Browse entries in the PDBbind-CN Database
HEADER 6R13_COMPLEX COMPND 6R13_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 108 ALA PRO GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY SEQRES 2 A 108 GLN THR ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY SEQRES 3 A 108 GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET SEQRES 4 A 108 ILE PHE ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU SEQRES 5 A 108 ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE SEQRES 6 A 108 LYS GLY TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS SEQRES 7 A 108 GLY SER HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN SEQRES 8 A 108 PRO GLN THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA SEQRES 9 A 108 GLU GLY PRO ALA SEQRES 1 B 105 ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR ILE SEQRES 2 B 105 SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP HIS SEQRES 3 B 105 GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE ARG SEQRES 4 B 105 VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU ILE SEQRES 5 B 105 GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY TYR SEQRES 6 B 105 ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER HIS SEQRES 7 B 105 LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN THR SEQRES 8 B 105 PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY PRO SEQRES 9 B 105 ALA SEQRES 1 C 31 GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR SEQRES 2 C 31 ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP SEQRES 3 C 31 HIS GLU HIS VAL VAL SEQRES 1 C 14 PHE ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG SEQRES 2 C 14 LEU SEQRES 1 C 18 TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER HIS LEU SEQRES 2 C 18 GLY TRP HIS TYR GLU SEQRES 1 C 12 PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY PRO HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET JOK A 455 32 ATOM 1 N ALA A 16 11.151 12.100 26.955 1.00 53.44 N ATOM 2 CA ALA A 16 12.297 13.020 26.625 1.00 51.82 C ATOM 3 C ALA A 16 13.217 12.409 25.555 1.00 50.24 C ATOM 4 O ALA A 16 14.336 11.994 25.859 1.00 50.25 O ATOM 5 CB ALA A 16 13.089 13.355 27.888 1.00 52.79 C ATOM 6 HN3 ALA A 16 11.524 11.199 27.316 1.00 0.00 H ATOM 7 HN2 ALA A 16 10.590 11.926 26.097 1.00 0.00 H ATOM 8 HN1 ALA A 16 10.550 12.543 27.680 1.00 0.00 H ATOM 9 N PRO A 17 12.752 12.354 24.294 1.00 48.81 N ATOM 10 CA PRO A 17 13.580 11.771 23.235 1.00 47.19 C ATOM 11 C PRO A 17 14.816 12.611 22.897 1.00 44.40 C ATOM 12 O PRO A 17 14.740 13.832 22.876 1.00 43.48 O ATOM 13 CB PRO A 17 12.630 11.731 22.026 1.00 47.20 C ATOM 14 CG PRO A 17 11.600 12.767 22.318 1.00 47.75 C ATOM 15 CD PRO A 17 11.423 12.756 23.791 1.00 49.40 C ATOM 16 N GLY A 18 15.935 11.952 22.629 1.00 43.98 N ATOM 17 CA GLY A 18 17.153 12.642 22.167 1.00 42.49 C ATOM 18 C GLY A 18 17.405 12.602 20.677 1.00 41.69 C ATOM 19 O GLY A 18 18.354 13.210 20.221 1.00 41.57 O ATOM 20 H GLY A 18 15.954 10.919 22.748 1.00 0.00 H ATOM 21 N ALA A 19 16.597 11.861 19.919 1.00 41.97 N ATOM 22 CA ALA A 19 16.729 11.786 18.436 1.00 40.61 C ATOM 23 C ALA A 19 15.438 12.297 17.823 1.00 40.28 C ATOM 24 O ALA A 19 14.554 11.531 17.410 1.00 45.05 O ATOM 25 CB ALA A 19 17.010 10.362 17.980 1.00 41.15 C ATOM 26 H ALA A 19 15.844 11.313 20.381 1.00 0.00 H ATOM 27 N SER A 20 15.298 13.612 17.846 1.00 37.77 N ATOM 28 CA SER A 20 14.062 14.253 17.528 1.00 35.92 C ATOM 29 C SER A 20 14.233 15.149 16.359 1.00 32.08 C ATOM 30 O SER A 20 13.519 14.987 15.391 1.00 30.84 O ATOM 31 CB SER A 20 13.511 15.056 18.708 1.00 38.62 C ATOM 32 OG SER A 20 12.194 15.386 18.375 1.00 39.57 O ATOM 33 HG SER A 20 11.790 15.910 19.111 1.00 0.00 H ATOM 34 H SER A 20 16.116 14.200 18.105 1.00 0.00 H ATOM 35 N ILE A 21 15.123 16.133 16.445 1.00 28.76 N ATOM 36 CA ILE A 21 15.225 17.135 15.428 1.00 27.17 C ATOM 37 C ILE A 21 16.654 17.290 14.943 1.00 23.93 C ATOM 38 O ILE A 21 17.593 16.881 15.638 1.00 23.73 O ATOM 39 CB ILE A 21 14.653 18.477 15.855 1.00 29.14 C ATOM 40 CG1 ILE A 21 15.475 19.127 16.916 1.00 30.49 C ATOM 41 CG2 ILE A 21 13.213 18.357 16.362 1.00 30.99 C ATOM 42 CD1 ILE A 21 15.641 20.594 16.582 1.00 31.85 C ATOM 43 H ILE A 21 15.758 16.175 17.268 1.00 0.00 H ATOM 44 N PHE A 22 16.778 17.832 13.746 1.00 20.72 N ATOM 45 CA PHE A 22 18.056 18.033 13.104 1.00 19.78 C ATOM 46 C PHE A 22 18.312 19.535 13.006 1.00 19.32 C ATOM 47 O PHE A 22 17.470 20.294 12.512 1.00 18.83 O ATOM 48 CB PHE A 22 18.050 17.434 11.705 1.00 19.06 C ATOM 49 CG PHE A 22 18.057 15.940 11.693 1.00 19.78 C ATOM 50 CD1 PHE A 22 19.233 15.232 11.779 1.00 20.98 C ATOM 51 CD2 PHE A 22 16.868 15.227 11.664 1.00 20.83 C ATOM 52 CE1 PHE A 22 19.255 13.858 11.789 1.00 21.56 C ATOM 53 CE2 PHE A 22 16.895 13.830 11.673 1.00 21.72 C ATOM 54 CZ PHE A 22 18.087 13.159 11.742 1.00 22.10 C ATOM 55 H PHE A 22 15.917 18.127 13.243 1.00 0.00 H ATOM 56 N ARG A 23 19.500 19.953 13.457 1.00 18.43 N ATOM 57 CA ARG A 23 19.916 21.334 13.415 1.00 18.59 C ATOM 58 C ARG A 23 21.174 21.439 12.558 1.00 17.72 C ATOM 59 O ARG A 23 21.850 20.471 12.382 1.00 17.55 O ATOM 60 CB ARG A 23 20.247 21.843 14.822 1.00 19.87 C ATOM 61 CG ARG A 23 19.071 21.857 15.755 1.00 20.88 C ATOM 62 CD ARG A 23 19.342 22.488 17.125 1.00 22.48 C ATOM 63 NE ARG A 23 18.074 22.667 17.836 1.00 23.90 N ATOM 64 CZ ARG A 23 17.186 23.646 17.614 1.00 24.74 C ATOM 65 NH1 ARG A 23 17.465 24.660 16.803 1.00 25.01 N ATOM 66 NH2 ARG A 23 16.037 23.649 18.271 1.00 26.55 N ATOM 67 HE ARG A 23 17.843 21.975 18.577 1.00 0.00 H ATOM 68 HH12 ARG A 23 16.761 25.409 16.645 1.00 0.00 H ATOM 69 HH11 ARG A 23 18.388 24.705 16.326 1.00 0.00 H ATOM 70 HH22 ARG A 23 15.344 24.406 18.103 1.00 0.00 H ATOM 71 HH21 ARG A 23 15.827 22.894 18.955 1.00 0.00 H ATOM 72 H ARG A 23 20.154 19.250 13.856 1.00 0.00 H ATOM 73 N CYS A 24 21.461 22.621 12.027 1.00 17.57 N ATOM 74 CA CYS A 24 22.712 22.860 11.345 1.00 16.94 C ATOM 75 C CYS A 24 23.868 22.618 12.337 1.00 17.26 C ATOM 76 O CYS A 24 23.865 23.166 13.432 1.00 17.54 O ATOM 77 CB CYS A 24 22.776 24.282 10.828 1.00 17.40 C ATOM 78 SG CYS A 24 24.382 24.743 10.111 1.00 18.10 S ATOM 79 H CYS A 24 20.769 23.394 12.104 1.00 0.00 H ATOM 80 N ARG A 25 24.826 21.791 11.945 1.00 17.24 N ATOM 81 CA ARG A 25 25.951 21.467 12.809 1.00 18.73 C ATOM 82 C ARG A 25 26.819 22.677 13.131 1.00 19.06 C ATOM 83 O ARG A 25 27.493 22.680 14.165 1.00 19.55 O ATOM 84 CB ARG A 25 26.779 20.387 12.134 1.00 19.00 C ATOM 85 CG ARG A 25 28.049 19.979 12.822 1.00 19.90 C ATOM 86 CD ARG A 25 28.752 18.963 11.997 1.00 19.89 C ATOM 87 NE ARG A 25 30.054 18.751 12.611 1.00 20.98 N ATOM 88 CZ ARG A 25 30.931 17.832 12.185 1.00 21.01 C ATOM 89 NH1 ARG A 25 30.636 16.997 11.180 1.00 20.41 N ATOM 90 NH2 ARG A 25 32.106 17.777 12.768 1.00 22.20 N ATOM 91 HE ARG A 25 30.318 19.344 13.423 1.00 0.00 H ATOM 92 HH12 ARG A 25 31.334 16.292 10.868 1.00 0.00 H ATOM 93 HH11 ARG A 25 29.709 17.054 10.712 1.00 0.00 H ATOM 94 HH22 ARG A 25 32.807 17.074 12.459 1.00 0.00 H ATOM 95 HH21 ARG A 25 32.335 18.436 13.539 1.00 0.00 H ATOM 96 H ARG A 25 24.773 21.364 10.998 1.00 0.00 H ATOM 97 N GLN A 26 26.847 23.660 12.229 1.00 19.64 N ATOM 98 CA GLN A 26 27.711 24.852 12.432 1.00 21.39 C ATOM 99 C GLN A 26 27.120 25.932 13.312 1.00 22.19 C ATOM 100 O GLN A 26 27.851 26.618 14.022 1.00 24.04 O ATOM 101 CB GLN A 26 28.122 25.429 11.080 1.00 23.00 C ATOM 102 CG GLN A 26 28.844 24.415 10.212 1.00 24.30 C ATOM 103 CD GLN A 26 30.087 23.814 10.858 1.00 26.65 C ATOM 104 OE1 GLN A 26 30.827 24.490 11.555 1.00 29.45 O ATOM 105 NE2 GLN A 26 30.321 22.530 10.616 1.00 30.87 N ATOM 106 HE22 GLN A 26 29.668 21.986 10.017 1.00 0.00 H ATOM 107 HE21 GLN A 26 31.158 22.068 11.025 1.00 0.00 H ATOM 108 H GLN A 26 26.258 23.591 11.375 1.00 0.00 H ATOM 109 N CYS A 27 25.805 26.081 13.325 1.00 20.51 N ATOM 110 CA CYS A 27 25.181 27.220 14.027 1.00 21.48 C ATOM 111 C CYS A 27 23.935 26.896 14.845 1.00 21.44 C ATOM 112 O CYS A 27 23.447 27.753 15.605 1.00 23.24 O ATOM 113 CB CYS A 27 24.906 28.327 13.012 1.00 21.34 C ATOM 114 SG CYS A 27 23.449 27.980 12.023 1.00 20.41 S ATOM 115 H CYS A 27 25.204 25.388 12.835 1.00 0.00 H ATOM 116 N GLY A 28 23.363 25.705 14.690 1.00 20.40 N ATOM 117 CA GLY A 28 22.210 25.315 15.459 1.00 20.39 C ATOM 118 C GLY A 28 20.836 25.663 14.898 1.00 20.50 C ATOM 119 O GLY A 28 19.805 25.369 15.509 1.00 21.24 O ATOM 120 H GLY A 28 23.759 25.039 13.996 1.00 0.00 H ATOM 121 N GLN A 29 20.804 26.277 13.737 1.00 20.67 N ATOM 122 CA GLN A 29 19.522 26.569 13.083 1.00 21.27 C ATOM 123 C GLN A 29 18.686 25.306 12.957 1.00 20.47 C ATOM 124 O GLN A 29 19.183 24.288 12.560 1.00 19.15 O ATOM 125 CB GLN A 29 19.780 27.161 11.686 1.00 21.90 C ATOM 126 CG GLN A 29 18.522 27.374 10.827 1.00 22.71 C ATOM 127 CD GLN A 29 17.535 28.374 11.415 1.00 24.98 C ATOM 128 OE1 GLN A 29 17.905 29.409 11.895 1.00 26.51 O ATOM 129 NE2 GLN A 29 16.219 28.021 11.409 1.00 27.29 N ATOM 130 HE22 GLN A 29 15.925 27.118 10.986 1.00 0.00 H ATOM 131 HE21 GLN A 29 15.509 28.655 11.827 1.00 0.00 H ATOM 132 H GLN A 29 21.694 26.558 13.278 1.00 0.00 H ATOM 133 N THR A 30 17.413 25.391 13.314 1.00 21.09 N ATOM 134 CA THR A 30 16.520 24.232 13.163 1.00 21.48 C ATOM 135 C THR A 30 16.299 23.932 11.697 1.00 20.27 C ATOM 136 O THR A 30 15.975 24.866 10.942 1.00 19.81 O ATOM 137 CB THR A 30 15.130 24.522 13.783 1.00 23.68 C ATOM 138 OG1 THR A 30 15.250 25.244 15.015 1.00 26.73 O ATOM 139 CG2 THR A 30 14.428 23.250 13.983 1.00 24.08 C ATOM 140 HG1 THR A 30 14.348 25.414 15.386 1.00 0.00 H ATOM 141 H THR A 30 17.043 26.282 13.703 1.00 0.00 H ATOM 142 N ILE A 31 16.463 22.670 11.273 1.00 19.12 N ATOM 143 CA ILE A 31 16.389 22.344 9.829 1.00 18.83 C ATOM 144 C ILE A 31 15.293 21.329 9.527 1.00 19.76 C ATOM 145 O ILE A 31 14.494 21.533 8.611 1.00 21.16 O ATOM 146 CB ILE A 31 17.744 21.826 9.262 1.00 17.91 C ATOM 147 CG1 ILE A 31 18.852 22.863 9.472 1.00 17.76 C ATOM 148 CG2 ILE A 31 17.611 21.498 7.778 1.00 17.66 C ATOM 149 CD1 ILE A 31 18.693 24.203 8.759 1.00 17.87 C ATOM 150 H ILE A 31 16.644 21.914 11.964 1.00 0.00 H ATOM 151 N SER A 32 15.267 20.218 10.236 1.00 20.44 N ATOM 152 CA SER A 32 14.262 19.195 9.967 1.00 20.62 C ATOM 153 C SER A 32 14.038 18.300 11.179 1.00 21.89 C ATOM 154 O SER A 32 14.494 18.623 12.297 1.00 21.11 O ATOM 155 CB SER A 32 14.657 18.372 8.736 1.00 19.94 C ATOM 156 OG SER A 32 13.529 17.662 8.231 1.00 20.41 O ATOM 157 HG SER A 32 12.822 18.306 7.976 1.00 0.00 H ATOM 158 H SER A 32 15.967 20.070 10.991 1.00 0.00 H ATOM 159 N ARG A 33 13.301 17.208 10.979 1.00 22.49 N ATOM 160 CA ARG A 33 12.871 16.350 12.077 1.00 24.64 C ATOM 161 C ARG A 33 12.965 14.922 11.641 1.00 24.52 C ATOM 162 O ARG A 33 12.724 14.598 10.498 1.00 23.15 O ATOM 163 CB ARG A 33 11.402 16.631 12.461 1.00 27.30 C ATOM 164 CG ARG A 33 11.073 18.087 12.717 1.00 29.46 C ATOM 165 CD ARG A 33 9.638 18.249 13.182 1.00 32.55 C ATOM 166 NE ARG A 33 9.471 17.893 14.570 1.00 36.22 N ATOM 167 CZ ARG A 33 9.801 18.670 15.615 1.00 39.24 C ATOM 168 NH1 ARG A 33 10.353 19.882 15.449 1.00 40.92 N ATOM 169 NH2 ARG A 33 9.591 18.231 16.849 1.00 40.87 N ATOM 170 HE ARG A 33 9.062 16.960 14.778 1.00 0.00 H ATOM 171 HH12 ARG A 33 10.597 20.460 16.278 1.00 0.00 H ATOM 172 HH11 ARG A 33 10.536 20.243 14.491 1.00 0.00 H ATOM 173 HH22 ARG A 33 9.844 18.827 17.663 1.00 0.00 H ATOM 174 HH21 ARG A 33 9.173 17.291 17.002 1.00 0.00 H ATOM 175 H ARG A 33 13.023 16.959 10.008 1.00 0.00 H ATOM 176 N ARG A 34 13.294 14.031 12.572 1.00 25.33 N ATOM 177 CA ARG A 34 13.335 12.617 12.278 1.00 26.27 C ATOM 178 C ARG A 34 11.976 12.117 11.754 1.00 25.65 C ATOM 179 O ARG A 34 11.951 11.276 10.874 1.00 24.69 O ATOM 180 CB ARG A 34 13.766 11.812 13.507 1.00 29.26 C ATOM 181 CG ARG A 34 13.880 10.319 13.229 1.00 32.51 C ATOM 182 CD ARG A 34 14.702 9.566 14.271 1.00 35.67 C ATOM 183 NE ARG A 34 16.132 9.654 13.992 1.00 37.08 N ATOM 184 CZ ARG A 34 16.818 8.864 13.155 1.00 38.51 C ATOM 185 NH1 ARG A 34 16.256 7.860 12.473 1.00 41.50 N ATOM 186 NH2 ARG A 34 18.100 9.071 13.008 1.00 38.44 N ATOM 187 HE ARG A 34 16.666 10.396 14.487 1.00 0.00 H ATOM 188 HH12 ARG A 34 16.835 7.276 11.836 1.00 0.00 H ATOM 189 HH11 ARG A 34 15.240 7.663 12.580 1.00 0.00 H ATOM 190 HH22 ARG A 34 18.653 8.471 12.364 1.00 0.00 H ATOM 191 HH21 ARG A 34 18.567 9.836 13.535 1.00 0.00 H ATOM 192 H ARG A 34 13.526 14.359 13.531 1.00 0.00 H ATOM 193 N ASP A 35 10.876 12.635 12.299 1.00 26.83 N ATOM 194 CA ASP A 35 9.533 12.278 11.819 1.00 27.96 C ATOM 195 C ASP A 35 9.339 12.550 10.319 1.00 26.49 C ATOM 196 O ASP A 35 8.413 11.981 9.715 1.00 25.75 O ATOM 197 CB ASP A 35 8.450 13.057 12.582 1.00 30.38 C ATOM 198 CG ASP A 35 8.194 12.525 13.972 1.00 33.70 C ATOM 199 OD1 ASP A 35 8.665 11.425 14.320 1.00 35.76 O ATOM 200 OD2 ASP A 35 7.467 13.222 14.714 1.00 36.33 O ATOM 201 H ASP A 35 10.970 13.310 13.085 1.00 0.00 H ATOM 202 N TRP A 36 10.160 13.445 9.741 1.00 24.23 N ATOM 203 CA TRP A 36 10.039 13.845 8.334 1.00 23.70 C ATOM 204 C TRP A 36 10.990 13.100 7.381 1.00 22.65 C ATOM 205 O TRP A 36 11.062 13.423 6.196 1.00 21.50 O ATOM 206 CB TRP A 36 10.221 15.351 8.180 1.00 23.20 C ATOM 207 CG TRP A 36 9.252 16.178 8.956 1.00 24.57 C ATOM 208 CD1 TRP A 36 8.049 15.790 9.492 1.00 25.77 C ATOM 209 CD2 TRP A 36 9.367 17.565 9.227 1.00 25.17 C ATOM 210 NE1 TRP A 36 7.441 16.844 10.120 1.00 27.23 N ATOM 211 CE2 TRP A 36 8.210 17.956 9.941 1.00 26.67 C ATOM 212 CE3 TRP A 36 10.341 18.513 8.953 1.00 24.84 C ATOM 213 CZ2 TRP A 36 8.006 19.265 10.365 1.00 27.62 C ATOM 214 CZ3 TRP A 36 10.149 19.802 9.382 1.00 25.54 C ATOM 215 CH2 TRP A 36 9.003 20.170 10.096 1.00 26.85 C ATOM 216 HE1 TRP A 36 6.544 16.803 10.645 1.00 0.00 H ATOM 217 H TRP A 36 10.914 13.872 10.316 1.00 0.00 H ATOM 218 N LEU A 37 11.703 12.107 7.881 1.00 23.37 N ATOM 219 CA LEU A 37 12.497 11.236 7.002 1.00 23.81 C ATOM 220 C LEU A 37 11.600 10.592 5.940 1.00 24.49 C ATOM 221 O LEU A 37 10.456 10.223 6.206 1.00 23.89 O ATOM 222 CB LEU A 37 13.247 10.175 7.786 1.00 24.83 C ATOM 223 CG LEU A 37 14.503 10.676 8.502 1.00 25.07 C ATOM 224 CD1 LEU A 37 15.011 9.643 9.495 1.00 26.74 C ATOM 225 CD2 LEU A 37 15.624 11.017 7.536 1.00 24.13 C ATOM 226 H LEU A 37 11.703 11.939 8.907 1.00 0.00 H ATOM 227 N LEU A 38 12.118 10.504 4.729 1.00 24.09 N ATOM 228 CA LEU A 38 11.407 10.028 3.566 1.00 26.20 C ATOM 229 C LEU A 38 12.169 8.885 2.879 1.00 28.08 C ATOM 230 O LEU A 38 13.255 9.107 2.370 1.00 26.83 O ATOM 231 CB LEU A 38 11.284 11.170 2.568 1.00 25.92 C ATOM 232 CG LEU A 38 10.629 10.857 1.218 1.00 26.98 C ATOM 233 CD1 LEU A 38 9.194 10.448 1.471 1.00 28.80 C ATOM 234 CD2 LEU A 38 10.753 12.058 0.299 1.00 27.17 C ATOM 235 H LEU A 38 13.108 10.798 4.604 1.00 0.00 H ATOM 236 N PRO A 39 11.629 7.658 2.879 1.00 30.38 N ATOM 237 CA PRO A 39 12.331 6.548 2.223 1.00 32.13 C ATOM 238 C PRO A 39 12.266 6.479 0.678 1.00 33.81 C ATOM 239 O PRO A 39 11.612 5.592 0.125 1.00 38.41 O ATOM 240 CB PRO A 39 11.681 5.318 2.862 1.00 34.14 C ATOM 241 CG PRO A 39 10.299 5.760 3.149 1.00 34.21 C ATOM 242 CD PRO A 39 10.427 7.192 3.597 1.00 32.81 C ATOM 243 N MET A 40 13.010 7.344 0.001 1.00 32.98 N ATOM 244 CA MET A 40 13.082 7.390 -1.471 1.00 33.08 C ATOM 245 C MET A 40 13.734 6.139 -2.029 1.00 34.37 C ATOM 246 O MET A 40 14.817 5.754 -1.597 1.00 33.03 O ATOM 247 CB MET A 40 13.892 8.607 -1.932 1.00 32.33 C ATOM 248 CG MET A 40 13.255 9.946 -1.696 1.00 32.04 C ATOM 249 SD MET A 40 11.755 10.225 -2.633 1.00 34.62 S ATOM 250 CE MET A 40 12.392 10.007 -4.292 1.00 34.61 C ATOM 251 H MET A 40 13.576 8.030 0.540 1.00 0.00 H ATOM 252 N GLY A 41 13.064 5.489 -2.972 1.00 36.15 N ATOM 253 CA GLY A 41 13.516 4.194 -3.482 1.00 37.91 C ATOM 254 C GLY A 41 13.699 3.127 -2.403 1.00 39.49 C ATOM 255 O GLY A 41 14.553 2.258 -2.537 1.00 41.29 O ATOM 256 H GLY A 41 12.195 5.911 -3.359 1.00 0.00 H ATOM 257 N GLY A 42 12.919 3.211 -1.320 1.00 39.46 N ATOM 258 CA GLY A 42 12.985 2.243 -0.224 1.00 39.55 C ATOM 259 C GLY A 42 14.021 2.474 0.868 1.00 38.89 C ATOM 260 O GLY A 42 14.240 1.599 1.704 1.00 41.00 O ATOM 261 H GLY A 42 12.239 3.995 -1.254 1.00 0.00 H ATOM 262 N ASP A 43 14.676 3.634 0.884 1.00 36.77 N ATOM 263 CA ASP A 43 15.695 3.899 1.903 1.00 36.20 C ATOM 264 C ASP A 43 15.806 5.398 2.083 1.00 33.14 C ATOM 265 O ASP A 43 15.902 6.101 1.091 1.00 32.38 O ATOM 266 CB ASP A 43 17.047 3.344 1.434 1.00 37.74 C ATOM 267 CG ASP A 43 18.068 3.192 2.566 1.00 39.59 C ATOM 268 OD1 ASP A 43 17.983 3.870 3.621 1.00 38.98 O ATOM 269 OD2 ASP A 43 18.996 2.369 2.381 1.00 43.40 O ATOM 270 H ASP A 43 14.462 4.357 0.168 1.00 0.00 H ATOM 271 N HIS A 44 15.798 5.899 3.324 1.00 32.12 N ATOM 272 CA HIS A 44 15.994 7.336 3.520 1.00 30.09 C ATOM 273 C HIS A 44 17.452 7.762 3.280 1.00 28.98 C ATOM 274 O HIS A 44 17.699 8.925 3.007 1.00 26.38 O ATOM 275 CB HIS A 44 15.469 7.853 4.880 1.00 30.88 C ATOM 276 CG HIS A 44 16.212 7.352 6.083 1.00 32.51 C ATOM 277 ND1 HIS A 44 15.613 6.588 7.063 1.00 35.45 N ATOM 278 CD2 HIS A 44 17.471 7.589 6.511 1.00 32.90 C ATOM 279 CE1 HIS A 44 16.496 6.322 8.015 1.00 35.60 C ATOM 280 NE2 HIS A 44 17.628 6.929 7.711 1.00 34.60 N ATOM 281 H HIS A 44 15.654 5.273 4.142 1.00 0.00 H ATOM 282 N GLU A 45 18.384 6.818 3.390 1.00 28.50 N ATOM 283 CA GLU A 45 19.803 7.085 3.139 1.00 28.94 C ATOM 284 C GLU A 45 20.228 6.673 1.739 1.00 28.21 C ATOM 285 O GLU A 45 19.963 5.542 1.303 1.00 29.62 O ATOM 286 CB GLU A 45 20.655 6.358 4.156 1.00 30.95 C ATOM 287 CG GLU A 45 22.153 6.588 4.004 1.00 32.43 C ATOM 288 CD GLU A 45 22.905 5.943 5.139 1.00 35.02 C ATOM 289 OE1 GLU A 45 22.988 6.565 6.215 1.00 36.54 O ATOM 290 OE2 GLU A 45 23.382 4.789 4.972 1.00 38.72 O ATOM 291 H GLU A 45 18.095 5.857 3.664 1.00 0.00 H ATOM 292 N HIS A 46 20.940 7.584 1.060 1.00 26.63 N ATOM 293 CA HIS A 46 21.483 7.376 -0.271 1.00 26.91 C ATOM 294 C HIS A 46 22.936 7.849 -0.283 1.00 26.75 C ATOM 295 O HIS A 46 23.213 8.997 0.042 1.00 25.59 O ATOM 296 CB HIS A 46 20.690 8.154 -1.293 1.00 27.31 C ATOM 297 CG HIS A 46 19.312 7.608 -1.498 1.00 28.62 C ATOM 298 ND1 HIS A 46 18.955 6.896 -2.626 1.00 29.96 N ATOM 299 CD2 HIS A 46 18.217 7.636 -0.704 1.00 29.14 C ATOM 300 CE1 HIS A 46 17.687 6.527 -2.517 1.00 30.30 C ATOM 301 NE2 HIS A 46 17.234 6.935 -1.351 1.00 29.52 N ATOM 302 H HIS A 46 21.115 8.501 1.517 1.00 0.00 H ATOM 303 N VAL A 47 23.837 6.931 -0.613 1.00 27.14 N ATOM 304 CA VAL A 47 25.261 7.265 -0.651 1.00 27.30 C ATOM 305 C VAL A 47 25.619 7.551 -2.103 1.00 26.52 C ATOM 306 O VAL A 47 25.455 6.679 -2.959 1.00 28.49 O ATOM 307 CB VAL A 47 26.140 6.170 -0.048 1.00 29.60 C ATOM 308 CG1 VAL A 47 27.576 6.654 0.021 1.00 29.94 C ATOM 309 CG2 VAL A 47 25.680 5.807 1.364 1.00 30.51 C ATOM 310 H VAL A 47 23.528 5.966 -0.847 1.00 0.00 H ATOM 311 N VAL A 48 26.102 8.759 -2.376 1.00 24.46 N ATOM 312 CA VAL A 48 26.205 9.296 -3.724 1.00 24.76 C ATOM 313 C VAL A 48 27.505 10.058 -3.931 1.00 24.84 C ATOM 314 O VAL A 48 28.112 10.475 -2.964 1.00 23.35 O ATOM 315 CB VAL A 48 24.996 10.221 -4.053 1.00 25.04 C ATOM 316 CG1 VAL A 48 23.702 9.392 -4.064 1.00 26.09 C ATOM 317 CG2 VAL A 48 24.903 11.424 -3.099 1.00 24.52 C ATOM 318 H VAL A 48 26.423 9.352 -1.584 1.00 0.00 H ATOM 319 N PHE A 49 27.906 10.266 -5.181 1.00 25.95 N ATOM 320 CA PHE A 49 29.090 11.095 -5.480 1.00 27.19 C ATOM 321 C PHE A 49 28.718 12.155 -6.489 1.00 26.09 C ATOM 322 O PHE A 49 27.946 11.874 -7.417 1.00 26.21 O ATOM 323 CB PHE A 49 30.217 10.284 -6.150 1.00 30.44 C ATOM 324 CG PHE A 49 30.766 9.176 -5.327 1.00 33.40 C ATOM 325 CD1 PHE A 49 30.131 7.955 -5.279 1.00 34.33 C ATOM 326 CD2 PHE A 49 31.954 9.340 -4.643 1.00 34.16 C ATOM 327 CE1 PHE A 49 30.650 6.934 -4.519 1.00 35.77 C ATOM 328 CE2 PHE A 49 32.502 8.309 -3.875 1.00 36.00 C ATOM 329 CZ PHE A 49 31.845 7.094 -3.815 1.00 36.08 C ATOM 330 H PHE A 49 27.375 9.836 -5.965 1.00 0.00 H ATOM 331 N ASN A 50 29.281 13.348 -6.328 1.00 25.12 N ATOM 332 CA ASN A 50 29.132 14.394 -7.333 1.00 26.00 C ATOM 333 C ASN A 50 30.247 14.317 -8.415 1.00 28.08 C ATOM 334 O ASN A 50 31.164 13.475 -8.310 1.00 28.24 O ATOM 335 CB ASN A 50 28.969 15.750 -6.655 1.00 24.99 C ATOM 336 CG ASN A 50 30.252 16.296 -6.047 1.00 26.19 C ATOM 337 OD1 ASN A 50 31.347 15.786 -6.262 1.00 27.08 O ATOM 338 ND2 ASN A 50 30.103 17.378 -5.311 1.00 26.42 N ATOM 339 HD22 ASN A 50 29.154 17.775 -5.156 1.00 0.00 H ATOM 340 HD21 ASN A 50 30.934 17.835 -4.885 1.00 0.00 H ATOM 341 H ASN A 50 29.837 13.539 -5.470 1.00 0.00 H ATOM 342 N PRO A 51 30.151 15.144 -9.480 1.00 28.96 N ATOM 343 CA PRO A 51 31.168 15.084 -10.519 1.00 30.79 C ATOM 344 C PRO A 51 32.578 15.444 -10.048 1.00 31.10 C ATOM 345 O PRO A 51 33.539 15.077 -10.709 1.00 32.63 O ATOM 346 CB PRO A 51 30.689 16.093 -11.564 1.00 31.68 C ATOM 347 CG PRO A 51 29.209 16.196 -11.344 1.00 29.80 C ATOM 348 CD PRO A 51 28.966 15.925 -9.901 1.00 28.69 C ATOM 349 N ALA A 52 32.672 16.185 -8.945 1.00 29.11 N ATOM 350 CA ALA A 52 33.946 16.494 -8.307 1.00 29.87 C ATOM 351 C ALA A 52 34.478 15.386 -7.402 1.00 29.57 C ATOM 352 O ALA A 52 35.491 15.596 -6.716 1.00 29.63 O ATOM 353 CB ALA A 52 33.830 17.795 -7.545 1.00 29.49 C ATOM 354 H ALA A 52 31.799 16.559 -8.521 1.00 0.00 H ATOM 355 N GLY A 53 33.819 14.230 -7.394 1.00 29.17 N ATOM 356 CA GLY A 53 34.294 13.058 -6.686 1.00 29.77 C ATOM 357 C GLY A 53 33.980 13.053 -5.212 1.00 29.20 C ATOM 358 O GLY A 53 34.399 12.135 -4.507 1.00 29.65 O ATOM 359 H GLY A 53 32.924 14.165 -7.919 1.00 0.00 H ATOM 360 N MET A 54 33.261 14.064 -4.732 1.00 28.68 N ATOM 361 CA MET A 54 32.911 14.144 -3.325 1.00 29.34 C ATOM 362 C MET A 54 31.811 13.135 -3.054 1.00 27.76 C ATOM 363 O MET A 54 30.801 13.107 -3.792 1.00 26.59 O ATOM 364 CB MET A 54 32.419 15.535 -2.969 1.00 31.52 C ATOM 365 CG MET A 54 33.383 16.655 -3.248 1.00 36.55 C ATOM 366 SD MET A 54 32.704 18.223 -2.687 1.00 45.33 S ATOM 367 CE MET A 54 32.114 19.087 -4.145 1.00 41.94 C ATOM 368 H MET A 54 32.943 14.814 -5.379 1.00 0.00 H ATOM 369 N ILE A 55 31.986 12.350 -1.986 1.00 26.96 N ATOM 370 CA ILE A 55 30.951 11.387 -1.537 1.00 26.27 C ATOM 371 C ILE A 55 30.084 12.058 -0.487 1.00 24.50 C ATOM 372 O ILE A 55 30.573 12.789 0.382 1.00 23.64 O ATOM 373 CB ILE A 55 31.591 10.115 -0.927 1.00 28.17 C ATOM 374 CG1 ILE A 55 30.529 9.044 -0.686 1.00 28.91 C ATOM 375 CG2 ILE A 55 32.319 10.405 0.403 1.00 28.91 C ATOM 376 CD1 ILE A 55 31.084 7.690 -0.285 1.00 31.36 C ATOM 377 H ILE A 55 32.876 12.417 -1.453 1.00 0.00 H ATOM 378 N PHE A 56 28.772 11.806 -0.574 1.00 22.82 N ATOM 379 CA PHE A 56 27.829 12.320 0.401 1.00 22.22 C ATOM 380 C PHE A 56 26.955 11.184 0.856 1.00 22.38 C ATOM 381 O PHE A 56 26.486 10.388 0.031 1.00 21.99 O ATOM 382 CB PHE A 56 26.954 13.401 -0.194 1.00 21.53 C ATOM 383 CG PHE A 56 27.705 14.598 -0.761 1.00 21.83 C ATOM 384 CD1 PHE A 56 28.044 15.669 0.028 1.00 21.97 C ATOM 385 CD2 PHE A 56 27.990 14.673 -2.109 1.00 22.64 C ATOM 386 CE1 PHE A 56 28.708 16.790 -0.506 1.00 22.82 C ATOM 387 CE2 PHE A 56 28.618 15.794 -2.653 1.00 23.15 C ATOM 388 CZ PHE A 56 28.988 16.851 -1.849 1.00 23.16 C ATOM 389 H PHE A 56 28.419 11.226 -1.362 1.00 0.00 H ATOM 390 N ARG A 57 26.684 11.156 2.166 1.00 22.34 N ATOM 391 CA ARG A 57 25.665 10.290 2.723 1.00 23.50 C ATOM 392 C ARG A 57 24.460 11.202 2.906 1.00 21.53 C ATOM 393 O ARG A 57 24.449 12.052 3.779 1.00 21.12 O ATOM 394 CB ARG A 57 26.140 9.716 4.035 1.00 27.66 C ATOM 395 CG ARG A 57 25.120 8.867 4.778 1.00 31.07 C ATOM 396 CD ARG A 57 25.627 8.614 6.204 1.00 34.62 C ATOM 397 NE ARG A 57 26.854 7.818 6.205 1.00 39.32 N ATOM 398 CZ ARG A 57 26.930 6.520 6.515 1.00 42.03 C ATOM 399 NH1 ARG A 57 25.846 5.836 6.897 1.00 44.01 N ATOM 400 NH2 ARG A 57 28.102 5.899 6.485 1.00 43.94 N ATOM 401 HE ARG A 57 27.738 8.300 5.944 1.00 0.00 H ATOM 402 HH12 ARG A 57 25.925 4.827 7.134 1.00 0.00 H ATOM 403 HH11 ARG A 57 24.924 6.314 6.957 1.00 0.00 H ATOM 404 HH22 ARG A 57 28.162 4.889 6.726 1.00 0.00 H ATOM 405 HH21 ARG A 57 28.961 6.422 6.220 1.00 0.00 H ATOM 406 H ARG A 57 27.222 11.776 2.805 1.00 0.00 H ATOM 407 N VAL A 58 23.481 11.038 2.033 1.00 20.88 N ATOM 408 CA VAL A 58 22.346 11.957 1.918 1.00 20.08 C ATOM 409 C VAL A 58 21.172 11.276 2.581 1.00 20.35 C ATOM 410 O VAL A 58 20.908 10.104 2.302 1.00 21.54 O ATOM 411 CB VAL A 58 22.023 12.254 0.458 1.00 20.33 C ATOM 412 CG1 VAL A 58 20.724 13.042 0.320 1.00 20.60 C ATOM 413 CG2 VAL A 58 23.166 13.048 -0.157 1.00 20.54 C ATOM 414 H VAL A 58 23.518 10.216 1.397 1.00 0.00 H ATOM 415 N TRP A 59 20.495 12.007 3.473 1.00 19.70 N ATOM 416 CA TRP A 59 19.246 11.548 4.058 1.00 20.45 C ATOM 417 C TRP A 59 18.146 12.388 3.435 1.00 19.21 C ATOM 418 O TRP A 59 18.240 13.620 3.349 1.00 17.40 O ATOM 419 CB TRP A 59 19.252 11.684 5.583 1.00 22.40 C ATOM 420 CG TRP A 59 20.037 10.560 6.272 1.00 25.11 C ATOM 421 CD1 TRP A 59 21.017 9.773 5.713 1.00 26.57 C ATOM 422 CD2 TRP A 59 19.897 10.113 7.621 1.00 27.08 C ATOM 423 NE1 TRP A 59 21.495 8.872 6.645 1.00 28.67 N ATOM 424 CE2 TRP A 59 20.815 9.059 7.818 1.00 28.73 C ATOM 425 CE3 TRP A 59 19.063 10.486 8.677 1.00 29.29 C ATOM 426 CZ2 TRP A 59 20.927 8.375 9.027 1.00 30.38 C ATOM 427 CZ3 TRP A 59 19.157 9.810 9.867 1.00 30.70 C ATOM 428 CH2 TRP A 59 20.101 8.758 10.040 1.00 31.88 C ATOM 429 HE1 TRP A 59 22.245 8.170 6.483 1.00 0.00 H ATOM 430 H TRP A 59 20.874 12.933 3.757 1.00 0.00 H ATOM 431 N CYS A 60 17.086 11.703 3.026 1.00 19.20 N ATOM 432 CA CYS A 60 15.971 12.339 2.358 1.00 19.22 C ATOM 433 C CYS A 60 14.916 12.664 3.381 1.00 19.42 C ATOM 434 O CYS A 60 14.579 11.829 4.236 1.00 20.49 O ATOM 435 CB CYS A 60 15.392 11.424 1.301 1.00 20.67 C ATOM 436 SG CYS A 60 16.563 11.026 -0.019 1.00 22.77 S ATOM 437 H CYS A 60 17.055 10.677 3.191 1.00 0.00 H ATOM 438 N PHE A 61 14.385 13.879 3.279 1.00 18.14 N ATOM 439 CA PHE A 61 13.331 14.390 4.178 1.00 18.49 C ATOM 440 C PHE A 61 12.198 14.954 3.313 1.00 18.40 C ATOM 441 O PHE A 61 12.426 15.577 2.253 1.00 18.06 O ATOM 442 CB PHE A 61 13.885 15.528 5.024 1.00 18.24 C ATOM 443 CG PHE A 61 14.896 15.108 6.046 1.00 18.35 C ATOM 444 CD1 PHE A 61 16.239 15.052 5.704 1.00 18.50 C ATOM 445 CD2 PHE A 61 14.541 14.823 7.350 1.00 18.96 C ATOM 446 CE1 PHE A 61 17.185 14.708 6.662 1.00 18.31 C ATOM 447 CE2 PHE A 61 15.485 14.471 8.290 1.00 19.61 C ATOM 448 CZ PHE A 61 16.806 14.420 7.953 1.00 18.91 C ATOM 449 H PHE A 61 14.732 14.504 2.524 1.00 0.00 H ATOM 450 N SER A 62 10.966 14.751 3.762 1.00 19.25 N ATOM 451 CA SER A 62 9.843 15.303 3.044 1.00 19.95 C ATOM 452 C SER A 62 9.748 16.816 3.172 1.00 20.08 C ATOM 453 O SER A 62 9.146 17.470 2.309 1.00 20.91 O ATOM 454 CB SER A 62 8.561 14.663 3.547 1.00 21.03 C ATOM 455 OG SER A 62 8.533 13.306 3.164 1.00 21.40 O ATOM 456 HG SER A 62 7.697 12.889 3.492 1.00 0.00 H ATOM 457 H SER A 62 10.811 14.196 4.628 1.00 0.00 H ATOM 458 N LEU A 63 10.247 17.346 4.289 1.00 20.41 N ATOM 459 CA LEU A 63 10.136 18.750 4.653 1.00 21.03 C ATOM 460 C LEU A 63 11.390 19.181 5.358 1.00 20.77 C ATOM 461 O LEU A 63 12.034 18.371 6.016 1.00 20.13 O ATOM 462 CB LEU A 63 8.973 18.951 5.627 1.00 23.53 C ATOM 463 CG LEU A 63 8.495 20.313 6.011 1.00 25.09 C ATOM 464 CD1 LEU A 63 8.178 21.133 4.786 1.00 25.76 C ATOM 465 CD2 LEU A 63 7.223 20.102 6.810 1.00 26.76 C ATOM 466 H LEU A 63 10.749 16.713 4.944 1.00 0.00 H ATOM 467 N ALA A 64 11.701 20.459 5.240 1.00 20.85 N ATOM 468 CA ALA A 64 12.777 21.085 5.982 1.00 20.84 C ATOM 469 C ALA A 64 12.453 22.548 6.064 1.00 21.76 C ATOM 470 O ALA A 64 11.591 23.056 5.334 1.00 23.45 O ATOM 471 CB ALA A 64 14.120 20.878 5.313 1.00 20.06 C ATOM 472 H ALA A 64 11.147 21.045 4.583 1.00 0.00 H ATOM 473 N GLN A 65 13.156 23.228 6.958 1.00 22.02 N ATOM 474 CA GLN A 65 12.960 24.620 7.255 1.00 22.82 C ATOM 475 C GLN A 65 14.320 25.261 7.538 1.00 21.75 C ATOM 476 O GLN A 65 15.312 24.548 7.664 1.00 20.47 O ATOM 477 CB GLN A 65 12.043 24.770 8.481 1.00 25.66 C ATOM 478 CG GLN A 65 12.544 24.060 9.727 1.00 27.52 C ATOM 479 CD GLN A 65 11.650 24.154 10.933 1.00 31.02 C ATOM 480 OE1 GLN A 65 11.660 25.137 11.651 1.00 35.77 O ATOM 481 NE2 GLN A 65 10.928 23.099 11.195 1.00 34.04 N ATOM 482 HE22 GLN A 65 10.950 22.281 10.553 1.00 0.00 H ATOM 483 HE21 GLN A 65 10.330 23.076 12.046 1.00 0.00 H ATOM 484 H GLN A 65 13.899 22.720 7.479 1.00 0.00 H ATOM 485 N GLY A 66 14.371 26.581 7.574 1.00 22.31 N ATOM 486 CA GLY A 66 15.588 27.289 7.966 1.00 22.74 C ATOM 487 C GLY A 66 16.689 27.270 6.920 1.00 22.23 C ATOM 488 O GLY A 66 17.832 27.631 7.248 1.00 22.47 O ATOM 489 H GLY A 66 13.525 27.129 7.317 1.00 0.00 H ATOM 490 N LEU A 67 16.374 26.848 5.695 1.00 21.81 N ATOM 491 CA LEU A 67 17.332 26.819 4.587 1.00 21.56 C ATOM 492 C LEU A 67 17.133 28.026 3.707 1.00 23.31 C ATOM 493 O LEU A 67 16.164 28.751 3.860 1.00 23.88 O ATOM 494 CB LEU A 67 17.155 25.546 3.739 1.00 21.10 C ATOM 495 CG LEU A 67 17.356 24.244 4.497 1.00 19.94 C ATOM 496 CD1 LEU A 67 16.677 23.077 3.775 1.00 19.77 C ATOM 497 CD2 LEU A 67 18.850 23.986 4.760 1.00 19.86 C ATOM 498 H LEU A 67 15.402 26.524 5.518 1.00 0.00 H ATOM 499 N ARG A 68 18.076 28.235 2.791 1.00 23.08 N ATOM 500 CA ARG A 68 17.958 29.205 1.721 1.00 26.00 C ATOM 501 C ARG A 68 18.333 28.457 0.456 1.00 25.75 C ATOM 502 O ARG A 68 19.413 27.867 0.354 1.00 23.10 O ATOM 503 CB ARG A 68 18.883 30.407 1.951 1.00 29.13 C ATOM 504 CG ARG A 68 18.918 31.418 0.814 1.00 33.05 C ATOM 505 CD ARG A 68 19.541 32.752 1.236 1.00 35.82 C ATOM 506 NE ARG A 68 20.944 32.622 1.648 1.00 38.41 N ATOM 507 CZ ARG A 68 22.015 32.776 0.856 1.00 40.88 C ATOM 508 NH1 ARG A 68 21.900 33.098 -0.438 1.00 44.59 N ATOM 509 NH2 ARG A 68 23.229 32.620 1.361 1.00 41.44 N ATOM 510 HE ARG A 68 21.124 32.389 2.646 1.00 0.00 H ATOM 511 HH12 ARG A 68 22.752 33.210 -1.024 1.00 0.00 H ATOM 512 HH11 ARG A 68 20.959 33.237 -0.858 1.00 0.00 H ATOM 513 HH22 ARG A 68 24.064 32.738 0.753 1.00 0.00 H ATOM 514 HH21 ARG A 68 23.347 32.380 2.366 1.00 0.00 H ATOM 515 H ARG A 68 18.947 27.670 2.846 1.00 0.00 H ATOM 516 N LEU A 69 17.404 28.446 -0.497 1.00 26.04 N ATOM 517 CA LEU A 69 17.610 27.745 -1.749 1.00 27.52 C ATOM 518 C LEU A 69 18.180 28.723 -2.754 1.00 30.43 C ATOM 519 O LEU A 69 17.659 29.851 -2.911 1.00 31.94 O ATOM 520 CB LEU A 69 16.282 27.135 -2.233 1.00 27.31 C ATOM 521 CG LEU A 69 15.569 26.246 -1.221 1.00 27.44 C ATOM 522 CD1 LEU A 69 14.275 25.702 -1.808 1.00 28.75 C ATOM 523 CD2 LEU A 69 16.493 25.142 -0.696 1.00 26.50 C ATOM 524 H LEU A 69 16.509 28.952 -0.340 1.00 0.00 H ATOM 525 N ILE A 70 19.244 28.318 -3.426 1.00 30.84 N ATOM 526 CA ILE A 70 20.030 29.187 -4.283 1.00 34.62 C ATOM 527 C ILE A 70 19.899 28.791 -5.737 1.00 35.82 C ATOM 528 O ILE A 70 20.121 27.637 -6.071 1.00 34.88 O ATOM 529 CB ILE A 70 21.508 29.007 -3.945 1.00 36.18 C ATOM 530 CG1 ILE A 70 21.723 29.100 -2.433 1.00 37.03 C ATOM 531 CG2 ILE A 70 22.372 29.999 -4.711 1.00 38.64 C ATOM 532 CD1 ILE A 70 21.318 30.435 -1.871 1.00 37.82 C ATOM 533 H ILE A 70 19.534 27.323 -3.336 1.00 0.00 H ATOM 534 N GLY A 71 19.552 29.769 -6.567 1.00 38.69 N ATOM 535 CA GLY A 71 19.544 29.588 -8.015 1.00 39.86 C ATOM 536 C GLY A 71 18.291 28.930 -8.539 1.00 39.62 C ATOM 537 O GLY A 71 17.319 28.734 -7.806 1.00 41.10 O ATOM 538 H GLY A 71 19.278 30.691 -6.173 1.00 0.00 H ATOM 539 N ALA A 72 18.312 28.621 -9.826 1.00 40.30 N ATOM 540 CA ALA A 72 17.205 27.964 -10.485 1.00 38.31 C ATOM 541 C ALA A 72 17.481 26.456 -10.489 1.00 34.94 C ATOM 542 O ALA A 72 18.647 26.051 -10.472 1.00 35.40 O ATOM 543 CB ALA A 72 17.065 28.483 -11.898 1.00 40.24 C ATOM 544 H ALA A 72 19.156 28.860 -10.384 1.00 0.00 H ATOM 545 N PRO A 73 16.421 25.627 -10.535 1.00 32.22 N ATOM 546 CA PRO A 73 16.633 24.184 -10.529 1.00 29.98 C ATOM 547 C PRO A 73 17.396 23.665 -11.735 1.00 29.38 C ATOM 548 O PRO A 73 17.306 24.231 -12.827 1.00 30.98 O ATOM 549 CB PRO A 73 15.213 23.608 -10.496 1.00 30.35 C ATOM 550 CG PRO A 73 14.370 24.693 -9.973 1.00 30.97 C ATOM 551 CD PRO A 73 14.977 25.944 -10.492 1.00 32.25 C ATOM 552 N SER A 74 18.153 22.598 -11.532 1.00 26.92 N ATOM 553 CA SER A 74 18.862 21.934 -12.612 1.00 27.32 C ATOM 554 C SER A 74 18.625 20.441 -12.549 1.00 26.29 C ATOM 555 O SER A 74 18.618 19.883 -11.470 1.00 24.59 O ATOM 556 CB SER A 74 20.363 22.178 -12.490 1.00 27.87 C ATOM 557 OG SER A 74 21.033 21.451 -13.532 1.00 29.25 O ATOM 558 HG SER A 74 22.009 21.602 -13.463 1.00 0.00 H ATOM 559 H SER A 74 18.243 22.222 -10.566 1.00 0.00 H ATOM 560 N GLY A 75 18.466 19.787 -13.686 1.00 26.01 N ATOM 561 CA GLY A 75 18.382 18.326 -13.748 1.00 26.40 C ATOM 562 C GLY A 75 19.731 17.648 -13.915 1.00 27.18 C ATOM 563 O GLY A 75 19.820 16.429 -13.825 1.00 26.43 O ATOM 564 H GLY A 75 18.398 20.330 -14.570 1.00 0.00 H ATOM 565 N GLU A 76 20.771 18.431 -14.160 1.00 29.50 N ATOM 566 CA GLU A 76 22.120 17.907 -14.451 1.00 31.55 C ATOM 567 C GLU A 76 22.656 17.044 -13.318 1.00 29.99 C ATOM 568 O GLU A 76 22.691 17.493 -12.185 1.00 28.12 O ATOM 569 CB GLU A 76 23.106 19.062 -14.662 1.00 34.73 C ATOM 570 CG GLU A 76 22.780 19.914 -15.880 1.00 38.72 C ATOM 571 CD GLU A 76 24.011 20.533 -16.492 1.00 42.44 C ATOM 572 OE1 GLU A 76 24.269 20.284 -17.683 1.00 49.45 O ATOM 573 OE2 GLU A 76 24.735 21.253 -15.780 1.00 44.96 O ATOM 574 H GLU A 76 20.631 19.461 -14.147 1.00 0.00 H ATOM 575 N PHE A 77 23.045 15.818 -13.641 1.00 29.49 N ATOM 576 CA PHE A 77 23.647 14.873 -12.690 1.00 29.07 C ATOM 577 C PHE A 77 22.756 14.533 -11.497 1.00 25.88 C ATOM 578 O PHE A 77 23.253 14.094 -10.488 1.00 24.25 O ATOM 579 CB PHE A 77 25.000 15.380 -12.158 1.00 30.41 C ATOM 580 CG PHE A 77 25.951 15.853 -13.212 1.00 34.02 C ATOM 581 CD1 PHE A 77 26.563 14.960 -14.051 1.00 36.72 C ATOM 582 CD2 PHE A 77 26.255 17.207 -13.324 1.00 34.92 C ATOM 583 CE1 PHE A 77 27.492 15.390 -15.001 1.00 39.18 C ATOM 584 CE2 PHE A 77 27.179 17.648 -14.264 1.00 37.68 C ATOM 585 CZ PHE A 77 27.799 16.741 -15.101 1.00 38.93 C ATOM 586 H PHE A 77 22.917 15.507 -14.625 1.00 0.00 H ATOM 587 N SER A 78 21.434 14.674 -11.610 1.00 24.29 N ATOM 588 CA SER A 78 20.595 14.443 -10.474 1.00 22.52 C ATOM 589 C SER A 78 20.691 13.002 -10.029 1.00 22.39 C ATOM 590 O SER A 78 20.578 12.076 -10.834 1.00 23.33 O ATOM 591 CB SER A 78 19.112 14.738 -10.792 1.00 22.63 C ATOM 592 OG SER A 78 18.337 14.515 -9.653 1.00 22.05 O ATOM 593 HG SER A 78 17.387 14.705 -9.859 1.00 0.00 H ATOM 594 H SER A 78 21.015 14.951 -12.521 1.00 0.00 H ATOM 595 N TRP A 79 20.858 12.825 -8.727 1.00 21.62 N ATOM 596 CA TRP A 79 20.878 11.503 -8.099 1.00 21.98 C ATOM 597 C TRP A 79 19.521 10.827 -8.007 1.00 22.71 C ATOM 598 O TRP A 79 19.454 9.637 -7.674 1.00 23.48 O ATOM 599 CB TRP A 79 21.482 11.618 -6.695 1.00 21.41 C ATOM 600 CG TRP A 79 22.898 12.063 -6.695 1.00 21.34 C ATOM 601 CD1 TRP A 79 23.918 11.592 -7.460 1.00 23.03 C ATOM 602 CD2 TRP A 79 23.454 13.056 -5.840 1.00 20.89 C ATOM 603 NE1 TRP A 79 25.099 12.243 -7.132 1.00 22.48 N ATOM 604 CE2 TRP A 79 24.838 13.130 -6.118 1.00 21.38 C ATOM 605 CE3 TRP A 79 22.929 13.881 -4.854 1.00 19.89 C ATOM 606 CZ2 TRP A 79 25.657 14.002 -5.465 1.00 21.00 C ATOM 607 CZ3 TRP A 79 23.765 14.748 -4.193 1.00 19.73 C ATOM 608 CH2 TRP A 79 25.133 14.800 -4.515 1.00 20.41 C ATOM 609 HE1 TRP A 79 26.025 12.085 -7.579 1.00 0.00 H ATOM 610 H TRP A 79 20.980 13.663 -8.124 1.00 0.00 H ATOM 611 N PHE A 80 18.445 11.567 -8.283 1.00 21.81 N ATOM 612 CA PHE A 80 17.087 11.071 -8.141 1.00 22.37 C ATOM 613 C PHE A 80 16.363 11.327 -9.442 1.00 23.25 C ATOM 614 O PHE A 80 16.167 12.476 -9.844 1.00 22.28 O ATOM 615 CB PHE A 80 16.395 11.760 -6.959 1.00 21.51 C ATOM 616 CG PHE A 80 17.106 11.548 -5.662 1.00 21.32 C ATOM 617 CD1 PHE A 80 16.876 10.396 -4.931 1.00 22.42 C ATOM 618 CD2 PHE A 80 17.989 12.484 -5.179 1.00 20.86 C ATOM 619 CE1 PHE A 80 17.502 10.186 -3.715 1.00 22.29 C ATOM 620 CE2 PHE A 80 18.644 12.270 -3.967 1.00 20.65 C ATOM 621 CZ PHE A 80 18.388 11.125 -3.235 1.00 21.17 C ATOM 622 H PHE A 80 18.585 12.543 -8.615 1.00 0.00 H ATOM 623 N LYS A 81 15.983 10.227 -10.103 1.00 25.34 N ATOM 624 CA LYS A 81 15.428 10.296 -11.457 1.00 26.94 C ATOM 625 C LYS A 81 14.146 11.087 -11.447 1.00 25.38 C ATOM 626 O LYS A 81 13.285 10.879 -10.586 1.00 25.49 O ATOM 627 CB LYS A 81 15.168 8.882 -12.009 1.00 30.19 C ATOM 628 CG LYS A 81 14.637 8.833 -13.442 1.00 33.67 C ATOM 629 CD LYS A 81 14.151 7.422 -13.742 1.00 36.57 C ATOM 630 CE LYS A 81 13.884 7.196 -15.212 1.00 38.95 C ATOM 631 NZ LYS A 81 13.598 5.754 -15.468 1.00 41.71 N ATOM 632 HZ1 LYS A 81 14.417 5.183 -15.178 1.00 0.00 H ATOM 633 HZ2 LYS A 81 12.762 5.465 -14.921 1.00 0.00 H ATOM 634 HZ3 LYS A 81 13.416 5.613 -16.482 1.00 0.00 H ATOM 635 H LYS A 81 16.084 9.299 -9.644 1.00 0.00 H ATOM 636 N GLY A 82 14.035 12.018 -12.383 1.00 25.26 N ATOM 637 CA GLY A 82 12.813 12.831 -12.519 1.00 24.83 C ATOM 638 C GLY A 82 12.808 14.106 -11.706 1.00 23.75 C ATOM 639 O GLY A 82 11.895 14.890 -11.857 1.00 23.42 O ATOM 640 H GLY A 82 14.828 12.179 -13.037 1.00 0.00 H ATOM 641 N TYR A 83 13.859 14.351 -10.908 1.00 22.10 N ATOM 642 CA TYR A 83 13.940 15.549 -10.061 1.00 21.18 C ATOM 643 C TYR A 83 15.038 16.478 -10.472 1.00 21.44 C ATOM 644 O TYR A 83 16.098 16.028 -10.930 1.00 22.08 O ATOM 645 CB TYR A 83 14.156 15.161 -8.621 1.00 19.94 C ATOM 646 CG TYR A 83 13.057 14.372 -8.025 1.00 19.65 C ATOM 647 CD1 TYR A 83 11.992 14.994 -7.406 1.00 19.61 C ATOM 648 CD2 TYR A 83 13.083 12.998 -8.052 1.00 19.90 C ATOM 649 CE1 TYR A 83 10.970 14.252 -6.811 1.00 19.99 C ATOM 650 CE2 TYR A 83 12.078 12.244 -7.472 1.00 20.76 C ATOM 651 CZ TYR A 83 11.002 12.892 -6.876 1.00 20.55 C ATOM 652 OH TYR A 83 10.004 12.146 -6.325 1.00 21.92 O ATOM 653 HH TYR A 83 9.316 12.747 -5.944 1.00 0.00 H ATOM 654 H TYR A 83 14.644 13.669 -10.888 1.00 0.00 H ATOM 655 N ASP A 84 14.750 17.768 -10.356 1.00 21.95 N ATOM 656 CA ASP A 84 15.718 18.828 -10.569 1.00 22.88 C ATOM 657 C ASP A 84 16.103 19.322 -9.196 1.00 21.97 C ATOM 658 O ASP A 84 15.290 19.290 -8.274 1.00 21.47 O ATOM 659 CB ASP A 84 15.057 19.930 -11.376 1.00 24.92 C ATOM 660 CG ASP A 84 14.421 19.368 -12.649 1.00 27.46 C ATOM 661 OD1 ASP A 84 15.176 18.695 -13.365 1.00 29.65 O ATOM 662 OD2 ASP A 84 13.188 19.537 -12.934 1.00 31.63 O ATOM 663 H ASP A 84 13.778 18.034 -10.099 1.00 0.00 H ATOM 664 N TRP A 85 17.328 19.796 -9.053 1.00 21.24 N ATOM 665 CA TRP A 85 17.845 20.201 -7.720 1.00 20.82 C ATOM 666 C TRP A 85 18.251 21.670 -7.676 1.00 20.72 C ATOM 667 O TRP A 85 18.612 22.265 -8.699 1.00 21.81 O ATOM 668 CB TRP A 85 19.030 19.338 -7.299 1.00 20.87 C ATOM 669 CG TRP A 85 20.132 19.269 -8.295 1.00 21.27 C ATOM 670 CD1 TRP A 85 20.292 18.310 -9.248 1.00 22.08 C ATOM 671 CD2 TRP A 85 21.217 20.204 -8.480 1.00 22.39 C ATOM 672 NE1 TRP A 85 21.382 18.596 -10.017 1.00 23.35 N ATOM 673 CE2 TRP A 85 21.956 19.761 -9.585 1.00 23.46 C ATOM 674 CE3 TRP A 85 21.618 21.398 -7.832 1.00 22.49 C ATOM 675 CZ2 TRP A 85 23.067 20.442 -10.048 1.00 24.33 C ATOM 676 CZ3 TRP A 85 22.725 22.076 -8.301 1.00 23.92 C ATOM 677 CH2 TRP A 85 23.449 21.583 -9.377 1.00 24.62 C ATOM 678 HE1 TRP A 85 21.724 18.017 -10.810 1.00 0.00 H ATOM 679 H TRP A 85 17.941 19.887 -9.888 1.00 0.00 H ATOM 680 N THR A 86 18.191 22.222 -6.460 1.00 20.66 N ATOM 681 CA THR A 86 18.739 23.537 -6.128 1.00 20.95 C ATOM 682 C THR A 86 19.564 23.342 -4.868 1.00 20.32 C ATOM 683 O THR A 86 19.202 22.559 -3.992 1.00 19.78 O ATOM 684 CB THR A 86 17.686 24.615 -5.840 1.00 21.57 C ATOM 685 OG1 THR A 86 16.751 24.151 -4.855 1.00 21.27 O ATOM 686 CG2 THR A 86 16.973 25.052 -7.131 1.00 22.63 C ATOM 687 HG1 THR A 86 16.079 24.857 -4.681 1.00 0.00 H ATOM 688 H THR A 86 17.725 21.683 -5.702 1.00 0.00 H ATOM 689 N ILE A 87 20.678 24.050 -4.788 1.00 20.23 N ATOM 690 CA ILE A 87 21.525 23.999 -3.586 1.00 19.97 C ATOM 691 C ILE A 87 20.745 24.582 -2.407 1.00 19.32 C ATOM 692 O ILE A 87 20.096 25.653 -2.538 1.00 20.32 O ATOM 693 CB ILE A 87 22.805 24.817 -3.825 1.00 21.39 C ATOM 694 CG1 ILE A 87 23.660 24.079 -4.836 1.00 22.80 C ATOM 695 CG2 ILE A 87 23.562 25.058 -2.521 1.00 21.25 C ATOM 696 CD1 ILE A 87 24.688 24.992 -5.489 1.00 25.15 C ATOM 697 H ILE A 87 20.960 24.652 -5.587 1.00 0.00 H ATOM 698 N ALA A 88 20.824 23.893 -1.260 1.00 17.99 N ATOM 699 CA ALA A 88 20.196 24.332 -0.034 1.00 17.70 C ATOM 700 C ALA A 88 21.302 24.702 0.950 1.00 17.52 C ATOM 701 O ALA A 88 22.076 23.830 1.382 1.00 17.68 O ATOM 702 CB ALA A 88 19.358 23.221 0.549 1.00 17.48 C ATOM 703 H ALA A 88 21.361 23.003 -1.252 1.00 0.00 H ATOM 704 N LEU A 89 21.344 25.972 1.306 1.00 17.79 N ATOM 705 CA LEU A 89 22.268 26.439 2.361 1.00 18.19 C ATOM 706 C LEU A 89 21.524 26.631 3.677 1.00 18.19 C ATOM 707 O LEU A 89 20.308 26.892 3.701 1.00 18.38 O ATOM 708 CB LEU A 89 22.853 27.768 1.957 1.00 19.38 C ATOM 709 CG LEU A 89 23.589 27.856 0.635 1.00 20.21 C ATOM 710 CD1 LEU A 89 24.147 29.269 0.493 1.00 22.02 C ATOM 711 CD2 LEU A 89 24.667 26.768 0.540 1.00 19.68 C ATOM 712 H LEU A 89 20.717 26.656 0.836 1.00 0.00 H ATOM 713 N CYS A 90 22.239 26.508 4.774 1.00 18.01 N ATOM 714 CA CYS A 90 21.672 26.979 6.037 1.00 18.08 C ATOM 715 C CYS A 90 21.324 28.441 5.893 1.00 18.76 C ATOM 716 O CYS A 90 22.162 29.265 5.488 1.00 19.09 O ATOM 717 CB CYS A 90 22.677 26.800 7.178 1.00 18.05 C ATOM 718 SG CYS A 90 22.109 27.465 8.754 1.00 18.37 S ATOM 719 H CYS A 90 23.188 26.084 4.744 1.00 0.00 H ATOM 720 N GLY A 91 20.063 28.795 6.220 1.00 18.67 N ATOM 721 CA GLY A 91 19.617 30.167 6.090 1.00 19.92 C ATOM 722 C GLY A 91 20.246 31.138 7.064 1.00 20.96 C ATOM 723 O GLY A 91 20.199 32.356 6.841 1.00 22.55 O ATOM 724 H GLY A 91 19.402 28.072 6.570 1.00 0.00 H ATOM 725 N GLN A 92 20.835 30.608 8.131 1.00 20.28 N ATOM 726 CA GLN A 92 21.440 31.417 9.149 1.00 21.21 C ATOM 727 C GLN A 92 22.916 31.651 8.841 1.00 21.21 C ATOM 728 O GLN A 92 23.346 32.796 8.754 1.00 22.66 O ATOM 729 CB GLN A 92 21.222 30.769 10.497 1.00 21.14 C ATOM 730 CG GLN A 92 21.714 31.559 11.683 1.00 22.29 C ATOM 731 CD GLN A 92 21.056 31.113 12.966 1.00 22.46 C ATOM 732 OE1 GLN A 92 20.165 31.791 13.411 1.00 23.65 O ATOM 733 NE2 GLN A 92 21.470 29.967 13.540 1.00 21.49 N ATOM 734 HE22 GLN A 92 22.245 29.421 13.112 1.00 0.00 H ATOM 735 HE21 GLN A 92 21.015 29.628 14.411 1.00 0.00 H ATOM 736 H GLN A 92 20.858 29.573 8.231 1.00 0.00 H ATOM 737 N CYS A 93 23.662 30.561 8.649 1.00 20.67 N ATOM 738 CA CYS A 93 25.139 30.650 8.537 1.00 20.82 C ATOM 739 C CYS A 93 25.720 30.408 7.141 1.00 20.66 C ATOM 740 O CYS A 93 26.907 30.671 6.949 1.00 21.16 O ATOM 741 CB CYS A 93 25.813 29.716 9.534 1.00 20.34 C ATOM 742 SG CYS A 93 25.896 27.974 9.035 1.00 19.18 S ATOM 743 H CYS A 93 23.200 29.632 8.577 1.00 0.00 H ATOM 744 N GLY A 94 24.900 29.938 6.190 1.00 20.31 N ATOM 745 CA GLY A 94 25.384 29.716 4.837 1.00 20.53 C ATOM 746 C GLY A 94 26.028 28.365 4.591 1.00 19.46 C ATOM 747 O GLY A 94 26.421 28.092 3.451 1.00 20.05 O ATOM 748 H GLY A 94 23.908 29.730 6.422 1.00 0.00 H ATOM 749 N SER A 95 26.128 27.506 5.602 1.00 19.09 N ATOM 750 CA SER A 95 26.695 26.153 5.446 1.00 18.89 C ATOM 751 C SER A 95 25.928 25.388 4.362 1.00 18.42 C ATOM 752 O SER A 95 24.705 25.445 4.311 1.00 17.81 O ATOM 753 CB SER A 95 26.623 25.377 6.745 1.00 19.42 C ATOM 754 OG SER A 95 27.119 24.028 6.594 1.00 20.35 O ATOM 755 HG SER A 95 28.064 24.056 6.301 1.00 0.00 H ATOM 756 H SER A 95 25.793 27.801 6.541 1.00 0.00 H ATOM 757 N HIS A 96 26.639 24.713 3.458 1.00 18.25 N ATOM 758 CA HIS A 96 25.919 23.900 2.444 1.00 17.74 C ATOM 759 C HIS A 96 25.389 22.626 3.055 1.00 16.96 C ATOM 760 O HIS A 96 26.148 21.728 3.400 1.00 17.68 O ATOM 761 CB HIS A 96 26.837 23.586 1.271 1.00 19.20 C ATOM 762 CG HIS A 96 26.194 22.719 0.256 1.00 19.36 C ATOM 763 ND1 HIS A 96 26.911 21.833 -0.511 1.00 21.09 N ATOM 764 CD2 HIS A 96 24.895 22.576 -0.113 1.00 19.89 C ATOM 765 CE1 HIS A 96 26.087 21.211 -1.340 1.00 21.05 C ATOM 766 NE2 HIS A 96 24.861 21.612 -1.086 1.00 20.39 N ATOM 767 H HIS A 96 27.678 24.755 3.463 1.00 0.00 H ATOM 768 N LEU A 97 24.080 22.535 3.227 1.00 15.72 N ATOM 769 CA LEU A 97 23.483 21.402 3.933 1.00 15.98 C ATOM 770 C LEU A 97 22.917 20.315 3.049 1.00 15.79 C ATOM 771 O LEU A 97 22.701 19.187 3.513 1.00 16.34 O ATOM 772 CB LEU A 97 22.397 21.865 4.895 1.00 16.82 C ATOM 773 CG LEU A 97 22.911 22.788 6.007 1.00 17.93 C ATOM 774 CD1 LEU A 97 21.791 23.054 6.980 1.00 18.66 C ATOM 775 CD2 LEU A 97 24.085 22.197 6.733 1.00 18.42 C ATOM 776 H LEU A 97 23.464 23.284 2.853 1.00 0.00 H ATOM 777 N GLY A 98 22.655 20.646 1.788 1.00 16.04 N ATOM 778 CA GLY A 98 22.164 19.662 0.859 1.00 15.81 C ATOM 779 C GLY A 98 21.515 20.300 -0.340 1.00 16.03 C ATOM 780 O GLY A 98 22.031 21.286 -0.902 1.00 16.59 O ATOM 781 H GLY A 98 22.806 21.625 1.470 1.00 0.00 H ATOM 782 N TRP A 99 20.416 19.721 -0.765 1.00 16.34 N ATOM 783 CA TRP A 99 19.725 20.119 -2.002 1.00 16.86 C ATOM 784 C TRP A 99 18.229 19.985 -1.799 1.00 17.26 C ATOM 785 O TRP A 99 17.784 19.136 -1.054 1.00 17.06 O ATOM 786 CB TRP A 99 20.139 19.228 -3.173 1.00 17.27 C ATOM 787 CG TRP A 99 21.641 19.254 -3.420 1.00 17.57 C ATOM 788 CD1 TRP A 99 22.302 20.091 -4.241 1.00 18.46 C ATOM 789 CD2 TRP A 99 22.637 18.475 -2.745 1.00 17.96 C ATOM 790 NE1 TRP A 99 23.658 19.872 -4.136 1.00 19.31 N ATOM 791 CE2 TRP A 99 23.877 18.863 -3.254 1.00 18.64 C ATOM 792 CE3 TRP A 99 22.589 17.471 -1.784 1.00 18.26 C ATOM 793 CZ2 TRP A 99 25.086 18.278 -2.828 1.00 19.49 C ATOM 794 CZ3 TRP A 99 23.786 16.886 -1.352 1.00 18.65 C ATOM 795 CH2 TRP A 99 25.022 17.322 -1.870 1.00 19.07 C ATOM 796 HE1 TRP A 99 24.395 20.395 -4.650 1.00 0.00 H ATOM 797 H TRP A 99 20.015 18.945 -0.201 1.00 0.00 H ATOM 798 N HIS A 100 17.459 20.845 -2.484 1.00 18.15 N ATOM 799 CA HIS A 100 16.036 20.654 -2.594 1.00 18.47 C ATOM 800 C HIS A 100 15.751 20.119 -3.978 1.00 18.43 C ATOM 801 O HIS A 100 16.294 20.629 -4.940 1.00 18.78 O ATOM 802 CB HIS A 100 15.301 21.971 -2.401 1.00 19.86 C ATOM 803 CG HIS A 100 13.807 21.833 -2.375 1.00 21.18 C ATOM 804 ND1 HIS A 100 12.981 22.482 -3.282 1.00 24.38 N ATOM 805 CD2 HIS A 100 13.002 21.100 -1.577 1.00 22.15 C ATOM 806 CE1 HIS A 100 11.726 22.164 -3.017 1.00 23.53 C ATOM 807 NE2 HIS A 100 11.709 21.340 -1.981 1.00 23.47 N ATOM 808 H HIS A 100 17.899 21.667 -2.945 1.00 0.00 H ATOM 809 N TYR A 101 14.879 19.116 -4.039 1.00 17.74 N ATOM 810 CA TYR A 101 14.513 18.445 -5.279 1.00 17.56 C ATOM 811 C TYR A 101 13.070 18.764 -5.608 1.00 18.41 C ATOM 812 O TYR A 101 12.237 18.835 -4.718 1.00 17.62 O ATOM 813 CB TYR A 101 14.695 16.932 -5.131 1.00 17.08 C ATOM 814 CG TYR A 101 16.157 16.558 -5.065 1.00 16.90 C ATOM 815 CD1 TYR A 101 16.878 16.336 -6.227 1.00 17.25 C ATOM 816 CD2 TYR A 101 16.801 16.508 -3.855 1.00 16.58 C ATOM 817 CE1 TYR A 101 18.253 16.000 -6.161 1.00 17.32 C ATOM 818 CE2 TYR A 101 18.162 16.163 -3.772 1.00 16.62 C ATOM 819 CZ TYR A 101 18.863 15.952 -4.935 1.00 17.42 C ATOM 820 OH TYR A 101 20.205 15.622 -4.876 1.00 18.48 O ATOM 821 HH TYR A 101 20.556 15.506 -5.794 1.00 0.00 H ATOM 822 H TYR A 101 14.435 18.794 -3.155 1.00 0.00 H ATOM 823 N GLU A 102 12.805 19.004 -6.876 1.00 19.52 N ATOM 824 CA GLU A 102 11.479 19.376 -7.351 1.00 20.90 C ATOM 825 C GLU A 102 11.262 18.853 -8.747 1.00 20.91 C ATOM 826 O GLU A 102 12.192 18.401 -9.410 1.00 21.01 O ATOM 827 CB GLU A 102 11.264 20.875 -7.330 1.00 23.75 C ATOM 828 CG GLU A 102 12.101 21.692 -8.281 1.00 27.51 C ATOM 829 CD GLU A 102 11.973 23.165 -7.919 1.00 31.80 C ATOM 830 OE1 GLU A 102 12.809 23.673 -7.142 1.00 36.82 O ATOM 831 OE2 GLU A 102 10.983 23.789 -8.332 1.00 35.99 O ATOM 832 H GLU A 102 13.577 18.924 -7.569 1.00 0.00 H ATOM 833 N GLY A 103 10.017 18.933 -9.192 1.00 20.85 N ATOM 834 CA GLY A 103 9.707 18.603 -10.575 1.00 21.51 C ATOM 835 C GLY A 103 9.390 17.146 -10.844 1.00 21.48 C ATOM 836 O GLY A 103 9.137 16.792 -11.979 1.00 21.96 O ATOM 837 H GLY A 103 9.257 19.233 -8.549 1.00 0.00 H ATOM 838 N GLY A 104 9.367 16.314 -9.793 1.00 20.79 N ATOM 839 CA GLY A 104 9.194 14.873 -9.941 1.00 21.60 C ATOM 840 C GLY A 104 7.789 14.422 -9.600 1.00 22.54 C ATOM 841 O GLY A 104 6.845 15.207 -9.679 1.00 22.23 O ATOM 842 H GLY A 104 9.476 16.710 -8.838 1.00 0.00 H ATOM 843 N SER A 105 7.651 13.153 -9.185 1.00 23.51 N ATOM 844 CA SER A 105 6.331 12.581 -8.901 1.00 25.47 C ATOM 845 C SER A 105 6.407 11.700 -7.657 1.00 26.00 C ATOM 846 O SER A 105 7.334 10.918 -7.523 1.00 25.88 O ATOM 847 CB SER A 105 5.862 11.737 -10.075 1.00 27.31 C ATOM 848 OG SER A 105 5.928 12.389 -11.340 1.00 27.44 O ATOM 849 HG SER A 105 6.865 12.647 -11.528 1.00 0.00 H ATOM 850 H SER A 105 8.498 12.563 -9.062 1.00 0.00 H ATOM 851 N GLN A 106 5.453 11.860 -6.750 1.00 26.69 N ATOM 852 CA GLN A 106 5.289 10.954 -5.610 1.00 27.96 C ATOM 853 C GLN A 106 6.593 10.776 -4.810 1.00 26.82 C ATOM 854 O GLN A 106 7.131 9.676 -4.749 1.00 27.66 O ATOM 855 CB GLN A 106 4.722 9.600 -6.081 1.00 30.89 C ATOM 856 CG GLN A 106 3.889 8.975 -4.972 1.00 33.56 C ATOM 857 CD GLN A 106 3.043 7.772 -5.330 1.00 35.72 C ATOM 858 OE1 GLN A 106 2.616 7.554 -6.470 1.00 38.75 O ATOM 859 NE2 GLN A 106 2.720 7.013 -4.302 1.00 38.20 N ATOM 860 HE22 GLN A 106 3.099 7.228 -3.358 1.00 0.00 H ATOM 861 HE21 GLN A 106 2.086 6.199 -4.435 1.00 0.00 H ATOM 862 H GLN A 106 4.796 12.659 -6.852 1.00 0.00 H ATOM 863 N PRO A 107 7.104 11.840 -4.194 1.00 25.06 N ATOM 864 CA PRO A 107 6.500 13.137 -4.096 1.00 24.80 C ATOM 865 C PRO A 107 6.985 14.073 -5.189 1.00 23.32 C ATOM 866 O PRO A 107 7.985 13.785 -5.848 1.00 21.89 O ATOM 867 CB PRO A 107 7.014 13.627 -2.732 1.00 25.09 C ATOM 868 CG PRO A 107 8.360 13.061 -2.652 1.00 24.11 C ATOM 869 CD PRO A 107 8.252 11.724 -3.280 1.00 24.89 C ATOM 870 N GLN A 108 6.315 15.217 -5.323 1.00 22.41 N ATOM 871 CA GLN A 108 6.790 16.204 -6.299 1.00 22.38 C ATOM 872 C GLN A 108 8.124 16.818 -5.852 1.00 20.77 C ATOM 873 O GLN A 108 8.960 17.154 -6.697 1.00 19.65 O ATOM 874 CB GLN A 108 5.770 17.296 -6.522 1.00 23.46 C ATOM 875 CG GLN A 108 4.536 16.798 -7.288 1.00 25.23 C ATOM 876 CD GLN A 108 3.497 17.887 -7.466 1.00 26.98 C ATOM 877 OE1 GLN A 108 3.215 18.627 -6.532 1.00 28.65 O ATOM 878 NE2 GLN A 108 2.920 17.982 -8.645 1.00 28.50 N ATOM 879 HE22 GLN A 108 3.191 17.332 -9.410 1.00 0.00 H ATOM 880 HE21 GLN A 108 2.193 18.707 -8.811 1.00 0.00 H ATOM 881 H GLN A 108 5.471 15.407 -4.746 1.00 0.00 H ATOM 882 N THR A 109 8.278 17.004 -4.546 1.00 20.53 N ATOM 883 CA THR A 109 9.463 17.649 -3.972 1.00 19.99 C ATOM 884 C THR A 109 9.929 16.934 -2.711 1.00 19.53 C ATOM 885 O THR A 109 9.154 16.248 -2.039 1.00 20.35 O ATOM 886 CB THR A 109 9.164 19.114 -3.564 1.00 21.58 C ATOM 887 OG1 THR A 109 8.225 19.133 -2.464 1.00 22.56 O ATOM 888 CG2 THR A 109 8.542 19.873 -4.687 1.00 22.82 C ATOM 889 HG1 THR A 109 8.613 18.650 -1.692 1.00 0.00 H ATOM 890 H THR A 109 7.527 16.679 -3.904 1.00 0.00 H ATOM 891 N PHE A 110 11.204 17.107 -2.396 1.00 18.23 N ATOM 892 CA PHE A 110 11.775 16.638 -1.129 1.00 17.88 C ATOM 893 C PHE A 110 13.139 17.275 -0.964 1.00 17.14 C ATOM 894 O PHE A 110 13.620 17.983 -1.859 1.00 17.30 O ATOM 895 CB PHE A 110 11.861 15.107 -1.094 1.00 18.28 C ATOM 896 CG PHE A 110 12.870 14.515 -2.032 1.00 18.01 C ATOM 897 CD1 PHE A 110 12.545 14.269 -3.352 1.00 18.51 C ATOM 898 CD2 PHE A 110 14.151 14.220 -1.603 1.00 17.92 C ATOM 899 CE1 PHE A 110 13.470 13.762 -4.246 1.00 18.48 C ATOM 900 CE2 PHE A 110 15.070 13.670 -2.489 1.00 17.86 C ATOM 901 CZ PHE A 110 14.724 13.449 -3.809 1.00 18.42 C ATOM 902 H PHE A 110 11.824 17.594 -3.074 1.00 0.00 H ATOM 903 N PHE A 111 13.737 17.037 0.209 1.00 16.70 N ATOM 904 CA PHE A 111 15.079 17.566 0.517 1.00 16.53 C ATOM 905 C PHE A 111 16.035 16.401 0.682 1.00 16.54 C ATOM 906 O PHE A 111 15.706 15.379 1.278 1.00 16.15 O ATOM 907 CB PHE A 111 15.092 18.382 1.799 1.00 17.31 C ATOM 908 CG PHE A 111 14.331 19.670 1.725 1.00 18.17 C ATOM 909 CD1 PHE A 111 12.968 19.711 1.975 1.00 19.83 C ATOM 910 CD2 PHE A 111 14.997 20.838 1.427 1.00 19.61 C ATOM 911 CE1 PHE A 111 12.277 20.888 1.881 1.00 20.56 C ATOM 912 CE2 PHE A 111 14.303 22.042 1.378 1.00 20.50 C ATOM 913 CZ PHE A 111 12.960 22.063 1.596 1.00 21.06 C ATOM 914 H PHE A 111 13.243 16.464 0.922 1.00 0.00 H ATOM 915 N GLY A 112 17.245 16.535 0.101 1.00 16.09 N ATOM 916 CA GLY A 112 18.313 15.585 0.355 1.00 16.84 C ATOM 917 C GLY A 112 19.373 16.319 1.141 1.00 16.87 C ATOM 918 O GLY A 112 19.999 17.247 0.586 1.00 18.72 O ATOM 919 H GLY A 112 17.416 17.335 -0.542 1.00 0.00 H ATOM 920 N LEU A 113 19.559 15.960 2.419 1.00 16.04 N ATOM 921 CA LEU A 113 20.452 16.709 3.302 1.00 15.98 C ATOM 922 C LEU A 113 21.635 15.828 3.657 1.00 16.38 C ATOM 923 O LEU A 113 21.509 14.607 3.788 1.00 16.29 O ATOM 924 CB LEU A 113 19.733 17.177 4.558 1.00 16.35 C ATOM 925 CG LEU A 113 18.505 18.065 4.290 1.00 16.50 C ATOM 926 CD1 LEU A 113 17.837 18.467 5.606 1.00 17.58 C ATOM 927 CD2 LEU A 113 18.884 19.275 3.433 1.00 16.54 C ATOM 928 H LEU A 113 19.056 15.129 2.791 1.00 0.00 H ATOM 929 N ILE A 114 22.786 16.462 3.831 1.00 16.77 N ATOM 930 CA ILE A 114 24.031 15.723 4.091 1.00 17.50 C ATOM 931 C ILE A 114 24.104 15.403 5.590 1.00 18.16 C ATOM 932 O ILE A 114 24.211 16.309 6.424 1.00 18.20 O ATOM 933 CB ILE A 114 25.235 16.567 3.637 1.00 17.47 C ATOM 934 CG1 ILE A 114 25.152 16.928 2.159 1.00 17.78 C ATOM 935 CG2 ILE A 114 26.563 15.843 3.910 1.00 18.06 C ATOM 936 CD1 ILE A 114 25.941 18.177 1.801 1.00 18.12 C ATOM 937 H ILE A 114 22.809 17.501 3.783 1.00 0.00 H ATOM 938 N LYS A 115 24.049 14.119 5.922 1.00 19.29 N ATOM 939 CA LYS A 115 23.879 13.669 7.311 1.00 20.71 C ATOM 940 C LYS A 115 24.912 14.280 8.249 1.00 20.54 C ATOM 941 O LYS A 115 24.564 14.776 9.302 1.00 21.37 O ATOM 942 CB LYS A 115 23.888 12.127 7.419 1.00 22.09 C ATOM 943 CG LYS A 115 23.648 11.589 8.829 1.00 23.37 C ATOM 944 CD LYS A 115 24.405 10.308 9.143 1.00 24.62 C ATOM 945 CE LYS A 115 24.008 9.697 10.492 1.00 25.26 C ATOM 946 NZ LYS A 115 25.150 9.533 11.457 1.00 24.93 N ATOM 947 HZ1 LYS A 115 25.869 8.908 11.039 1.00 0.00 H ATOM 948 HZ2 LYS A 115 25.571 10.463 11.656 1.00 0.00 H ATOM 949 HZ3 LYS A 115 24.797 9.115 12.342 1.00 0.00 H ATOM 950 H LYS A 115 24.129 13.404 5.171 1.00 0.00 H ATOM 951 N ASP A 116 26.180 14.256 7.847 1.00 20.62 N ATOM 952 CA ASP A 116 27.282 14.733 8.724 1.00 21.24 C ATOM 953 C ASP A 116 27.356 16.239 8.872 1.00 20.62 C ATOM 954 O ASP A 116 28.206 16.739 9.628 1.00 21.21 O ATOM 955 CB ASP A 116 28.654 14.138 8.338 1.00 22.24 C ATOM 956 CG ASP A 116 29.019 14.346 6.895 1.00 22.83 C ATOM 957 OD1 ASP A 116 28.360 13.726 6.048 1.00 22.61 O ATOM 958 OD2 ASP A 116 29.991 15.090 6.632 1.00 24.33 O ATOM 959 H ASP A 116 26.406 13.895 6.898 1.00 0.00 H ATOM 960 N ARG A 117 26.500 16.971 8.159 1.00 19.21 N ATOM 961 CA ARG A 117 26.413 18.418 8.299 1.00 19.56 C ATOM 962 C ARG A 117 25.277 18.877 9.211 1.00 18.41 C ATOM 963 O ARG A 117 25.058 20.082 9.394 1.00 18.12 O ATOM 964 CB ARG A 117 26.334 19.078 6.926 1.00 20.30 C ATOM 965 CG ARG A 117 27.597 18.741 6.165 1.00 21.72 C ATOM 966 CD ARG A 117 27.761 19.511 4.888 1.00 22.50 C ATOM 967 NE ARG A 117 28.873 18.996 4.087 1.00 22.85 N ATOM 968 CZ ARG A 117 29.268 19.526 2.923 1.00 24.88 C ATOM 969 NH1 ARG A 117 28.662 20.598 2.399 1.00 24.91 N ATOM 970 NH2 ARG A 117 30.296 19.014 2.256 1.00 25.47 N ATOM 971 HE ARG A 117 29.388 18.166 4.445 1.00 0.00 H ATOM 972 HH12 ARG A 117 28.990 20.989 1.493 1.00 0.00 H ATOM 973 HH11 ARG A 117 27.864 21.040 2.898 1.00 0.00 H ATOM 974 HH22 ARG A 117 30.592 19.436 1.353 1.00 0.00 H ATOM 975 HH21 ARG A 117 30.805 18.191 2.637 1.00 0.00 H ATOM 976 H ARG A 117 25.874 16.493 7.480 1.00 0.00 H ATOM 977 N LEU A 118 24.556 17.913 9.758 1.00 18.28 N ATOM 978 CA LEU A 118 23.448 18.129 10.686 1.00 18.35 C ATOM 979 C LEU A 118 23.811 17.579 12.057 1.00 18.74 C ATOM 980 O LEU A 118 24.562 16.611 12.171 1.00 19.77 O ATOM 981 CB LEU A 118 22.196 17.425 10.170 1.00 18.53 C ATOM 982 CG LEU A 118 21.676 17.804 8.775 1.00 18.74 C ATOM 983 CD1 LEU A 118 20.497 16.949 8.397 1.00 19.34 C ATOM 984 CD2 LEU A 118 21.282 19.261 8.758 1.00 18.61 C ATOM 985 H LEU A 118 24.794 16.931 9.510 1.00 0.00 H ATOM 986 N ALA A 119 23.256 18.181 13.108 1.00 18.84 N ATOM 987 CA ALA A 119 23.342 17.626 14.462 1.00 18.96 C ATOM 988 C ALA A 119 21.960 17.230 14.935 1.00 19.80 C ATOM 989 O ALA A 119 21.013 18.016 14.806 1.00 20.20 O ATOM 990 CB ALA A 119 23.938 18.626 15.394 1.00 19.40 C ATOM 991 H ALA A 119 22.745 19.075 12.963 1.00 0.00 H ATOM 992 N GLU A 120 21.841 15.996 15.390 1.00 20.19 N ATOM 993 CA GLU A 120 20.556 15.435 15.806 1.00 21.58 C ATOM 994 C GLU A 120 20.396 15.522 17.326 1.00 22.08 C ATOM 995 O GLU A 120 21.320 15.205 18.072 1.00 21.34 O ATOM 996 CB GLU A 120 20.462 13.982 15.341 1.00 23.33 C ATOM 997 CG GLU A 120 19.069 13.398 15.553 1.00 26.09 C ATOM 998 CD GLU A 120 18.871 12.038 14.876 1.00 27.85 C ATOM 999 OE1 GLU A 120 19.857 11.459 14.358 1.00 30.04 O ATOM 1000 OE2 GLU A 120 17.704 11.575 14.838 1.00 29.89 O ATOM 1001 H GLU A 120 22.692 15.402 15.455 1.00 0.00 H ATOM 1002 N GLY A 121 19.221 15.902 17.800 1.00 22.38 N ATOM 1003 CA GLY A 121 19.054 16.084 19.226 1.00 23.73 C ATOM 1004 C GLY A 121 17.620 16.293 19.636 1.00 24.82 C ATOM 1005 O GLY A 121 16.717 16.159 18.812 1.00 24.39 O ATOM 1006 H GLY A 121 18.424 16.069 17.153 1.00 0.00 H ATOM 1007 N PRO A 122 17.414 16.580 20.915 1.00 27.20 N ATOM 1008 CA PRO A 122 16.054 16.656 21.448 1.00 29.48 C ATOM 1009 C PRO A 122 15.268 17.844 20.911 1.00 30.96 C ATOM 1010 O PRO A 122 15.850 18.864 20.550 1.00 30.97 O ATOM 1011 CB PRO A 122 16.273 16.793 22.958 1.00 30.86 C ATOM 1012 CG PRO A 122 17.664 17.284 23.124 1.00 29.74 C ATOM 1013 CD PRO A 122 18.442 16.815 21.950 1.00 27.79 C ATOM 1014 N ALA A 123 13.945 17.694 20.897 1.00 33.43 N ATOM 1015 CA ALA A 123 13.022 18.753 20.548 1.00 35.74 C ATOM 1016 C ALA A 123 12.856 19.690 21.743 1.00 39.24 C ATOM 1017 O ALA A 123 13.511 20.725 21.806 1.00 42.52 O ATOM 1018 CB ALA A 123 11.668 18.158 20.176 1.00 37.19 C ATOM 1019 H ALA A 123 13.553 16.765 21.151 1.00 0.00 H TER 1020 ALA A 123 ATOM 1021 N ALA B 19 45.716 -2.818 13.716 1.00 55.02 N ATOM 1022 CA ALA B 19 44.741 -2.618 14.818 1.00 53.35 C ATOM 1023 C ALA B 19 45.170 -1.425 15.649 1.00 50.44 C ATOM 1024 O ALA B 19 45.775 -1.574 16.718 1.00 54.22 O ATOM 1025 CB ALA B 19 44.623 -3.873 15.679 1.00 53.88 C ATOM 1026 HN3 ALA B 19 46.660 -2.991 14.117 1.00 0.00 H ATOM 1027 HN2 ALA B 19 45.742 -1.967 13.119 1.00 0.00 H ATOM 1028 HN1 ALA B 19 45.426 -3.636 13.142 1.00 0.00 H ATOM 1029 N SER B 20 44.863 -0.243 15.137 1.00 45.78 N ATOM 1030 CA SER B 20 45.189 0.981 15.848 1.00 42.20 C ATOM 1031 C SER B 20 44.326 1.203 17.088 1.00 37.58 C ATOM 1032 O SER B 20 43.239 0.595 17.258 1.00 36.17 O ATOM 1033 CB SER B 20 45.047 2.189 14.955 1.00 42.80 C ATOM 1034 OG SER B 20 43.754 2.305 14.489 1.00 42.06 O ATOM 1035 HG SER B 20 43.685 3.103 13.907 1.00 0.00 H ATOM 1036 H SER B 20 44.383 -0.190 14.216 1.00 0.00 H ATOM 1037 N ILE B 21 44.815 2.115 17.922 1.00 35.23 N ATOM 1038 CA ILE B 21 44.117 2.405 19.169 1.00 32.67 C ATOM 1039 C ILE B 21 43.854 3.885 19.302 1.00 29.90 C ATOM 1040 O ILE B 21 44.512 4.724 18.653 1.00 29.46 O ATOM 1041 CB ILE B 21 44.878 1.881 20.388 1.00 35.06 C ATOM 1042 CG1 ILE B 21 46.220 2.620 20.551 1.00 37.66 C ATOM 1043 CG2 ILE B 21 45.043 0.351 20.280 1.00 36.32 C ATOM 1044 CD1 ILE B 21 46.813 2.607 21.932 1.00 39.74 C ATOM 1045 H ILE B 21 45.693 2.620 17.686 1.00 0.00 H ATOM 1046 N PHE B 22 42.888 4.200 20.151 1.00 26.75 N ATOM 1047 CA PHE B 22 42.525 5.575 20.446 1.00 25.91 C ATOM 1048 C PHE B 22 42.948 5.874 21.875 1.00 26.82 C ATOM 1049 O PHE B 22 42.561 5.158 22.790 1.00 25.52 O ATOM 1050 CB PHE B 22 41.021 5.768 20.294 1.00 24.39 C ATOM 1051 CG PHE B 22 40.553 5.716 18.878 1.00 24.16 C ATOM 1052 CD1 PHE B 22 40.523 6.872 18.107 1.00 24.95 C ATOM 1053 CD2 PHE B 22 40.177 4.516 18.295 1.00 24.42 C ATOM 1054 CE1 PHE B 22 40.116 6.818 16.767 1.00 24.77 C ATOM 1055 CE2 PHE B 22 39.750 4.464 16.983 1.00 24.42 C ATOM 1056 CZ PHE B 22 39.736 5.611 16.215 1.00 24.62 C ATOM 1057 H PHE B 22 42.369 3.433 20.625 1.00 0.00 H ATOM 1058 N ARG B 23 43.721 6.944 22.054 1.00 28.22 N ATOM 1059 CA ARG B 23 44.198 7.357 23.352 1.00 30.41 C ATOM 1060 C ARG B 23 43.566 8.668 23.725 1.00 30.44 C ATOM 1061 O ARG B 23 43.155 9.416 22.849 1.00 30.08 O ATOM 1062 CB ARG B 23 45.722 7.504 23.344 1.00 33.54 C ATOM 1063 CG ARG B 23 46.477 6.214 23.027 1.00 35.37 C ATOM 1064 CD ARG B 23 47.985 6.478 23.044 1.00 39.55 C ATOM 1065 NE ARG B 23 48.774 5.253 22.952 1.00 41.75 N ATOM 1066 CZ ARG B 23 49.026 4.420 23.965 1.00 44.52 C ATOM 1067 NH1 ARG B 23 48.550 4.630 25.205 1.00 43.91 N ATOM 1068 NH2 ARG B 23 49.770 3.328 23.739 1.00 46.82 N ATOM 1069 HE ARG B 23 49.172 5.009 22.023 1.00 0.00 H ATOM 1070 HH12 ARG B 23 48.769 3.957 25.967 1.00 0.00 H ATOM 1071 HH11 ARG B 23 47.963 5.465 25.402 1.00 0.00 H ATOM 1072 HH22 ARG B 23 49.976 2.669 24.517 1.00 0.00 H ATOM 1073 HH21 ARG B 23 50.141 3.140 22.786 1.00 0.00 H ATOM 1074 H ARG B 23 43.993 7.506 21.222 1.00 0.00 H ATOM 1075 N CYS B 24 43.455 8.929 25.027 1.00 31.31 N ATOM 1076 CA CYS B 24 42.995 10.231 25.509 1.00 33.04 C ATOM 1077 C CYS B 24 43.961 11.292 24.967 1.00 35.51 C ATOM 1078 O CYS B 24 45.185 11.172 25.109 1.00 35.98 O ATOM 1079 CB CYS B 24 43.043 10.253 27.038 1.00 35.49 C ATOM 1080 SG CYS B 24 42.710 11.841 27.789 1.00 37.52 S ATOM 1081 H CYS B 24 43.701 8.190 25.716 1.00 0.00 H ATOM 1082 N ARG B 25 43.419 12.312 24.318 1.00 35.90 N ATOM 1083 CA ARG B 25 44.260 13.328 23.678 1.00 39.79 C ATOM 1084 C ARG B 25 45.012 14.161 24.709 1.00 41.44 C ATOM 1085 O ARG B 25 46.068 14.705 24.403 1.00 43.85 O ATOM 1086 CB ARG B 25 43.382 14.204 22.809 1.00 40.05 C ATOM 1087 CG ARG B 25 44.083 15.294 22.075 1.00 43.77 C ATOM 1088 CD ARG B 25 43.095 15.900 21.065 1.00 43.90 C ATOM 1089 NE ARG B 25 42.889 15.077 19.876 1.00 44.35 N ATOM 1090 CZ ARG B 25 43.763 14.954 18.871 1.00 45.83 C ATOM 1091 NH1 ARG B 25 44.923 15.597 18.889 1.00 48.64 N ATOM 1092 NH2 ARG B 25 43.463 14.191 17.828 1.00 44.34 N ATOM 1093 HE ARG B 25 41.997 14.547 19.806 1.00 0.00 H ATOM 1094 HH12 ARG B 25 45.590 15.489 18.098 1.00 0.00 H ATOM 1095 HH11 ARG B 25 45.166 16.209 19.694 1.00 0.00 H ATOM 1096 HH22 ARG B 25 44.139 14.092 17.044 1.00 0.00 H ATOM 1097 HH21 ARG B 25 42.551 13.692 17.794 1.00 0.00 H ATOM 1098 H ARG B 25 42.384 12.393 24.262 1.00 0.00 H ATOM 1099 N GLN B 26 44.471 14.258 25.922 1.00 41.82 N ATOM 1100 CA GLN B 26 45.094 15.042 26.997 1.00 44.47 C ATOM 1101 C GLN B 26 46.211 14.342 27.758 1.00 44.75 C ATOM 1102 O GLN B 26 47.181 15.007 28.167 1.00 45.69 O ATOM 1103 CB GLN B 26 44.026 15.550 27.967 1.00 45.69 C ATOM 1104 CG GLN B 26 44.582 16.419 29.095 1.00 49.87 C ATOM 1105 CD GLN B 26 43.578 17.418 29.647 1.00 50.37 C ATOM 1106 OE1 GLN B 26 42.404 17.109 29.813 1.00 49.97 O ATOM 1107 NE2 GLN B 26 44.052 18.628 29.949 1.00 53.62 N ATOM 1108 HE22 GLN B 26 45.056 18.847 29.792 1.00 0.00 H ATOM 1109 HE21 GLN B 26 43.417 19.352 30.342 1.00 0.00 H ATOM 1110 H GLN B 26 43.577 13.762 26.115 1.00 0.00 H ATOM 1111 N CYS B 27 46.135 13.025 27.931 1.00 42.20 N ATOM 1112 CA CYS B 27 47.169 12.323 28.712 1.00 44.13 C ATOM 1113 C CYS B 27 47.778 11.050 28.121 1.00 43.63 C ATOM 1114 O CYS B 27 48.777 10.533 28.635 1.00 45.87 O ATOM 1115 CB CYS B 27 46.643 12.038 30.107 1.00 44.10 C ATOM 1116 SG CYS B 27 45.588 10.557 30.196 1.00 41.94 S ATOM 1117 H CYS B 27 45.346 12.491 27.515 1.00 0.00 H ATOM 1118 N GLY B 28 47.208 10.546 27.039 1.00 41.48 N ATOM 1119 CA GLY B 28 47.764 9.376 26.352 1.00 41.33 C ATOM 1120 C GLY B 28 47.281 8.029 26.851 1.00 40.07 C ATOM 1121 O GLY B 28 47.696 6.995 26.335 1.00 40.16 O ATOM 1122 H GLY B 28 46.345 10.990 26.667 1.00 0.00 H ATOM 1123 N GLN B 29 46.367 8.017 27.810 1.00 38.77 N ATOM 1124 CA GLN B 29 45.884 6.729 28.312 1.00 38.53 C ATOM 1125 C GLN B 29 45.196 6.009 27.141 1.00 35.18 C ATOM 1126 O GLN B 29 44.435 6.642 26.443 1.00 33.00 O ATOM 1127 CB GLN B 29 44.862 6.897 29.434 1.00 39.39 C ATOM 1128 CG GLN B 29 44.530 5.536 30.026 1.00 40.80 C ATOM 1129 CD GLN B 29 43.939 5.581 31.391 1.00 41.82 C ATOM 1130 OE1 GLN B 29 44.393 4.881 32.282 1.00 44.64 O ATOM 1131 NE2 GLN B 29 42.885 6.363 31.557 1.00 42.59 N ATOM 1132 HE22 GLN B 29 42.536 6.941 30.766 1.00 0.00 H ATOM 1133 HE21 GLN B 29 42.405 6.400 32.479 1.00 0.00 H ATOM 1134 H GLN B 29 45.999 8.908 28.200 1.00 0.00 H ATOM 1135 N THR B 30 45.437 4.713 26.925 1.00 33.62 N ATOM 1136 CA THR B 30 44.618 3.953 25.993 1.00 32.38 C ATOM 1137 C THR B 30 43.141 3.924 26.432 1.00 29.55 C ATOM 1138 O THR B 30 42.820 3.645 27.596 1.00 29.23 O ATOM 1139 CB THR B 30 45.162 2.534 25.827 1.00 33.87 C ATOM 1140 OG1 THR B 30 46.460 2.661 25.291 1.00 36.21 O ATOM 1141 CG2 THR B 30 44.365 1.685 24.843 1.00 33.29 C ATOM 1142 HG1 THR B 30 46.854 1.761 25.166 1.00 0.00 H ATOM 1143 H THR B 30 46.217 4.243 27.427 1.00 0.00 H ATOM 1144 N ILE B 31 42.254 4.218 25.475 1.00 27.04 N ATOM 1145 CA ILE B 31 40.812 4.276 25.774 1.00 25.57 C ATOM 1146 C ILE B 31 40.012 3.247 24.989 1.00 24.51 C ATOM 1147 O ILE B 31 39.168 2.538 25.552 1.00 24.01 O ATOM 1148 CB ILE B 31 40.233 5.688 25.515 1.00 25.50 C ATOM 1149 CG1 ILE B 31 40.955 6.742 26.354 1.00 27.32 C ATOM 1150 CG2 ILE B 31 38.708 5.714 25.782 1.00 24.45 C ATOM 1151 CD1 ILE B 31 40.813 6.617 27.849 1.00 27.86 C ATOM 1152 H ILE B 31 42.586 4.408 24.508 1.00 0.00 H ATOM 1153 N SER B 32 40.225 3.190 23.676 1.00 23.27 N ATOM 1154 CA SER B 32 39.516 2.207 22.868 1.00 22.73 C ATOM 1155 C SER B 32 40.311 1.838 21.628 1.00 24.28 C ATOM 1156 O SER B 32 41.495 2.176 21.521 1.00 24.37 O ATOM 1157 CB SER B 32 38.110 2.711 22.537 1.00 21.80 C ATOM 1158 OG SER B 32 37.286 1.666 22.103 1.00 21.63 O ATOM 1159 HG SER B 32 37.217 0.983 22.817 1.00 0.00 H ATOM 1160 H SER B 32 40.896 3.846 23.228 1.00 0.00 H ATOM 1161 N ARG B 33 39.682 1.077 20.743 1.00 25.02 N ATOM 1162 CA ARG B 33 40.397 0.477 19.615 1.00 27.60 C ATOM 1163 C ARG B 33 39.564 0.600 18.383 1.00 25.73 C ATOM 1164 O ARG B 33 38.370 0.456 18.454 1.00 23.28 O ATOM 1165 CB ARG B 33 40.666 -1.018 19.874 1.00 29.92 C ATOM 1166 CG ARG B 33 41.302 -1.357 21.216 1.00 33.27 C ATOM 1167 CD ARG B 33 41.611 -2.852 21.331 1.00 36.06 C ATOM 1168 NE ARG B 33 42.807 -3.188 20.550 1.00 41.03 N ATOM 1169 CZ ARG B 33 44.076 -2.982 20.920 1.00 43.56 C ATOM 1170 NH1 ARG B 33 44.380 -2.429 22.092 1.00 46.33 N ATOM 1171 NH2 ARG B 33 45.051 -3.326 20.098 1.00 46.51 N ATOM 1172 HE ARG B 33 42.654 -3.628 19.620 1.00 0.00 H ATOM 1173 HH12 ARG B 33 45.375 -2.280 22.354 1.00 0.00 H ATOM 1174 HH11 ARG B 33 43.622 -2.146 22.745 1.00 0.00 H ATOM 1175 HH22 ARG B 33 46.042 -3.171 20.373 1.00 0.00 H ATOM 1176 HH21 ARG B 33 44.828 -3.751 19.176 1.00 0.00 H ATOM 1177 H ARG B 33 38.662 0.903 20.852 1.00 0.00 H ATOM 1178 N ARG B 34 40.216 0.784 17.238 1.00 26.63 N ATOM 1179 CA ARG B 34 39.496 0.788 15.989 1.00 26.69 C ATOM 1180 C ARG B 34 38.681 -0.488 15.762 1.00 25.34 C ATOM 1181 O ARG B 34 37.581 -0.411 15.205 1.00 24.28 O ATOM 1182 CB ARG B 34 40.464 0.989 14.800 1.00 29.44 C ATOM 1183 CG ARG B 34 39.696 1.202 13.498 1.00 31.44 C ATOM 1184 CD ARG B 34 40.506 1.842 12.368 1.00 34.61 C ATOM 1185 NE ARG B 34 39.535 2.445 11.464 1.00 38.03 N ATOM 1186 CZ ARG B 34 39.104 3.704 11.479 1.00 37.51 C ATOM 1187 NH1 ARG B 34 39.614 4.636 12.287 1.00 37.32 N ATOM 1188 NH2 ARG B 34 38.161 4.040 10.630 1.00 40.86 N ATOM 1189 HE ARG B 34 39.137 1.826 10.729 1.00 0.00 H ATOM 1190 HH12 ARG B 34 39.242 5.607 12.261 1.00 0.00 H ATOM 1191 HH11 ARG B 34 40.383 4.391 12.943 1.00 0.00 H ATOM 1192 HH22 ARG B 34 37.800 5.015 10.613 1.00 0.00 H ATOM 1193 HH21 ARG B 34 37.775 3.331 9.974 1.00 0.00 H ATOM 1194 H ARG B 34 41.246 0.925 17.244 1.00 0.00 H ATOM 1195 N ASP B 35 39.204 -1.635 16.169 1.00 25.90 N ATOM 1196 CA ASP B 35 38.487 -2.920 16.035 1.00 26.76 C ATOM 1197 C ASP B 35 37.117 -2.894 16.759 1.00 24.37 C ATOM 1198 O ASP B 35 36.238 -3.686 16.398 1.00 24.32 O ATOM 1199 CB ASP B 35 39.270 -4.094 16.620 1.00 29.53 C ATOM 1200 CG ASP B 35 40.462 -4.510 15.776 1.00 32.45 C ATOM 1201 OD1 ASP B 35 40.612 -4.066 14.628 1.00 34.64 O ATOM 1202 OD2 ASP B 35 41.229 -5.322 16.293 1.00 36.38 O ATOM 1203 H ASP B 35 40.152 -1.631 16.597 1.00 0.00 H ATOM 1204 N TRP B 36 36.956 -1.984 17.726 1.00 22.52 N ATOM 1205 CA TRP B 36 35.736 -1.893 18.534 1.00 21.61 C ATOM 1206 C TRP B 36 34.733 -0.871 18.051 1.00 21.36 C ATOM 1207 O TRP B 36 33.697 -0.690 18.698 1.00 20.28 O ATOM 1208 CB TRP B 36 36.094 -1.632 20.010 1.00 20.73 C ATOM 1209 CG TRP B 36 36.906 -2.713 20.629 1.00 21.07 C ATOM 1210 CD1 TRP B 36 37.028 -4.008 20.205 1.00 22.15 C ATOM 1211 CD2 TRP B 36 37.615 -2.615 21.850 1.00 21.43 C ATOM 1212 NE1 TRP B 36 37.815 -4.724 21.102 1.00 23.18 N ATOM 1213 CE2 TRP B 36 38.206 -3.869 22.102 1.00 22.73 C ATOM 1214 CE3 TRP B 36 37.825 -1.583 22.757 1.00 20.80 C ATOM 1215 CZ2 TRP B 36 38.989 -4.097 23.209 1.00 23.78 C ATOM 1216 CZ3 TRP B 36 38.607 -1.814 23.870 1.00 21.96 C ATOM 1217 CH2 TRP B 36 39.168 -3.058 24.089 1.00 23.23 C ATOM 1218 HE1 TRP B 36 38.063 -5.731 21.028 1.00 0.00 H ATOM 1219 H TRP B 36 37.728 -1.313 17.912 1.00 0.00 H ATOM 1220 N LEU B 37 35.001 -0.203 16.919 1.00 21.58 N ATOM 1221 CA LEU B 37 34.019 0.675 16.335 1.00 22.61 C ATOM 1222 C LEU B 37 32.714 -0.057 16.088 1.00 23.46 C ATOM 1223 O LEU B 37 32.709 -1.229 15.664 1.00 24.34 O ATOM 1224 CB LEU B 37 34.513 1.332 15.040 1.00 24.09 C ATOM 1225 CG LEU B 37 35.483 2.476 15.227 1.00 24.75 C ATOM 1226 CD1 LEU B 37 36.110 2.799 13.871 1.00 26.50 C ATOM 1227 CD2 LEU B 37 34.815 3.707 15.808 1.00 24.11 C ATOM 1228 H LEU B 37 35.926 -0.320 16.459 1.00 0.00 H ATOM 1229 N LEU B 38 31.620 0.634 16.393 1.00 23.13 N ATOM 1230 CA LEU B 38 30.303 0.025 16.427 1.00 24.77 C ATOM 1231 C LEU B 38 29.343 0.867 15.592 1.00 25.71 C ATOM 1232 O LEU B 38 29.052 1.973 15.971 1.00 24.24 O ATOM 1233 CB LEU B 38 29.817 -0.034 17.886 1.00 24.75 C ATOM 1234 CG LEU B 38 28.407 -0.601 18.058 1.00 26.65 C ATOM 1235 CD1 LEU B 38 28.338 -2.037 17.587 1.00 28.56 C ATOM 1236 CD2 LEU B 38 27.994 -0.497 19.519 1.00 27.04 C ATOM 1237 H LEU B 38 31.711 1.646 16.615 1.00 0.00 H ATOM 1238 N PRO B 39 28.851 0.339 14.465 1.00 28.54 N ATOM 1239 CA PRO B 39 27.918 1.133 13.646 1.00 30.18 C ATOM 1240 C PRO B 39 26.454 1.212 14.148 1.00 32.11 C ATOM 1241 O PRO B 39 25.556 0.632 13.526 1.00 36.22 O ATOM 1242 CB PRO B 39 27.999 0.445 12.284 1.00 31.74 C ATOM 1243 CG PRO B 39 28.285 -0.963 12.607 1.00 32.19 C ATOM 1244 CD PRO B 39 29.224 -0.919 13.781 1.00 31.07 C ATOM 1245 N MET B 40 26.211 1.996 15.196 1.00 32.00 N ATOM 1246 CA MET B 40 24.865 2.183 15.762 1.00 31.94 C ATOM 1247 C MET B 40 23.971 2.926 14.798 1.00 32.65 C ATOM 1248 O MET B 40 24.343 3.971 14.278 1.00 30.76 O ATOM 1249 CB MET B 40 24.900 2.938 17.088 1.00 32.03 C ATOM 1250 CG MET B 40 25.558 2.185 18.237 1.00 33.05 C ATOM 1251 SD MET B 40 24.659 0.671 18.756 1.00 35.43 S ATOM 1252 CE MET B 40 23.038 1.333 19.089 1.00 35.36 C ATOM 1253 H MET B 40 27.008 2.499 15.635 1.00 0.00 H ATOM 1254 N GLY B 41 22.792 2.361 14.538 1.00 33.68 N ATOM 1255 CA GLY B 41 21.897 2.875 13.501 1.00 35.94 C ATOM 1256 C GLY B 41 22.531 2.993 12.122 1.00 36.90 C ATOM 1257 O GLY B 41 22.177 3.878 11.357 1.00 38.87 O ATOM 1258 H GLY B 41 22.499 1.529 15.089 1.00 0.00 H ATOM 1259 N GLY B 42 23.490 2.124 11.816 1.00 37.32 N ATOM 1260 CA GLY B 42 24.167 2.109 10.509 1.00 37.13 C ATOM 1261 C GLY B 42 25.359 3.042 10.325 1.00 36.05 C ATOM 1262 O GLY B 42 25.836 3.208 9.204 1.00 37.23 O ATOM 1263 H GLY B 42 23.774 1.425 12.531 1.00 0.00 H ATOM 1264 N ASP B 43 25.855 3.665 11.398 1.00 32.50 N ATOM 1265 CA ASP B 43 26.995 4.577 11.264 1.00 31.83 C ATOM 1266 C ASP B 43 27.724 4.627 12.579 1.00 27.64 C ATOM 1267 O ASP B 43 27.075 4.799 13.590 1.00 25.43 O ATOM 1268 CB ASP B 43 26.492 5.978 10.905 1.00 33.40 C ATOM 1269 CG ASP B 43 27.589 6.891 10.319 1.00 35.18 C ATOM 1270 OD1 ASP B 43 28.801 6.688 10.563 1.00 33.82 O ATOM 1271 OD2 ASP B 43 27.193 7.860 9.624 1.00 37.33 O ATOM 1272 H ASP B 43 25.430 3.502 12.333 1.00 0.00 H ATOM 1273 N HIS B 44 29.052 4.484 12.596 1.00 26.77 N ATOM 1274 CA HIS B 44 29.769 4.668 13.874 1.00 25.20 C ATOM 1275 C HIS B 44 29.852 6.139 14.309 1.00 23.15 C ATOM 1276 O HIS B 44 30.007 6.404 15.498 1.00 21.79 O ATOM 1277 CB HIS B 44 31.162 4.005 13.902 1.00 26.87 C ATOM 1278 CG HIS B 44 32.155 4.591 12.953 1.00 29.43 C ATOM 1279 ND1 HIS B 44 32.589 5.894 13.030 1.00 31.07 N ATOM 1280 CD2 HIS B 44 32.853 4.027 11.938 1.00 32.99 C ATOM 1281 CE1 HIS B 44 33.467 6.126 12.069 1.00 32.27 C ATOM 1282 NE2 HIS B 44 33.638 5.014 11.387 1.00 35.41 N ATOM 1283 H HIS B 44 29.571 4.248 11.726 1.00 0.00 H ATOM 1284 N GLU B 45 29.715 7.079 13.370 1.00 22.03 N ATOM 1285 CA GLU B 45 29.701 8.527 13.683 1.00 20.97 C ATOM 1286 C GLU B 45 28.298 9.081 13.814 1.00 21.09 C ATOM 1287 O GLU B 45 27.468 8.847 12.931 1.00 21.28 O ATOM 1288 CB GLU B 45 30.446 9.328 12.609 1.00 21.94 C ATOM 1289 CG GLU B 45 30.544 10.809 12.926 1.00 21.71 C ATOM 1290 CD GLU B 45 31.480 11.581 12.015 1.00 23.06 C ATOM 1291 OE1 GLU B 45 32.730 11.469 12.158 1.00 23.41 O ATOM 1292 OE2 GLU B 45 30.989 12.380 11.224 1.00 23.63 O ATOM 1293 H GLU B 45 29.614 6.782 12.378 1.00 0.00 H ATOM 1294 N HIS B 46 28.048 9.834 14.888 1.00 20.49 N ATOM 1295 CA HIS B 46 26.777 10.496 15.155 1.00 20.84 C ATOM 1296 C HIS B 46 27.070 11.926 15.598 1.00 19.52 C ATOM 1297 O HIS B 46 27.705 12.127 16.637 1.00 19.22 O ATOM 1298 CB HIS B 46 26.030 9.765 16.257 1.00 21.87 C ATOM 1299 CG HIS B 46 25.555 8.407 15.856 1.00 23.85 C ATOM 1300 ND1 HIS B 46 24.232 8.154 15.575 1.00 26.58 N ATOM 1301 CD2 HIS B 46 26.211 7.244 15.654 1.00 24.67 C ATOM 1302 CE1 HIS B 46 24.097 6.902 15.188 1.00 27.23 C ATOM 1303 NE2 HIS B 46 25.277 6.318 15.251 1.00 26.66 N ATOM 1304 H HIS B 46 28.813 9.957 15.582 1.00 0.00 H ATOM 1305 N VAL B 47 26.597 12.913 14.847 1.00 19.13 N ATOM 1306 CA VAL B 47 26.696 14.297 15.239 1.00 18.80 C ATOM 1307 C VAL B 47 25.379 14.652 15.951 1.00 18.77 C ATOM 1308 O VAL B 47 24.300 14.501 15.379 1.00 19.05 O ATOM 1309 CB VAL B 47 26.944 15.218 14.045 1.00 19.61 C ATOM 1310 CG1 VAL B 47 27.081 16.679 14.495 1.00 19.65 C ATOM 1311 CG2 VAL B 47 28.232 14.807 13.300 1.00 19.80 C ATOM 1312 H VAL B 47 26.138 12.680 13.943 1.00 0.00 H ATOM 1313 N VAL B 48 25.506 15.115 17.185 1.00 18.44 N ATOM 1314 CA VAL B 48 24.384 15.203 18.131 1.00 18.35 C ATOM 1315 C VAL B 48 24.463 16.507 18.910 1.00 18.45 C ATOM 1316 O VAL B 48 25.528 17.145 18.977 1.00 17.95 O ATOM 1317 CB VAL B 48 24.332 13.999 19.084 1.00 18.40 C ATOM 1318 CG1 VAL B 48 24.036 12.723 18.327 1.00 19.23 C ATOM 1319 CG2 VAL B 48 25.613 13.860 19.903 1.00 18.39 C ATOM 1320 H VAL B 48 26.445 15.432 17.500 1.00 0.00 H ATOM 1321 N PHE B 49 23.357 16.913 19.528 1.00 18.07 N ATOM 1322 CA PHE B 49 23.385 18.028 20.456 1.00 18.37 C ATOM 1323 C PHE B 49 22.588 17.718 21.691 1.00 18.38 C ATOM 1324 O PHE B 49 21.659 16.947 21.634 1.00 18.39 O ATOM 1325 CB PHE B 49 22.934 19.340 19.807 1.00 19.05 C ATOM 1326 CG PHE B 49 21.508 19.348 19.396 1.00 19.63 C ATOM 1327 CD1 PHE B 49 20.555 19.750 20.296 1.00 20.14 C ATOM 1328 CD2 PHE B 49 21.111 19.000 18.103 1.00 19.83 C ATOM 1329 CE1 PHE B 49 19.224 19.788 19.934 1.00 21.19 C ATOM 1330 CE2 PHE B 49 19.774 19.028 17.731 1.00 20.99 C ATOM 1331 CZ PHE B 49 18.826 19.403 18.658 1.00 21.58 C ATOM 1332 H PHE B 49 22.458 16.423 19.343 1.00 0.00 H ATOM 1333 N ASN B 50 23.031 18.241 22.824 1.00 18.38 N ATOM 1334 CA ASN B 50 22.320 18.030 24.099 1.00 18.88 C ATOM 1335 C ASN B 50 21.296 19.152 24.357 1.00 19.77 C ATOM 1336 O ASN B 50 21.176 20.088 23.582 1.00 19.75 O ATOM 1337 CB ASN B 50 23.323 17.790 25.245 1.00 19.15 C ATOM 1338 CG ASN B 50 24.101 19.007 25.630 1.00 19.88 C ATOM 1339 OD1 ASN B 50 23.784 20.149 25.260 1.00 20.76 O ATOM 1340 ND2 ASN B 50 25.120 18.769 26.443 1.00 20.57 N ATOM 1341 HD22 ASN B 50 25.345 17.793 26.723 1.00 0.00 H ATOM 1342 HD21 ASN B 50 25.695 19.558 26.801 1.00 0.00 H ATOM 1343 H ASN B 50 23.899 18.813 22.815 1.00 0.00 H ATOM 1344 N PRO B 51 20.476 19.045 25.445 1.00 20.74 N ATOM 1345 CA PRO B 51 19.501 20.088 25.714 1.00 21.80 C ATOM 1346 C PRO B 51 20.096 21.477 25.982 1.00 22.29 C ATOM 1347 O PRO B 51 19.397 22.465 25.828 1.00 23.85 O ATOM 1348 CB PRO B 51 18.771 19.586 26.938 1.00 22.71 C ATOM 1349 CG PRO B 51 18.955 18.106 26.908 1.00 21.97 C ATOM 1350 CD PRO B 51 20.263 17.847 26.287 1.00 20.91 C ATOM 1351 N ALA B 52 21.366 21.523 26.381 1.00 21.53 N ATOM 1352 CA ALA B 52 22.086 22.798 26.522 1.00 22.17 C ATOM 1353 C ALA B 52 22.636 23.352 25.210 1.00 22.01 C ATOM 1354 O ALA B 52 23.204 24.439 25.203 1.00 22.82 O ATOM 1355 CB ALA B 52 23.212 22.647 27.540 1.00 22.22 C ATOM 1356 H ALA B 52 21.861 20.635 26.598 1.00 0.00 H ATOM 1357 N GLY B 53 22.368 22.671 24.098 1.00 21.21 N ATOM 1358 CA GLY B 53 22.740 23.114 22.765 1.00 21.74 C ATOM 1359 C GLY B 53 24.180 22.836 22.430 1.00 21.82 C ATOM 1360 O GLY B 53 24.659 23.316 21.415 1.00 21.85 O ATOM 1361 H GLY B 53 21.862 21.767 24.189 1.00 0.00 H ATOM 1362 N MET B 54 24.872 22.080 23.269 1.00 22.45 N ATOM 1363 CA MET B 54 26.262 21.712 22.966 1.00 23.92 C ATOM 1364 C MET B 54 26.265 20.629 21.889 1.00 21.97 C ATOM 1365 O MET B 54 25.531 19.645 22.014 1.00 20.47 O ATOM 1366 CB MET B 54 26.954 21.167 24.206 1.00 27.21 C ATOM 1367 CG MET B 54 26.990 22.133 25.366 1.00 31.91 C ATOM 1368 SD MET B 54 27.777 23.679 24.863 1.00 41.40 S ATOM 1369 CE MET B 54 29.356 23.081 24.318 1.00 38.66 C ATOM 1370 H MET B 54 24.429 21.745 24.148 1.00 0.00 H ATOM 1371 N ILE B 55 27.093 20.824 20.860 1.00 21.47 N ATOM 1372 CA ILE B 55 27.191 19.886 19.734 1.00 21.00 C ATOM 1373 C ILE B 55 28.398 18.981 19.909 1.00 20.54 C ATOM 1374 O ILE B 55 29.479 19.466 20.237 1.00 21.29 O ATOM 1375 CB ILE B 55 27.283 20.655 18.382 1.00 21.90 C ATOM 1376 CG1 ILE B 55 25.934 21.348 18.126 1.00 22.36 C ATOM 1377 CG2 ILE B 55 27.570 19.697 17.231 1.00 21.24 C ATOM 1378 CD1 ILE B 55 25.943 22.370 17.033 1.00 24.07 C ATOM 1379 H ILE B 55 27.692 21.674 20.856 1.00 0.00 H ATOM 1380 N PHE B 56 28.228 17.702 19.647 1.00 19.77 N ATOM 1381 CA PHE B 56 29.336 16.736 19.722 1.00 19.84 C ATOM 1382 C PHE B 56 29.350 15.837 18.522 1.00 19.70 C ATOM 1383 O PHE B 56 28.287 15.428 18.041 1.00 19.11 O ATOM 1384 CB PHE B 56 29.235 15.826 20.947 1.00 19.58 C ATOM 1385 CG PHE B 56 29.129 16.571 22.269 1.00 20.77 C ATOM 1386 CD1 PHE B 56 27.892 16.952 22.762 1.00 21.66 C ATOM 1387 CD2 PHE B 56 30.266 16.900 23.011 1.00 22.03 C ATOM 1388 CE1 PHE B 56 27.781 17.590 23.990 1.00 22.32 C ATOM 1389 CE2 PHE B 56 30.162 17.568 24.208 1.00 22.96 C ATOM 1390 CZ PHE B 56 28.916 17.894 24.716 1.00 23.41 C ATOM 1391 H PHE B 56 27.282 17.364 19.379 1.00 0.00 H ATOM 1392 N ARG B 57 30.551 15.476 18.063 1.00 19.34 N ATOM 1393 CA ARG B 57 30.707 14.454 17.068 1.00 19.46 C ATOM 1394 C ARG B 57 31.187 13.188 17.778 1.00 18.91 C ATOM 1395 O ARG B 57 32.348 13.092 18.210 1.00 19.18 O ATOM 1396 CB ARG B 57 31.676 14.882 15.980 1.00 20.45 C ATOM 1397 CG ARG B 57 31.840 13.850 14.878 1.00 21.25 C ATOM 1398 CD ARG B 57 32.553 14.424 13.692 1.00 22.59 C ATOM 1399 NE ARG B 57 33.891 14.907 14.045 1.00 24.44 N ATOM 1400 CZ ARG B 57 35.040 14.326 13.691 1.00 24.99 C ATOM 1401 NH1 ARG B 57 35.052 13.215 13.005 1.00 25.14 N ATOM 1402 NH2 ARG B 57 36.186 14.870 14.087 1.00 26.68 N ATOM 1403 HE ARG B 57 33.950 15.773 14.618 1.00 0.00 H ATOM 1404 HH12 ARG B 57 35.957 12.778 12.739 1.00 0.00 H ATOM 1405 HH11 ARG B 57 34.156 12.767 12.725 1.00 0.00 H ATOM 1406 HH22 ARG B 57 37.090 14.430 13.820 1.00 0.00 H ATOM 1407 HH21 ARG B 57 36.179 15.735 14.664 1.00 0.00 H ATOM 1408 H ARG B 57 31.398 15.949 18.438 1.00 0.00 H ATOM 1409 N VAL B 58 30.272 12.252 17.924 1.00 18.88 N ATOM 1410 CA VAL B 58 30.454 11.068 18.735 1.00 19.20 C ATOM 1411 C VAL B 58 30.745 9.871 17.840 1.00 18.39 C ATOM 1412 O VAL B 58 30.088 9.692 16.819 1.00 18.27 O ATOM 1413 CB VAL B 58 29.136 10.812 19.515 1.00 20.50 C ATOM 1414 CG1 VAL B 58 29.166 9.515 20.245 1.00 21.26 C ATOM 1415 CG2 VAL B 58 28.879 11.988 20.486 1.00 21.94 C ATOM 1416 H VAL B 58 29.366 12.371 17.427 1.00 0.00 H ATOM 1417 N TRP B 59 31.744 9.076 18.209 1.00 18.34 N ATOM 1418 CA TRP B 59 31.992 7.781 17.609 1.00 18.10 C ATOM 1419 C TRP B 59 31.607 6.695 18.607 1.00 17.95 C ATOM 1420 O TRP B 59 31.984 6.763 19.767 1.00 17.07 O ATOM 1421 CB TRP B 59 33.464 7.617 17.186 1.00 18.98 C ATOM 1422 CG TRP B 59 33.778 8.301 15.870 1.00 19.28 C ATOM 1423 CD1 TRP B 59 33.097 9.337 15.301 1.00 20.06 C ATOM 1424 CD2 TRP B 59 34.880 8.032 14.993 1.00 20.30 C ATOM 1425 NE1 TRP B 59 33.671 9.711 14.118 1.00 20.82 N ATOM 1426 CE2 TRP B 59 34.762 8.921 13.891 1.00 21.21 C ATOM 1427 CE3 TRP B 59 35.928 7.117 15.006 1.00 21.02 C ATOM 1428 CZ2 TRP B 59 35.662 8.923 12.840 1.00 22.06 C ATOM 1429 CZ3 TRP B 59 36.807 7.111 13.953 1.00 21.67 C ATOM 1430 CH2 TRP B 59 36.669 7.997 12.884 1.00 22.79 C ATOM 1431 HE1 TRP B 59 33.333 10.471 13.494 1.00 0.00 H ATOM 1432 H TRP B 59 32.379 9.400 18.966 1.00 0.00 H ATOM 1433 N CYS B 60 30.902 5.699 18.110 1.00 18.14 N ATOM 1434 CA CYS B 60 30.430 4.596 18.919 1.00 18.45 C ATOM 1435 C CYS B 60 31.450 3.467 18.901 1.00 18.33 C ATOM 1436 O CYS B 60 31.939 3.060 17.820 1.00 18.75 O ATOM 1437 CB CYS B 60 29.094 4.089 18.451 1.00 19.71 C ATOM 1438 SG CYS B 60 27.804 5.339 18.579 1.00 21.90 S ATOM 1439 H CYS B 60 30.676 5.706 17.095 1.00 0.00 H ATOM 1440 N PHE B 61 31.725 2.960 20.102 1.00 17.71 N ATOM 1441 CA PHE B 61 32.612 1.813 20.324 1.00 18.03 C ATOM 1442 C PHE B 61 31.917 0.786 21.202 1.00 17.99 C ATOM 1443 O PHE B 61 31.185 1.135 22.122 1.00 18.10 O ATOM 1444 CB PHE B 61 33.901 2.235 21.021 1.00 17.59 C ATOM 1445 CG PHE B 61 34.782 3.172 20.223 1.00 18.22 C ATOM 1446 CD1 PHE B 61 34.568 4.553 20.237 1.00 18.33 C ATOM 1447 CD2 PHE B 61 35.814 2.673 19.499 1.00 18.81 C ATOM 1448 CE1 PHE B 61 35.394 5.404 19.541 1.00 18.89 C ATOM 1449 CE2 PHE B 61 36.675 3.508 18.829 1.00 19.67 C ATOM 1450 CZ PHE B 61 36.466 4.879 18.822 1.00 19.58 C ATOM 1451 H PHE B 61 31.284 3.404 20.932 1.00 0.00 H ATOM 1452 N SER B 62 32.133 -0.489 20.963 1.00 18.32 N ATOM 1453 CA SER B 62 31.515 -1.526 21.775 1.00 19.15 C ATOM 1454 C SER B 62 32.027 -1.565 23.212 1.00 19.24 C ATOM 1455 O SER B 62 31.238 -1.814 24.143 1.00 20.06 O ATOM 1456 CB SER B 62 31.726 -2.875 21.142 1.00 20.29 C ATOM 1457 OG SER B 62 33.134 -3.060 20.931 1.00 21.28 O ATOM 1458 HG SER B 62 33.473 -2.348 20.333 1.00 0.00 H ATOM 1459 H SER B 62 32.758 -0.761 20.178 1.00 0.00 H ATOM 1460 N LEU B 63 33.326 -1.319 23.363 1.00 18.73 N ATOM 1461 CA LEU B 63 34.050 -1.390 24.609 1.00 19.24 C ATOM 1462 C LEU B 63 35.013 -0.232 24.714 1.00 18.92 C ATOM 1463 O LEU B 63 35.348 0.406 23.714 1.00 19.58 O ATOM 1464 CB LEU B 63 34.870 -2.682 24.631 1.00 20.20 C ATOM 1465 CG LEU B 63 34.156 -4.032 24.451 1.00 20.90 C ATOM 1466 CD1 LEU B 63 35.193 -5.123 24.552 1.00 22.99 C ATOM 1467 CD2 LEU B 63 32.993 -4.245 25.415 1.00 21.20 C ATOM 1468 H LEU B 63 33.864 -1.054 22.513 1.00 0.00 H ATOM 1469 N ALA B 64 35.430 0.041 25.941 1.00 19.42 N ATOM 1470 CA ALA B 64 36.479 1.009 26.202 1.00 20.06 C ATOM 1471 C ALA B 64 37.126 0.631 27.507 1.00 21.23 C ATOM 1472 O ALA B 64 36.613 -0.241 28.243 1.00 21.60 O ATOM 1473 CB ALA B 64 35.910 2.407 26.301 1.00 19.49 C ATOM 1474 H ALA B 64 34.991 -0.454 26.743 1.00 0.00 H ATOM 1475 N GLN B 65 38.223 1.301 27.792 1.00 22.63 N ATOM 1476 CA GLN B 65 38.973 1.107 29.010 1.00 25.00 C ATOM 1477 C GLN B 65 39.564 2.419 29.468 1.00 24.76 C ATOM 1478 O GLN B 65 39.623 3.394 28.723 1.00 23.96 O ATOM 1479 CB GLN B 65 40.081 0.062 28.841 1.00 28.21 C ATOM 1480 CG GLN B 65 41.042 0.355 27.726 1.00 30.47 C ATOM 1481 CD GLN B 65 42.021 -0.811 27.472 1.00 35.02 C ATOM 1482 OE1 GLN B 65 41.659 -1.882 26.924 1.00 38.39 O ATOM 1483 NE2 GLN B 65 43.256 -0.619 27.899 1.00 36.38 N ATOM 1484 HE22 GLN B 65 43.517 0.282 28.348 1.00 0.00 H ATOM 1485 HE21 GLN B 65 43.968 -1.369 27.786 1.00 0.00 H ATOM 1486 H GLN B 65 38.566 2.004 27.106 1.00 0.00 H ATOM 1487 N GLY B 66 39.937 2.433 30.752 1.00 25.83 N ATOM 1488 CA GLY B 66 40.641 3.576 31.323 1.00 26.40 C ATOM 1489 C GLY B 66 39.790 4.787 31.581 1.00 25.87 C ATOM 1490 O GLY B 66 40.334 5.862 31.843 1.00 27.24 O ATOM 1491 H GLY B 66 39.721 1.614 31.355 1.00 0.00 H ATOM 1492 N LEU B 67 38.460 4.638 31.499 1.00 24.04 N ATOM 1493 CA LEU B 67 37.520 5.724 31.816 1.00 23.86 C ATOM 1494 C LEU B 67 37.004 5.576 33.232 1.00 24.88 C ATOM 1495 O LEU B 67 37.245 4.539 33.877 1.00 24.56 O ATOM 1496 CB LEU B 67 36.329 5.713 30.845 1.00 22.56 C ATOM 1497 CG LEU B 67 36.719 5.840 29.369 1.00 22.24 C ATOM 1498 CD1 LEU B 67 35.589 5.365 28.454 1.00 21.33 C ATOM 1499 CD2 LEU B 67 37.071 7.278 29.078 1.00 22.83 C ATOM 1500 H LEU B 67 38.078 3.718 31.199 1.00 0.00 H ATOM 1501 N ARG B 68 36.340 6.617 33.713 1.00 25.89 N ATOM 1502 CA ARG B 68 35.600 6.579 34.967 1.00 28.35 C ATOM 1503 C ARG B 68 34.217 7.105 34.667 1.00 26.58 C ATOM 1504 O ARG B 68 34.059 8.224 34.159 1.00 25.81 O ATOM 1505 CB ARG B 68 36.296 7.419 36.038 1.00 32.10 C ATOM 1506 CG ARG B 68 35.575 7.464 37.364 1.00 35.30 C ATOM 1507 CD ARG B 68 35.684 6.131 38.091 1.00 38.97 C ATOM 1508 NE ARG B 68 35.007 6.173 39.397 1.00 42.70 N ATOM 1509 CZ ARG B 68 35.584 6.431 40.573 1.00 45.58 C ATOM 1510 NH1 ARG B 68 36.895 6.686 40.677 1.00 47.91 N ATOM 1511 NH2 ARG B 68 34.829 6.432 41.670 1.00 48.08 N ATOM 1512 HE ARG B 68 33.984 5.984 39.405 1.00 0.00 H ATOM 1513 HH12 ARG B 68 37.314 6.883 41.608 1.00 0.00 H ATOM 1514 HH11 ARG B 68 37.494 6.687 39.827 1.00 0.00 H ATOM 1515 HH22 ARG B 68 35.258 6.631 42.596 1.00 0.00 H ATOM 1516 HH21 ARG B 68 33.810 6.234 41.600 1.00 0.00 H ATOM 1517 H ARG B 68 36.348 7.503 33.169 1.00 0.00 H ATOM 1518 N LEU B 69 33.210 6.302 34.955 1.00 26.21 N ATOM 1519 CA LEU B 69 31.834 6.664 34.719 1.00 26.79 C ATOM 1520 C LEU B 69 31.283 7.306 35.980 1.00 29.88 C ATOM 1521 O LEU B 69 31.444 6.757 37.087 1.00 32.37 O ATOM 1522 CB LEU B 69 31.027 5.431 34.311 1.00 26.36 C ATOM 1523 CG LEU B 69 31.535 4.661 33.108 1.00 25.46 C ATOM 1524 CD1 LEU B 69 30.494 3.618 32.711 1.00 26.75 C ATOM 1525 CD2 LEU B 69 31.855 5.512 31.919 1.00 25.08 C ATOM 1526 H LEU B 69 33.417 5.371 35.369 1.00 0.00 H ATOM 1527 N ILE B 70 30.662 8.481 35.827 1.00 29.68 N ATOM 1528 CA ILE B 70 30.259 9.283 36.968 1.00 32.93 C ATOM 1529 C ILE B 70 28.752 9.467 36.973 1.00 33.60 C ATOM 1530 O ILE B 70 28.129 9.738 35.949 1.00 32.97 O ATOM 1531 CB ILE B 70 31.031 10.632 37.107 1.00 35.45 C ATOM 1532 CG1 ILE B 70 30.807 11.555 35.925 1.00 35.95 C ATOM 1533 CG2 ILE B 70 32.521 10.359 37.297 1.00 36.30 C ATOM 1534 CD1 ILE B 70 31.354 12.949 36.174 1.00 37.97 C ATOM 1535 H ILE B 70 30.463 8.828 34.867 1.00 0.00 H ATOM 1536 N GLY B 71 28.164 9.290 38.145 1.00 35.72 N ATOM 1537 CA GLY B 71 26.737 9.480 38.338 1.00 36.12 C ATOM 1538 C GLY B 71 25.953 8.217 38.048 1.00 35.67 C ATOM 1539 O GLY B 71 26.499 7.168 37.670 1.00 37.35 O ATOM 1540 H GLY B 71 28.745 9.004 38.959 1.00 0.00 H ATOM 1541 N ALA B 72 24.639 8.323 38.246 1.00 35.80 N ATOM 1542 CA ALA B 72 23.727 7.233 37.967 1.00 34.79 C ATOM 1543 C ALA B 72 23.247 7.356 36.524 1.00 32.70 C ATOM 1544 O ALA B 72 23.209 8.472 35.999 1.00 32.26 O ATOM 1545 CB ALA B 72 22.553 7.286 38.920 1.00 36.54 C ATOM 1546 H ALA B 72 24.256 9.218 38.613 1.00 0.00 H ATOM 1547 N PRO B 73 22.885 6.228 35.883 1.00 32.03 N ATOM 1548 CA PRO B 73 22.401 6.325 34.494 1.00 30.24 C ATOM 1549 C PRO B 73 21.137 7.143 34.356 1.00 30.05 C ATOM 1550 O PRO B 73 20.296 7.181 35.271 1.00 31.12 O ATOM 1551 CB PRO B 73 22.140 4.867 34.091 1.00 30.77 C ATOM 1552 CG PRO B 73 22.935 4.049 35.070 1.00 32.47 C ATOM 1553 CD PRO B 73 22.928 4.829 36.343 1.00 32.49 C ATOM 1554 N SER B 74 21.011 7.806 33.215 1.00 28.87 N ATOM 1555 CA SER B 74 19.836 8.620 32.940 1.00 28.37 C ATOM 1556 C SER B 74 19.327 8.272 31.564 1.00 27.36 C ATOM 1557 O SER B 74 20.092 8.133 30.630 1.00 25.24 O ATOM 1558 CB SER B 74 20.179 10.098 33.007 1.00 29.22 C ATOM 1559 OG SER B 74 19.108 10.901 32.531 1.00 30.38 O ATOM 1560 HG SER B 74 19.363 11.856 32.588 1.00 0.00 H ATOM 1561 H SER B 74 21.766 7.743 32.503 1.00 0.00 H ATOM 1562 N GLY B 75 17.998 8.195 31.460 1.00 28.75 N ATOM 1563 CA GLY B 75 17.339 8.016 30.176 1.00 30.19 C ATOM 1564 C GLY B 75 17.007 9.313 29.474 1.00 30.89 C ATOM 1565 O GLY B 75 16.678 9.309 28.266 1.00 33.67 O ATOM 1566 H GLY B 75 17.418 8.265 32.321 1.00 0.00 H ATOM 1567 N GLU B 76 17.143 10.424 30.200 1.00 31.46 N ATOM 1568 CA GLU B 76 16.716 11.748 29.712 1.00 32.39 C ATOM 1569 C GLU B 76 17.478 12.133 28.466 1.00 29.54 C ATOM 1570 O GLU B 76 18.720 12.182 28.502 1.00 27.66 O ATOM 1571 CB GLU B 76 17.026 12.820 30.763 1.00 34.64 C ATOM 1572 CG GLU B 76 16.344 12.661 32.105 1.00 38.42 C ATOM 1573 CD GLU B 76 15.112 13.525 32.251 1.00 41.95 C ATOM 1574 OE1 GLU B 76 14.801 14.312 31.319 1.00 45.37 O ATOM 1575 OE2 GLU B 76 14.468 13.422 33.307 1.00 45.90 O ATOM 1576 H GLU B 76 17.567 10.353 31.147 1.00 0.00 H ATOM 1577 N PHE B 77 16.746 12.405 27.374 1.00 27.81 N ATOM 1578 CA PHE B 77 17.327 12.923 26.132 1.00 27.92 C ATOM 1579 C PHE B 77 18.404 12.036 25.527 1.00 25.03 C ATOM 1580 O PHE B 77 19.277 12.515 24.816 1.00 23.88 O ATOM 1581 CB PHE B 77 17.875 14.337 26.364 1.00 29.37 C ATOM 1582 CG PHE B 77 16.873 15.264 27.003 1.00 32.34 C ATOM 1583 CD1 PHE B 77 15.787 15.715 26.280 1.00 34.06 C ATOM 1584 CD2 PHE B 77 17.028 15.702 28.317 1.00 34.95 C ATOM 1585 CE1 PHE B 77 14.827 16.552 26.856 1.00 36.98 C ATOM 1586 CE2 PHE B 77 16.089 16.542 28.896 1.00 35.94 C ATOM 1587 CZ PHE B 77 14.994 16.975 28.163 1.00 37.56 C ATOM 1588 H PHE B 77 15.720 12.241 27.411 1.00 0.00 H ATOM 1589 N SER B 78 18.290 10.718 25.751 1.00 24.26 N ATOM 1590 CA SER B 78 19.283 9.825 25.214 1.00 22.44 C ATOM 1591 C SER B 78 19.332 9.913 23.702 1.00 21.67 C ATOM 1592 O SER B 78 18.264 9.843 23.034 1.00 22.30 O ATOM 1593 CB SER B 78 18.993 8.388 25.605 1.00 22.88 C ATOM 1594 OG SER B 78 20.043 7.576 25.094 1.00 21.98 O ATOM 1595 HG SER B 78 19.876 6.631 25.337 1.00 0.00 H ATOM 1596 H SER B 78 17.493 10.346 26.306 1.00 0.00 H ATOM 1597 N TRP B 79 20.539 10.018 23.158 1.00 20.86 N ATOM 1598 CA TRP B 79 20.743 9.987 21.710 1.00 20.81 C ATOM 1599 C TRP B 79 20.505 8.637 21.049 1.00 21.90 C ATOM 1600 O TRP B 79 20.385 8.565 19.819 1.00 23.14 O ATOM 1601 CB TRP B 79 22.143 10.495 21.357 1.00 20.12 C ATOM 1602 CG TRP B 79 22.367 11.920 21.713 1.00 19.38 C ATOM 1603 CD1 TRP B 79 21.525 12.957 21.526 1.00 19.88 C ATOM 1604 CD2 TRP B 79 23.514 12.458 22.355 1.00 18.65 C ATOM 1605 NE1 TRP B 79 22.066 14.114 22.010 1.00 19.71 N ATOM 1606 CE2 TRP B 79 23.306 13.841 22.504 1.00 18.91 C ATOM 1607 CE3 TRP B 79 24.740 11.911 22.759 1.00 18.50 C ATOM 1608 CZ2 TRP B 79 24.247 14.679 23.080 1.00 19.29 C ATOM 1609 CZ3 TRP B 79 25.660 12.734 23.344 1.00 18.46 C ATOM 1610 CH2 TRP B 79 25.433 14.104 23.468 1.00 19.09 C ATOM 1611 HE1 TRP B 79 21.608 15.048 22.003 1.00 0.00 H ATOM 1612 H TRP B 79 21.365 10.126 23.781 1.00 0.00 H ATOM 1613 N PHE B 80 20.415 7.569 21.860 1.00 21.54 N ATOM 1614 CA PHE B 80 20.234 6.219 21.359 1.00 22.90 C ATOM 1615 C PHE B 80 19.039 5.630 22.082 1.00 24.39 C ATOM 1616 O PHE B 80 19.071 5.401 23.286 1.00 23.33 O ATOM 1617 CB PHE B 80 21.517 5.403 21.571 1.00 22.28 C ATOM 1618 CG PHE B 80 22.709 6.010 20.891 1.00 21.81 C ATOM 1619 CD1 PHE B 80 22.958 5.765 19.565 1.00 22.53 C ATOM 1620 CD2 PHE B 80 23.564 6.870 21.580 1.00 21.56 C ATOM 1621 CE1 PHE B 80 24.037 6.376 18.926 1.00 22.54 C ATOM 1622 CE2 PHE B 80 24.644 7.450 20.960 1.00 21.84 C ATOM 1623 CZ PHE B 80 24.857 7.235 19.626 1.00 21.92 C ATOM 1624 H PHE B 80 20.478 7.716 22.888 1.00 0.00 H ATOM 1625 N LYS B 81 17.963 5.417 21.327 1.00 27.51 N ATOM 1626 CA LYS B 81 16.694 4.982 21.899 1.00 30.02 C ATOM 1627 C LYS B 81 16.857 3.646 22.601 1.00 29.64 C ATOM 1628 O LYS B 81 17.505 2.746 22.080 1.00 30.44 O ATOM 1629 CB LYS B 81 15.601 4.880 20.820 1.00 33.67 C ATOM 1630 CG LYS B 81 14.218 4.665 21.420 1.00 37.20 C ATOM 1631 CD LYS B 81 13.217 3.944 20.520 1.00 41.61 C ATOM 1632 CE LYS B 81 12.181 3.218 21.364 1.00 43.91 C ATOM 1633 NZ LYS B 81 11.288 2.339 20.574 1.00 47.02 N ATOM 1634 HZ1 LYS B 81 10.775 2.909 19.872 1.00 0.00 H ATOM 1635 HZ2 LYS B 81 11.856 1.617 20.087 1.00 0.00 H ATOM 1636 HZ3 LYS B 81 10.608 1.876 21.210 1.00 0.00 H ATOM 1637 H LYS B 81 18.030 5.565 20.300 1.00 0.00 H ATOM 1638 N GLY B 82 16.330 3.553 23.818 1.00 28.64 N ATOM 1639 CA GLY B 82 16.363 2.333 24.587 1.00 28.58 C ATOM 1640 C GLY B 82 17.571 2.192 25.506 1.00 27.10 C ATOM 1641 O GLY B 82 17.680 1.182 26.199 1.00 27.37 O ATOM 1642 H GLY B 82 15.876 4.392 24.232 1.00 0.00 H ATOM 1643 N TYR B 83 18.459 3.194 25.500 1.00 24.88 N ATOM 1644 CA TYR B 83 19.637 3.211 26.345 1.00 23.73 C ATOM 1645 C TYR B 83 19.605 4.367 27.322 1.00 24.08 C ATOM 1646 O TYR B 83 19.131 5.457 26.994 1.00 24.21 O ATOM 1647 CB TYR B 83 20.912 3.325 25.500 1.00 22.76 C ATOM 1648 CG TYR B 83 21.133 2.138 24.615 1.00 22.80 C ATOM 1649 CD1 TYR B 83 20.559 2.076 23.351 1.00 23.18 C ATOM 1650 CD2 TYR B 83 21.879 1.051 25.054 1.00 22.69 C ATOM 1651 CE1 TYR B 83 20.762 0.994 22.529 1.00 24.39 C ATOM 1652 CE2 TYR B 83 22.103 -0.028 24.246 1.00 23.28 C ATOM 1653 CZ TYR B 83 21.552 -0.075 22.978 1.00 24.64 C ATOM 1654 OH TYR B 83 21.746 -1.146 22.137 1.00 25.55 O ATOM 1655 HH TYR B 83 21.392 -1.967 22.563 1.00 0.00 H ATOM 1656 H TYR B 83 18.296 3.997 24.860 1.00 0.00 H ATOM 1657 N ASP B 84 20.178 4.131 28.503 1.00 24.28 N ATOM 1658 CA ASP B 84 20.437 5.149 29.495 1.00 24.59 C ATOM 1659 C ASP B 84 21.925 5.489 29.373 1.00 23.28 C ATOM 1660 O ASP B 84 22.705 4.618 29.005 1.00 23.59 O ATOM 1661 CB ASP B 84 20.175 4.604 30.875 1.00 27.11 C ATOM 1662 CG ASP B 84 18.748 4.747 31.316 1.00 30.37 C ATOM 1663 OD1 ASP B 84 17.816 4.849 30.462 1.00 31.43 O ATOM 1664 OD2 ASP B 84 18.582 4.702 32.570 1.00 33.38 O ATOM 1665 H ASP B 84 20.456 3.153 28.724 1.00 0.00 H ATOM 1666 N TRP B 85 22.284 6.716 29.736 1.00 21.89 N ATOM 1667 CA TRP B 85 23.684 7.152 29.644 1.00 21.41 C ATOM 1668 C TRP B 85 24.273 7.591 30.982 1.00 21.19 C ATOM 1669 O TRP B 85 23.548 8.022 31.870 1.00 22.09 O ATOM 1670 CB TRP B 85 23.827 8.295 28.643 1.00 21.25 C ATOM 1671 CG TRP B 85 22.912 9.471 28.888 1.00 21.94 C ATOM 1672 CD1 TRP B 85 21.679 9.662 28.340 1.00 23.08 C ATOM 1673 CD2 TRP B 85 23.132 10.574 29.761 1.00 22.68 C ATOM 1674 NE1 TRP B 85 21.126 10.820 28.790 1.00 23.47 N ATOM 1675 CE2 TRP B 85 22.006 11.419 29.649 1.00 23.76 C ATOM 1676 CE3 TRP B 85 24.202 10.972 30.588 1.00 23.21 C ATOM 1677 CZ2 TRP B 85 21.899 12.619 30.354 1.00 24.83 C ATOM 1678 CZ3 TRP B 85 24.101 12.184 31.280 1.00 24.18 C ATOM 1679 CH2 TRP B 85 22.929 12.979 31.173 1.00 25.17 C ATOM 1680 HE1 TRP B 85 20.190 11.189 28.525 1.00 0.00 H ATOM 1681 H TRP B 85 21.564 7.377 30.090 1.00 0.00 H ATOM 1682 N THR B 86 25.606 7.492 31.063 1.00 20.42 N ATOM 1683 CA THR B 86 26.394 8.029 32.174 1.00 21.13 C ATOM 1684 C THR B 86 27.589 8.743 31.565 1.00 20.67 C ATOM 1685 O THR B 86 28.161 8.253 30.599 1.00 20.19 O ATOM 1686 CB THR B 86 26.946 6.958 33.154 1.00 21.84 C ATOM 1687 OG1 THR B 86 27.586 5.922 32.403 1.00 21.55 O ATOM 1688 CG2 THR B 86 25.859 6.400 34.057 1.00 22.63 C ATOM 1689 HG1 THR B 86 28.331 6.309 31.878 1.00 0.00 H ATOM 1690 H THR B 86 26.110 7.006 30.294 1.00 0.00 H ATOM 1691 N ILE B 87 27.957 9.880 32.130 1.00 21.73 N ATOM 1692 CA ILE B 87 29.149 10.615 31.699 1.00 22.34 C ATOM 1693 C ILE B 87 30.417 9.797 31.914 1.00 22.21 C ATOM 1694 O ILE B 87 30.588 9.212 32.979 1.00 22.20 O ATOM 1695 CB ILE B 87 29.238 11.961 32.428 1.00 25.25 C ATOM 1696 CG1 ILE B 87 28.111 12.863 31.914 1.00 26.58 C ATOM 1697 CG2 ILE B 87 30.602 12.636 32.235 1.00 25.93 C ATOM 1698 CD1 ILE B 87 27.785 13.982 32.874 1.00 28.88 C ATOM 1699 H ILE B 87 27.382 10.265 32.906 1.00 0.00 H ATOM 1700 N ALA B 88 31.289 9.789 30.903 1.00 21.40 N ATOM 1701 CA ALA B 88 32.582 9.103 30.952 1.00 21.77 C ATOM 1702 C ALA B 88 33.716 10.098 30.959 1.00 23.09 C ATOM 1703 O ALA B 88 33.875 10.848 29.997 1.00 22.82 O ATOM 1704 CB ALA B 88 32.738 8.206 29.739 1.00 20.99 C ATOM 1705 H ALA B 88 31.036 10.298 30.032 1.00 0.00 H ATOM 1706 N LEU B 89 34.503 10.095 32.024 1.00 24.28 N ATOM 1707 CA LEU B 89 35.744 10.871 32.088 1.00 25.83 C ATOM 1708 C LEU B 89 36.970 9.982 31.859 1.00 26.65 C ATOM 1709 O LEU B 89 36.964 8.794 32.147 1.00 25.57 O ATOM 1710 CB LEU B 89 35.892 11.511 33.452 1.00 27.58 C ATOM 1711 CG LEU B 89 34.746 12.398 33.934 1.00 27.94 C ATOM 1712 CD1 LEU B 89 35.100 13.011 35.279 1.00 30.46 C ATOM 1713 CD2 LEU B 89 34.392 13.479 32.898 1.00 27.97 C ATOM 1714 H LEU B 89 34.230 9.520 32.846 1.00 0.00 H ATOM 1715 N CYS B 90 38.042 10.546 31.340 1.00 27.78 N ATOM 1716 CA CYS B 90 39.304 9.811 31.383 1.00 30.27 C ATOM 1717 C CYS B 90 39.649 9.499 32.849 1.00 31.23 C ATOM 1718 O CYS B 90 39.642 10.391 33.694 1.00 31.01 O ATOM 1719 CB CYS B 90 40.409 10.603 30.748 1.00 33.10 C ATOM 1720 SG CYS B 90 41.987 9.734 30.922 1.00 34.92 S ATOM 1721 H CYS B 90 37.991 11.492 30.910 1.00 0.00 H ATOM 1722 N GLY B 91 39.922 8.233 33.154 1.00 31.98 N ATOM 1723 CA GLY B 91 40.196 7.820 34.525 1.00 34.09 C ATOM 1724 C GLY B 91 41.524 8.326 35.064 1.00 36.69 C ATOM 1725 O GLY B 91 41.746 8.375 36.272 1.00 39.74 O ATOM 1726 H GLY B 91 39.940 7.521 32.396 1.00 0.00 H ATOM 1727 N GLN B 92 42.417 8.687 34.154 1.00 37.61 N ATOM 1728 CA GLN B 92 43.759 9.090 34.488 1.00 40.68 C ATOM 1729 C GLN B 92 43.827 10.593 34.681 1.00 41.40 C ATOM 1730 O GLN B 92 44.312 11.036 35.726 1.00 43.65 O ATOM 1731 CB GLN B 92 44.704 8.595 33.392 1.00 41.65 C ATOM 1732 CG GLN B 92 46.161 8.708 33.730 1.00 44.80 C ATOM 1733 CD GLN B 92 46.995 7.621 33.042 1.00 45.76 C ATOM 1734 OE1 GLN B 92 47.229 6.529 33.597 1.00 44.87 O ATOM 1735 NE2 GLN B 92 47.474 7.934 31.834 1.00 45.65 N ATOM 1736 HE22 GLN B 92 47.252 8.857 31.410 1.00 0.00 H ATOM 1737 HE21 GLN B 92 48.068 7.254 31.318 1.00 0.00 H ATOM 1738 H GLN B 92 42.136 8.679 33.153 1.00 0.00 H ATOM 1739 N CYS B 93 43.306 11.368 33.726 1.00 40.55 N ATOM 1740 CA CYS B 93 43.402 12.843 33.777 1.00 41.30 C ATOM 1741 C CYS B 93 42.091 13.623 33.941 1.00 40.22 C ATOM 1742 O CYS B 93 42.126 14.835 34.116 1.00 41.02 O ATOM 1743 CB CYS B 93 44.148 13.368 32.539 1.00 42.94 C ATOM 1744 SG CYS B 93 43.165 13.284 31.051 1.00 41.81 S ATOM 1745 H CYS B 93 42.819 10.921 32.923 1.00 0.00 H ATOM 1746 N GLY B 94 40.942 12.968 33.862 1.00 37.78 N ATOM 1747 CA GLY B 94 39.649 13.635 34.118 1.00 36.79 C ATOM 1748 C GLY B 94 38.965 14.295 32.929 1.00 35.59 C ATOM 1749 O GLY B 94 37.852 14.804 33.075 1.00 36.00 O ATOM 1750 H GLY B 94 40.951 11.958 33.613 1.00 0.00 H ATOM 1751 N SER B 95 39.586 14.255 31.749 1.00 34.99 N ATOM 1752 CA SER B 95 38.985 14.864 30.535 1.00 34.32 C ATOM 1753 C SER B 95 37.617 14.242 30.247 1.00 31.94 C ATOM 1754 O SER B 95 37.480 13.027 30.363 1.00 30.57 O ATOM 1755 CB SER B 95 39.926 14.649 29.339 1.00 35.15 C ATOM 1756 OG SER B 95 39.388 15.127 28.129 1.00 36.40 O ATOM 1757 HG SER B 95 40.032 14.964 27.395 1.00 0.00 H ATOM 1758 H SER B 95 40.512 13.787 31.678 1.00 0.00 H ATOM 1759 N HIS B 96 36.613 15.052 29.900 1.00 30.76 N ATOM 1760 CA HIS B 96 35.306 14.497 29.487 1.00 28.47 C ATOM 1761 C HIS B 96 35.419 13.868 28.100 1.00 27.03 C ATOM 1762 O HIS B 96 35.550 14.582 27.099 1.00 27.31 O ATOM 1763 CB HIS B 96 34.176 15.522 29.488 1.00 29.38 C ATOM 1764 CG HIS B 96 32.866 14.977 28.984 1.00 29.11 C ATOM 1765 ND1 HIS B 96 31.964 15.716 28.238 1.00 29.54 N ATOM 1766 CD2 HIS B 96 32.322 13.737 29.097 1.00 28.13 C ATOM 1767 CE1 HIS B 96 30.928 14.959 27.923 1.00 28.60 C ATOM 1768 NE2 HIS B 96 31.097 13.765 28.469 1.00 27.59 N ATOM 1769 H HIS B 96 36.752 16.082 29.920 1.00 0.00 H ATOM 1770 N LEU B 97 35.369 12.535 28.026 1.00 24.01 N ATOM 1771 CA LEU B 97 35.603 11.849 26.783 1.00 23.15 C ATOM 1772 C LEU B 97 34.354 11.332 26.108 1.00 21.74 C ATOM 1773 O LEU B 97 34.409 10.967 24.923 1.00 21.70 O ATOM 1774 CB LEU B 97 36.569 10.691 26.993 1.00 23.52 C ATOM 1775 CG LEU B 97 38.004 11.102 27.371 1.00 25.32 C ATOM 1776 CD1 LEU B 97 38.898 9.886 27.326 1.00 25.67 C ATOM 1777 CD2 LEU B 97 38.535 12.150 26.438 1.00 26.55 C ATOM 1778 H LEU B 97 35.157 11.983 28.882 1.00 0.00 H ATOM 1779 N GLY B 98 33.245 11.242 26.830 1.00 20.40 N ATOM 1780 CA GLY B 98 31.996 10.829 26.208 1.00 19.42 C ATOM 1781 C GLY B 98 30.994 10.302 27.220 1.00 18.59 C ATOM 1782 O GLY B 98 30.810 10.895 28.286 1.00 18.65 O ATOM 1783 H GLY B 98 33.268 11.468 27.845 1.00 0.00 H ATOM 1784 N TRP B 99 30.341 9.216 26.835 1.00 17.76 N ATOM 1785 CA TRP B 99 29.269 8.612 27.623 1.00 17.89 C ATOM 1786 C TRP B 99 29.260 7.116 27.458 1.00 17.81 C ATOM 1787 O TRP B 99 29.662 6.609 26.414 1.00 17.64 O ATOM 1788 CB TRP B 99 27.871 9.100 27.118 1.00 18.63 C ATOM 1789 CG TRP B 99 27.733 10.585 27.200 1.00 19.28 C ATOM 1790 CD1 TRP B 99 27.229 11.272 28.228 1.00 20.30 C ATOM 1791 CD2 TRP B 99 28.194 11.554 26.255 1.00 19.81 C ATOM 1792 NE1 TRP B 99 27.287 12.623 27.988 1.00 21.12 N ATOM 1793 CE2 TRP B 99 27.910 12.831 26.798 1.00 20.34 C ATOM 1794 CE3 TRP B 99 28.824 11.479 25.004 1.00 20.07 C ATOM 1795 CZ2 TRP B 99 28.185 14.006 26.113 1.00 21.23 C ATOM 1796 CZ3 TRP B 99 29.140 12.689 24.348 1.00 20.08 C ATOM 1797 CH2 TRP B 99 28.825 13.895 24.920 1.00 20.46 C ATOM 1798 HE1 TRP B 99 26.915 13.365 28.614 1.00 0.00 H ATOM 1799 H TRP B 99 30.603 8.773 25.931 1.00 0.00 H ATOM 1800 N HIS B 100 28.793 6.418 28.477 1.00 17.79 N ATOM 1801 CA HIS B 100 28.530 4.997 28.393 1.00 18.17 C ATOM 1802 C HIS B 100 27.046 4.802 28.352 1.00 18.28 C ATOM 1803 O HIS B 100 26.336 5.448 29.115 1.00 19.57 O ATOM 1804 CB HIS B 100 29.088 4.279 29.605 1.00 19.20 C ATOM 1805 CG HIS B 100 29.048 2.797 29.476 1.00 19.89 C ATOM 1806 ND1 HIS B 100 28.449 1.976 30.403 1.00 22.45 N ATOM 1807 CD2 HIS B 100 29.537 1.983 28.519 1.00 20.52 C ATOM 1808 CE1 HIS B 100 28.588 0.718 30.022 1.00 22.11 C ATOM 1809 NE2 HIS B 100 29.253 0.696 28.886 1.00 21.18 N ATOM 1810 H HIS B 100 28.607 6.908 29.375 1.00 0.00 H ATOM 1811 N TYR B 101 26.604 3.892 27.491 1.00 18.08 N ATOM 1812 CA TYR B 101 25.191 3.566 27.301 1.00 18.32 C ATOM 1813 C TYR B 101 24.929 2.173 27.822 1.00 19.51 C ATOM 1814 O TYR B 101 25.738 1.270 27.617 1.00 19.36 O ATOM 1815 CB TYR B 101 24.836 3.670 25.821 1.00 18.00 C ATOM 1816 CG TYR B 101 24.864 5.115 25.368 1.00 17.74 C ATOM 1817 CD1 TYR B 101 23.742 5.952 25.539 1.00 18.43 C ATOM 1818 CD2 TYR B 101 26.041 5.691 24.892 1.00 17.22 C ATOM 1819 CE1 TYR B 101 23.815 7.293 25.186 1.00 17.89 C ATOM 1820 CE2 TYR B 101 26.103 7.041 24.570 1.00 16.91 C ATOM 1821 CZ TYR B 101 25.004 7.824 24.716 1.00 17.60 C ATOM 1822 OH TYR B 101 25.036 9.160 24.371 1.00 18.51 O ATOM 1823 HH TYR B 101 24.150 9.566 24.545 1.00 0.00 H ATOM 1824 H TYR B 101 27.305 3.381 26.918 1.00 0.00 H ATOM 1825 N GLU B 102 23.788 2.007 28.486 1.00 20.58 N ATOM 1826 CA GLU B 102 23.400 0.712 29.019 1.00 22.52 C ATOM 1827 C GLU B 102 21.898 0.553 28.991 1.00 24.36 C ATOM 1828 O GLU B 102 21.147 1.514 28.820 1.00 24.20 O ATOM 1829 CB GLU B 102 23.854 0.552 30.478 1.00 23.35 C ATOM 1830 H GLU B 102 23.159 2.823 28.627 1.00 0.00 H ATOM 1831 N GLY B 103 21.471 -0.671 29.249 1.00 26.90 N ATOM 1832 CA GLY B 103 20.057 -0.964 29.448 1.00 29.00 C ATOM 1833 C GLY B 103 19.308 -1.285 28.173 1.00 30.94 C ATOM 1834 O GLY B 103 18.095 -1.496 28.212 1.00 31.41 O ATOM 1835 H GLY B 103 22.162 -1.446 29.312 1.00 0.00 H ATOM 1836 N GLY B 104 20.018 -1.408 27.054 1.00 31.07 N ATOM 1837 CA GLY B 104 19.374 -1.732 25.769 1.00 33.34 C ATOM 1838 C GLY B 104 19.513 -3.203 25.406 1.00 35.32 C ATOM 1839 O GLY B 104 19.670 -4.062 26.264 1.00 34.34 O ATOM 1840 H GLY B 104 21.049 -1.273 27.087 1.00 0.00 H ATOM 1841 N SER B 105 19.453 -3.480 24.109 1.00 37.74 N ATOM 1842 CA SER B 105 19.575 -4.847 23.588 1.00 39.46 C ATOM 1843 C SER B 105 20.379 -4.790 22.302 1.00 38.61 C ATOM 1844 O SER B 105 20.180 -3.891 21.486 1.00 38.65 O ATOM 1845 CB SER B 105 18.201 -5.439 23.279 1.00 43.53 C ATOM 1846 OG SER B 105 17.592 -4.698 22.235 1.00 45.96 O ATOM 1847 HG SER B 105 18.161 -4.742 21.426 1.00 0.00 H ATOM 1848 H SER B 105 19.314 -2.699 23.437 1.00 0.00 H ATOM 1849 N GLN B 106 21.290 -5.739 22.126 1.00 37.97 N ATOM 1850 CA GLN B 106 22.000 -5.931 20.872 1.00 38.10 C ATOM 1851 C GLN B 106 22.647 -4.631 20.363 1.00 35.72 C ATOM 1852 O GLN B 106 22.265 -4.128 19.310 1.00 35.96 O ATOM 1853 CB GLN B 106 21.053 -6.536 19.806 1.00 41.13 C ATOM 1854 CG GLN B 106 20.255 -7.747 20.260 1.00 43.78 C ATOM 1855 CD GLN B 106 19.667 -8.549 19.106 1.00 47.03 C ATOM 1856 OE1 GLN B 106 18.546 -9.028 19.193 1.00 49.34 O ATOM 1857 NE2 GLN B 106 20.440 -8.730 18.031 1.00 47.94 N ATOM 1858 HE22 GLN B 106 21.389 -8.305 17.995 1.00 0.00 H ATOM 1859 HE21 GLN B 106 20.093 -9.295 17.230 1.00 0.00 H ATOM 1860 H GLN B 106 21.506 -6.374 22.921 1.00 0.00 H ATOM 1861 N PRO B 107 23.624 -4.081 21.079 1.00 31.97 N ATOM 1862 CA PRO B 107 24.202 -4.626 22.298 1.00 31.25 C ATOM 1863 C PRO B 107 23.538 -4.077 23.545 1.00 29.99 C ATOM 1864 O PRO B 107 22.820 -3.075 23.472 1.00 30.38 O ATOM 1865 CB PRO B 107 25.631 -4.115 22.230 1.00 29.98 C ATOM 1866 CG PRO B 107 25.501 -2.773 21.596 1.00 29.39 C ATOM 1867 CD PRO B 107 24.386 -2.918 20.584 1.00 30.62 C ATOM 1868 N GLN B 108 23.770 -4.696 24.682 1.00 28.52 N ATOM 1869 CA GLN B 108 23.217 -4.176 25.925 1.00 28.41 C ATOM 1870 C GLN B 108 23.876 -2.874 26.339 1.00 26.24 C ATOM 1871 O GLN B 108 23.215 -2.002 26.906 1.00 26.11 O ATOM 1872 CB GLN B 108 23.356 -5.201 27.055 1.00 30.24 C ATOM 1873 CG GLN B 108 22.384 -6.354 26.930 1.00 33.90 C ATOM 1874 CD GLN B 108 22.216 -7.129 28.220 1.00 36.11 C ATOM 1875 OE1 GLN B 108 22.963 -6.972 29.203 1.00 38.10 O ATOM 1876 NE2 GLN B 108 21.232 -7.967 28.226 1.00 39.85 N ATOM 1877 HE22 GLN B 108 20.631 -8.069 27.384 1.00 0.00 H ATOM 1878 HE21 GLN B 108 21.042 -8.540 29.073 1.00 0.00 H ATOM 1879 H GLN B 108 24.350 -5.559 24.694 1.00 0.00 H ATOM 1880 N THR B 109 25.177 -2.773 26.074 1.00 24.13 N ATOM 1881 CA THR B 109 25.976 -1.585 26.424 1.00 23.62 C ATOM 1882 C THR B 109 26.939 -1.219 25.307 1.00 22.46 C ATOM 1883 O THR B 109 27.288 -2.073 24.477 1.00 23.51 O ATOM 1884 CB THR B 109 26.822 -1.841 27.688 1.00 23.82 C ATOM 1885 OG1 THR B 109 27.845 -2.793 27.403 1.00 24.93 O ATOM 1886 CG2 THR B 109 25.980 -2.350 28.823 1.00 25.54 C ATOM 1887 HG1 THR B 109 27.431 -3.643 27.109 1.00 0.00 H ATOM 1888 H THR B 109 25.650 -3.568 25.599 1.00 0.00 H ATOM 1889 N PHE B 110 27.350 0.042 25.280 1.00 19.99 N ATOM 1890 CA PHE B 110 28.380 0.528 24.350 1.00 18.99 C ATOM 1891 C PHE B 110 28.786 1.944 24.797 1.00 17.86 C ATOM 1892 O PHE B 110 28.209 2.493 25.729 1.00 17.32 O ATOM 1893 CB PHE B 110 27.851 0.536 22.901 1.00 19.26 C ATOM 1894 CG PHE B 110 26.791 1.560 22.644 1.00 19.43 C ATOM 1895 CD1 PHE B 110 25.440 1.270 22.890 1.00 20.07 C ATOM 1896 CD2 PHE B 110 27.129 2.795 22.116 1.00 19.00 C ATOM 1897 CE1 PHE B 110 24.459 2.242 22.635 1.00 20.67 C ATOM 1898 CE2 PHE B 110 26.163 3.735 21.847 1.00 19.27 C ATOM 1899 CZ PHE B 110 24.842 3.479 22.136 1.00 20.02 C ATOM 1900 H PHE B 110 26.924 0.717 25.947 1.00 0.00 H ATOM 1901 N PHE B 111 29.788 2.499 24.152 1.00 16.87 N ATOM 1902 CA PHE B 111 30.303 3.834 24.438 1.00 16.48 C ATOM 1903 C PHE B 111 30.075 4.769 23.258 1.00 16.48 C ATOM 1904 O PHE B 111 30.260 4.379 22.110 1.00 17.57 O ATOM 1905 CB PHE B 111 31.819 3.789 24.738 1.00 16.68 C ATOM 1906 CG PHE B 111 32.166 3.227 26.065 1.00 16.83 C ATOM 1907 CD1 PHE B 111 32.343 1.861 26.225 1.00 17.97 C ATOM 1908 CD2 PHE B 111 32.266 4.042 27.170 1.00 17.17 C ATOM 1909 CE1 PHE B 111 32.704 1.345 27.462 1.00 18.37 C ATOM 1910 CE2 PHE B 111 32.581 3.539 28.419 1.00 18.52 C ATOM 1911 CZ PHE B 111 32.805 2.171 28.562 1.00 18.35 C ATOM 1912 H PHE B 111 30.241 1.953 23.392 1.00 0.00 H ATOM 1913 N GLY B 112 29.772 6.023 23.562 1.00 16.24 N ATOM 1914 CA GLY B 112 29.798 7.101 22.589 1.00 16.80 C ATOM 1915 C GLY B 112 30.920 8.047 23.031 1.00 16.75 C ATOM 1916 O GLY B 112 30.800 8.683 24.072 1.00 17.25 O ATOM 1917 H GLY B 112 29.503 6.245 24.542 1.00 0.00 H ATOM 1918 N LEU B 113 32.008 8.096 22.270 1.00 16.88 N ATOM 1919 CA LEU B 113 33.179 8.877 22.664 1.00 17.95 C ATOM 1920 C LEU B 113 33.328 10.067 21.719 1.00 18.66 C ATOM 1921 O LEU B 113 33.023 9.973 20.525 1.00 18.85 O ATOM 1922 CB LEU B 113 34.455 8.035 22.636 1.00 18.40 C ATOM 1923 CG LEU B 113 34.399 6.802 23.554 1.00 18.76 C ATOM 1924 CD1 LEU B 113 35.715 6.042 23.468 1.00 19.44 C ATOM 1925 CD2 LEU B 113 34.050 7.160 24.977 1.00 19.12 C ATOM 1926 H LEU B 113 32.027 7.567 21.375 1.00 0.00 H ATOM 1927 N ILE B 114 33.815 11.169 22.255 1.00 19.13 N ATOM 1928 CA ILE B 114 33.950 12.410 21.487 1.00 19.49 C ATOM 1929 C ILE B 114 35.219 12.328 20.640 1.00 20.35 C ATOM 1930 O ILE B 114 36.329 12.347 21.175 1.00 19.95 O ATOM 1931 CB ILE B 114 33.937 13.632 22.416 1.00 20.61 C ATOM 1932 CG1 ILE B 114 32.650 13.683 23.248 1.00 20.51 C ATOM 1933 CG2 ILE B 114 34.024 14.913 21.585 1.00 21.69 C ATOM 1934 CD1 ILE B 114 32.768 14.522 24.487 1.00 21.38 C ATOM 1935 H ILE B 114 34.112 11.157 23.252 1.00 0.00 H ATOM 1936 N LYS B 115 35.041 12.200 19.320 1.00 20.68 N ATOM 1937 CA LYS B 115 36.145 11.931 18.405 1.00 22.43 C ATOM 1938 C LYS B 115 37.294 12.903 18.577 1.00 23.33 C ATOM 1939 O LYS B 115 38.450 12.459 18.637 1.00 24.83 O ATOM 1940 CB LYS B 115 35.669 11.923 16.941 1.00 22.93 C ATOM 1941 CG LYS B 115 36.748 11.717 15.857 1.00 24.65 C ATOM 1942 CD LYS B 115 37.580 10.443 16.015 1.00 24.81 C ATOM 1943 CE LYS B 115 38.460 10.189 14.782 1.00 26.63 C ATOM 1944 NZ LYS B 115 39.477 11.240 14.565 1.00 28.33 N ATOM 1945 HZ1 LYS B 115 39.004 12.156 14.430 1.00 0.00 H ATOM 1946 HZ2 LYS B 115 40.104 11.291 15.394 1.00 0.00 H ATOM 1947 HZ3 LYS B 115 40.037 11.010 13.719 1.00 0.00 H ATOM 1948 H LYS B 115 34.081 12.296 18.932 1.00 0.00 H ATOM 1949 N ASP B 116 37.018 14.202 18.677 1.00 23.66 N ATOM 1950 CA ASP B 116 38.035 15.258 18.798 1.00 25.47 C ATOM 1951 C ASP B 116 38.871 15.224 20.048 1.00 26.13 C ATOM 1952 O ASP B 116 39.876 15.947 20.169 1.00 26.44 O ATOM 1953 CB ASP B 116 37.342 16.629 18.860 1.00 25.90 C ATOM 1954 CG ASP B 116 36.907 17.081 17.560 1.00 26.51 C ATOM 1955 OD1 ASP B 116 37.354 16.498 16.569 1.00 26.86 O ATOM 1956 OD2 ASP B 116 36.159 18.074 17.514 1.00 27.28 O ATOM 1957 H ASP B 116 36.018 14.489 18.669 1.00 0.00 H ATOM 1958 N ARG B 117 38.402 14.449 21.039 1.00 25.20 N ATOM 1959 CA ARG B 117 39.085 14.338 22.325 1.00 26.96 C ATOM 1960 C ARG B 117 39.960 13.092 22.433 1.00 26.36 C ATOM 1961 O ARG B 117 40.534 12.836 23.477 1.00 27.37 O ATOM 1962 CB ARG B 117 38.052 14.434 23.434 1.00 28.98 C ATOM 1963 CG ARG B 117 37.331 15.775 23.327 1.00 31.42 C ATOM 1964 CD ARG B 117 36.443 16.082 24.498 1.00 33.61 C ATOM 1965 NE ARG B 117 35.535 17.197 24.171 1.00 36.33 N ATOM 1966 CZ ARG B 117 34.635 17.709 25.012 1.00 38.22 C ATOM 1967 NH1 ARG B 117 34.525 17.231 26.254 1.00 38.35 N ATOM 1968 NH2 ARG B 117 33.856 18.711 24.599 1.00 38.73 N ATOM 1969 HE ARG B 117 35.601 17.612 23.220 1.00 0.00 H ATOM 1970 HH12 ARG B 117 33.822 17.634 26.906 1.00 0.00 H ATOM 1971 HH11 ARG B 117 35.143 16.456 26.570 1.00 0.00 H ATOM 1972 HH22 ARG B 117 33.150 19.120 25.244 1.00 0.00 H ATOM 1973 HH21 ARG B 117 33.955 19.082 23.633 1.00 0.00 H ATOM 1974 H ARG B 117 37.525 13.911 20.886 1.00 0.00 H ATOM 1975 N LEU B 118 40.050 12.338 21.343 1.00 24.78 N ATOM 1976 CA LEU B 118 40.866 11.137 21.225 1.00 25.10 C ATOM 1977 C LEU B 118 41.977 11.366 20.192 1.00 26.06 C ATOM 1978 O LEU B 118 41.808 12.153 19.269 1.00 26.19 O ATOM 1979 CB LEU B 118 40.010 9.960 20.746 1.00 24.33 C ATOM 1980 CG LEU B 118 38.825 9.570 21.637 1.00 23.51 C ATOM 1981 CD1 LEU B 118 37.991 8.480 20.965 1.00 22.92 C ATOM 1982 CD2 LEU B 118 39.318 9.136 23.008 1.00 24.70 C ATOM 1983 H LEU B 118 39.496 12.627 20.511 1.00 0.00 H ATOM 1984 N ALA B 119 43.064 10.627 20.336 1.00 26.72 N ATOM 1985 CA ALA B 119 44.129 10.612 19.334 1.00 28.48 C ATOM 1986 C ALA B 119 44.330 9.173 18.902 1.00 28.46 C ATOM 1987 O ALA B 119 44.529 8.303 19.736 1.00 29.20 O ATOM 1988 CB ALA B 119 45.415 11.155 19.916 1.00 30.53 C ATOM 1989 H ALA B 119 43.165 10.039 21.188 1.00 0.00 H ATOM 1990 N GLU B 120 44.313 8.926 17.598 1.00 28.63 N ATOM 1991 CA GLU B 120 44.486 7.599 17.038 1.00 29.23 C ATOM 1992 C GLU B 120 45.958 7.303 16.687 1.00 30.87 C ATOM 1993 O GLU B 120 46.650 8.142 16.168 1.00 30.98 O ATOM 1994 CB GLU B 120 43.648 7.478 15.772 1.00 29.59 C ATOM 1995 CG GLU B 120 43.558 6.036 15.277 1.00 30.72 C ATOM 1996 CD GLU B 120 42.507 5.804 14.214 1.00 31.29 C ATOM 1997 OE1 GLU B 120 42.013 6.766 13.670 1.00 33.06 O ATOM 1998 OE2 GLU B 120 42.207 4.640 13.926 1.00 33.24 O ATOM 1999 H GLU B 120 44.169 9.723 16.946 1.00 0.00 H ATOM 2000 N GLY B 121 46.424 6.098 16.996 1.00 31.70 N ATOM 2001 CA GLY B 121 47.809 5.775 16.697 1.00 35.05 C ATOM 2002 C GLY B 121 48.081 4.301 16.829 1.00 36.25 C ATOM 2003 O GLY B 121 47.193 3.523 17.165 1.00 33.92 O ATOM 2004 H GLY B 121 45.805 5.394 17.447 1.00 0.00 H ATOM 2005 N PRO B 122 49.322 3.899 16.555 1.00 39.01 N ATOM 2006 CA PRO B 122 49.674 2.489 16.692 1.00 41.19 C ATOM 2007 C PRO B 122 49.650 2.021 18.140 1.00 42.48 C ATOM 2008 O PRO B 122 49.876 2.819 19.055 1.00 42.72 O ATOM 2009 CB PRO B 122 51.099 2.412 16.124 1.00 43.02 C ATOM 2010 CG PRO B 122 51.314 3.675 15.373 1.00 43.58 C ATOM 2011 CD PRO B 122 50.428 4.703 16.013 1.00 41.84 C ATOM 2012 N ALA B 123 49.333 0.741 18.327 1.00 44.90 N ATOM 2013 CA ALA B 123 49.250 0.118 19.653 1.00 46.44 C ATOM 2014 C ALA B 123 50.601 0.022 20.361 1.00 49.40 C ATOM 2015 O ALA B 123 51.647 0.000 19.705 1.00 53.54 O ATOM 2016 CB ALA B 123 48.639 -1.275 19.528 1.00 47.36 C ATOM 2017 H ALA B 123 49.134 0.154 17.492 1.00 0.00 H TER 2018 ALA B 123 ATOM 2019 N GLY C 18 23.706 11.273 -13.779 1.00 64.04 N ATOM 2020 CA GLY C 18 23.178 11.022 -12.403 1.00 63.81 C ATOM 2021 C GLY C 18 23.939 9.924 -11.680 1.00 62.06 C ATOM 2022 O GLY C 18 24.735 10.196 -10.769 1.00 61.27 O ATOM 2023 HN3 GLY C 18 23.627 10.403 -14.343 1.00 0.00 H ATOM 2024 HN2 GLY C 18 24.704 11.560 -13.719 1.00 0.00 H ATOM 2025 HN1 GLY C 18 23.153 12.030 -14.229 1.00 0.00 H ATOM 2026 N ALA C 19 23.666 8.686 -12.098 1.00 60.58 N ATOM 2027 CA ALA C 19 24.309 7.484 -11.573 1.00 59.00 C ATOM 2028 C ALA C 19 24.846 6.673 -12.749 1.00 57.62 C ATOM 2029 O ALA C 19 24.251 5.660 -13.139 1.00 57.82 O ATOM 2030 CB ALA C 19 23.317 6.663 -10.756 1.00 59.55 C ATOM 2031 H ALA C 19 22.951 8.570 -12.844 1.00 0.00 H ATOM 2032 N SER C 20 25.948 7.153 -13.333 1.00 56.30 N ATOM 2033 CA SER C 20 26.602 6.488 -14.474 1.00 54.67 C ATOM 2034 C SER C 20 27.896 5.743 -14.099 1.00 52.45 C ATOM 2035 O SER C 20 28.275 4.799 -14.791 1.00 51.31 O ATOM 2036 CB SER C 20 26.864 7.484 -15.613 1.00 55.99 C ATOM 2037 OG SER C 20 27.719 8.530 -15.224 1.00 57.15 O ATOM 2038 HG SER C 20 27.857 9.143 -15.989 1.00 0.00 H ATOM 2039 H SER C 20 26.362 8.034 -12.966 1.00 0.00 H ATOM 2040 N ILE C 21 28.580 6.182 -13.037 1.00 51.20 N ATOM 2041 CA ILE C 21 29.711 5.425 -12.451 1.00 49.01 C ATOM 2042 C ILE C 21 29.388 5.009 -11.010 1.00 47.87 C ATOM 2043 O ILE C 21 28.783 5.783 -10.256 1.00 48.68 O ATOM 2044 CB ILE C 21 31.023 6.227 -12.474 1.00 49.34 C ATOM 2045 H ILE C 21 28.308 7.089 -12.606 1.00 0.00 H ATOM 2046 N PHE C 22 29.769 3.778 -10.660 1.00 45.94 N ATOM 2047 CA PHE C 22 29.605 3.189 -9.323 1.00 45.03 C ATOM 2048 C PHE C 22 30.969 3.015 -8.688 1.00 44.00 C ATOM 2049 O PHE C 22 31.916 2.692 -9.397 1.00 42.34 O ATOM 2050 CB PHE C 22 29.046 1.792 -9.432 1.00 44.39 C ATOM 2051 H PHE C 22 30.217 3.189 -11.391 1.00 0.00 H ATOM 2052 N ARG C 23 31.039 3.101 -7.356 1.00 44.22 N ATOM 2053 CA ARG C 23 32.333 3.042 -6.661 1.00 43.60 C ATOM 2054 C ARG C 23 32.249 2.854 -5.144 1.00 43.25 C ATOM 2055 O ARG C 23 31.257 3.223 -4.509 1.00 44.51 O ATOM 2056 CB ARG C 23 33.146 4.286 -6.998 1.00 44.03 C ATOM 2057 CG ARG C 23 32.403 5.546 -6.751 1.00 45.49 C ATOM 2058 CD ARG C 23 33.225 6.768 -6.990 1.00 45.89 C ATOM 2059 NE ARG C 23 33.298 7.049 -8.412 1.00 46.01 N ATOM 2060 CZ ARG C 23 34.294 6.715 -9.222 1.00 45.87 C ATOM 2061 NH1 ARG C 23 35.391 6.081 -8.773 1.00 45.25 N ATOM 2062 NH2 ARG C 23 34.197 7.047 -10.501 1.00 46.42 N ATOM 2063 HE ARG C 23 32.496 7.559 -8.835 1.00 0.00 H ATOM 2064 HH12 ARG C 23 36.155 5.833 -9.433 1.00 0.00 H ATOM 2065 HH11 ARG C 23 35.476 5.839 -7.765 1.00 0.00 H ATOM 2066 HH22 ARG C 23 34.961 6.800 -11.162 1.00 0.00 H ATOM 2067 HH21 ARG C 23 33.357 7.555 -10.844 1.00 0.00 H ATOM 2068 H ARG C 23 30.165 3.211 -6.803 1.00 0.00 H ATOM 2069 N CYS C 24 33.317 2.277 -4.576 1.00 41.43 N ATOM 2070 CA CYS C 24 33.335 1.828 -3.179 1.00 41.03 C ATOM 2071 C CYS C 24 32.913 2.931 -2.206 1.00 42.15 C ATOM 2072 O CYS C 24 33.464 4.031 -2.258 1.00 42.08 O ATOM 2073 CB CYS C 24 34.742 1.335 -2.785 1.00 39.44 C ATOM 2074 SG CYS C 24 34.977 1.137 -0.999 1.00 38.93 S ATOM 2075 H CYS C 24 34.172 2.141 -5.152 1.00 0.00 H ATOM 2076 N ARG C 25 31.952 2.633 -1.326 1.00 44.02 N ATOM 2077 CA ARG C 25 31.462 3.620 -0.363 1.00 45.62 C ATOM 2078 C ARG C 25 32.513 4.025 0.662 1.00 46.42 C ATOM 2079 O ARG C 25 32.530 5.176 1.099 1.00 47.74 O ATOM 2080 CB ARG C 25 30.190 3.115 0.357 1.00 47.05 C ATOM 2081 H ARG C 25 31.543 1.677 -1.326 1.00 0.00 H ATOM 2082 N GLN C 26 33.396 3.095 1.028 1.00 46.39 N ATOM 2083 CA GLN C 26 34.387 3.334 2.087 1.00 46.64 C ATOM 2084 C GLN C 26 35.521 4.241 1.634 1.00 44.71 C ATOM 2085 O GLN C 26 35.932 5.150 2.371 1.00 46.15 O ATOM 2086 CB GLN C 26 34.928 1.989 2.605 1.00 47.93 C ATOM 2087 CG GLN C 26 35.976 2.089 3.715 1.00 49.24 C ATOM 2088 CD GLN C 26 36.196 0.771 4.456 1.00 50.89 C ATOM 2089 OE1 GLN C 26 35.240 0.073 4.804 1.00 53.40 O ATOM 2090 NE2 GLN C 26 37.465 0.433 4.711 1.00 51.10 N ATOM 2091 HE22 GLN C 26 38.241 1.052 4.399 1.00 0.00 H ATOM 2092 HE21 GLN C 26 37.676 -0.448 5.221 1.00 0.00 H ATOM 2093 H GLN C 26 33.383 2.172 0.549 1.00 0.00 H ATOM 2094 N CYS C 27 36.076 3.977 0.447 1.00 42.04 N ATOM 2095 CA CYS C 27 37.240 4.722 -0.048 1.00 40.19 C ATOM 2096 C CYS C 27 37.072 5.344 -1.438 1.00 40.34 C ATOM 2097 O CYS C 27 37.840 6.223 -1.794 1.00 40.08 O ATOM 2098 CB CYS C 27 38.454 3.804 -0.112 1.00 38.10 C ATOM 2099 SG CYS C 27 38.401 2.725 -1.563 1.00 35.72 S ATOM 2100 H CYS C 27 35.672 3.222 -0.143 1.00 0.00 H ATOM 2101 N GLY C 28 36.108 4.853 -2.220 1.00 40.75 N ATOM 2102 CA GLY C 28 35.780 5.436 -3.507 1.00 41.13 C ATOM 2103 C GLY C 28 36.453 4.858 -4.750 1.00 40.71 C ATOM 2104 O GLY C 28 36.354 5.436 -5.844 1.00 41.25 O ATOM 2105 H GLY C 28 35.573 4.023 -1.895 1.00 0.00 H ATOM 2106 N GLN C 29 37.122 3.718 -4.594 1.00 40.18 N ATOM 2107 CA GLN C 29 37.657 2.953 -5.728 1.00 39.29 C ATOM 2108 C GLN C 29 36.566 2.805 -6.796 1.00 39.90 C ATOM 2109 O GLN C 29 35.448 2.364 -6.465 1.00 39.97 O ATOM 2110 CB GLN C 29 38.056 1.569 -5.224 1.00 38.91 C ATOM 2111 CG GLN C 29 38.537 0.562 -6.266 1.00 38.78 C ATOM 2112 CD GLN C 29 40.018 0.674 -6.580 1.00 38.17 C ATOM 2113 OE1 GLN C 29 40.538 1.749 -6.652 1.00 37.87 O ATOM 2114 NE2 GLN C 29 40.694 -0.456 -6.779 1.00 38.50 N ATOM 2115 HE22 GLN C 29 40.207 -1.372 -6.708 1.00 0.00 H ATOM 2116 HE21 GLN C 29 41.708 -0.422 -7.006 1.00 0.00 H ATOM 2117 H GLN C 29 37.272 3.355 -3.631 1.00 0.00 H ATOM 2118 N THR C 30 36.871 3.201 -8.034 1.00 40.72 N ATOM 2119 CA THR C 30 35.989 2.922 -9.197 1.00 42.34 C ATOM 2120 C THR C 30 35.763 1.430 -9.318 1.00 42.96 C ATOM 2121 O THR C 30 36.733 0.658 -9.381 1.00 42.07 O ATOM 2122 CB THR C 30 36.594 3.374 -10.545 1.00 43.15 C ATOM 2123 OG1 THR C 30 36.863 4.777 -10.509 1.00 45.00 O ATOM 2124 CG2 THR C 30 35.615 3.067 -11.714 1.00 43.94 C ATOM 2125 HG1 THR C 30 37.250 5.060 -11.375 1.00 0.00 H ATOM 2126 H THR C 30 37.757 3.723 -8.190 1.00 0.00 H ATOM 2127 N ILE C 31 34.497 1.014 -9.342 1.00 43.96 N ATOM 2128 CA ILE C 31 34.179 -0.392 -9.504 1.00 45.21 C ATOM 2129 C ILE C 31 33.512 -0.672 -10.869 1.00 46.20 C ATOM 2130 O ILE C 31 33.947 -1.587 -11.582 1.00 45.70 O ATOM 2131 CB ILE C 31 33.305 -0.919 -8.343 1.00 46.22 C ATOM 2132 CG1 ILE C 31 33.955 -0.650 -6.965 1.00 46.33 C ATOM 2133 CG2 ILE C 31 33.012 -2.395 -8.542 1.00 47.00 C ATOM 2134 CD1 ILE C 31 35.286 -1.344 -6.691 1.00 46.09 C ATOM 2135 H ILE C 31 33.727 1.706 -9.243 1.00 0.00 H ATOM 2136 N SER C 32 32.482 0.094 -11.237 1.00 47.31 N ATOM 2137 CA SER C 32 31.717 -0.222 -12.460 1.00 48.74 C ATOM 2138 C SER C 32 30.941 0.946 -13.091 1.00 49.96 C ATOM 2139 O SER C 32 30.943 2.067 -12.567 1.00 49.30 O ATOM 2140 CB SER C 32 30.773 -1.393 -12.185 1.00 49.43 C ATOM 2141 OG SER C 32 30.280 -1.931 -13.405 1.00 49.87 O ATOM 2142 HG SER C 32 31.039 -2.251 -13.954 1.00 0.00 H ATOM 2143 H SER C 32 32.217 0.917 -10.659 1.00 0.00 H ATOM 2144 N ARG C 33 30.273 0.645 -14.217 1.00 51.82 N ATOM 2145 CA ARG C 33 29.626 1.633 -15.079 1.00 53.81 C ATOM 2146 C ARG C 33 28.162 1.265 -15.314 1.00 54.72 C ATOM 2147 O ARG C 33 27.794 0.092 -15.262 1.00 53.45 O ATOM 2148 CB ARG C 33 30.336 1.696 -16.441 1.00 55.22 C ATOM 2149 CG ARG C 33 31.812 2.067 -16.384 1.00 56.35 C ATOM 2150 CD ARG C 33 32.416 2.060 -17.782 1.00 57.90 C ATOM 2151 NE ARG C 33 33.876 2.189 -17.774 1.00 58.57 N ATOM 2152 CZ ARG C 33 34.656 2.131 -18.863 1.00 60.25 C ATOM 2153 NH1 ARG C 33 34.139 1.953 -20.083 1.00 61.28 N ATOM 2154 NH2 ARG C 33 35.974 2.255 -18.737 1.00 60.78 N ATOM 2155 HE ARG C 33 34.341 2.336 -16.856 1.00 0.00 H ATOM 2156 HH12 ARG C 33 34.765 1.911 -20.912 1.00 0.00 H ATOM 2157 HH11 ARG C 33 33.110 1.856 -20.203 1.00 0.00 H ATOM 2158 HH22 ARG C 33 36.583 2.211 -19.579 1.00 0.00 H ATOM 2159 HH21 ARG C 33 36.395 2.396 -17.797 1.00 0.00 H ATOM 2160 H ARG C 33 30.212 -0.356 -14.494 1.00 0.00 H ATOM 2161 N ARG C 34 27.342 2.286 -15.573 1.00 57.08 N ATOM 2162 CA ARG C 34 25.926 2.106 -15.946 1.00 59.53 C ATOM 2163 C ARG C 34 25.773 1.355 -17.270 1.00 59.89 C ATOM 2164 O ARG C 34 24.822 0.589 -17.422 1.00 60.05 O ATOM 2165 CB ARG C 34 25.210 3.465 -16.007 1.00 62.02 C ATOM 2166 CG ARG C 34 23.845 3.505 -16.706 1.00 64.50 C ATOM 2167 CD ARG C 34 23.393 4.943 -16.924 1.00 67.01 C ATOM 2168 NE ARG C 34 24.395 5.722 -17.665 1.00 68.92 N ATOM 2169 CZ ARG C 34 24.355 7.043 -17.859 1.00 71.22 C ATOM 2170 NH1 ARG C 34 23.348 7.783 -17.384 1.00 72.79 N ATOM 2171 NH2 ARG C 34 25.341 7.636 -18.534 1.00 71.91 N ATOM 2172 HE ARG C 34 25.200 5.203 -18.071 1.00 0.00 H ATOM 2173 HH12 ARG C 34 23.336 8.810 -17.546 1.00 0.00 H ATOM 2174 HH11 ARG C 34 22.577 7.331 -16.852 1.00 0.00 H ATOM 2175 HH22 ARG C 34 25.319 8.664 -18.690 1.00 0.00 H ATOM 2176 HH21 ARG C 34 26.132 7.070 -18.904 1.00 0.00 H ATOM 2177 H ARG C 34 27.719 3.253 -15.509 1.00 0.00 H ATOM 2178 N ASP C 35 26.695 1.556 -18.216 1.00 60.71 N ATOM 2179 CA ASP C 35 26.677 0.789 -19.479 1.00 61.46 C ATOM 2180 C ASP C 35 26.758 -0.721 -19.239 1.00 60.68 C ATOM 2181 O ASP C 35 26.136 -1.494 -19.972 1.00 61.07 O ATOM 2182 CB ASP C 35 27.807 1.221 -20.422 1.00 62.79 C ATOM 2183 CG ASP C 35 27.590 2.606 -21.016 1.00 64.71 C ATOM 2184 OD1 ASP C 35 26.431 2.972 -21.322 1.00 66.02 O ATOM 2185 OD2 ASP C 35 28.596 3.329 -21.188 1.00 65.76 O ATOM 2186 H ASP C 35 27.439 2.266 -18.061 1.00 0.00 H ATOM 2187 N TRP C 36 27.505 -1.128 -18.211 1.00 59.30 N ATOM 2188 CA TRP C 36 27.629 -2.541 -17.839 1.00 59.32 C ATOM 2189 C TRP C 36 26.518 -3.033 -16.905 1.00 58.66 C ATOM 2190 O TRP C 36 26.496 -4.215 -16.583 1.00 59.32 O ATOM 2191 CB TRP C 36 28.997 -2.828 -17.185 1.00 59.34 C ATOM 2192 CG TRP C 36 30.193 -2.415 -18.009 1.00 60.11 C ATOM 2193 CD1 TRP C 36 30.270 -2.341 -19.375 1.00 61.12 C ATOM 2194 CD2 TRP C 36 31.488 -2.040 -17.516 1.00 59.90 C ATOM 2195 NE1 TRP C 36 31.527 -1.929 -19.757 1.00 61.20 N ATOM 2196 CE2 TRP C 36 32.291 -1.737 -18.636 1.00 60.67 C ATOM 2197 CE3 TRP C 36 32.045 -1.924 -16.236 1.00 59.85 C ATOM 2198 CZ2 TRP C 36 33.625 -1.326 -18.513 1.00 60.84 C ATOM 2199 CZ3 TRP C 36 33.375 -1.519 -16.112 1.00 59.64 C ATOM 2200 CH2 TRP C 36 34.148 -1.227 -17.247 1.00 60.32 C ATOM 2201 HE1 TRP C 36 31.845 -1.787 -20.737 1.00 0.00 H ATOM 2202 H TRP C 36 28.018 -0.416 -17.653 1.00 0.00 H ATOM 2203 N LEU C 37 25.612 -2.146 -16.474 1.00 57.91 N ATOM 2204 CA LEU C 37 24.521 -2.499 -15.545 1.00 57.38 C ATOM 2205 C LEU C 37 23.467 -3.368 -16.227 1.00 57.57 C ATOM 2206 O LEU C 37 22.998 -3.030 -17.319 1.00 57.87 O ATOM 2207 CB LEU C 37 23.851 -1.234 -14.993 1.00 57.47 C ATOM 2208 H LEU C 37 25.680 -1.164 -16.809 1.00 0.00 H ATOM 2209 N LEU C 38 23.087 -4.467 -15.571 1.00 57.13 N ATOM 2210 CA LEU C 38 22.191 -5.473 -16.156 1.00 57.37 C ATOM 2211 C LEU C 38 20.764 -5.349 -15.582 1.00 57.29 C ATOM 2212 O LEU C 38 20.538 -5.718 -14.417 1.00 56.92 O ATOM 2213 CB LEU C 38 22.748 -6.874 -15.879 1.00 58.14 C ATOM 2214 H LEU C 38 23.441 -4.617 -14.605 1.00 0.00 H ATOM 2215 N PRO C 39 19.801 -4.823 -16.384 1.00 56.73 N ATOM 2216 CA PRO C 39 18.427 -4.727 -15.881 1.00 57.08 C ATOM 2217 C PRO C 39 17.707 -6.072 -15.958 1.00 57.04 C ATOM 2218 O PRO C 39 18.097 -6.939 -16.743 1.00 55.93 O ATOM 2219 CB PRO C 39 17.775 -3.730 -16.845 1.00 57.45 C ATOM 2220 CG PRO C 39 18.470 -3.974 -18.138 1.00 57.40 C ATOM 2221 CD PRO C 39 19.889 -4.366 -17.787 1.00 56.87 C ATOM 2222 N MET C 40 16.684 -6.230 -15.120 1.00 57.91 N ATOM 2223 CA MET C 40 15.724 -7.331 -15.211 1.00 58.37 C ATOM 2224 C MET C 40 14.347 -6.671 -15.267 1.00 58.46 C ATOM 2225 O MET C 40 13.874 -6.140 -14.260 1.00 58.29 O ATOM 2226 CB MET C 40 15.838 -8.265 -13.998 1.00 59.41 C ATOM 2227 CG MET C 40 15.060 -9.563 -14.153 1.00 60.38 C ATOM 2228 SD MET C 40 14.678 -10.345 -12.572 1.00 62.20 S ATOM 2229 CE MET C 40 16.239 -11.152 -12.219 1.00 62.18 C ATOM 2230 H MET C 40 16.560 -5.532 -14.359 1.00 0.00 H ATOM 2231 N GLY C 41 13.722 -6.679 -16.450 1.00 58.93 N ATOM 2232 CA GLY C 41 12.450 -5.962 -16.674 1.00 59.16 C ATOM 2233 C GLY C 41 12.661 -4.465 -16.457 1.00 59.70 C ATOM 2234 O GLY C 41 13.585 -3.872 -17.035 1.00 58.33 O ATOM 2235 H GLY C 41 14.146 -7.208 -17.239 1.00 0.00 H ATOM 2236 N GLY C 42 11.849 -3.872 -15.583 1.00 60.96 N ATOM 2237 CA GLY C 42 11.867 -2.429 -15.325 1.00 62.54 C ATOM 2238 C GLY C 42 12.744 -1.948 -14.183 1.00 64.36 C ATOM 2239 O GLY C 42 12.754 -0.749 -13.889 1.00 65.37 O ATOM 2240 H GLY C 42 11.170 -4.461 -15.059 1.00 0.00 H ATOM 2241 N ASP C 43 13.485 -2.855 -13.540 1.00 65.42 N ATOM 2242 CA ASP C 43 14.319 -2.477 -12.393 1.00 66.93 C ATOM 2243 C ASP C 43 15.791 -2.816 -12.620 1.00 66.20 C ATOM 2244 O ASP C 43 16.133 -3.888 -13.129 1.00 65.14 O ATOM 2245 CB ASP C 43 13.790 -3.059 -11.062 1.00 69.01 C ATOM 2246 CG ASP C 43 13.481 -4.552 -11.127 1.00 69.62 C ATOM 2247 OD1 ASP C 43 14.407 -5.352 -11.406 1.00 70.31 O ATOM 2248 OD2 ASP C 43 12.318 -4.924 -10.854 1.00 68.78 O ATOM 2249 H ASP C 43 13.471 -3.845 -13.858 1.00 0.00 H ATOM 2250 N HIS C 44 16.644 -1.859 -12.271 1.00 66.18 N ATOM 2251 CA HIS C 44 18.091 -2.059 -12.253 1.00 66.58 C ATOM 2252 C HIS C 44 18.554 -2.588 -10.894 1.00 66.67 C ATOM 2253 O HIS C 44 19.659 -3.122 -10.787 1.00 65.98 O ATOM 2254 CB HIS C 44 18.808 -0.751 -12.602 1.00 67.08 C ATOM 2255 CG HIS C 44 18.482 -0.245 -13.974 1.00 67.94 C ATOM 2256 ND1 HIS C 44 17.498 0.692 -14.208 1.00 69.22 N ATOM 2257 CD2 HIS C 44 18.991 -0.567 -15.188 1.00 68.35 C ATOM 2258 CE1 HIS C 44 17.423 0.936 -15.504 1.00 69.52 C ATOM 2259 NE2 HIS C 44 18.317 0.183 -16.122 1.00 69.36 N ATOM 2260 H HIS C 44 16.266 -0.929 -11.999 1.00 0.00 H ATOM 2261 N GLU C 45 17.696 -2.453 -9.877 1.00 67.75 N ATOM 2262 CA GLU C 45 17.984 -2.872 -8.507 1.00 68.86 C ATOM 2263 C GLU C 45 17.122 -4.078 -8.114 1.00 69.78 C ATOM 2264 O GLU C 45 16.004 -4.246 -8.617 1.00 69.67 O ATOM 2265 CB GLU C 45 17.714 -1.710 -7.547 1.00 70.22 C ATOM 2266 CG GLU C 45 18.621 -0.513 -7.777 1.00 69.97 C ATOM 2267 CD GLU C 45 18.158 0.756 -7.081 1.00 71.56 C ATOM 2268 OE1 GLU C 45 17.355 0.677 -6.124 1.00 73.49 O ATOM 2269 OE2 GLU C 45 18.619 1.846 -7.493 1.00 71.69 O ATOM 2270 H GLU C 45 16.769 -2.024 -10.073 1.00 0.00 H ATOM 2271 N HIS C 46 17.659 -4.908 -7.218 1.00 70.24 N ATOM 2272 CA HIS C 46 16.961 -6.092 -6.699 1.00 71.12 C ATOM 2273 C HIS C 46 17.045 -6.130 -5.170 1.00 71.73 C ATOM 2274 O HIS C 46 18.143 -6.042 -4.593 1.00 69.99 O ATOM 2275 CB HIS C 46 17.563 -7.363 -7.300 1.00 71.28 C ATOM 2276 CG HIS C 46 17.531 -7.390 -8.798 1.00 70.74 C ATOM 2277 ND1 HIS C 46 18.581 -6.945 -9.572 1.00 69.73 N ATOM 2278 CD2 HIS C 46 16.570 -7.794 -9.663 1.00 71.31 C ATOM 2279 CE1 HIS C 46 18.272 -7.079 -10.850 1.00 69.68 C ATOM 2280 NE2 HIS C 46 17.057 -7.593 -10.933 1.00 70.53 N ATOM 2281 H HIS C 46 18.618 -4.707 -6.870 1.00 0.00 H ATOM 2282 N VAL C 47 15.880 -6.261 -4.532 1.00 72.17 N ATOM 2283 CA VAL C 47 15.770 -6.338 -3.075 1.00 73.35 C ATOM 2284 C VAL C 47 15.985 -7.805 -2.696 1.00 73.67 C ATOM 2285 O VAL C 47 15.338 -8.688 -3.259 1.00 73.18 O ATOM 2286 CB VAL C 47 14.384 -5.863 -2.565 1.00 75.18 C ATOM 2287 CG1 VAL C 47 14.372 -5.776 -1.039 1.00 77.09 C ATOM 2288 CG2 VAL C 47 13.999 -4.521 -3.187 1.00 74.16 C ATOM 2289 H VAL C 47 15.009 -6.311 -5.098 1.00 0.00 H ATOM 2290 N VAL C 48 16.910 -8.052 -1.766 1.00 73.78 N ATOM 2291 CA VAL C 48 17.223 -9.407 -1.282 1.00 74.54 C ATOM 2292 C VAL C 48 17.540 -9.376 0.212 1.00 75.82 C ATOM 2293 O VAL C 48 18.111 -8.405 0.711 1.00 74.52 O ATOM 2294 CB VAL C 48 18.413 -10.043 -2.044 1.00 73.05 C ATOM 2295 CG1 VAL C 48 18.031 -10.343 -3.489 1.00 71.81 C ATOM 2296 CG2 VAL C 48 19.658 -9.158 -1.984 1.00 71.51 C ATOM 2297 H VAL C 48 17.435 -7.249 -1.364 1.00 0.00 H TER 2298 VAL C 48 ATOM 2299 N PHE C 56 18.958 -5.610 2.064 1.00 80.70 N ATOM 2300 CA PHE C 56 19.967 -5.117 1.131 1.00 78.07 C ATOM 2301 C PHE C 56 19.400 -4.901 -0.277 1.00 76.40 C ATOM 2302 O PHE C 56 18.352 -5.457 -0.630 1.00 77.71 O ATOM 2303 CB PHE C 56 21.158 -6.082 1.077 1.00 77.37 C ATOM 2304 HN3 PHE C 56 18.587 -6.519 1.722 1.00 0.00 H ATOM 2305 HN2 PHE C 56 18.182 -4.920 2.130 1.00 0.00 H ATOM 2306 HN1 PHE C 56 19.389 -5.740 3.002 1.00 0.00 H ATOM 2307 N ARG C 57 20.103 -4.083 -1.064 1.00 74.16 N ATOM 2308 CA ARG C 57 19.739 -3.781 -2.459 1.00 72.64 C ATOM 2309 C ARG C 57 20.938 -4.010 -3.387 1.00 69.25 C ATOM 2310 O ARG C 57 22.044 -3.542 -3.103 1.00 67.63 O ATOM 2311 CB ARG C 57 19.217 -2.343 -2.575 1.00 73.54 C ATOM 2312 CG ARG C 57 17.818 -2.198 -2.011 1.00 76.18 C ATOM 2313 CD ARG C 57 17.351 -0.762 -1.830 1.00 77.22 C ATOM 2314 NE ARG C 57 16.001 -0.777 -1.261 1.00 79.92 N ATOM 2315 CZ ARG C 57 14.877 -1.028 -1.940 1.00 80.61 C ATOM 2316 NH1 ARG C 57 14.893 -1.262 -3.256 1.00 79.01 N ATOM 2317 NH2 ARG C 57 13.710 -1.038 -1.295 1.00 83.12 N ATOM 2318 HE ARG C 57 15.909 -0.576 -0.245 1.00 0.00 H ATOM 2319 HH12 ARG C 57 14.004 -1.455 -3.761 1.00 0.00 H ATOM 2320 HH11 ARG C 57 15.794 -1.251 -3.775 1.00 0.00 H ATOM 2321 HH22 ARG C 57 12.830 -1.232 -1.815 1.00 0.00 H ATOM 2322 HH21 ARG C 57 13.679 -0.852 -0.272 1.00 0.00 H ATOM 2323 H ARG C 57 20.955 -3.634 -0.670 1.00 0.00 H ATOM 2324 N VAL C 58 20.705 -4.731 -4.490 1.00 67.24 N ATOM 2325 CA VAL C 58 21.782 -5.245 -5.347 1.00 64.92 C ATOM 2326 C VAL C 58 21.677 -4.741 -6.784 1.00 62.41 C ATOM 2327 O VAL C 58 20.633 -4.887 -7.427 1.00 61.98 O ATOM 2328 CB VAL C 58 21.799 -6.801 -5.357 1.00 65.94 C ATOM 2329 CG1 VAL C 58 22.919 -7.337 -6.259 1.00 64.96 C ATOM 2330 CG2 VAL C 58 21.955 -7.337 -3.935 1.00 67.47 C ATOM 2331 H VAL C 58 19.720 -4.936 -4.752 1.00 0.00 H ATOM 2332 N TRP C 59 22.774 -4.157 -7.275 1.00 60.07 N ATOM 2333 CA TRP C 59 22.968 -3.898 -8.704 1.00 58.30 C ATOM 2334 C TRP C 59 23.810 -5.033 -9.286 1.00 57.42 C ATOM 2335 O TRP C 59 24.815 -5.430 -8.671 1.00 56.84 O ATOM 2336 CB TRP C 59 23.733 -2.589 -8.940 1.00 57.24 C ATOM 2337 CG TRP C 59 22.972 -1.301 -8.749 1.00 57.43 C ATOM 2338 CD1 TRP C 59 21.794 -0.938 -9.335 1.00 57.86 C ATOM 2339 CD2 TRP C 59 23.398 -0.169 -7.977 1.00 57.58 C ATOM 2340 NE1 TRP C 59 21.442 0.337 -8.949 1.00 58.13 N ATOM 2341 CE2 TRP C 59 22.414 0.832 -8.119 1.00 58.19 C ATOM 2342 CE3 TRP C 59 24.513 0.089 -7.172 1.00 57.40 C ATOM 2343 CZ2 TRP C 59 22.508 2.072 -7.479 1.00 59.11 C ATOM 2344 CZ3 TRP C 59 24.608 1.323 -6.531 1.00 57.90 C ATOM 2345 CH2 TRP C 59 23.608 2.298 -6.690 1.00 58.50 C ATOM 2346 HE1 TRP C 59 20.580 0.841 -9.240 1.00 0.00 H ATOM 2347 H TRP C 59 23.524 -3.873 -6.613 1.00 0.00 H ATOM 2348 N CYS C 60 23.426 -5.522 -10.473 1.00 56.15 N ATOM 2349 CA CYS C 60 24.195 -6.541 -11.212 1.00 55.59 C ATOM 2350 C CYS C 60 24.937 -5.925 -12.406 1.00 54.43 C ATOM 2351 O CYS C 60 24.320 -5.233 -13.224 1.00 53.53 O ATOM 2352 CB CYS C 60 23.267 -7.650 -11.705 1.00 56.98 C ATOM 2353 SG CYS C 60 22.562 -8.639 -10.368 1.00 58.60 S ATOM 2354 H CYS C 60 22.544 -5.166 -10.893 1.00 0.00 H ATOM 2355 N PHE C 61 26.249 -6.175 -12.495 1.00 53.21 N ATOM 2356 CA PHE C 61 27.085 -5.674 -13.594 1.00 52.73 C ATOM 2357 C PHE C 61 27.802 -6.837 -14.291 1.00 53.11 C ATOM 2358 O PHE C 61 28.271 -7.760 -13.622 1.00 53.79 O ATOM 2359 CB PHE C 61 28.152 -4.694 -13.073 1.00 51.95 C ATOM 2360 CG PHE C 61 27.598 -3.507 -12.326 1.00 52.00 C ATOM 2361 CD1 PHE C 61 27.435 -3.552 -10.938 1.00 52.06 C ATOM 2362 CD2 PHE C 61 27.270 -2.322 -13.002 1.00 52.02 C ATOM 2363 CE1 PHE C 61 26.943 -2.452 -10.239 1.00 52.17 C ATOM 2364 CE2 PHE C 61 26.778 -1.216 -12.304 1.00 52.13 C ATOM 2365 CZ PHE C 61 26.619 -1.279 -10.920 1.00 52.25 C ATOM 2366 H PHE C 61 26.697 -6.750 -11.753 1.00 0.00 H ATOM 2367 N SER C 62 27.905 -6.787 -15.622 1.00 52.59 N ATOM 2368 CA SER C 62 28.646 -7.814 -16.386 1.00 52.75 C ATOM 2369 C SER C 62 30.163 -7.709 -16.188 1.00 52.69 C ATOM 2370 O SER C 62 30.868 -8.723 -16.176 1.00 53.48 O ATOM 2371 CB SER C 62 28.327 -7.711 -17.883 1.00 53.33 C ATOM 2372 OG SER C 62 28.450 -6.368 -18.342 1.00 52.87 O ATOM 2373 HG SER C 62 27.819 -5.791 -17.843 1.00 0.00 H ATOM 2374 H SER C 62 27.452 -6.004 -16.135 1.00 0.00 H ATOM 2375 N LEU C 63 30.657 -6.479 -16.057 1.00 51.29 N ATOM 2376 CA LEU C 63 32.087 -6.223 -15.907 1.00 50.78 C ATOM 2377 C LEU C 63 32.337 -5.281 -14.756 1.00 49.60 C ATOM 2378 O LEU C 63 31.488 -4.463 -14.395 1.00 48.84 O ATOM 2379 CB LEU C 63 32.669 -5.626 -17.187 1.00 51.27 C ATOM 2380 CG LEU C 63 32.757 -6.543 -18.414 1.00 52.70 C ATOM 2381 CD1 LEU C 63 33.205 -5.723 -19.618 1.00 53.44 C ATOM 2382 CD2 LEU C 63 33.703 -7.716 -18.178 1.00 53.58 C ATOM 2383 H LEU C 63 30.001 -5.672 -16.062 1.00 0.00 H ATOM 2384 N ALA C 64 33.531 -5.395 -14.194 1.00 48.69 N ATOM 2385 CA ALA C 64 33.924 -4.560 -13.081 1.00 47.94 C ATOM 2386 C ALA C 64 35.431 -4.560 -12.984 1.00 48.17 C ATOM 2387 O ALA C 64 36.132 -5.384 -13.610 1.00 48.50 O ATOM 2388 CB ALA C 64 33.312 -5.071 -11.783 1.00 48.00 C ATOM 2389 H ALA C 64 34.201 -6.101 -14.561 1.00 0.00 H ATOM 2390 N GLN C 65 35.917 -3.616 -12.199 1.00 47.77 N ATOM 2391 CA GLN C 65 37.344 -3.458 -11.994 1.00 47.52 C ATOM 2392 C GLN C 65 37.578 -3.110 -10.544 1.00 46.67 C ATOM 2393 O GLN C 65 36.629 -2.929 -9.778 1.00 44.90 O ATOM 2394 CB GLN C 65 37.889 -2.366 -12.915 1.00 48.44 C ATOM 2395 CG GLN C 65 37.310 -0.977 -12.689 1.00 48.33 C ATOM 2396 CD GLN C 65 37.664 -0.020 -13.811 1.00 49.51 C ATOM 2397 OE1 GLN C 65 38.226 1.052 -13.574 1.00 49.83 O ATOM 2398 NE2 GLN C 65 37.348 -0.412 -15.052 1.00 50.93 N ATOM 2399 HE22 GLN C 65 36.874 -1.325 -15.204 1.00 0.00 H ATOM 2400 HE21 GLN C 65 37.577 0.197 -15.864 1.00 0.00 H ATOM 2401 H GLN C 65 35.260 -2.970 -11.716 1.00 0.00 H ATOM 2402 N GLY C 66 38.849 -3.044 -10.166 1.00 46.15 N ATOM 2403 CA GLY C 66 39.223 -2.570 -8.843 1.00 46.69 C ATOM 2404 C GLY C 66 38.835 -3.449 -7.669 1.00 47.51 C ATOM 2405 O GLY C 66 38.912 -3.006 -6.514 1.00 46.61 O ATOM 2406 H GLY C 66 39.593 -3.338 -10.830 1.00 0.00 H ATOM 2407 N LEU C 67 38.437 -4.687 -7.954 1.00 49.03 N ATOM 2408 CA LEU C 67 38.087 -5.643 -6.926 1.00 51.12 C ATOM 2409 C LEU C 67 39.244 -6.604 -6.753 1.00 52.82 C ATOM 2410 O LEU C 67 40.085 -6.760 -7.642 1.00 52.93 O ATOM 2411 CB LEU C 67 36.825 -6.452 -7.295 1.00 51.94 C ATOM 2412 CG LEU C 67 35.395 -5.927 -7.098 1.00 52.32 C ATOM 2413 CD1 LEU C 67 35.177 -5.211 -5.775 1.00 52.02 C ATOM 2414 CD2 LEU C 67 34.940 -5.048 -8.243 1.00 52.17 C ATOM 2415 H LEU C 67 38.375 -4.977 -8.951 1.00 0.00 H ATOM 2416 N ARG C 68 39.276 -7.226 -5.584 1.00 55.00 N ATOM 2417 CA ARG C 68 40.143 -8.344 -5.292 1.00 57.44 C ATOM 2418 C ARG C 68 39.187 -9.508 -5.061 1.00 59.33 C ATOM 2419 O ARG C 68 38.273 -9.397 -4.235 1.00 59.33 O ATOM 2420 CB ARG C 68 40.952 -8.039 -4.041 1.00 58.52 C ATOM 2421 CG ARG C 68 42.304 -8.725 -3.957 1.00 60.38 C ATOM 2422 CD ARG C 68 42.865 -8.647 -2.541 1.00 61.88 C ATOM 2423 NE ARG C 68 42.618 -7.328 -1.939 1.00 61.81 N ATOM 2424 CZ ARG C 68 42.482 -7.073 -0.635 1.00 62.36 C ATOM 2425 NH1 ARG C 68 42.581 -8.037 0.286 1.00 63.98 N ATOM 2426 NH2 ARG C 68 42.236 -5.822 -0.246 1.00 61.51 N ATOM 2427 HE ARG C 68 42.542 -6.519 -2.589 1.00 0.00 H ATOM 2428 HH12 ARG C 68 42.470 -7.806 1.294 1.00 0.00 H ATOM 2429 HH11 ARG C 68 42.769 -9.017 -0.006 1.00 0.00 H ATOM 2430 HH22 ARG C 68 42.127 -5.604 0.765 1.00 0.00 H ATOM 2431 HH21 ARG C 68 42.153 -5.064 -0.953 1.00 0.00 H ATOM 2432 H ARG C 68 38.640 -6.890 -4.833 1.00 0.00 H ATOM 2433 N LEU C 69 39.370 -10.595 -5.810 1.00 60.63 N ATOM 2434 CA LEU C 69 38.514 -11.781 -5.686 1.00 62.46 C ATOM 2435 C LEU C 69 39.289 -13.054 -6.006 1.00 63.75 C ATOM 2436 O LEU C 69 40.271 -13.363 -5.333 1.00 63.75 O ATOM 2437 CB LEU C 69 37.276 -11.639 -6.579 1.00 62.51 C ATOM 2438 CG LEU C 69 37.504 -11.255 -8.053 1.00 62.12 C ATOM 2439 CD1 LEU C 69 37.643 -12.487 -8.949 1.00 63.97 C ATOM 2440 CD2 LEU C 69 36.372 -10.374 -8.550 1.00 61.31 C ATOM 2441 H LEU C 69 40.144 -10.603 -6.505 1.00 0.00 H TER 2442 LEU C 69 ATOM 2443 N TRP C 85 31.006 -19.419 -3.689 1.00 74.88 N ATOM 2444 CA TRP C 85 30.844 -18.040 -4.145 1.00 71.55 C ATOM 2445 C TRP C 85 32.180 -17.317 -4.173 1.00 70.25 C ATOM 2446 O TRP C 85 33.077 -17.642 -3.378 1.00 71.25 O ATOM 2447 CB TRP C 85 29.874 -17.293 -3.227 1.00 71.42 C ATOM 2448 HN3 TRP C 85 31.408 -19.421 -2.730 1.00 0.00 H ATOM 2449 HN2 TRP C 85 31.646 -19.924 -4.335 1.00 0.00 H ATOM 2450 HN1 TRP C 85 30.079 -19.891 -3.679 1.00 0.00 H ATOM 2451 N THR C 86 32.317 -16.336 -5.075 1.00 67.29 N ATOM 2452 CA THR C 86 33.518 -15.481 -5.114 1.00 64.61 C ATOM 2453 C THR C 86 33.253 -14.137 -4.427 1.00 62.04 C ATOM 2454 O THR C 86 32.491 -13.301 -4.935 1.00 60.33 O ATOM 2455 CB THR C 86 34.019 -15.232 -6.555 1.00 64.01 C ATOM 2456 H THR C 86 31.557 -16.173 -5.766 1.00 0.00 H ATOM 2457 N ILE C 87 33.882 -13.950 -3.265 1.00 61.18 N ATOM 2458 CA ILE C 87 33.826 -12.692 -2.517 1.00 59.32 C ATOM 2459 C ILE C 87 34.536 -11.581 -3.287 1.00 56.30 C ATOM 2460 O ILE C 87 35.638 -11.793 -3.808 1.00 56.89 O ATOM 2461 CB ILE C 87 34.515 -12.828 -1.138 1.00 60.04 C ATOM 2462 H ILE C 87 34.439 -14.735 -2.872 1.00 0.00 H ATOM 2463 N ALA C 88 33.904 -10.408 -3.363 1.00 53.85 N ATOM 2464 CA ALA C 88 34.494 -9.243 -4.026 1.00 51.22 C ATOM 2465 C ALA C 88 34.864 -8.200 -2.973 1.00 49.83 C ATOM 2466 O ALA C 88 33.986 -7.566 -2.371 1.00 49.88 O ATOM 2467 CB ALA C 88 33.520 -8.651 -5.038 1.00 50.53 C ATOM 2468 H ALA C 88 32.960 -10.318 -2.937 1.00 0.00 H ATOM 2469 N LEU C 89 36.157 -8.036 -2.741 1.00 48.15 N ATOM 2470 CA LEU C 89 36.620 -6.998 -1.848 1.00 46.86 C ATOM 2471 C LEU C 89 37.154 -5.850 -2.679 1.00 43.93 C ATOM 2472 O LEU C 89 37.787 -6.071 -3.719 1.00 43.97 O ATOM 2473 CB LEU C 89 37.696 -7.533 -0.908 1.00 47.79 C ATOM 2474 CG LEU C 89 37.215 -8.610 0.078 1.00 49.97 C ATOM 2475 CD1 LEU C 89 38.324 -8.901 1.072 1.00 50.47 C ATOM 2476 CD2 LEU C 89 35.938 -8.215 0.813 1.00 50.59 C ATOM 2477 H LEU C 89 36.847 -8.660 -3.206 1.00 0.00 H ATOM 2478 N CYS C 90 36.854 -4.632 -2.245 1.00 41.44 N ATOM 2479 CA CYS C 90 37.521 -3.455 -2.790 1.00 39.04 C ATOM 2480 C CYS C 90 39.053 -3.647 -2.728 1.00 38.27 C ATOM 2481 O CYS C 90 39.627 -3.923 -1.672 1.00 38.88 O ATOM 2482 CB CYS C 90 37.097 -2.211 -2.011 1.00 38.25 C ATOM 2483 SG CYS C 90 37.988 -0.722 -2.508 1.00 36.09 S ATOM 2484 H CYS C 90 36.132 -4.515 -1.505 1.00 0.00 H ATOM 2485 N GLY C 91 39.719 -3.516 -3.874 1.00 37.05 N ATOM 2486 CA GLY C 91 41.159 -3.685 -3.944 1.00 36.37 C ATOM 2487 C GLY C 91 41.959 -2.543 -3.342 1.00 35.33 C ATOM 2488 O GLY C 91 43.166 -2.677 -3.115 1.00 35.26 O ATOM 2489 H GLY C 91 39.193 -3.287 -4.742 1.00 0.00 H ATOM 2490 N GLN C 92 41.304 -1.407 -3.089 1.00 34.40 N ATOM 2491 CA GLN C 92 41.983 -0.233 -2.506 1.00 33.67 C ATOM 2492 C GLN C 92 41.993 -0.212 -0.981 1.00 34.40 C ATOM 2493 O GLN C 92 43.023 0.000 -0.353 1.00 34.08 O ATOM 2494 CB GLN C 92 41.362 1.056 -3.068 1.00 32.84 C ATOM 2495 CG GLN C 92 42.028 2.365 -2.618 1.00 32.28 C ATOM 2496 CD GLN C 92 41.761 3.483 -3.610 1.00 31.70 C ATOM 2497 OE1 GLN C 92 42.500 3.643 -4.549 1.00 31.31 O ATOM 2498 NE2 GLN C 92 40.678 4.215 -3.426 1.00 31.74 N ATOM 2499 HE22 GLN C 92 40.068 4.043 -2.601 1.00 0.00 H ATOM 2500 HE21 GLN C 92 40.435 4.964 -4.106 1.00 0.00 H ATOM 2501 H GLN C 92 40.289 -1.348 -3.308 1.00 0.00 H ATOM 2502 N CYS C 93 40.839 -0.430 -0.379 1.00 35.63 N ATOM 2503 CA CYS C 93 40.694 -0.360 1.080 1.00 36.97 C ATOM 2504 C CYS C 93 40.307 -1.681 1.746 1.00 39.17 C ATOM 2505 O CYS C 93 40.346 -1.773 2.984 1.00 40.22 O ATOM 2506 CB CYS C 93 39.659 0.712 1.436 1.00 37.09 C ATOM 2507 SG CYS C 93 37.935 0.212 1.200 1.00 37.64 S ATOM 2508 H CYS C 93 40.005 -0.659 -0.957 1.00 0.00 H ATOM 2509 N GLY C 94 39.909 -2.678 0.951 1.00 40.49 N ATOM 2510 CA GLY C 94 39.518 -3.982 1.487 1.00 43.23 C ATOM 2511 C GLY C 94 38.078 -4.127 1.958 1.00 45.40 C ATOM 2512 O GLY C 94 37.734 -5.188 2.481 1.00 47.90 O ATOM 2513 H GLY C 94 39.876 -2.523 -0.077 1.00 0.00 H ATOM 2514 N SER C 95 37.221 -3.119 1.759 1.00 46.21 N ATOM 2515 CA SER C 95 35.775 -3.248 2.088 1.00 48.67 C ATOM 2516 C SER C 95 35.070 -4.291 1.214 1.00 49.80 C ATOM 2517 O SER C 95 35.440 -4.489 0.058 1.00 49.46 O ATOM 2518 CB SER C 95 35.027 -1.917 1.911 1.00 48.31 C ATOM 2519 OG SER C 95 33.625 -2.079 2.099 1.00 49.75 O ATOM 2520 HG SER C 95 33.174 -1.206 1.978 1.00 0.00 H ATOM 2521 H SER C 95 37.574 -2.224 1.365 1.00 0.00 H ATOM 2522 N HIS C 96 34.030 -4.919 1.769 1.00 52.48 N ATOM 2523 CA HIS C 96 33.192 -5.891 1.048 1.00 53.41 C ATOM 2524 C HIS C 96 32.102 -5.195 0.227 1.00 53.99 C ATOM 2525 O HIS C 96 31.160 -4.610 0.789 1.00 55.06 O ATOM 2526 CB HIS C 96 32.520 -6.845 2.037 1.00 55.35 C ATOM 2527 H HIS C 96 33.800 -4.711 2.762 1.00 0.00 H ATOM 2528 N LEU C 97 32.217 -5.272 -1.098 1.00 53.68 N ATOM 2529 CA LEU C 97 31.294 -4.574 -2.002 1.00 53.99 C ATOM 2530 C LEU C 97 30.202 -5.467 -2.578 1.00 55.53 C ATOM 2531 O LEU C 97 29.180 -4.949 -3.044 1.00 55.83 O ATOM 2532 CB LEU C 97 32.077 -3.915 -3.139 1.00 52.56 C ATOM 2533 CG LEU C 97 33.253 -3.044 -2.672 1.00 52.31 C ATOM 2534 CD1 LEU C 97 33.741 -2.191 -3.831 1.00 51.29 C ATOM 2535 CD2 LEU C 97 32.867 -2.158 -1.486 1.00 52.80 C ATOM 2536 H LEU C 97 32.984 -5.844 -1.505 1.00 0.00 H ATOM 2537 N GLY C 98 30.413 -6.785 -2.551 1.00 56.91 N ATOM 2538 CA GLY C 98 29.431 -7.740 -3.060 1.00 58.33 C ATOM 2539 C GLY C 98 30.038 -9.087 -3.415 1.00 59.73 C ATOM 2540 O GLY C 98 30.902 -9.597 -2.687 1.00 59.65 O ATOM 2541 H GLY C 98 31.305 -7.144 -2.155 1.00 0.00 H ATOM 2542 N TRP C 99 29.576 -9.667 -4.527 1.00 60.71 N ATOM 2543 CA TRP C 99 29.995 -11.013 -4.939 1.00 62.41 C ATOM 2544 C TRP C 99 30.092 -11.172 -6.459 1.00 62.50 C ATOM 2545 O TRP C 99 29.287 -10.601 -7.208 1.00 62.73 O ATOM 2546 CB TRP C 99 29.019 -12.047 -4.378 1.00 64.07 C ATOM 2547 H TRP C 99 28.897 -9.148 -5.120 1.00 0.00 H ATOM 2548 N HIS C 100 31.073 -11.964 -6.892 1.00 63.10 N ATOM 2549 CA HIS C 100 31.285 -12.286 -8.306 1.00 63.71 C ATOM 2550 C HIS C 100 30.627 -13.634 -8.612 1.00 65.33 C ATOM 2551 O HIS C 100 30.943 -14.634 -7.965 1.00 66.70 O ATOM 2552 CB HIS C 100 32.786 -12.330 -8.610 1.00 64.11 C ATOM 2553 CG HIS C 100 33.126 -12.889 -9.956 1.00 64.73 C ATOM 2554 ND1 HIS C 100 32.788 -12.256 -11.133 1.00 64.15 N ATOM 2555 CD2 HIS C 100 33.795 -14.011 -10.309 1.00 66.46 C ATOM 2556 CE1 HIS C 100 33.220 -12.975 -12.155 1.00 65.10 C ATOM 2557 NE2 HIS C 100 33.837 -14.044 -11.682 1.00 66.50 N ATOM 2558 H HIS C 100 31.721 -12.375 -6.190 1.00 0.00 H ATOM 2559 N TYR C 101 29.723 -13.644 -9.593 1.00 65.01 N ATOM 2560 CA TYR C 101 28.903 -14.828 -9.919 1.00 67.16 C ATOM 2561 C TYR C 101 29.389 -15.547 -11.192 1.00 68.22 C ATOM 2562 O TYR C 101 30.257 -15.045 -11.917 1.00 68.10 O ATOM 2563 CB TYR C 101 27.413 -14.433 -10.024 1.00 66.71 C ATOM 2564 CG TYR C 101 26.819 -14.015 -8.687 1.00 66.68 C ATOM 2565 CD1 TYR C 101 26.947 -12.696 -8.224 1.00 65.28 C ATOM 2566 CD2 TYR C 101 26.165 -14.942 -7.861 1.00 68.18 C ATOM 2567 CE1 TYR C 101 26.423 -12.310 -6.993 1.00 65.34 C ATOM 2568 CE2 TYR C 101 25.640 -14.564 -6.627 1.00 68.34 C ATOM 2569 CZ TYR C 101 25.773 -13.247 -6.196 1.00 67.22 C ATOM 2570 OH TYR C 101 25.263 -12.855 -4.974 1.00 67.52 O ATOM 2571 HH TYR C 101 25.448 -11.893 -4.834 1.00 0.00 H ATOM 2572 H TYR C 101 29.590 -12.778 -10.154 1.00 0.00 H ATOM 2573 N GLU C 102 28.822 -16.731 -11.435 1.00 70.16 N ATOM 2574 CA GLU C 102 29.218 -17.617 -12.549 1.00 71.53 C ATOM 2575 C GLU C 102 29.193 -16.922 -13.930 1.00 70.45 C ATOM 2576 O GLU C 102 28.280 -17.108 -14.741 1.00 70.18 O ATOM 2577 CB GLU C 102 28.338 -18.884 -12.574 1.00 72.87 C ATOM 2578 CG GLU C 102 28.493 -19.806 -11.360 1.00 74.75 C ATOM 2579 CD GLU C 102 27.354 -19.730 -10.344 1.00 74.95 C ATOM 2580 OE1 GLU C 102 27.619 -19.925 -9.139 1.00 75.72 O ATOM 2581 OE2 GLU C 102 26.192 -19.493 -10.735 1.00 74.57 O ATOM 2582 H GLU C 102 28.058 -17.048 -10.804 1.00 0.00 H TER 2583 GLU C 102 ATOM 2584 N PHE C 111 28.940 -9.955 -11.904 1.00 56.60 N ATOM 2585 CA PHE C 111 29.108 -9.339 -10.584 1.00 57.12 C ATOM 2586 C PHE C 111 27.771 -8.868 -10.013 1.00 56.83 C ATOM 2587 O PHE C 111 26.919 -8.375 -10.762 1.00 56.66 O ATOM 2588 CB PHE C 111 30.048 -8.121 -10.642 1.00 56.32 C ATOM 2589 CG PHE C 111 31.435 -8.420 -11.152 1.00 56.91 C ATOM 2590 CD1 PHE C 111 31.688 -8.498 -12.523 1.00 57.18 C ATOM 2591 CD2 PHE C 111 32.505 -8.576 -10.264 1.00 57.27 C ATOM 2592 CE1 PHE C 111 32.973 -8.750 -12.997 1.00 57.47 C ATOM 2593 CE2 PHE C 111 33.791 -8.829 -10.732 1.00 57.32 C ATOM 2594 CZ PHE C 111 34.024 -8.921 -12.100 1.00 57.80 C ATOM 2595 HN3 PHE C 111 28.527 -9.261 -12.559 1.00 0.00 H ATOM 2596 HN2 PHE C 111 28.307 -10.777 -11.824 1.00 0.00 H ATOM 2597 HN1 PHE C 111 29.867 -10.263 -12.262 1.00 0.00 H ATOM 2598 N GLY C 112 27.608 -9.013 -8.693 1.00 56.97 N ATOM 2599 CA GLY C 112 26.469 -8.452 -7.945 1.00 56.96 C ATOM 2600 C GLY C 112 26.980 -7.640 -6.758 1.00 56.71 C ATOM 2601 O GLY C 112 27.614 -8.204 -5.852 1.00 56.35 O ATOM 2602 H GLY C 112 28.325 -9.551 -8.166 1.00 0.00 H ATOM 2603 N LEU C 113 26.695 -6.331 -6.751 1.00 55.83 N ATOM 2604 CA LEU C 113 27.265 -5.403 -5.759 1.00 56.18 C ATOM 2605 C LEU C 113 26.202 -4.734 -4.887 1.00 56.96 C ATOM 2606 O LEU C 113 25.086 -4.462 -5.333 1.00 56.33 O ATOM 2607 CB LEU C 113 28.127 -4.340 -6.448 1.00 54.81 C ATOM 2608 CG LEU C 113 29.199 -4.870 -7.413 1.00 54.42 C ATOM 2609 CD1 LEU C 113 29.933 -3.718 -8.081 1.00 53.37 C ATOM 2610 CD2 LEU C 113 30.180 -5.807 -6.722 1.00 54.74 C ATOM 2611 H LEU C 113 26.047 -5.956 -7.473 1.00 0.00 H ATOM 2612 N ILE C 114 26.586 -4.432 -3.650 1.00 57.63 N ATOM 2613 CA ILE C 114 25.640 -4.015 -2.610 1.00 59.47 C ATOM 2614 C ILE C 114 25.473 -2.492 -2.679 1.00 59.36 C ATOM 2615 O ILE C 114 26.455 -1.759 -2.526 1.00 57.74 O ATOM 2616 CB ILE C 114 26.137 -4.422 -1.195 1.00 60.77 C ATOM 2617 CG1 ILE C 114 26.540 -5.909 -1.142 1.00 61.17 C ATOM 2618 CG2 ILE C 114 25.055 -4.152 -0.156 1.00 62.36 C ATOM 2619 CD1 ILE C 114 27.375 -6.276 0.071 1.00 62.35 C ATOM 2620 H ILE C 114 27.596 -4.494 -3.411 1.00 0.00 H ATOM 2621 N LYS C 115 24.238 -2.026 -2.879 1.00 60.06 N ATOM 2622 CA LYS C 115 23.933 -0.590 -3.059 1.00 60.76 C ATOM 2623 C LYS C 115 24.387 0.334 -1.905 1.00 61.89 C ATOM 2624 O LYS C 115 24.692 1.508 -2.154 1.00 62.08 O ATOM 2625 CB LYS C 115 22.422 -0.387 -3.321 1.00 61.94 C ATOM 2626 CG LYS C 115 22.013 1.066 -3.572 1.00 62.44 C ATOM 2627 CD LYS C 115 20.580 1.221 -4.055 1.00 63.54 C ATOM 2628 CE LYS C 115 20.309 2.667 -4.456 1.00 64.12 C ATOM 2629 NZ LYS C 115 18.871 2.998 -4.664 1.00 65.28 N ATOM 2630 HZ1 LYS C 115 18.485 2.399 -5.421 1.00 0.00 H ATOM 2631 HZ2 LYS C 115 18.346 2.827 -3.783 1.00 0.00 H ATOM 2632 HZ3 LYS C 115 18.782 3.999 -4.933 1.00 0.00 H ATOM 2633 H LYS C 115 23.452 -2.706 -2.910 1.00 0.00 H ATOM 2634 N ASP C 116 24.410 -0.189 -0.672 1.00 63.07 N ATOM 2635 CA ASP C 116 24.828 0.565 0.533 1.00 64.35 C ATOM 2636 C ASP C 116 26.345 0.522 0.783 1.00 63.63 C ATOM 2637 O ASP C 116 26.943 1.551 1.132 1.00 64.54 O ATOM 2638 CB ASP C 116 24.083 0.047 1.775 1.00 66.29 C ATOM 2639 H ASP C 116 24.118 -1.180 -0.554 1.00 0.00 H ATOM 2640 N ARG C 117 26.948 -0.664 0.626 1.00 62.77 N ATOM 2641 CA ARG C 117 28.423 -0.829 0.641 1.00 61.40 C ATOM 2642 C ARG C 117 29.088 -0.283 -0.630 1.00 59.06 C ATOM 2643 O ARG C 117 30.299 -0.053 -0.658 1.00 58.70 O ATOM 2644 CB ARG C 117 28.806 -2.303 0.818 1.00 61.53 C ATOM 2645 H ARG C 117 26.356 -1.507 0.487 1.00 0.00 H ATOM 2646 N LEU C 118 28.307 -0.114 -1.691 1.00 58.03 N ATOM 2647 CA LEU C 118 28.720 0.629 -2.875 1.00 56.50 C ATOM 2648 C LEU C 118 28.174 2.050 -2.774 1.00 56.36 C ATOM 2649 O LEU C 118 27.423 2.373 -1.842 1.00 58.96 O ATOM 2650 CB LEU C 118 28.182 -0.073 -4.134 1.00 55.92 C ATOM 2651 CG LEU C 118 28.679 0.248 -5.544 1.00 55.07 C ATOM 2652 CD1 LEU C 118 30.187 0.039 -5.649 1.00 54.06 C ATOM 2653 CD2 LEU C 118 27.942 -0.625 -6.549 1.00 55.11 C ATOM 2654 H LEU C 118 27.355 -0.532 -1.676 1.00 0.00 H ATOM 2655 N ALA C 119 28.548 2.902 -3.724 1.00 55.09 N ATOM 2656 CA ALA C 119 27.913 4.216 -3.871 1.00 55.48 C ATOM 2657 C ALA C 119 27.935 4.733 -5.337 1.00 54.32 C ATOM 2658 O ALA C 119 28.821 4.340 -6.120 1.00 53.47 O ATOM 2659 CB ALA C 119 28.565 5.181 -2.915 1.00 56.06 C ATOM 2660 H ALA C 119 29.309 2.630 -4.379 1.00 0.00 H ATOM 2661 N GLU C 120 26.985 5.619 -5.687 1.00 53.36 N ATOM 2662 CA GLU C 120 26.708 5.998 -7.096 1.00 52.21 C ATOM 2663 C GLU C 120 26.961 7.465 -7.507 1.00 52.35 C ATOM 2664 O GLU C 120 26.593 8.409 -6.796 1.00 51.28 O ATOM 2665 CB GLU C 120 25.251 5.653 -7.425 1.00 52.35 C ATOM 2666 H GLU C 120 26.418 6.060 -4.935 1.00 0.00 H ATOM 2667 N GLY C 121 27.555 7.650 -8.691 1.00 52.54 N ATOM 2668 CA GLY C 121 27.829 8.991 -9.224 1.00 54.17 C ATOM 2669 C GLY C 121 27.867 9.089 -10.743 1.00 54.85 C ATOM 2670 O GLY C 121 27.591 8.119 -11.433 1.00 54.44 O ATOM 2671 H GLY C 121 27.831 6.819 -9.252 1.00 0.00 H ATOM 2672 N PRO C 122 28.213 10.274 -11.278 1.00 56.86 N ATOM 2673 CA PRO C 122 28.338 10.452 -12.731 1.00 57.34 C ATOM 2674 C PRO C 122 29.627 9.844 -13.329 1.00 56.58 C ATOM 2675 O PRO C 122 30.317 9.045 -12.686 1.00 54.96 O ATOM 2676 CB PRO C 122 28.360 11.968 -12.882 1.00 59.04 C ATOM 2677 CG PRO C 122 29.026 12.437 -11.631 1.00 59.00 C ATOM 2678 CD PRO C 122 28.540 11.515 -10.550 1.00 58.07 C TER 2679 PRO C 122 HETATM 2680 ZN ZN A 1 24.052 27.013 9.978 1.00 19.29 ZN HETATM 2681 ZN ZN A 2 43.387 11.210 29.946 1.00 40.80 ZN HETATM 2682 ZN ZN A 3 37.251 0.831 -0.932 1.00 35.93 ZN HETATM 2683 O HOH 4 31.671 26.747 11.707 1.00 43.13 O HETATM 2684 O HOH 5 9.671 22.745 -10.135 1.00 43.12 O HETATM 2685 O HOH 6 14.047 24.234 -5.079 1.00 41.33 O HETATM 2686 O HOH 7 28.661 12.870 3.744 1.00 23.16 O HETATM 2687 O HOH 8 31.718 16.162 8.067 1.00 27.75 O HETATM 2688 O HOH 9 14.971 22.244 -7.062 1.00 41.02 O HETATM 2689 O HOH 10 15.031 18.163 -15.906 1.00 29.83 O HETATM 2690 O HOH 11 8.043 15.727 0.263 1.00 32.38 O HETATM 2691 O HOH 12 21.395 25.650 -7.186 1.00 26.80 O HETATM 2692 O HOH 13 23.572 14.088 12.075 1.00 33.68 O HETATM 2693 O HOH 14 20.299 12.640 18.539 1.00 36.14 O HETATM 2694 O HOH 15 31.779 23.501 13.816 1.00 38.66 O HETATM 2695 O HOH 16 23.546 22.273 -13.451 1.00 39.57 O HETATM 2696 O HOH 17 30.676 16.357 4.410 1.00 33.15 O HETATM 2697 O HOH 18 29.673 22.691 15.681 1.00 26.61 O HETATM 2698 O HOH 19 9.468 21.520 -0.549 1.00 52.54 O HETATM 2699 O HOH 20 22.761 3.288 2.848 1.00 49.20 O HETATM 2700 O HOH 21 32.201 20.622 10.506 1.00 37.82 O HETATM 2701 O HOH 22 20.893 6.450 -4.436 1.00 49.95 O HETATM 2702 O HOH 23 29.814 24.280 6.492 1.00 31.43 O HETATM 2703 O HOH 24 11.254 8.650 10.928 1.00 35.59 O HETATM 2704 O HOH 25 18.981 33.237 4.575 1.00 50.20 O HETATM 2705 O HOH 26 8.180 11.488 5.156 1.00 26.22 O HETATM 2706 O HOH 27 16.162 30.060 -5.179 1.00 49.26 O HETATM 2707 O HOH 28 9.644 19.111 -0.137 1.00 35.37 O HETATM 2708 O HOH 29 29.422 21.003 8.541 1.00 39.65 O HETATM 2709 O HOH 30 8.589 12.293 -11.992 1.00 39.91 O HETATM 2710 O HOH 31 28.379 32.551 8.311 1.00 39.37 O HETATM 2711 O HOH 32 7.360 15.972 14.727 1.00 50.29 O HETATM 2712 O HOH 33 16.246 21.558 20.137 1.00 28.87 O HETATM 2713 O HOH 34 3.763 15.244 -4.282 1.00 41.75 O HETATM 2714 O HOH 35 20.544 24.367 -9.359 1.00 26.57 O HETATM 2715 O HOH 36 10.964 14.004 14.867 1.00 27.05 O HETATM 2716 O HOH 37 30.859 20.169 14.878 1.00 37.64 O HETATM 2717 O HOH 38 34.932 10.786 -2.119 1.00 33.56 O HETATM 2718 O HOH 39 22.410 31.507 3.837 1.00 40.75 O HETATM 2719 O HOH 40 6.327 17.909 -10.188 1.00 19.90 O HETATM 2720 O HOH 41 16.668 15.077 -13.504 1.00 36.44 O HETATM 2721 O HOH 42 4.157 19.148 -3.943 1.00 38.66 O HETATM 2722 O HOH 43 29.456 24.682 3.429 1.00 26.51 O HETATM 2723 O HOH 44 16.638 7.697 -9.032 1.00 37.89 O HETATM 2724 O HOH 45 10.606 15.174 -14.357 1.00 25.71 O HETATM 2725 O HOH 46 14.231 16.079 -13.879 1.00 45.08 O HETATM 2726 O HOH 47 26.937 22.088 8.693 1.00 23.34 O HETATM 2727 O HOH 48 23.261 14.287 -16.021 1.00 42.05 O HETATM 2728 O HOH 49 16.266 12.457 -14.086 1.00 49.51 O HETATM 2729 O HOH 50 21.451 7.716 -7.034 1.00 37.96 O HETATM 2730 O HOH 51 22.757 4.741 -2.078 1.00 47.13 O HETATM 2731 O HOH 52 14.965 4.076 5.350 1.00 44.70 O HETATM 2732 O HOH 53 23.494 11.684 14.906 1.00 33.62 O HETATM 2733 O HOH 54 7.533 20.170 -8.435 1.00 29.59 O HETATM 2734 O HOH 55 12.770 6.358 6.607 1.00 50.96 O HETATM 2735 O HOH 56 33.654 12.594 -12.206 1.00 47.83 O HETATM 2736 O HOH 57 9.280 14.257 26.225 1.00 57.84 O HETATM 2737 O HOH 58 5.953 17.221 -2.641 1.00 31.66 O HETATM 2738 O HOH 59 25.616 21.238 -5.921 1.00 37.04 O HETATM 2739 O HOH 60 20.394 3.789 -1.119 1.00 58.25 O HETATM 2740 O HOH 61 21.007 8.543 13.754 1.00 40.22 O HETATM 2741 O HOH 62 6.927 12.974 0.578 1.00 43.51 O HETATM 2742 O HOH 63 28.378 10.676 6.547 1.00 34.45 O HETATM 2743 O HOH 64 30.849 19.059 8.839 1.00 39.59 O HETATM 2744 O HOH 65 20.022 4.918 7.787 1.00 50.47 O HETATM 2745 O HOH 66 10.155 11.538 -10.161 1.00 26.76 O HETATM 2746 O HOH 67 33.533 14.481 -0.170 1.00 43.23 O HETATM 2747 O HOH 68 10.741 21.942 22.872 1.00 52.02 O HETATM 2748 O HOH 69 19.074 33.210 -2.149 1.00 63.41 O HETATM 2749 O HOH 70 13.978 30.197 12.506 1.00 47.88 O HETATM 2750 O HOH 71 25.618 20.807 -12.124 1.00 44.81 O HETATM 2751 O HOH 72 19.352 8.506 -10.836 1.00 53.84 O HETATM 2752 O HOH 73 13.118 28.708 10.191 1.00 41.90 O HETATM 2753 O HOH 74 19.460 5.974 12.604 1.00 57.16 O HETATM 2754 O HOH 75 14.295 9.458 20.660 1.00 60.91 O HETATM 2755 O HOH 76 24.666 32.227 -2.307 1.00 53.67 O HETATM 2756 O HOH 77 6.789 20.127 14.139 1.00 45.27 O HETATM 2757 O HOH 78 30.744 3.506 6.161 1.00 65.92 O HETATM 2758 O HOH 79 15.599 6.744 -5.182 1.00 43.54 O HETATM 2759 O HOH 80 8.925 7.553 -1.245 1.00 54.74 O HETATM 2760 O HOH 81 10.247 12.328 18.823 1.00 60.15 O HETATM 2761 O HOH 82 5.853 21.167 -6.532 1.00 43.73 O HETATM 2762 O HOH 83 13.221 11.489 -15.919 1.00 45.17 O HETATM 2763 O HOH 84 5.238 20.611 -9.847 1.00 51.04 O HETATM 2764 O HOH 85 30.076 27.969 4.925 1.00 57.99 O HETATM 2765 O HOH 86 29.059 28.247 9.218 1.00 31.42 O HETATM 2766 O HOH 87 6.569 9.676 4.078 1.00 47.33 O HETATM 2767 O HOH 88 22.677 24.616 -11.025 1.00 43.61 O HETATM 2768 O HOH 89 30.505 26.878 7.380 1.00 43.80 O HETATM 2769 O HOH 90 8.282 12.820 23.241 1.00 53.94 O HETATM 2770 O HOH 91 28.872 26.447 -0.576 1.00 57.79 O HETATM 2771 O HOH 92 40.244 7.685 12.125 1.00 35.15 O HETATM 2772 O HOH 93 30.231 21.494 21.653 1.00 37.10 O HETATM 2773 O HOH 94 12.603 15.510 30.670 1.00 49.68 O HETATM 2774 O HOH 95 28.620 5.686 37.621 1.00 47.78 O HETATM 2775 O HOH 96 34.382 -2.945 14.674 1.00 40.65 O HETATM 2776 O HOH 97 27.284 2.921 32.528 1.00 39.87 O HETATM 2777 O HOH 98 28.555 10.005 9.012 1.00 36.10 O HETATM 2778 O HOH 99 23.728 9.947 33.899 1.00 27.34 O HETATM 2779 O HOH 100 26.348 10.811 34.333 1.00 24.77 O HETATM 2780 O HOH 101 38.584 21.044 18.384 1.00 65.15 O HETATM 2781 O HOH 102 29.406 8.601 40.414 1.00 56.02 O HETATM 2782 O HOH 103 43.900 2.145 29.537 1.00 43.63 O HETATM 2783 O HOH 104 29.125 -3.444 23.087 1.00 31.87 O HETATM 2784 O HOH 105 20.536 10.206 17.704 1.00 43.69 O HETATM 2785 O HOH 106 16.755 22.530 25.294 1.00 31.45 O HETATM 2786 O HOH 107 39.356 2.893 34.230 1.00 29.10 O HETATM 2787 O HOH 108 43.251 -3.932 26.178 1.00 49.24 O HETATM 2788 O HOH 109 24.975 25.845 26.684 1.00 24.74 O HETATM 2789 O HOH 110 46.194 -2.767 11.032 1.00 58.99 O HETATM 2790 O HOH 111 32.262 14.631 10.331 1.00 24.61 O HETATM 2791 O HOH 112 37.100 -5.663 14.713 1.00 50.40 O HETATM 2792 O HOH 113 19.003 2.898 19.792 1.00 50.79 O HETATM 2793 O HOH 114 32.463 18.507 27.591 1.00 54.51 O HETATM 2794 O HOH 115 24.737 -7.296 24.649 1.00 41.49 O HETATM 2795 O HOH 116 27.212 -5.191 26.090 1.00 29.94 O HETATM 2796 O HOH 117 24.647 4.145 31.497 1.00 35.88 O HETATM 2797 O HOH 118 16.067 8.285 33.510 1.00 44.97 O HETATM 2798 O HOH 119 19.309 9.354 36.776 1.00 50.56 O HETATM 2799 O HOH 120 28.227 12.043 10.745 1.00 29.31 O HETATM 2800 O HOH 121 40.973 10.764 16.912 1.00 42.28 O HETATM 2801 O HOH 122 28.574 23.218 20.500 1.00 29.25 O HETATM 2802 O HOH 123 34.418 15.169 18.064 1.00 22.23 O HETATM 2803 O HOH 124 41.144 14.471 25.719 1.00 31.76 O HETATM 2804 O HOH 125 42.062 -1.884 16.483 1.00 33.28 O HETATM 2805 O HOH 126 21.705 -0.141 15.392 1.00 49.07 O HETATM 2806 O HOH 127 25.882 12.298 12.137 1.00 27.08 O HETATM 2807 O HOH 128 22.648 -3.048 30.364 1.00 41.66 O HETATM 2808 O HOH 129 36.467 -1.100 12.622 1.00 42.35 O HETATM 2809 O HOH 130 30.235 -1.197 26.796 1.00 23.24 O HETATM 2810 O HOH 131 38.187 -7.588 21.409 1.00 30.20 O HETATM 2811 O HOH 132 32.719 17.137 19.083 1.00 23.85 O HETATM 2812 O HOH 133 47.426 10.848 16.929 1.00 43.20 O HETATM 2813 O HOH 134 32.324 21.007 23.254 1.00 62.38 O HETATM 2814 O HOH 135 30.165 3.824 9.970 1.00 38.16 O HETATM 2815 O HOH 136 30.728 6.785 8.353 1.00 55.09 O HETATM 2816 O HOH 137 40.196 15.802 15.924 1.00 40.69 O HETATM 2817 O HOH 138 47.450 7.553 19.869 1.00 38.20 O HETATM 2818 O HOH 139 32.331 18.765 21.418 1.00 50.27 O HETATM 2819 O HOH 140 38.555 10.907 36.541 1.00 45.20 O HETATM 2820 O HOH 141 18.696 5.120 18.274 1.00 42.65 O HETATM 2821 O HOH 142 20.639 3.789 16.889 1.00 58.92 O HETATM 2822 O HOH 143 32.038 18.527 16.713 1.00 41.95 O HETATM 2823 O HOH 144 26.769 -0.475 32.485 1.00 35.86 O HETATM 2824 O HOH 145 47.025 -6.227 12.507 1.00 60.93 O HETATM 2825 O HOH 146 31.715 1.086 11.904 1.00 47.23 O HETATM 2826 O HOH 147 33.426 2.934 8.024 1.00 48.67 O HETATM 2827 O HOH 148 22.611 12.225 34.609 1.00 42.44 O HETATM 2828 O HOH 149 41.527 17.061 24.461 1.00 43.35 O HETATM 2829 O HOH 150 30.344 -5.064 15.793 1.00 43.77 O HETATM 2830 O HOH 151 41.940 -0.152 4.328 1.00 45.79 O HETATM 2831 O HOH 152 37.852 4.044 -18.062 1.00 59.65 O HETATM 2832 O HOH 153 19.276 4.983 -6.480 1.00 49.48 O HETATM 2833 O HOH 154 14.005 -5.276 -19.346 1.00 56.88 O HETATM 2834 O HOH 155 35.468 -7.465 -15.343 1.00 58.42 O HETATM 2835 O HOH 156 24.469 3.789 -3.811 1.00 47.69 O HETATM 2836 O HOH 157 39.864 3.239 -15.467 1.00 51.12 O HETATM 2837 O HOH 158 35.008 8.048 -1.168 1.00 39.63 O HETATM 2838 O HOH 159 13.022 0.711 -5.359 1.00 60.42 O HETATM 2839 O HOH 160 42.758 -1.916 -9.582 1.00 50.83 O HETATM 2840 O HOH 161 28.251 -11.757 -0.981 1.00 47.08 O HETATM 2841 O HOH 162 18.652 -12.039 1.921 1.00 57.71 O HETATM 2842 O HOH 163 22.962 -14.589 -0.802 1.00 63.22 O HETATM 2843 O HOH 164 21.925 -18.084 -8.318 1.00 45.32 O HETATM 2844 O HOH 165 23.233 -18.022 -4.934 1.00 54.85 O HETATM 2845 O HOH 166 20.587 -15.693 -6.413 1.00 53.52 O HETATM 2846 C4 JOK A 167 22.627 13.767 26.331 1.00 0.23 C HETATM 2847 N1 JOK A 167 22.137 12.712 25.616 1.00 -0.20 N HETATM 2848 C1 JOK A 167 22.974 11.624 25.618 1.00 0.21 C HETATM 2849 C2 JOK A 167 24.193 11.967 26.428 1.00 0.08 C HETATM 2850 C3 JOK A 167 24.077 13.482 26.644 1.00 0.15 C HETATM 2851 N2 JOK A 167 24.423 13.932 27.969 1.00 -0.26 N HETATM 2852 C5 JOK A 167 25.019 15.106 28.164 1.00 0.18 C HETATM 2853 C6 JOK A 167 25.267 15.435 29.584 1.00 0.05 C HETATM 2854 C7 JOK A 167 24.905 16.606 30.094 1.00 -0.00 C HETATM 2855 C8 JOK A 167 23.533 17.106 30.195 1.00 -0.04 C HETATM 2856 C9 JOK A 167 22.505 16.488 29.486 1.00 -0.06 C HETATM 2857 C10 JOK A 167 21.203 16.937 29.587 1.00 -0.07 C HETATM 2858 C11 JOK A 167 20.904 18.023 30.377 1.00 -0.07 C HETATM 2859 C12 JOK A 167 21.899 18.646 31.092 1.00 -0.07 C HETATM 2860 C13 JOK A 167 23.202 18.188 31.010 1.00 -0.06 C HETATM 2861 H9 JOK A 167 23.977 18.678 31.588 1.00 0.06 H HETATM 2862 H8 JOK A 167 21.663 19.497 31.721 1.00 0.06 H HETATM 2863 H3 JOK A 167 19.885 18.387 30.436 1.00 0.06 H HETATM 2864 H7 JOK A 167 20.414 16.432 29.042 1.00 0.06 H HETATM 2865 H6 JOK A 167 22.730 15.643 28.846 1.00 0.06 H HETATM 2866 H4 JOK A 167 25.445 17.360 29.502 1.00 0.05 H HETATM 2867 H5 JOK A 167 25.290 16.605 31.125 1.00 0.05 H HETATM 2868 H1 JOK A 167 26.353 15.351 29.738 1.00 0.05 H HETATM 2869 H2 JOK A 167 24.752 14.665 30.177 1.00 0.05 H HETATM 2870 O3 JOK A 167 25.362 15.839 27.236 1.00 -0.40 O HETATM 2871 H11 JOK A 167 24.212 13.352 28.756 1.00 0.19 H HETATM 2872 H12 JOK A 167 24.729 14.004 25.929 1.00 0.08 H HETATM 2873 H13 JOK A 167 24.187 11.433 27.390 1.00 0.06 H HETATM 2874 H14 JOK A 167 25.112 11.719 25.877 1.00 0.06 H HETATM 2875 O1 JOK A 167 22.739 10.586 25.027 1.00 -0.39 O HETATM 2876 H10 JOK A 167 21.258 12.730 25.140 1.00 0.23 H HETATM 2877 O2 JOK A 167 22.010 14.752 26.656 1.00 -0.38 O CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 78 77 2680 CONECT 114 113 2680 CONECT 718 717 2680 CONECT 742 741 2680 CONECT 1021 1022 1026 1027 1028 CONECT 1026 1021 CONECT 1027 1021 CONECT 1028 1021 CONECT 1080 1079 2681 CONECT 1116 1115 2681 CONECT 1720 1719 2681 CONECT 1744 1743 2681 CONECT 2019 2020 2023 2024 2025 CONECT 2023 2019 CONECT 2024 2019 CONECT 2025 2019 CONECT 2074 2073 2682 CONECT 2099 2098 2682 CONECT 2299 2300 2304 2305 2306 CONECT 2304 2299 CONECT 2305 2299 CONECT 2306 2299 CONECT 2443 2444 2448 2449 2450 CONECT 2448 2443 CONECT 2449 2443 CONECT 2450 2443 CONECT 2483 2482 2682 CONECT 2507 2506 2682 CONECT 2584 2585 2595 2596 2597 CONECT 2595 2584 CONECT 2596 2584 CONECT 2597 2584 CONECT 2680 78 114 718 742 CONECT 2681 1080 1116 1720 1744 CONECT 2682 2074 2099 2483 2507 CONECT 2846 2847 2850 2877 CONECT 2847 2846 2848 2876 CONECT 2848 2847 2849 2875 CONECT 2849 2848 2850 2873 2874 CONECT 2850 2846 2849 2851 2872 CONECT 2851 2850 2852 2871 CONECT 2852 2851 2853 2870 CONECT 2853 2852 2854 2868 2869 CONECT 2854 2853 2855 2866 2867 CONECT 2855 2854 2856 2860 CONECT 2856 2855 2857 2865 CONECT 2857 2856 2858 2864 CONECT 2858 2857 2859 2863 CONECT 2859 2858 2860 2862 CONECT 2860 2855 2859 2861 CONECT 2861 2860 CONECT 2862 2859 CONECT 2863 2858 CONECT 2864 2857 CONECT 2865 2856 CONECT 2866 2854 CONECT 2867 2854 CONECT 2868 2853 CONECT 2869 2853 CONECT 2870 2852 CONECT 2871 2851 CONECT 2872 2850 CONECT 2873 2849 CONECT 2874 2849 CONECT 2875 2848 CONECT 2876 2847 CONECT 2877 2846 MASTER 0 0 0 0 0 0 0 0 2871 6 71 26 END
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Related entries of code: 6r13
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5oh1
RCSB PDB
PDBbind
125aa, >5OH1_1|Chains... *
5oh2
RCSB PDB
PDBbind
125aa, >5OH2_1|Chains... at 100%
5oh3
RCSB PDB
PDBbind
125aa, >5OH3_1|Chains... at 100%
5oh4
RCSB PDB
PDBbind
125aa, >5OH4_1|Chains... at 100%
5oh7
RCSB PDB
PDBbind
125aa, >5OH7_1|Chains... at 100%
5oh9
RCSB PDB
PDBbind
125aa, >5OH9_1|Chains... at 100%
5oha
RCSB PDB
PDBbind
125aa, >5OHA_1|Chains... at 100%
6r1x
RCSB PDB
PDBbind
125aa, >6R1X_1|Chains... at 100%
6r1w
RCSB PDB
PDBbind
125aa, >6R1W_1|Chains... at 100%
6r1k
RCSB PDB
PDBbind
125aa, >6R1K_1|Chains... at 100%
6r1d
RCSB PDB
PDBbind
125aa, >6R1D_1|Chains... at 100%
6r1c
RCSB PDB
PDBbind
125aa, >6R1C_1|Chains... at 100%
6r1a
RCSB PDB
PDBbind
125aa, >6R1A_1|Chains... at 100%
6r18
RCSB PDB
PDBbind
125aa, >6R18_1|Chains... at 100%
6r12
RCSB PDB
PDBbind
125aa, >6R12_1|Chains... at 100%
6r0s
RCSB PDB
PDBbind
125aa, >6R0S_1|Chains... at 100%
6r0u
RCSB PDB
PDBbind
125aa, >6R0U_1|Chains... at 100%
6r0v
RCSB PDB
PDBbind
125aa, >6R0V_1|Chains... at 100%
6r11
RCSB PDB
PDBbind
125aa, >6R11_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6r13
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
JOK
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Ki=20uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 6615-6629
Ligand Properties
Formula
C
1
3
H
1
4
N
2
O
3
Molecular Weight
246.262
Exact Mass
246.100
No. of atoms
32
No. of bonds
33
Polar Surface Area
75.27
LOGP Value
0.30 (
Computed with XLOGP3
)
0.87 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
O=C(N[C@H]1CC(=O)NC1=O)CCc1ccccc1
InChI String
InChI=1S/C13H14N2O3/c16-11(7-6-9-4-2-1-3-5-9)14-10-8-12(17)15-13(10)18/h1-5,10H,6-8H2,(H,14,16)(H,15,17,18)/t10-/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):
A4TVL0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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