00 -0.06 C HETATM 1595 H57 ASP A 26 26.602 4.226 -8.863 1.00 0.02 H HETATM 1596 H58 ASP A 26 25.329 5.392 -8.367 1.00 0.02 H HETATM 1597 H59 ASP A 26 26.057 5.500 -10.006 1.00 0.02 H HETATM 1598 H53 ASP A 26 25.093 3.347 -10.613 1.00 0.03 H HETATM 1599 H51 ASP A 26 23.279 2.458 -9.009 1.00 0.03 H HETATM 1600 H52 ASP A 26 25.006 1.993 -8.841 1.00 0.03 H HETATM 1601 H50 ASP A 26 25.159 3.485 -6.868 1.00 0.08 H HETATM 1602 H49 ASP A 26 23.410 1.093 -6.958 1.00 0.19 H HETATM 1603 CB ASP A 26 22.810 0.568 -3.658 1.00 -0.00 C HETATM 1604 CG ASP A 26 22.100 -0.657 -3.077 1.00 0.00 C HETATM 1605 CD ASP A 26 21.001 -0.281 -2.072 1.00 0.04 C HETATM 1606 OE1 ASP A 26 20.461 -1.202 -1.414 1.00 -0.57 O HETATM 1607 OE2 ASP A 26 20.678 0.931 -1.935 1.00 -0.57 O HETATM 1608 H47 ASP A 26 22.844 -1.286 -2.567 1.00 0.04 H HETATM 1609 H48 ASP A 26 21.644 -1.224 -3.902 1.00 0.04 H HETATM 1610 H45 ASP A 26 22.066 1.154 -4.217 1.00 0.03 H HETATM 1611 H46 ASP A 26 23.191 1.166 -2.817 1.00 0.03 H HETATM 1612 H44 ASP A 26 23.661 -0.425 -5.379 1.00 0.08 H HETATM 1613 H43 ASP A 26 25.477 0.164 -3.078 1.00 0.19 H HETATM 1614 CB ASP A 26 28.134 -1.744 -4.139 1.00 -0.00 C HETATM 1615 CG1 ASP A 26 29.306 -1.973 -3.185 1.00 -0.05 C HETATM 1616 CD1 ASP A 26 30.674 -1.799 -3.813 1.00 -0.06 C HETATM 1617 H40 ASP A 26 31.451 -1.982 -3.056 1.00 0.02 H HETATM 1618 H41 ASP A 26 30.773 -0.774 -4.199 1.00 0.02 H HETATM 1619 H42 ASP A 26 30.792 -2.515 -4.640 1.00 0.02 H HETATM 1620 H35 ASP A 26 29.236 -2.999 -2.795 1.00 0.03 H HETATM 1621 H36 ASP A 26 29.217 -1.258 -2.354 1.00 0.03 H HETATM 1622 CG2 ASP A 26 28.170 -0.325 -4.750 1.00 -0.06 C HETATM 1623 H37 ASP A 26 27.314 -0.196 -5.429 1.00 0.02 H HETATM 1624 H38 ASP A 26 29.107 -0.191 -5.311 1.00 0.02 H HETATM 1625 H39 ASP A 26 28.114 0.422 -3.945 1.00 0.02 H HETATM 1626 H34 ASP A 26 28.212 -2.469 -4.963 1.00 0.03 H HETATM 1627 H33 ASP A 26 26.833 -1.452 -2.436 1.00 0.08 H HETATM 1628 H32 ASP A 26 27.297 -4.071 -3.505 1.00 0.19 H HETATM 1629 H30 ASP A 26 25.181 -5.587 -1.160 1.00 0.08 H HETATM 1630 H31 ASP A 26 24.814 -5.728 -2.913 1.00 0.08 H HETATM 1631 H29 ASP A 26 26.836 -6.774 -3.162 1.00 0.19 H HETATM 1632 CB ASP A 26 30.220 -6.427 -1.529 1.00 0.00 C HETATM 1633 CG ASP A 26 31.376 -7.360 -1.512 1.00 -0.04 C HETATM 1634 CD1 ASP A 26 32.125 -7.751 -2.583 1.00 0.02 C HETATM 1635 NE1 ASP A 26 33.102 -8.629 -2.180 1.00 -0.29 N HETATM 1636 CE2 ASP A 26 33.001 -8.817 -0.825 1.00 0.06 C HETATM 1637 CD2 ASP A 26 31.925 -8.032 -0.371 1.00 -0.02 C HETATM 1638 CE3 ASP A 26 31.614 -8.043 0.994 1.00 -0.07 C HETATM 1639 CZ3 ASP A 26 32.378 -8.836 1.849 1.00 -0.08 C HETATM 1640 CH2 ASP A 26 33.440 -9.605 1.364 1.00 -0.08 C HETATM 1641 CZ2 ASP A 26 33.770 -9.608 0.037 1.00 -0.04 C HETATM 1642 H26 ASP A 26 34.597 -10.202 -0.334 1.00 0.05 H HETATM 1643 H28 ASP A 26 34.014 -10.212 2.055 1.00 0.05 H HETATM 1644 H27 ASP A 26 32.145 -8.857 2.907 1.00 0.05 H HETATM 1645 H25 ASP A 26 30.795 -7.446 1.379 1.00 0.05 H HETATM 1646 H24 ASP A 26 33.798 -9.074 -2.796 1.00 0.22 H HETATM 1647 H23 ASP A 26 31.971 -7.416 -3.608 1.00 0.08 H HETATM 1648 H21 ASP A 26 30.239 -5.832 -0.604 1.00 0.04 H HETATM 1649 H22 ASP A 26 30.325 -5.759 -2.397 1.00 0.04 H HETATM 1650 H20 ASP A 26 28.792 -7.833 -0.773 1.00 0.08 H HETATM 1651 H19 ASP A 26 28.915 -7.516 -3.732 1.00 0.19 H HETATM 1652 CB ASP A 26 29.025 -11.220 -4.207 1.00 -0.00 C HETATM 1653 CG ASP A 26 30.518 -11.019 -3.969 1.00 0.00 C HETATM 1654 CD ASP A 26 31.272 -10.316 -5.111 1.00 0.04 C HETATM 1655 OE1 ASP A 26 30.637 -9.635 -5.945 1.00 -0.57 O HETATM 1656 OE2 ASP A 26 32.522 -10.441 -5.166 1.00 -0.57 O HETATM 1657 H17 ASP A 26 30.975 -12.008 -3.817 1.00 0.04 H HETATM 1658 H18 ASP A 26 30.640 -10.415 -3.058 1.00 0.04 H HETATM 1659 H15 ASP A 26 28.898 -11.664 -5.206 1.00 0.03 H HETATM 1660 H16 ASP A 26 28.652 -11.920 -3.445 1.00 0.03 H HETATM 1661 H14 ASP A 26 27.108 -10.250 -4.204 1.00 0.08 H HETATM 1662 H13 ASP A 26 29.325 -9.226 -5.759 1.00 0.19 H HETATM 1663 CB ASP A 26 26.999 -6.398 -7.387 1.00 0.08 C HETATM 1664 CG ASP A 26 26.849 -5.299 -6.337 1.00 0.18 C HETATM 1665 OD1 ASP A 26 27.692 -5.156 -5.440 1.00 -0.40 O HETATM 1666 ND2 ASP A 26 25.779 -4.517 -6.448 1.00 -0.30 N HETATM 1667 H11 ASP A 26 25.628 -3.780 -5.789 1.00 0.18 H HETATM 1668 H12 ASP A 26 25.126 -4.666 -7.190 1.00 0.18 H HETATM 1669 H9 ASP A 26 26.030 -6.904 -7.512 1.00 0.06 H HETATM 1670 H10 ASP A 26 27.298 -5.939 -8.341 1.00 0.06 H HETATM 1671 H8 ASP A 26 28.937 -6.870 -6.671 1.00 0.08 H HETATM 1672 H7 ASP A 26 29.414 -8.075 -8.513 1.00 0.19 H HETATM 1673 CB ASP A 26 29.217 -11.234 -9.046 1.00 0.06 C HETATM 1674 CG ASP A 26 28.280 -12.314 -8.468 1.00 0.04 C HETATM 1675 OD1 ASP A 26 27.251 -11.968 -7.828 1.00 -0.57 O HETATM 1676 OD2 ASP A 26 28.582 -13.521 -8.649 1.00 -0.57 O HETATM 1677 H5 ASP A 26 29.819 -10.817 -8.225 1.00 0.05 H HETATM 1678 H6 ASP A 26 29.881 -11.706 -9.785 1.00 0.05 H HETATM 1679 H4 ASP A 26 27.695 -10.515 -10.394 1.00 0.11 H HETATM 1680 H1 ASP A 26 29.824 -9.876 -11.221 1.00 0.20 H HETATM 1681 H2 ASP A 26 30.068 -8.863 -9.947 1.00 0.20 H HETATM 1682 H3 ASP A 26 28.855 -8.561 -11.017 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 784 785 791 792 793 CONECT 791 784 CONECT 792 784 CONECT 793 784 CONECT 1539 1540 1680 1681 1682 CONECT 1540 1539 1541 1673 1679 CONECT 1541 1540 1542 1543 CONECT 1542 1541 CONECT 1543 1541 1544 1672 CONECT 1544 1543 1545 1663 1671 CONECT 1545 1544 1546 1547 CONECT 1546 1545 CONECT 1547 1545 1548 1662 CONECT 1548 1547 1549 1652 1661 CONECT 1549 1548 1550 1551 CONECT 1550 1549 CONECT 1551 1549 1552 1651 CONECT 1552 1551 1553 1632 1650 CONECT 1553 1552 1554 1555 CONECT 1554 1553 CONECT 1555 1553 1556 1631 CONECT 1556 1555 1557 1629 1630 CONECT 1557 1556 1558 1559 CONECT 1558 1557 CONECT 1559 1557 1560 1628 CONECT 1560 1559 1561 1614 1627 CONECT 1561 1560 1562 1563 CONECT 1562 1561 CONECT 1563 1561 1564 1613 CONECT 1564 1563 1565 1603 1612 CONECT 1565 1564 1566 1567 CONECT 1566 1565 CONECT 1567 1565 1568 1602 CONECT 1568 1567 1569 1588 1601 CONECT 1569 1568 1570 1571 CONECT 1570 1569 CONECT 1571 1569 1572 1587 CONECT 1572 1571 1573 1576 1586 CONECT 1573 1572 1574 1575 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1572 1577 1581 1585 CONECT 1577 1576 1578 1579 1580 CONECT 1578 1577 CONECT 1579 1577 CONECT 1580 1577 CONECT 1581 1576 1582 1583 1584 CONECT 1582 1581 CONECT 1583 1581 CONECT 1584 1581 CONECT 1585 1576 CONECT 1586 1572 CONECT 1587 1571 CONECT 1588 1568 1589 1599 1600 CONECT 1589 1588 1590 1594 1598 CONECT 1590 1589 1591 1592 1593 CONECT 1591 1590 CONECT 1592 1590 CONECT 1593 1590 CONECT 1594 1589 1595 1596 1597 CONECT 1595 1594 CONECT 1596 1594 CONECT 1597 1594 CONECT 1598 1589 CONECT 1599 1588 CONECT 1600 1588 CONECT 1601 1568 CONECT 1602 1567 CONECT 1603 1564 1604 1610 1611 CONECT 1604 1603 1605 1608 1609 CONECT 1605 1604 1606 1607 CONECT 1606 1605 CONECT 1607 1605 CONECT 1608 1604 CONECT 1609 1604 CONECT 1610 1603 CONECT 1611 1603 CONECT 1612 1564 CONECT 1613 1563 CONECT 1614 1560 1615 1622 1626 CONECT 1615 1614 1616 1620 1621 CONECT 1616 1615 1617 1618 1619 CONECT 1617 1616 CONECT 1618 1616 CONECT 1619 1616 CONECT 1620 1615 CONECT 1621 1615 CONECT 1622 1614 1623 1624 1625 CONECT 1623 1622 CONECT 1624 1622 CONECT 1625 1622 CONECT 1626 1614 CONECT 1627 1560 CONECT 1628 1559 CONECT 1629 1556 CONECT 1630 1556 CONECT 1631 1555 CONECT 1632 1552 1633 1648 1649 CONECT 1633 1632 1634 1637 CONECT 1634 1633 1635 1647 CONECT 1635 1634 1636 1646 CONECT 1636 1635 1637 1641 CONECT 1637 1633 1636 1638 CONECT 1638 1637 1639 1645 CONECT 1639 1638 1640 1644 CONECT 1640 1639 1641 1643 CONECT 1641 1636 1640 1642 CONECT 1642 1641 CONECT 1643 1640 CONECT 1644 1639 CONECT 1645 1638 CONECT 1646 1635 CONECT 1647 1634 CONECT 1648 1632 CONECT 1649 1632 CONECT 1650 1552 CONECT 1651 1551 CONECT 1652 1548 1653 1659 1660 CONECT 1653 1652 1654 1657 1658 CONECT 1654 1653 1655 1656 CONECT 1655 1654 CONECT 1656 1654 CONECT 1657 1653 CONECT 1658 1653 CONECT 1659 1652 CONECT 1660 1652 CONECT 1661 1548 CONECT 1662 1547 CONECT 1663 1544 1664 1669 1670 CONECT 1664 1663 1665 1666 CONECT 1665 1664 CONECT 1666 1664 1667 1668 CONECT 1667 1666 CONECT 1668 1666 CONECT 1669 1663 CONECT 1670 1663 CONECT 1671 1544 CONECT 1672 1543 CONECT 1673 1540 1674 1677 1678 CONECT 1674 1673 1675 1676 CONECT 1675 1674 CONECT 1676 1674 CONECT 1677 1673 CONECT 1678 1673 CONECT 1679 1540 CONECT 1680 1539 CONECT 1681 1539 CONECT 1682 1539 MASTER 0 0 0 0 0 0 0 0 1680 2 152 14 END
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Related entries of code: 5hkh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6h77
RCSB PDB
PDBbind
78aa, >6H77_2|Chains... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
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PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
5hkh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ubiquitin-fold modifier 1, Ufm1
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
2.55(Å)
Affinity (Kd/Ki/IC50)
Kd=8.1uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 9025-9041
Ligand Properties
Formula
C
4
8
H
7
2
N
1
1
O
1
7
Molecular Weight
1075.150
Exact Mass
1074.510
No. of atoms
148
No. of bonds
149
Polar Surface Area
468.52
LOGP Value
1.70 (
Computed with XLOGP3
)
0.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 38
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 2
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CC(C)C)CCC(=O)O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CC(=O)N)CCC(=O)O)C
InChI String
InChI=1S/C48H71N11O17/c1-7-24(6)40(47(74)54-30(13-15-37(64)65)44(71)56-31(16-22(2)3)46(73)59-39(23(4)5)48(75)76)58-35(61)21-52-42(69)32(17-25-20-51-28-11-9-8-10-26(25)28)57-43(70)29(12-14-36(62)63)53-45(72)33(19-34(50)60)55-41(68)27(49)18-38(66)67/h8-11,20,22-24,27,29-33,39-40,51H,7,12-19,21,49H2,1-6H3,(H2,50,60)(H,52,69)(H,53,72)(H,54,74)(H,55,68)(H,56,71)(H,57,70)(H,58,61)(H,59,73)(H,62,63)(H,64,65)(H,66,67)(H,75,76)/p+1/t24-,27-,29-,30-,31-,32-,33-,39-,40-/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):
P61960
Q9GZZ9
Entrez Gene ID
NCBI Entrez Gene ID:
51569
79876
ASD
Information of known allosteric effects of PDB entries
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