Browse entries in the PDBbind-CN Database
HEADER 6R12_COMPLEX COMPND 6R12_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 ALA PRO GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY SEQRES 2 A 109 GLN THR ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY SEQRES 3 A 109 GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET SEQRES 4 A 109 ILE PHE ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU SEQRES 5 A 109 ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE SEQRES 6 A 109 LYS GLY TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS SEQRES 7 A 109 GLY SER HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN SEQRES 8 A 109 PRO GLN THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA SEQRES 9 A 109 GLU GLY PRO ALA ASP 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 107 GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR SEQRES 2 C 107 ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP SEQRES 3 C 107 HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE SEQRES 4 C 107 ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU SEQRES 5 C 107 ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY SEQRES 6 C 107 TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER SEQRES 7 C 107 HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN SEQRES 8 C 107 THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY SEQRES 9 C 107 PRO ALA ASP HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET JOT A 515 29 ATOM 1 N ALA A 16 11.068 12.817 26.761 1.00 47.32 N ATOM 2 CA ALA A 16 12.423 13.356 26.565 1.00 47.29 C ATOM 3 C ALA A 16 13.194 12.643 25.428 1.00 46.04 C ATOM 4 O ALA A 16 14.294 12.142 25.707 1.00 49.41 O ATOM 5 CB ALA A 16 13.252 13.192 27.860 1.00 45.81 C ATOM 6 HN3 ALA A 16 11.129 11.807 27.003 1.00 0.00 H ATOM 7 HN2 ALA A 16 10.520 12.932 25.884 1.00 0.00 H ATOM 8 HN1 ALA A 16 10.600 13.332 27.534 1.00 0.00 H ATOM 9 N PRO A 17 12.652 12.571 24.191 1.00 46.73 N ATOM 10 CA PRO A 17 13.477 11.928 23.104 1.00 45.58 C ATOM 11 C PRO A 17 14.762 12.713 22.857 1.00 42.59 C ATOM 12 O PRO A 17 14.657 13.916 22.791 1.00 43.03 O ATOM 13 CB PRO A 17 12.606 12.104 21.835 1.00 47.65 C ATOM 14 CG PRO A 17 11.529 13.089 22.201 1.00 46.18 C ATOM 15 CD PRO A 17 11.331 13.061 23.682 1.00 45.83 C ATOM 16 N GLY A 18 15.927 12.091 22.691 1.00 41.86 N ATOM 17 CA GLY A 18 17.139 12.830 22.204 1.00 39.80 C ATOM 18 C GLY A 18 17.362 12.728 20.723 1.00 41.52 C ATOM 19 O GLY A 18 18.326 13.278 20.209 1.00 41.15 O ATOM 20 H GLY A 18 15.999 11.075 22.902 1.00 0.00 H ATOM 21 N ALA A 19 16.490 12.040 20.001 1.00 43.31 N ATOM 22 CA ALA A 19 16.730 11.762 18.528 1.00 48.01 C ATOM 23 C ALA A 19 15.571 12.324 17.731 1.00 43.72 C ATOM 24 O ALA A 19 14.726 11.607 17.234 1.00 52.49 O ATOM 25 CB ALA A 19 16.866 10.259 18.264 1.00 52.34 C ATOM 26 H ALA A 19 15.624 11.683 20.452 1.00 0.00 H ATOM 27 N SER A 20 15.367 13.589 17.895 1.00 38.07 N ATOM 28 CA SER A 20 14.165 14.090 17.365 1.00 35.98 C ATOM 29 C SER A 20 14.254 15.129 16.327 1.00 29.91 C ATOM 30 O SER A 20 13.556 15.055 15.362 1.00 32.80 O ATOM 31 CB SER A 20 13.299 14.536 18.505 1.00 41.60 C ATOM 32 OG SER A 20 12.248 15.290 18.047 1.00 41.06 O ATOM 33 HG SER A 20 11.689 15.574 18.813 1.00 0.00 H ATOM 34 H SER A 20 16.050 14.199 18.388 1.00 0.00 H ATOM 35 N ILE A 21 15.049 16.140 16.547 1.00 29.21 N ATOM 36 CA ILE A 21 15.168 17.129 15.538 1.00 26.01 C ATOM 37 C ILE A 21 16.591 17.318 15.016 1.00 24.96 C ATOM 38 O ILE A 21 17.518 16.964 15.651 1.00 24.71 O ATOM 39 CB ILE A 21 14.525 18.434 15.899 1.00 32.23 C ATOM 40 CG1 ILE A 21 15.440 19.259 16.671 1.00 31.20 C ATOM 41 CG2 ILE A 21 13.188 18.329 16.626 1.00 34.43 C ATOM 42 CD1 ILE A 21 15.467 20.533 15.958 1.00 34.16 C ATOM 43 H ILE A 21 15.580 16.218 17.438 1.00 0.00 H ATOM 44 N PHE A 22 16.703 17.807 13.807 1.00 19.93 N ATOM 45 CA PHE A 22 17.975 18.035 13.186 1.00 20.09 C ATOM 46 C PHE A 22 18.246 19.516 13.048 1.00 19.90 C ATOM 47 O PHE A 22 17.447 20.215 12.523 1.00 18.98 O ATOM 48 CB PHE A 22 18.005 17.421 11.795 1.00 21.15 C ATOM 49 CG PHE A 22 18.052 15.935 11.786 1.00 21.38 C ATOM 50 CD1 PHE A 22 19.231 15.269 11.953 1.00 23.75 C ATOM 51 CD2 PHE A 22 16.910 15.200 11.629 1.00 23.99 C ATOM 52 CE1 PHE A 22 19.272 13.915 11.966 1.00 24.77 C ATOM 53 CE2 PHE A 22 16.951 13.850 11.607 1.00 22.84 C ATOM 54 CZ PHE A 22 18.131 13.206 11.797 1.00 23.49 C ATOM 55 H PHE A 22 15.838 18.038 13.278 1.00 0.00 H ATOM 56 N ARG A 23 19.415 19.931 13.522 1.00 18.88 N ATOM 57 CA ARG A 23 19.851 21.302 13.399 1.00 19.05 C ATOM 58 C ARG A 23 21.119 21.439 12.591 1.00 19.10 C ATOM 59 O ARG A 23 21.768 20.441 12.388 1.00 18.67 O ATOM 60 CB ARG A 23 20.188 21.891 14.777 1.00 20.61 C ATOM 61 CG ARG A 23 19.017 21.929 15.722 1.00 21.95 C ATOM 62 CD ARG A 23 19.345 22.656 17.093 1.00 25.49 C ATOM 63 NE ARG A 23 18.055 22.691 17.806 1.00 24.70 N ATOM 64 CZ ARG A 23 17.089 23.550 17.599 1.00 26.62 C ATOM 65 NH1 ARG A 23 17.273 24.609 16.820 1.00 26.73 N ATOM 66 NH2 ARG A 23 15.951 23.368 18.256 1.00 28.07 N ATOM 67 HE ARG A 23 17.899 21.969 18.538 1.00 0.00 H ATOM 68 HH12 ARG A 23 16.496 25.282 16.666 1.00 0.00 H ATOM 69 HH11 ARG A 23 18.195 24.765 16.364 1.00 0.00 H ATOM 70 HH22 ARG A 23 15.160 24.029 18.119 1.00 0.00 H ATOM 71 HH21 ARG A 23 15.850 22.564 18.908 1.00 0.00 H ATOM 72 H ARG A 23 20.037 19.246 13.997 1.00 0.00 H ATOM 73 N CYS A 24 21.397 22.621 12.015 1.00 19.28 N ATOM 74 CA CYS A 24 22.626 22.853 11.412 1.00 19.37 C ATOM 75 C CYS A 24 23.792 22.559 12.404 1.00 19.63 C ATOM 76 O CYS A 24 23.787 23.159 13.472 1.00 18.27 O ATOM 77 CB CYS A 24 22.739 24.243 10.866 1.00 19.84 C ATOM 78 SG CYS A 24 24.325 24.707 10.093 1.00 19.10 S ATOM 79 H CYS A 24 20.680 23.374 12.021 1.00 0.00 H ATOM 80 N ARG A 25 24.791 21.801 11.992 1.00 20.40 N ATOM 81 CA ARG A 25 25.896 21.505 12.837 1.00 21.39 C ATOM 82 C ARG A 25 26.778 22.691 13.136 1.00 22.04 C ATOM 83 O ARG A 25 27.425 22.688 14.213 1.00 22.70 O ATOM 84 CB ARG A 25 26.722 20.385 12.171 1.00 23.86 C ATOM 85 CG ARG A 25 28.011 20.070 12.811 1.00 24.71 C ATOM 86 CD ARG A 25 28.632 19.009 11.978 1.00 23.68 C ATOM 87 NE ARG A 25 29.897 18.779 12.565 1.00 25.24 N ATOM 88 CZ ARG A 25 30.765 17.856 12.207 1.00 22.95 C ATOM 89 NH1 ARG A 25 30.461 17.004 11.195 1.00 19.95 N ATOM 90 NH2 ARG A 25 31.970 17.857 12.825 1.00 23.35 N ATOM 91 HE ARG A 25 30.168 19.398 13.355 1.00 0.00 H ATOM 92 HH12 ARG A 25 31.143 16.273 10.908 1.00 0.00 H ATOM 93 HH11 ARG A 25 29.546 17.082 10.707 1.00 0.00 H ATOM 94 HH22 ARG A 25 32.685 17.145 12.572 1.00 0.00 H ATOM 95 HH21 ARG A 25 32.181 18.570 13.553 1.00 0.00 H ATOM 96 H ARG A 25 24.770 21.412 11.028 1.00 0.00 H ATOM 97 N GLN A 26 26.787 23.669 12.265 1.00 19.56 N ATOM 98 CA GLN A 26 27.629 24.847 12.463 1.00 23.00 C ATOM 99 C GLN A 26 27.050 25.926 13.358 1.00 24.67 C ATOM 100 O GLN A 26 27.781 26.633 13.996 1.00 27.96 O ATOM 101 CB GLN A 26 28.061 25.397 11.106 1.00 25.67 C ATOM 102 CG GLN A 26 28.742 24.293 10.297 1.00 27.13 C ATOM 103 CD GLN A 26 29.967 23.759 10.874 1.00 31.58 C ATOM 104 OE1 GLN A 26 30.703 24.484 11.554 1.00 30.77 O ATOM 105 NE2 GLN A 26 30.252 22.464 10.601 1.00 35.21 N ATOM 106 HE22 GLN A 26 29.598 21.898 10.023 1.00 0.00 H ATOM 107 HE21 GLN A 26 31.125 22.035 10.969 1.00 0.00 H ATOM 108 H GLN A 26 26.185 23.606 11.419 1.00 0.00 H ATOM 109 N CYS A 27 25.755 26.066 13.410 1.00 21.38 N ATOM 110 CA CYS A 27 25.121 27.172 14.081 1.00 23.42 C ATOM 111 C CYS A 27 23.900 26.906 14.850 1.00 22.86 C ATOM 112 O CYS A 27 23.381 27.782 15.550 1.00 22.66 O ATOM 113 CB CYS A 27 24.895 28.257 13.047 1.00 22.47 C ATOM 114 SG CYS A 27 23.406 27.920 12.020 1.00 20.82 S ATOM 115 H CYS A 27 25.156 25.351 12.949 1.00 0.00 H ATOM 116 N GLY A 28 23.300 25.708 14.713 1.00 21.25 N ATOM 117 CA GLY A 28 22.115 25.297 15.400 1.00 20.99 C ATOM 118 C GLY A 28 20.766 25.683 14.877 1.00 21.73 C ATOM 119 O GLY A 28 19.700 25.361 15.501 1.00 23.01 O ATOM 120 H GLY A 28 23.733 25.028 14.056 1.00 0.00 H ATOM 121 N GLN A 29 20.731 26.349 13.742 1.00 19.60 N ATOM 122 CA GLN A 29 19.415 26.593 13.093 1.00 21.61 C ATOM 123 C GLN A 29 18.622 25.307 12.972 1.00 20.92 C ATOM 124 O GLN A 29 19.134 24.310 12.566 1.00 19.67 O ATOM 125 CB GLN A 29 19.673 27.109 11.644 1.00 23.21 C ATOM 126 CG GLN A 29 18.510 27.265 10.758 1.00 22.55 C ATOM 127 CD GLN A 29 17.881 28.619 10.874 1.00 28.13 C ATOM 128 OE1 GLN A 29 17.664 29.130 11.917 1.00 27.28 O ATOM 129 NE2 GLN A 29 17.604 29.217 9.704 1.00 31.05 N ATOM 130 HE22 GLN A 29 17.812 28.730 8.809 1.00 0.00 H ATOM 131 HE21 GLN A 29 17.182 30.167 9.693 1.00 0.00 H ATOM 132 H GLN A 29 21.608 26.699 13.307 1.00 0.00 H ATOM 133 N THR A 30 17.341 25.373 13.322 1.00 20.26 N ATOM 134 CA THR A 30 16.433 24.248 13.173 1.00 19.79 C ATOM 135 C THR A 30 16.257 23.955 11.688 1.00 20.89 C ATOM 136 O THR A 30 15.963 24.844 10.916 1.00 19.39 O ATOM 137 CB THR A 30 14.992 24.668 13.726 1.00 24.35 C ATOM 138 OG1 THR A 30 15.091 25.394 14.962 1.00 30.52 O ATOM 139 CG2 THR A 30 14.193 23.447 13.877 1.00 24.70 C ATOM 140 HG1 THR A 30 14.184 25.637 15.274 1.00 0.00 H ATOM 141 H THR A 30 16.975 26.263 13.717 1.00 0.00 H ATOM 142 N ILE A 31 16.398 22.698 11.301 1.00 19.97 N ATOM 143 CA ILE A 31 16.320 22.316 9.902 1.00 20.35 C ATOM 144 C ILE A 31 15.296 21.234 9.643 1.00 21.72 C ATOM 145 O ILE A 31 14.526 21.395 8.754 1.00 23.45 O ATOM 146 CB ILE A 31 17.692 21.745 9.353 1.00 19.21 C ATOM 147 CG1 ILE A 31 18.807 22.803 9.500 1.00 19.54 C ATOM 148 CG2 ILE A 31 17.567 21.441 7.804 1.00 18.89 C ATOM 149 CD1 ILE A 31 18.626 24.101 8.768 1.00 19.45 C ATOM 150 H ILE A 31 16.569 21.964 12.017 1.00 0.00 H ATOM 151 N SER A 32 15.308 20.074 10.324 1.00 21.21 N ATOM 152 CA SER A 32 14.268 19.087 10.025 1.00 22.43 C ATOM 153 C SER A 32 13.973 18.216 11.240 1.00 22.76 C ATOM 154 O SER A 32 14.446 18.566 12.363 1.00 21.44 O ATOM 155 CB SER A 32 14.653 18.337 8.795 1.00 21.71 C ATOM 156 OG SER A 32 13.605 17.516 8.310 1.00 22.52 O ATOM 157 HG SER A 32 12.821 18.079 8.091 1.00 0.00 H ATOM 158 H SER A 32 16.035 19.883 11.043 1.00 0.00 H ATOM 159 N ARG A 33 13.367 17.049 11.033 1.00 22.66 N ATOM 160 CA ARG A 33 12.948 16.184 12.163 1.00 23.55 C ATOM 161 C ARG A 33 13.075 14.774 11.725 1.00 23.18 C ATOM 162 O ARG A 33 12.814 14.453 10.541 1.00 22.29 O ATOM 163 CB ARG A 33 11.459 16.460 12.566 1.00 27.09 C ATOM 164 CG ARG A 33 11.133 17.920 12.876 1.00 31.42 C ATOM 165 CD ARG A 33 9.650 18.108 13.234 1.00 35.82 C ATOM 166 NE ARG A 33 9.473 17.852 14.631 1.00 43.39 N ATOM 167 CZ ARG A 33 9.803 18.745 15.595 1.00 46.84 C ATOM 168 NH1 ARG A 33 10.336 19.951 15.279 1.00 49.98 N ATOM 169 NH2 ARG A 33 9.624 18.431 16.868 1.00 44.83 N ATOM 170 HE ARG A 33 9.072 16.937 14.920 1.00 0.00 H ATOM 171 HH12 ARG A 33 10.583 20.624 16.033 1.00 0.00 H ATOM 172 HH11 ARG A 33 10.498 20.203 14.283 1.00 0.00 H ATOM 173 HH22 ARG A 33 9.876 19.113 17.612 1.00 0.00 H ATOM 174 HH21 ARG A 33 9.232 17.503 17.124 1.00 0.00 H ATOM 175 H ARG A 33 13.183 16.737 10.058 1.00 0.00 H ATOM 176 N ARG A 34 13.353 13.898 12.632 1.00 24.39 N ATOM 177 CA ARG A 34 13.433 12.456 12.286 1.00 26.21 C ATOM 178 C ARG A 34 12.070 11.923 11.742 1.00 24.34 C ATOM 179 O ARG A 34 12.019 11.111 10.854 1.00 23.18 O ATOM 180 CB ARG A 34 13.989 11.673 13.471 1.00 29.25 C ATOM 181 CG ARG A 34 13.904 10.181 13.416 1.00 33.34 C ATOM 182 CD ARG A 34 14.899 9.437 14.332 1.00 39.51 C ATOM 183 NE ARG A 34 16.327 9.608 13.950 1.00 40.43 N ATOM 184 CZ ARG A 34 17.016 8.864 13.076 1.00 40.90 C ATOM 185 NH1 ARG A 34 16.564 7.763 12.468 1.00 42.21 N ATOM 186 NH2 ARG A 34 18.231 9.168 12.863 1.00 42.27 N ATOM 187 HE ARG A 34 16.843 10.386 14.409 1.00 0.00 H ATOM 188 HH12 ARG A 34 17.175 7.249 11.801 1.00 0.00 H ATOM 189 HH11 ARG A 34 15.601 7.420 12.661 1.00 0.00 H ATOM 190 HH22 ARG A 34 18.796 8.611 12.190 1.00 0.00 H ATOM 191 HH21 ARG A 34 18.661 9.973 13.361 1.00 0.00 H ATOM 192 H ARG A 34 13.522 14.204 13.611 1.00 0.00 H ATOM 193 N ASP A 35 10.999 12.428 12.280 1.00 26.40 N ATOM 194 CA ASP A 35 9.640 12.059 11.844 1.00 28.63 C ATOM 195 C ASP A 35 9.459 12.335 10.358 1.00 28.92 C ATOM 196 O ASP A 35 8.516 11.879 9.771 1.00 26.62 O ATOM 197 CB ASP A 35 8.597 12.930 12.596 1.00 32.16 C ATOM 198 CG ASP A 35 8.291 12.434 14.016 1.00 39.46 C ATOM 199 OD1 ASP A 35 8.768 11.331 14.406 1.00 39.85 O ATOM 200 OD2 ASP A 35 7.631 13.255 14.712 1.00 44.35 O ATOM 201 H ASP A 35 11.106 13.120 13.049 1.00 0.00 H ATOM 202 N TRP A 36 10.273 13.280 9.794 1.00 25.71 N ATOM 203 CA TRP A 36 10.127 13.721 8.396 1.00 23.11 C ATOM 204 C TRP A 36 11.038 12.981 7.448 1.00 22.27 C ATOM 205 O TRP A 36 11.064 13.273 6.237 1.00 21.15 O ATOM 206 CB TRP A 36 10.287 15.181 8.278 1.00 23.42 C ATOM 207 CG TRP A 36 9.338 16.002 9.049 1.00 25.16 C ATOM 208 CD1 TRP A 36 8.120 15.584 9.582 1.00 25.89 C ATOM 209 CD2 TRP A 36 9.419 17.386 9.334 1.00 27.46 C ATOM 210 NE1 TRP A 36 7.493 16.616 10.194 1.00 28.42 N ATOM 211 CE2 TRP A 36 8.257 17.727 10.109 1.00 28.67 C ATOM 212 CE3 TRP A 36 10.333 18.369 9.062 1.00 30.39 C ATOM 213 CZ2 TRP A 36 7.984 19.018 10.536 1.00 31.28 C ATOM 214 CZ3 TRP A 36 10.101 19.666 9.513 1.00 28.84 C ATOM 215 CH2 TRP A 36 8.895 19.999 10.217 1.00 30.84 C ATOM 216 HE1 TRP A 36 6.564 16.562 10.659 1.00 0.00 H ATOM 217 H TRP A 36 11.024 13.703 10.375 1.00 0.00 H ATOM 218 N LEU A 37 11.725 11.985 7.934 1.00 23.81 N ATOM 219 CA LEU A 37 12.533 11.135 7.013 1.00 25.29 C ATOM 220 C LEU A 37 11.663 10.505 5.969 1.00 26.29 C ATOM 221 O LEU A 37 10.502 10.108 6.248 1.00 24.06 O ATOM 222 CB LEU A 37 13.284 10.048 7.722 1.00 26.22 C ATOM 223 CG LEU A 37 14.444 10.593 8.499 1.00 28.57 C ATOM 224 CD1 LEU A 37 14.848 9.581 9.613 1.00 29.93 C ATOM 225 CD2 LEU A 37 15.578 10.970 7.572 1.00 28.03 C ATOM 226 H LEU A 37 11.710 11.785 8.955 1.00 0.00 H ATOM 227 N LEU A 38 12.144 10.460 4.726 1.00 24.82 N ATOM 228 CA LEU A 38 11.377 9.994 3.583 1.00 26.61 C ATOM 229 C LEU A 38 12.123 8.878 2.835 1.00 30.12 C ATOM 230 O LEU A 38 13.161 9.132 2.215 1.00 28.30 O ATOM 231 CB LEU A 38 11.208 11.147 2.603 1.00 26.84 C ATOM 232 CG LEU A 38 10.538 10.840 1.237 1.00 29.13 C ATOM 233 CD1 LEU A 38 9.144 10.249 1.526 1.00 32.49 C ATOM 234 CD2 LEU A 38 10.519 12.089 0.360 1.00 29.03 C ATOM 235 H LEU A 38 13.122 10.776 4.566 1.00 0.00 H ATOM 236 N PRO A 39 11.620 7.641 2.836 1.00 29.71 N ATOM 237 CA PRO A 39 12.336 6.611 2.122 1.00 31.28 C ATOM 238 C PRO A 39 12.193 6.584 0.563 1.00 34.64 C ATOM 239 O PRO A 39 11.488 5.740 0.019 1.00 47.63 O ATOM 240 CB PRO A 39 11.777 5.322 2.745 1.00 35.65 C ATOM 241 CG PRO A 39 10.386 5.667 3.156 1.00 34.06 C ATOM 242 CD PRO A 39 10.481 7.115 3.631 1.00 32.29 C ATOM 243 N MET A 40 12.985 7.344 -0.159 1.00 33.41 N ATOM 244 CA MET A 40 13.067 7.408 -1.620 1.00 31.52 C ATOM 245 C MET A 40 13.675 6.175 -2.173 1.00 35.02 C ATOM 246 O MET A 40 14.700 5.760 -1.696 1.00 31.35 O ATOM 247 CB MET A 40 13.903 8.596 -2.085 1.00 31.86 C ATOM 248 CG MET A 40 13.248 9.902 -1.783 1.00 31.65 C ATOM 249 SD MET A 40 11.665 10.331 -2.674 1.00 35.39 S ATOM 250 CE MET A 40 12.350 9.980 -4.264 1.00 36.99 C ATOM 251 H MET A 40 13.627 7.971 0.367 1.00 0.00 H ATOM 252 N GLY A 41 13.004 5.565 -3.147 1.00 37.19 N ATOM 253 CA GLY A 41 13.217 4.213 -3.578 1.00 39.52 C ATOM 254 C GLY A 41 13.511 3.192 -2.507 1.00 41.12 C ATOM 255 O GLY A 41 14.428 2.373 -2.709 1.00 44.29 O ATOM 256 H GLY A 41 12.266 6.112 -3.635 1.00 0.00 H ATOM 257 N GLY A 42 12.817 3.241 -1.364 1.00 39.64 N ATOM 258 CA GLY A 42 12.977 2.206 -0.334 1.00 37.47 C ATOM 259 C GLY A 42 13.961 2.528 0.780 1.00 39.00 C ATOM 260 O GLY A 42 14.120 1.740 1.725 1.00 40.92 O ATOM 261 H GLY A 42 12.153 4.025 -1.202 1.00 0.00 H ATOM 262 N ASP A 43 14.658 3.677 0.730 1.00 33.47 N ATOM 263 CA ASP A 43 15.647 3.943 1.792 1.00 33.88 C ATOM 264 C ASP A 43 15.742 5.421 1.955 1.00 30.70 C ATOM 265 O ASP A 43 15.759 6.138 0.951 1.00 31.96 O ATOM 266 CB ASP A 43 16.984 3.325 1.340 1.00 38.64 C ATOM 267 CG ASP A 43 17.997 3.207 2.468 1.00 44.29 C ATOM 268 OD1 ASP A 43 17.896 3.929 3.526 1.00 44.16 O ATOM 269 OD2 ASP A 43 18.982 2.439 2.302 1.00 47.82 O ATOM 270 H ASP A 43 14.504 4.361 -0.038 1.00 0.00 H ATOM 271 N HIS A 44 15.766 5.919 3.177 1.00 29.30 N ATOM 272 CA HIS A 44 15.917 7.350 3.360 1.00 29.64 C ATOM 273 C HIS A 44 17.391 7.798 3.088 1.00 28.63 C ATOM 274 O HIS A 44 17.639 8.959 2.911 1.00 27.54 O ATOM 275 CB HIS A 44 15.415 7.808 4.704 1.00 30.82 C ATOM 276 CG HIS A 44 16.204 7.293 5.875 1.00 34.03 C ATOM 277 ND1 HIS A 44 15.671 6.442 6.812 1.00 40.59 N ATOM 278 CD2 HIS A 44 17.434 7.621 6.332 1.00 35.08 C ATOM 279 CE1 HIS A 44 16.560 6.211 7.774 1.00 40.75 C ATOM 280 NE2 HIS A 44 17.641 6.929 7.516 1.00 36.84 N ATOM 281 H HIS A 44 15.677 5.291 4.001 1.00 0.00 H ATOM 282 N GLU A 45 18.283 6.857 3.110 1.00 28.42 N ATOM 283 CA GLU A 45 19.728 7.099 2.919 1.00 27.83 C ATOM 284 C GLU A 45 20.177 6.727 1.525 1.00 29.57 C ATOM 285 O GLU A 45 19.871 5.632 1.065 1.00 30.03 O ATOM 286 CB GLU A 45 20.509 6.363 3.929 1.00 30.19 C ATOM 287 CG GLU A 45 21.983 6.589 3.813 1.00 31.73 C ATOM 288 CD GLU A 45 22.713 5.953 4.941 1.00 36.99 C ATOM 289 OE1 GLU A 45 22.889 6.634 5.955 1.00 34.95 O ATOM 290 OE2 GLU A 45 23.178 4.815 4.756 1.00 39.51 O ATOM 291 H GLU A 45 17.964 5.880 3.271 1.00 0.00 H ATOM 292 N HIS A 46 20.816 7.696 0.826 1.00 26.25 N ATOM 293 CA HIS A 46 21.342 7.549 -0.514 1.00 27.67 C ATOM 294 C HIS A 46 22.807 7.994 -0.543 1.00 27.72 C ATOM 295 O HIS A 46 23.101 9.104 -0.182 1.00 27.53 O ATOM 296 CB HIS A 46 20.527 8.332 -1.445 1.00 28.26 C ATOM 297 CG HIS A 46 19.193 7.684 -1.683 1.00 31.22 C ATOM 298 ND1 HIS A 46 18.925 6.921 -2.806 1.00 31.98 N ATOM 299 CD2 HIS A 46 18.108 7.580 -0.882 1.00 30.28 C ATOM 300 CE1 HIS A 46 17.667 6.494 -2.744 1.00 34.67 C ATOM 301 NE2 HIS A 46 17.161 6.870 -1.587 1.00 28.93 N ATOM 302 H HIS A 46 20.938 8.619 1.289 1.00 0.00 H ATOM 303 N VAL A 47 23.704 7.134 -0.968 1.00 27.06 N ATOM 304 CA VAL A 47 25.134 7.446 -0.985 1.00 28.38 C ATOM 305 C VAL A 47 25.534 7.738 -2.390 1.00 26.38 C ATOM 306 O VAL A 47 25.352 6.931 -3.254 1.00 27.47 O ATOM 307 CB VAL A 47 26.034 6.378 -0.352 1.00 33.06 C ATOM 308 CG1 VAL A 47 27.471 6.973 -0.230 1.00 34.57 C ATOM 309 CG2 VAL A 47 25.487 6.003 1.041 1.00 34.32 C ATOM 310 H VAL A 47 23.388 6.202 -1.303 1.00 0.00 H ATOM 311 N VAL A 48 25.952 8.952 -2.632 1.00 24.43 N ATOM 312 CA VAL A 48 26.151 9.423 -3.959 1.00 24.85 C ATOM 313 C VAL A 48 27.373 10.288 -4.123 1.00 25.21 C ATOM 314 O VAL A 48 27.942 10.625 -3.179 1.00 24.82 O ATOM 315 CB VAL A 48 24.928 10.310 -4.305 1.00 25.45 C ATOM 316 CG1 VAL A 48 23.638 9.511 -4.197 1.00 25.78 C ATOM 317 CG2 VAL A 48 24.843 11.494 -3.365 1.00 24.52 C ATOM 318 H VAL A 48 26.144 9.590 -1.834 1.00 0.00 H ATOM 319 N PHE A 49 27.747 10.616 -5.348 1.00 25.73 N ATOM 320 CA PHE A 49 28.838 11.532 -5.568 1.00 27.03 C ATOM 321 C PHE A 49 28.622 12.546 -6.671 1.00 27.18 C ATOM 322 O PHE A 49 27.944 12.278 -7.610 1.00 25.49 O ATOM 323 CB PHE A 49 30.151 10.794 -5.732 1.00 32.73 C ATOM 324 CG PHE A 49 30.313 10.129 -7.031 1.00 36.45 C ATOM 325 CD1 PHE A 49 30.794 10.822 -8.123 1.00 42.17 C ATOM 326 CD2 PHE A 49 30.022 8.810 -7.169 1.00 41.44 C ATOM 327 CE1 PHE A 49 30.992 10.199 -9.348 1.00 44.47 C ATOM 328 CE2 PHE A 49 30.206 8.176 -8.395 1.00 45.95 C ATOM 329 CZ PHE A 49 30.701 8.870 -9.478 1.00 46.38 C ATOM 330 H PHE A 49 27.247 10.208 -6.164 1.00 0.00 H ATOM 331 N ASN A 50 29.194 13.720 -6.523 1.00 26.32 N ATOM 332 CA ASN A 50 29.041 14.757 -7.505 1.00 28.40 C ATOM 333 C ASN A 50 30.140 14.777 -8.608 1.00 30.53 C ATOM 334 O ASN A 50 31.033 13.999 -8.583 1.00 30.86 O ATOM 335 CB ASN A 50 28.817 16.110 -6.838 1.00 27.59 C ATOM 336 CG ASN A 50 30.061 16.655 -6.203 1.00 27.35 C ATOM 337 OD1 ASN A 50 31.107 16.125 -6.405 1.00 29.94 O ATOM 338 ND2 ASN A 50 29.942 17.719 -5.473 1.00 27.43 N ATOM 339 HD22 ASN A 50 29.005 18.146 -5.325 1.00 0.00 H ATOM 340 HD21 ASN A 50 30.783 18.146 -5.035 1.00 0.00 H ATOM 341 H ASN A 50 29.770 13.902 -5.676 1.00 0.00 H ATOM 342 N PRO A 51 30.023 15.661 -9.579 1.00 31.76 N ATOM 343 CA PRO A 51 31.025 15.657 -10.644 1.00 35.00 C ATOM 344 C PRO A 51 32.420 15.977 -10.150 1.00 34.19 C ATOM 345 O PRO A 51 33.348 15.633 -10.847 1.00 36.89 O ATOM 346 CB PRO A 51 30.539 16.704 -11.687 1.00 36.01 C ATOM 347 CG PRO A 51 28.985 16.618 -11.482 1.00 33.85 C ATOM 348 CD PRO A 51 28.791 16.413 -9.980 1.00 32.19 C ATOM 349 N ALA A 52 32.535 16.594 -9.001 1.00 31.81 N ATOM 350 CA ALA A 52 33.806 16.899 -8.370 1.00 32.95 C ATOM 351 C ALA A 52 34.294 15.748 -7.488 1.00 33.03 C ATOM 352 O ALA A 52 35.235 15.927 -6.727 1.00 32.78 O ATOM 353 CB ALA A 52 33.766 18.167 -7.589 1.00 32.27 C ATOM 354 H ALA A 52 31.664 16.883 -8.511 1.00 0.00 H ATOM 355 N GLY A 53 33.629 14.604 -7.558 1.00 32.43 N ATOM 356 CA GLY A 53 33.963 13.380 -6.914 1.00 32.98 C ATOM 357 C GLY A 53 33.733 13.340 -5.427 1.00 31.83 C ATOM 358 O GLY A 53 34.151 12.391 -4.773 1.00 31.36 O ATOM 359 H GLY A 53 32.771 14.600 -8.146 1.00 0.00 H ATOM 360 N MET A 54 33.109 14.335 -4.849 1.00 30.45 N ATOM 361 CA MET A 54 32.777 14.379 -3.439 1.00 32.27 C ATOM 362 C MET A 54 31.617 13.410 -3.193 1.00 31.62 C ATOM 363 O MET A 54 30.631 13.428 -3.916 1.00 29.30 O ATOM 364 CB MET A 54 32.368 15.765 -3.042 1.00 34.17 C ATOM 365 CG MET A 54 31.884 15.917 -1.634 1.00 39.37 C ATOM 366 SD MET A 54 33.084 15.273 -0.436 1.00 52.07 S ATOM 367 CE MET A 54 34.500 16.408 -0.756 1.00 46.66 C ATOM 368 H MET A 54 32.834 15.146 -5.439 1.00 0.00 H ATOM 369 N ILE A 55 31.781 12.600 -2.165 1.00 29.07 N ATOM 370 CA ILE A 55 30.801 11.563 -1.792 1.00 30.67 C ATOM 371 C ILE A 55 29.944 12.151 -0.653 1.00 27.47 C ATOM 372 O ILE A 55 30.448 12.874 0.220 1.00 30.04 O ATOM 373 CB ILE A 55 31.493 10.295 -1.318 1.00 31.97 C ATOM 374 CG1 ILE A 55 32.238 9.700 -2.460 1.00 38.91 C ATOM 375 CG2 ILE A 55 30.506 9.262 -0.809 1.00 31.68 C ATOM 376 CD1 ILE A 55 33.110 8.525 -2.125 1.00 41.10 C ATOM 377 H ILE A 55 32.642 12.697 -1.590 1.00 0.00 H ATOM 378 N PHE A 56 28.652 11.951 -0.731 1.00 26.50 N ATOM 379 CA PHE A 56 27.721 12.442 0.274 1.00 24.08 C ATOM 380 C PHE A 56 26.798 11.307 0.714 1.00 25.06 C ATOM 381 O PHE A 56 26.315 10.533 -0.028 1.00 24.38 O ATOM 382 CB PHE A 56 26.834 13.533 -0.257 1.00 23.19 C ATOM 383 CG PHE A 56 27.585 14.762 -0.824 1.00 24.19 C ATOM 384 CD1 PHE A 56 28.006 15.804 -0.027 1.00 23.43 C ATOM 385 CD2 PHE A 56 27.831 14.868 -2.187 1.00 24.48 C ATOM 386 CE1 PHE A 56 28.547 16.943 -0.589 1.00 23.24 C ATOM 387 CE2 PHE A 56 28.438 15.979 -2.687 1.00 25.26 C ATOM 388 CZ PHE A 56 28.783 17.006 -1.918 1.00 25.03 C ATOM 389 H PHE A 56 28.277 11.421 -1.543 1.00 0.00 H ATOM 390 N ARG A 57 26.532 11.310 2.018 1.00 24.45 N ATOM 391 CA ARG A 57 25.578 10.452 2.596 1.00 26.22 C ATOM 392 C ARG A 57 24.364 11.355 2.733 1.00 22.72 C ATOM 393 O ARG A 57 24.367 12.189 3.619 1.00 23.59 O ATOM 394 CB ARG A 57 26.064 10.030 3.969 1.00 30.17 C ATOM 395 CG ARG A 57 25.089 8.987 4.569 1.00 35.48 C ATOM 396 CD ARG A 57 25.321 8.844 6.106 1.00 41.19 C ATOM 397 NE ARG A 57 26.594 8.203 6.340 1.00 46.48 N ATOM 398 CZ ARG A 57 26.787 6.934 6.686 1.00 53.26 C ATOM 399 NH1 ARG A 57 25.752 6.101 6.900 1.00 53.76 N ATOM 400 NH2 ARG A 57 28.062 6.511 6.913 1.00 58.23 N ATOM 401 HE ARG A 57 27.443 8.792 6.227 1.00 0.00 H ATOM 402 HH12 ARG A 57 25.928 5.112 7.170 1.00 0.00 H ATOM 403 HH11 ARG A 57 24.777 6.446 6.795 1.00 0.00 H ATOM 404 HH22 ARG A 57 28.242 5.523 7.185 1.00 0.00 H ATOM 405 HH21 ARG A 57 28.856 7.176 6.814 1.00 0.00 H ATOM 406 H ARG A 57 27.048 11.971 2.633 1.00 0.00 H ATOM 407 N VAL A 58 23.408 11.161 1.856 1.00 22.29 N ATOM 408 CA VAL A 58 22.238 12.064 1.718 1.00 20.49 C ATOM 409 C VAL A 58 21.100 11.363 2.468 1.00 21.22 C ATOM 410 O VAL A 58 20.902 10.194 2.252 1.00 22.27 O ATOM 411 CB VAL A 58 21.911 12.319 0.304 1.00 20.42 C ATOM 412 CG1 VAL A 58 20.638 13.100 0.211 1.00 21.77 C ATOM 413 CG2 VAL A 58 23.051 13.178 -0.348 1.00 21.96 C ATOM 414 H VAL A 58 23.473 10.335 1.227 1.00 0.00 H ATOM 415 N TRP A 59 20.448 12.087 3.388 1.00 20.26 N ATOM 416 CA TRP A 59 19.203 11.614 3.977 1.00 21.47 C ATOM 417 C TRP A 59 18.096 12.393 3.301 1.00 21.70 C ATOM 418 O TRP A 59 18.126 13.621 3.250 1.00 20.06 O ATOM 419 CB TRP A 59 19.225 11.813 5.483 1.00 22.65 C ATOM 420 CG TRP A 59 19.998 10.661 6.173 1.00 26.71 C ATOM 421 CD1 TRP A 59 20.854 9.743 5.555 1.00 30.92 C ATOM 422 CD2 TRP A 59 19.959 10.264 7.551 1.00 29.08 C ATOM 423 NE1 TRP A 59 21.395 8.868 6.498 1.00 33.35 N ATOM 424 CE2 TRP A 59 20.772 9.110 7.695 1.00 32.10 C ATOM 425 CE3 TRP A 59 19.228 10.690 8.629 1.00 31.90 C ATOM 426 CZ2 TRP A 59 20.972 8.462 8.944 1.00 33.78 C ATOM 427 CZ3 TRP A 59 19.395 10.074 9.836 1.00 36.41 C ATOM 428 CH2 TRP A 59 20.295 8.970 10.005 1.00 36.53 C ATOM 429 HE1 TRP A 59 22.137 8.160 6.324 1.00 0.00 H ATOM 430 H TRP A 59 20.838 13.004 3.687 1.00 0.00 H ATOM 431 N CYS A 60 17.075 11.706 2.868 1.00 20.06 N ATOM 432 CA CYS A 60 15.884 12.314 2.311 1.00 21.13 C ATOM 433 C CYS A 60 14.839 12.642 3.341 1.00 20.56 C ATOM 434 O CYS A 60 14.510 11.796 4.178 1.00 22.01 O ATOM 435 CB CYS A 60 15.311 11.450 1.236 1.00 21.37 C ATOM 436 SG CYS A 60 16.510 11.008 -0.054 1.00 25.83 S ATOM 437 H CYS A 60 17.118 10.669 2.926 1.00 0.00 H ATOM 438 N PHE A 61 14.312 13.869 3.256 1.00 20.63 N ATOM 439 CA PHE A 61 13.320 14.386 4.206 1.00 20.05 C ATOM 440 C PHE A 61 12.151 14.949 3.375 1.00 20.44 C ATOM 441 O PHE A 61 12.335 15.498 2.235 1.00 19.61 O ATOM 442 CB PHE A 61 13.906 15.489 4.990 1.00 20.83 C ATOM 443 CG PHE A 61 14.880 15.049 5.999 1.00 20.85 C ATOM 444 CD1 PHE A 61 14.501 14.722 7.317 1.00 20.45 C ATOM 445 CD2 PHE A 61 16.252 15.055 5.697 1.00 21.28 C ATOM 446 CE1 PHE A 61 15.419 14.379 8.249 1.00 21.26 C ATOM 447 CE2 PHE A 61 17.196 14.647 6.657 1.00 20.71 C ATOM 448 CZ PHE A 61 16.809 14.422 7.980 1.00 20.88 C ATOM 449 H PHE A 61 14.621 14.487 2.478 1.00 0.00 H ATOM 450 N SER A 62 10.896 14.693 3.829 1.00 20.25 N ATOM 451 CA SER A 62 9.831 15.258 3.068 1.00 20.46 C ATOM 452 C SER A 62 9.763 16.770 3.232 1.00 19.41 C ATOM 453 O SER A 62 9.125 17.450 2.399 1.00 20.89 O ATOM 454 CB SER A 62 8.503 14.582 3.432 1.00 21.21 C ATOM 455 OG SER A 62 8.502 13.177 3.125 1.00 21.24 O ATOM 456 HG SER A 62 9.224 12.729 3.633 1.00 0.00 H ATOM 457 H SER A 62 10.723 14.120 4.680 1.00 0.00 H ATOM 458 N LEU A 63 10.246 17.265 4.347 1.00 20.23 N ATOM 459 CA LEU A 63 10.150 18.659 4.707 1.00 21.42 C ATOM 460 C LEU A 63 11.385 19.046 5.425 1.00 19.78 C ATOM 461 O LEU A 63 12.024 18.240 6.123 1.00 21.06 O ATOM 462 CB LEU A 63 8.979 18.767 5.700 1.00 26.96 C ATOM 463 CG LEU A 63 8.423 20.039 6.177 1.00 32.02 C ATOM 464 CD1 LEU A 63 8.008 20.914 5.057 1.00 34.24 C ATOM 465 CD2 LEU A 63 7.187 19.571 7.044 1.00 33.34 C ATOM 466 H LEU A 63 10.724 16.618 5.007 1.00 0.00 H ATOM 467 N ALA A 64 11.662 20.326 5.377 1.00 21.50 N ATOM 468 CA ALA A 64 12.740 21.011 6.085 1.00 22.71 C ATOM 469 C ALA A 64 12.423 22.425 6.183 1.00 22.10 C ATOM 470 O ALA A 64 11.593 22.903 5.437 1.00 25.36 O ATOM 471 CB ALA A 64 14.082 20.843 5.356 1.00 23.94 C ATOM 472 H ALA A 64 11.052 20.914 4.773 1.00 0.00 H ATOM 473 N GLN A 65 13.130 23.153 7.041 1.00 20.97 N ATOM 474 CA GLN A 65 12.947 24.540 7.251 1.00 22.27 C ATOM 475 C GLN A 65 14.324 25.141 7.547 1.00 20.75 C ATOM 476 O GLN A 65 15.289 24.412 7.656 1.00 21.23 O ATOM 477 CB GLN A 65 12.077 24.793 8.488 1.00 25.98 C ATOM 478 CG GLN A 65 12.629 24.234 9.778 1.00 28.92 C ATOM 479 CD GLN A 65 11.685 24.241 11.017 1.00 34.05 C ATOM 480 OE1 GLN A 65 11.062 23.257 11.338 1.00 41.34 O ATOM 481 NE2 GLN A 65 11.789 25.233 11.788 1.00 39.41 N ATOM 482 HE22 GLN A 65 12.331 26.069 11.489 1.00 0.00 H ATOM 483 HE21 GLN A 65 11.333 25.215 12.723 1.00 0.00 H ATOM 484 H GLN A 65 13.867 22.671 7.595 1.00 0.00 H ATOM 485 N GLY A 66 14.380 26.425 7.628 1.00 19.37 N ATOM 486 CA GLY A 66 15.548 27.215 7.996 1.00 20.89 C ATOM 487 C GLY A 66 16.665 27.229 6.975 1.00 22.09 C ATOM 488 O GLY A 66 17.848 27.544 7.303 1.00 23.76 O ATOM 489 H GLY A 66 13.508 26.948 7.410 1.00 0.00 H ATOM 490 N LEU A 67 16.352 26.827 5.769 1.00 23.64 N ATOM 491 CA LEU A 67 17.296 26.822 4.667 1.00 23.35 C ATOM 492 C LEU A 67 17.040 28.020 3.783 1.00 24.87 C ATOM 493 O LEU A 67 16.107 28.737 3.992 1.00 24.90 O ATOM 494 CB LEU A 67 17.158 25.546 3.812 1.00 22.22 C ATOM 495 CG LEU A 67 17.308 24.209 4.515 1.00 21.93 C ATOM 496 CD1 LEU A 67 16.651 23.052 3.783 1.00 21.47 C ATOM 497 CD2 LEU A 67 18.771 23.907 4.777 1.00 20.61 C ATOM 498 H LEU A 67 15.382 26.496 5.593 1.00 0.00 H ATOM 499 N ARG A 68 17.913 28.218 2.821 1.00 22.53 N ATOM 500 CA ARG A 68 17.806 29.230 1.809 1.00 25.26 C ATOM 501 C ARG A 68 18.160 28.493 0.532 1.00 26.81 C ATOM 502 O ARG A 68 19.223 27.981 0.418 1.00 23.22 O ATOM 503 CB ARG A 68 18.765 30.418 2.036 1.00 29.03 C ATOM 504 CG ARG A 68 18.823 31.444 0.902 1.00 38.41 C ATOM 505 CD ARG A 68 19.646 32.723 1.200 1.00 39.56 C ATOM 506 NE ARG A 68 20.448 32.435 2.352 1.00 43.45 N ATOM 507 CZ ARG A 68 21.757 32.332 2.371 1.00 47.78 C ATOM 508 NH1 ARG A 68 22.351 31.976 3.504 1.00 46.69 N ATOM 509 NH2 ARG A 68 22.462 32.621 1.294 1.00 51.70 N ATOM 510 HE ARG A 68 19.949 32.295 3.254 1.00 0.00 H ATOM 511 HH12 ARG A 68 23.387 31.888 3.543 1.00 0.00 H ATOM 512 HH11 ARG A 68 21.781 31.785 4.352 1.00 0.00 H ATOM 513 HH22 ARG A 68 23.499 32.538 1.313 1.00 0.00 H ATOM 514 HH21 ARG A 68 21.981 32.932 0.426 1.00 0.00 H ATOM 515 H ARG A 68 18.744 27.594 2.791 1.00 0.00 H ATOM 516 N LEU A 69 17.208 28.432 -0.391 1.00 25.87 N ATOM 517 CA LEU A 69 17.349 27.760 -1.681 1.00 29.13 C ATOM 518 C LEU A 69 17.921 28.755 -2.654 1.00 31.58 C ATOM 519 O LEU A 69 17.382 29.817 -2.805 1.00 34.66 O ATOM 520 CB LEU A 69 16.021 27.226 -2.141 1.00 28.60 C ATOM 521 CG LEU A 69 15.363 26.382 -1.083 1.00 31.97 C ATOM 522 CD1 LEU A 69 14.093 25.796 -1.618 1.00 33.49 C ATOM 523 CD2 LEU A 69 16.256 25.299 -0.527 1.00 29.47 C ATOM 524 H LEU A 69 16.300 28.894 -0.182 1.00 0.00 H ATOM 525 N ILE A 70 19.003 28.381 -3.299 1.00 29.70 N ATOM 526 CA ILE A 70 19.776 29.269 -4.074 1.00 33.38 C ATOM 527 C ILE A 70 19.705 28.975 -5.572 1.00 36.82 C ATOM 528 O ILE A 70 19.853 27.843 -5.996 1.00 33.00 O ATOM 529 CB ILE A 70 21.265 29.029 -3.831 1.00 38.02 C ATOM 530 CG1 ILE A 70 21.606 29.187 -2.394 1.00 40.47 C ATOM 531 CG2 ILE A 70 22.089 30.036 -4.622 1.00 40.36 C ATOM 532 CD1 ILE A 70 21.205 30.566 -1.860 1.00 40.43 C ATOM 533 H ILE A 70 19.302 27.387 -3.235 1.00 0.00 H ATOM 534 N GLY A 71 19.404 30.022 -6.331 1.00 35.91 N ATOM 535 CA GLY A 71 19.195 29.881 -7.803 1.00 38.67 C ATOM 536 C GLY A 71 17.922 29.198 -8.240 1.00 36.96 C ATOM 537 O GLY A 71 16.929 29.142 -7.476 1.00 38.37 O ATOM 538 H GLY A 71 19.312 30.960 -5.891 1.00 0.00 H ATOM 539 N ALA A 72 17.959 28.718 -9.479 1.00 36.60 N ATOM 540 CA ALA A 72 16.866 28.134 -10.203 1.00 35.14 C ATOM 541 C ALA A 72 17.194 26.596 -10.349 1.00 32.51 C ATOM 542 O ALA A 72 18.377 26.190 -10.350 1.00 34.08 O ATOM 543 CB ALA A 72 16.821 28.793 -11.548 1.00 38.14 C ATOM 544 H ALA A 72 18.872 28.771 -9.974 1.00 0.00 H ATOM 545 N PRO A 73 16.186 25.774 -10.490 1.00 29.62 N ATOM 546 CA PRO A 73 16.469 24.347 -10.493 1.00 27.13 C ATOM 547 C PRO A 73 17.223 23.889 -11.659 1.00 27.52 C ATOM 548 O PRO A 73 17.116 24.472 -12.737 1.00 30.76 O ATOM 549 CB PRO A 73 15.054 23.687 -10.445 1.00 27.15 C ATOM 550 CG PRO A 73 14.210 24.794 -9.855 1.00 27.25 C ATOM 551 CD PRO A 73 14.728 26.030 -10.367 1.00 29.10 C ATOM 552 N SER A 74 17.965 22.801 -11.536 1.00 24.89 N ATOM 553 CA SER A 74 18.699 22.175 -12.658 1.00 24.48 C ATOM 554 C SER A 74 18.411 20.653 -12.594 1.00 23.36 C ATOM 555 O SER A 74 18.420 20.117 -11.489 1.00 22.14 O ATOM 556 CB SER A 74 20.213 22.369 -12.477 1.00 25.99 C ATOM 557 OG SER A 74 20.857 21.697 -13.599 1.00 27.41 O ATOM 558 HG SER A 74 21.839 21.797 -13.523 1.00 0.00 H ATOM 559 H SER A 74 18.037 22.360 -10.597 1.00 0.00 H ATOM 560 N GLY A 75 18.229 19.990 -13.682 1.00 24.28 N ATOM 561 CA GLY A 75 18.194 18.539 -13.755 1.00 25.43 C ATOM 562 C GLY A 75 19.546 17.829 -13.987 1.00 27.68 C ATOM 563 O GLY A 75 19.644 16.646 -13.861 1.00 26.29 O ATOM 564 H GLY A 75 18.099 20.526 -14.564 1.00 0.00 H ATOM 565 N GLU A 76 20.586 18.617 -14.251 1.00 28.49 N ATOM 566 CA GLU A 76 21.899 18.049 -14.618 1.00 32.80 C ATOM 567 C GLU A 76 22.470 17.258 -13.410 1.00 28.92 C ATOM 568 O GLU A 76 22.500 17.703 -12.308 1.00 27.47 O ATOM 569 CB GLU A 76 22.904 19.156 -14.963 1.00 36.38 C ATOM 570 CG GLU A 76 22.561 20.043 -16.107 1.00 41.90 C ATOM 571 CD GLU A 76 23.832 20.819 -16.585 1.00 47.43 C ATOM 572 OE1 GLU A 76 24.364 20.562 -17.678 1.00 56.30 O ATOM 573 OE2 GLU A 76 24.368 21.603 -15.784 1.00 50.04 O ATOM 574 H GLU A 76 20.472 19.649 -14.198 1.00 0.00 H ATOM 575 N PHE A 77 22.843 16.032 -13.723 1.00 30.30 N ATOM 576 CA PHE A 77 23.477 15.100 -12.782 1.00 29.37 C ATOM 577 C PHE A 77 22.591 14.734 -11.639 1.00 26.90 C ATOM 578 O PHE A 77 23.073 14.254 -10.646 1.00 25.38 O ATOM 579 CB PHE A 77 24.772 15.667 -12.213 1.00 30.05 C ATOM 580 CG PHE A 77 25.745 16.160 -13.231 1.00 33.33 C ATOM 581 CD1 PHE A 77 26.273 15.339 -14.124 1.00 36.30 C ATOM 582 CD2 PHE A 77 26.038 17.527 -13.290 1.00 34.39 C ATOM 583 CE1 PHE A 77 27.230 15.754 -15.053 1.00 39.33 C ATOM 584 CE2 PHE A 77 26.941 18.005 -14.242 1.00 37.17 C ATOM 585 CZ PHE A 77 27.576 17.108 -15.071 1.00 39.22 C ATOM 586 H PHE A 77 22.678 15.705 -14.696 1.00 0.00 H ATOM 587 N SER A 78 21.260 14.955 -11.666 1.00 25.04 N ATOM 588 CA SER A 78 20.452 14.644 -10.602 1.00 23.19 C ATOM 589 C SER A 78 20.577 13.180 -10.161 1.00 23.17 C ATOM 590 O SER A 78 20.434 12.319 -11.002 1.00 23.67 O ATOM 591 CB SER A 78 18.948 14.914 -10.898 1.00 23.08 C ATOM 592 OG SER A 78 18.211 14.623 -9.747 1.00 22.03 O ATOM 593 HG SER A 78 17.251 14.790 -9.920 1.00 0.00 H ATOM 594 H SER A 78 20.835 15.373 -12.518 1.00 0.00 H ATOM 595 N TRP A 79 20.679 13.019 -8.859 1.00 23.30 N ATOM 596 CA TRP A 79 20.731 11.711 -8.230 1.00 23.46 C ATOM 597 C TRP A 79 19.380 11.045 -8.152 1.00 25.37 C ATOM 598 O TRP A 79 19.346 9.848 -7.847 1.00 26.67 O ATOM 599 CB TRP A 79 21.338 11.777 -6.865 1.00 23.17 C ATOM 600 CG TRP A 79 22.787 12.252 -6.869 1.00 22.54 C ATOM 601 CD1 TRP A 79 23.752 11.793 -7.640 1.00 25.70 C ATOM 602 CD2 TRP A 79 23.341 13.260 -6.023 1.00 22.13 C ATOM 603 NE1 TRP A 79 24.961 12.495 -7.329 1.00 23.96 N ATOM 604 CE2 TRP A 79 24.714 13.344 -6.313 1.00 22.55 C ATOM 605 CE3 TRP A 79 22.840 14.057 -5.052 1.00 19.85 C ATOM 606 CZ2 TRP A 79 25.530 14.208 -5.680 1.00 22.45 C ATOM 607 CZ3 TRP A 79 23.654 15.004 -4.455 1.00 20.64 C ATOM 608 CH2 TRP A 79 24.986 15.037 -4.745 1.00 21.66 C ATOM 609 HE1 TRP A 79 25.876 12.370 -7.807 1.00 0.00 H ATOM 610 H TRP A 79 20.724 13.864 -8.255 1.00 0.00 H ATOM 611 N PHE A 80 18.301 11.747 -8.430 1.00 23.21 N ATOM 612 CA PHE A 80 16.931 11.196 -8.225 1.00 23.97 C ATOM 613 C PHE A 80 16.206 11.445 -9.492 1.00 26.31 C ATOM 614 O PHE A 80 16.012 12.615 -9.912 1.00 22.93 O ATOM 615 CB PHE A 80 16.259 11.844 -6.994 1.00 22.99 C ATOM 616 CG PHE A 80 17.007 11.661 -5.722 1.00 22.95 C ATOM 617 CD1 PHE A 80 16.846 10.460 -5.000 1.00 25.50 C ATOM 618 CD2 PHE A 80 17.877 12.554 -5.269 1.00 22.81 C ATOM 619 CE1 PHE A 80 17.449 10.274 -3.806 1.00 23.87 C ATOM 620 CE2 PHE A 80 18.529 12.357 -4.048 1.00 23.31 C ATOM 621 CZ PHE A 80 18.324 11.192 -3.314 1.00 23.04 C ATOM 622 H PHE A 80 18.408 12.712 -8.803 1.00 0.00 H ATOM 623 N LYS A 81 15.861 10.335 -10.174 1.00 27.14 N ATOM 624 CA LYS A 81 15.325 10.428 -11.508 1.00 28.73 C ATOM 625 C LYS A 81 14.059 11.250 -11.533 1.00 25.73 C ATOM 626 O LYS A 81 13.231 11.049 -10.695 1.00 23.88 O ATOM 627 CB LYS A 81 15.049 8.972 -12.005 1.00 33.42 C ATOM 628 CG LYS A 81 14.384 8.874 -13.374 1.00 41.66 C ATOM 629 CD LYS A 81 14.640 7.456 -13.914 1.00 45.82 C ATOM 630 CE LYS A 81 13.831 7.259 -15.171 1.00 52.34 C ATOM 631 NZ LYS A 81 14.391 8.106 -16.297 1.00 58.12 N ATOM 632 HZ1 LYS A 81 14.357 9.109 -16.025 1.00 0.00 H ATOM 633 HZ2 LYS A 81 15.376 7.829 -16.480 1.00 0.00 H ATOM 634 HZ3 LYS A 81 13.823 7.959 -17.155 1.00 0.00 H ATOM 635 H LYS A 81 15.983 9.401 -9.733 1.00 0.00 H ATOM 636 N GLY A 82 13.944 12.180 -12.450 1.00 25.06 N ATOM 637 CA GLY A 82 12.736 13.018 -12.543 1.00 24.79 C ATOM 638 C GLY A 82 12.720 14.263 -11.744 1.00 23.72 C ATOM 639 O GLY A 82 11.767 15.074 -11.878 1.00 23.61 O ATOM 640 H GLY A 82 14.721 12.329 -13.125 1.00 0.00 H ATOM 641 N TYR A 83 13.752 14.511 -10.924 1.00 22.36 N ATOM 642 CA TYR A 83 13.775 15.656 -10.079 1.00 21.20 C ATOM 643 C TYR A 83 14.875 16.585 -10.483 1.00 21.85 C ATOM 644 O TYR A 83 15.976 16.118 -10.901 1.00 23.22 O ATOM 645 CB TYR A 83 14.024 15.250 -8.650 1.00 20.78 C ATOM 646 CG TYR A 83 12.946 14.467 -8.023 1.00 20.25 C ATOM 647 CD1 TYR A 83 11.912 15.057 -7.374 1.00 21.08 C ATOM 648 CD2 TYR A 83 13.002 13.084 -8.045 1.00 21.75 C ATOM 649 CE1 TYR A 83 10.858 14.280 -6.819 1.00 20.30 C ATOM 650 CE2 TYR A 83 11.987 12.276 -7.439 1.00 20.83 C ATOM 651 CZ TYR A 83 10.929 12.933 -6.829 1.00 20.92 C ATOM 652 OH TYR A 83 9.978 12.142 -6.279 1.00 22.92 O ATOM 653 HH TYR A 83 9.274 12.708 -5.873 1.00 0.00 H ATOM 654 H TYR A 83 14.555 13.850 -10.905 1.00 0.00 H ATOM 655 N ASP A 84 14.606 17.858 -10.346 1.00 20.85 N ATOM 656 CA ASP A 84 15.578 18.917 -10.565 1.00 21.95 C ATOM 657 C ASP A 84 15.927 19.464 -9.176 1.00 21.77 C ATOM 658 O ASP A 84 15.128 19.435 -8.258 1.00 21.55 O ATOM 659 CB ASP A 84 14.891 19.999 -11.378 1.00 25.22 C ATOM 660 CG ASP A 84 14.221 19.362 -12.605 1.00 28.42 C ATOM 661 OD1 ASP A 84 14.943 18.630 -13.314 1.00 30.48 O ATOM 662 OD2 ASP A 84 12.982 19.447 -12.806 1.00 31.38 O ATOM 663 H ASP A 84 13.642 18.128 -10.064 1.00 0.00 H ATOM 664 N TRP A 85 17.130 19.975 -9.051 1.00 20.40 N ATOM 665 CA TRP A 85 17.662 20.343 -7.756 1.00 21.17 C ATOM 666 C TRP A 85 18.036 21.788 -7.677 1.00 20.73 C ATOM 667 O TRP A 85 18.469 22.413 -8.712 1.00 23.01 O ATOM 668 CB TRP A 85 18.898 19.517 -7.370 1.00 21.86 C ATOM 669 CG TRP A 85 19.944 19.445 -8.361 1.00 21.76 C ATOM 670 CD1 TRP A 85 20.121 18.493 -9.303 1.00 22.72 C ATOM 671 CD2 TRP A 85 21.035 20.391 -8.558 1.00 23.59 C ATOM 672 NE1 TRP A 85 21.138 18.825 -10.117 1.00 24.69 N ATOM 673 CE2 TRP A 85 21.737 19.983 -9.686 1.00 24.02 C ATOM 674 CE3 TRP A 85 21.409 21.609 -7.927 1.00 23.91 C ATOM 675 CZ2 TRP A 85 22.803 20.671 -10.179 1.00 26.33 C ATOM 676 CZ3 TRP A 85 22.512 22.272 -8.417 1.00 26.14 C ATOM 677 CH2 TRP A 85 23.189 21.810 -9.511 1.00 25.91 C ATOM 678 HE1 TRP A 85 21.430 18.282 -10.954 1.00 0.00 H ATOM 679 H TRP A 85 17.713 20.118 -9.900 1.00 0.00 H ATOM 680 N THR A 86 17.947 22.328 -6.428 1.00 21.50 N ATOM 681 CA THR A 86 18.522 23.613 -6.061 1.00 22.53 C ATOM 682 C THR A 86 19.391 23.418 -4.834 1.00 21.56 C ATOM 683 O THR A 86 19.050 22.654 -3.956 1.00 20.28 O ATOM 684 CB THR A 86 17.324 24.544 -5.755 1.00 23.16 C ATOM 685 OG1 THR A 86 16.410 24.435 -6.884 1.00 25.42 O ATOM 686 CG2 THR A 86 17.714 25.838 -5.647 1.00 23.86 C ATOM 687 HG1 THR A 86 16.112 23.495 -6.976 1.00 0.00 H ATOM 688 H THR A 86 17.439 21.791 -5.696 1.00 0.00 H ATOM 689 N ILE A 87 20.514 24.136 -4.759 1.00 22.09 N ATOM 690 CA ILE A 87 21.359 24.066 -3.590 1.00 21.23 C ATOM 691 C ILE A 87 20.620 24.650 -2.388 1.00 21.03 C ATOM 692 O ILE A 87 19.898 25.698 -2.522 1.00 23.28 O ATOM 693 CB ILE A 87 22.608 24.907 -3.872 1.00 24.18 C ATOM 694 CG1 ILE A 87 23.476 24.049 -4.848 1.00 26.31 C ATOM 695 CG2 ILE A 87 23.443 25.145 -2.562 1.00 24.81 C ATOM 696 CD1 ILE A 87 24.640 24.842 -5.372 1.00 30.24 C ATOM 697 H ILE A 87 20.783 24.753 -5.552 1.00 0.00 H ATOM 698 N ALA A 88 20.716 23.988 -1.251 1.00 19.86 N ATOM 699 CA ALA A 88 20.068 24.408 -0.024 1.00 20.22 C ATOM 700 C ALA A 88 21.192 24.763 0.938 1.00 19.67 C ATOM 701 O ALA A 88 21.986 23.886 1.372 1.00 19.68 O ATOM 702 CB ALA A 88 19.218 23.290 0.513 1.00 19.13 C ATOM 703 H ALA A 88 21.287 23.119 -1.234 1.00 0.00 H ATOM 704 N LEU A 89 21.268 26.034 1.305 1.00 20.94 N ATOM 705 CA LEU A 89 22.173 26.498 2.361 1.00 19.53 C ATOM 706 C LEU A 89 21.397 26.671 3.665 1.00 19.72 C ATOM 707 O LEU A 89 20.164 26.884 3.694 1.00 18.40 O ATOM 708 CB LEU A 89 22.755 27.845 2.014 1.00 20.84 C ATOM 709 CG LEU A 89 23.523 27.918 0.695 1.00 22.82 C ATOM 710 CD1 LEU A 89 24.180 29.284 0.426 1.00 25.52 C ATOM 711 CD2 LEU A 89 24.498 26.747 0.469 1.00 21.95 C ATOM 712 H LEU A 89 20.662 26.730 0.825 1.00 0.00 H ATOM 713 N CYS A 90 22.140 26.503 4.743 1.00 19.22 N ATOM 714 CA CYS A 90 21.652 26.955 6.063 1.00 19.99 C ATOM 715 C CYS A 90 21.285 28.416 5.917 1.00 20.84 C ATOM 716 O CYS A 90 22.077 29.228 5.518 1.00 21.06 O ATOM 717 CB CYS A 90 22.659 26.726 7.150 1.00 21.68 C ATOM 718 SG CYS A 90 21.994 27.389 8.771 1.00 20.34 S ATOM 719 H CYS A 90 23.073 26.051 4.663 1.00 0.00 H ATOM 720 N GLY A 91 20.001 28.762 6.232 1.00 19.68 N ATOM 721 CA GLY A 91 19.550 30.122 6.130 1.00 20.99 C ATOM 722 C GLY A 91 20.206 31.062 7.116 1.00 21.54 C ATOM 723 O GLY A 91 20.142 32.215 6.925 1.00 23.79 O ATOM 724 H GLY A 91 19.338 28.027 6.551 1.00 0.00 H ATOM 725 N GLN A 92 20.776 30.541 8.177 1.00 21.30 N ATOM 726 CA GLN A 92 21.301 31.311 9.249 1.00 20.92 C ATOM 727 C GLN A 92 22.799 31.551 8.917 1.00 21.64 C ATOM 728 O GLN A 92 23.205 32.693 8.777 1.00 21.91 O ATOM 729 CB GLN A 92 21.105 30.646 10.587 1.00 22.03 C ATOM 730 CG GLN A 92 21.724 31.451 11.732 1.00 22.93 C ATOM 731 CD GLN A 92 21.042 31.021 13.022 1.00 25.13 C ATOM 732 OE1 GLN A 92 20.084 31.693 13.439 1.00 26.17 O ATOM 733 NE2 GLN A 92 21.476 29.890 13.591 1.00 22.60 N ATOM 734 HE22 GLN A 92 22.286 29.381 13.184 1.00 0.00 H ATOM 735 HE21 GLN A 92 21.003 29.520 14.440 1.00 0.00 H ATOM 736 H GLN A 92 20.847 29.505 8.236 1.00 0.00 H ATOM 737 N CYS A 93 23.570 30.470 8.720 1.00 21.16 N ATOM 738 CA CYS A 93 24.974 30.609 8.596 1.00 21.88 C ATOM 739 C CYS A 93 25.606 30.453 7.191 1.00 21.74 C ATOM 740 O CYS A 93 26.826 30.659 7.038 1.00 21.36 O ATOM 741 CB CYS A 93 25.771 29.718 9.545 1.00 20.82 C ATOM 742 SG CYS A 93 25.830 27.952 9.084 1.00 21.22 S ATOM 743 H CYS A 93 23.135 29.527 8.658 1.00 0.00 H ATOM 744 N GLY A 94 24.777 29.980 6.245 1.00 23.53 N ATOM 745 CA GLY A 94 25.244 29.757 4.881 1.00 22.32 C ATOM 746 C GLY A 94 25.926 28.396 4.599 1.00 20.80 C ATOM 747 O GLY A 94 26.359 28.136 3.462 1.00 20.57 O ATOM 748 H GLY A 94 23.788 29.770 6.489 1.00 0.00 H ATOM 749 N SER A 95 26.093 27.544 5.583 1.00 20.92 N ATOM 750 CA SER A 95 26.620 26.163 5.419 1.00 21.69 C ATOM 751 C SER A 95 25.853 25.383 4.364 1.00 19.76 C ATOM 752 O SER A 95 24.618 25.481 4.310 1.00 18.15 O ATOM 753 CB SER A 95 26.641 25.413 6.716 1.00 22.15 C ATOM 754 OG SER A 95 27.017 24.062 6.609 1.00 24.74 O ATOM 755 HG SER A 95 27.930 24.004 6.230 1.00 0.00 H ATOM 756 H SER A 95 25.840 27.856 6.542 1.00 0.00 H ATOM 757 N HIS A 96 26.580 24.691 3.444 1.00 20.33 N ATOM 758 CA HIS A 96 25.869 23.916 2.444 1.00 20.37 C ATOM 759 C HIS A 96 25.329 22.644 3.064 1.00 20.23 C ATOM 760 O HIS A 96 26.098 21.760 3.392 1.00 20.87 O ATOM 761 CB HIS A 96 26.761 23.647 1.217 1.00 22.33 C ATOM 762 CG HIS A 96 26.092 22.777 0.224 1.00 21.50 C ATOM 763 ND1 HIS A 96 26.806 21.952 -0.638 1.00 24.91 N ATOM 764 CD2 HIS A 96 24.785 22.626 -0.075 1.00 21.87 C ATOM 765 CE1 HIS A 96 25.929 21.335 -1.425 1.00 23.44 C ATOM 766 NE2 HIS A 96 24.706 21.693 -1.085 1.00 21.33 N ATOM 767 H HIS A 96 27.620 24.717 3.458 1.00 0.00 H ATOM 768 N LEU A 97 24.007 22.554 3.237 1.00 18.12 N ATOM 769 CA LEU A 97 23.353 21.445 3.892 1.00 18.23 C ATOM 770 C LEU A 97 22.818 20.392 3.017 1.00 18.50 C ATOM 771 O LEU A 97 22.605 19.253 3.468 1.00 19.49 O ATOM 772 CB LEU A 97 22.309 21.906 4.899 1.00 19.26 C ATOM 773 CG LEU A 97 22.838 22.807 6.079 1.00 19.85 C ATOM 774 CD1 LEU A 97 21.707 23.129 7.040 1.00 19.84 C ATOM 775 CD2 LEU A 97 23.991 22.122 6.792 1.00 21.20 C ATOM 776 H LEU A 97 23.413 23.329 2.879 1.00 0.00 H ATOM 777 N GLY A 98 22.545 20.687 1.767 1.00 18.94 N ATOM 778 CA GLY A 98 22.085 19.705 0.803 1.00 19.39 C ATOM 779 C GLY A 98 21.372 20.382 -0.349 1.00 18.33 C ATOM 780 O GLY A 98 21.845 21.360 -0.865 1.00 18.44 O ATOM 781 H GLY A 98 22.664 21.671 1.453 1.00 0.00 H ATOM 782 N TRP A 99 20.270 19.804 -0.770 1.00 17.46 N ATOM 783 CA TRP A 99 19.580 20.231 -2.014 1.00 17.43 C ATOM 784 C TRP A 99 18.071 20.085 -1.796 1.00 18.39 C ATOM 785 O TRP A 99 17.638 19.193 -1.060 1.00 17.10 O ATOM 786 CB TRP A 99 19.986 19.452 -3.247 1.00 18.62 C ATOM 787 CG TRP A 99 21.504 19.443 -3.495 1.00 18.69 C ATOM 788 CD1 TRP A 99 22.156 20.277 -4.301 1.00 20.80 C ATOM 789 CD2 TRP A 99 22.504 18.646 -2.835 1.00 19.54 C ATOM 790 NE1 TRP A 99 23.554 20.043 -4.208 1.00 21.51 N ATOM 791 CE2 TRP A 99 23.741 19.028 -3.326 1.00 21.57 C ATOM 792 CE3 TRP A 99 22.465 17.599 -1.893 1.00 19.22 C ATOM 793 CZ2 TRP A 99 24.923 18.390 -2.938 1.00 22.62 C ATOM 794 CZ3 TRP A 99 23.699 16.987 -1.491 1.00 20.88 C ATOM 795 CH2 TRP A 99 24.861 17.442 -1.947 1.00 20.64 C ATOM 796 HE1 TRP A 99 24.299 20.556 -4.722 1.00 0.00 H ATOM 797 H TRP A 99 19.868 19.022 -0.214 1.00 0.00 H ATOM 798 N HIS A 100 17.338 20.956 -2.489 1.00 17.61 N ATOM 799 CA HIS A 100 15.910 20.765 -2.551 1.00 17.78 C ATOM 800 C HIS A 100 15.623 20.241 -3.949 1.00 17.81 C ATOM 801 O HIS A 100 16.123 20.774 -4.939 1.00 20.29 O ATOM 802 CB HIS A 100 15.125 22.104 -2.349 1.00 19.25 C ATOM 803 CG HIS A 100 13.647 21.961 -2.401 1.00 20.72 C ATOM 804 ND1 HIS A 100 12.882 21.253 -1.492 1.00 24.31 N ATOM 805 CD2 HIS A 100 12.788 22.551 -3.243 1.00 22.74 C ATOM 806 CE1 HIS A 100 11.589 21.413 -1.812 1.00 20.69 C ATOM 807 NE2 HIS A 100 11.520 22.174 -2.870 1.00 23.98 N ATOM 808 H HIS A 100 17.787 21.758 -2.976 1.00 0.00 H ATOM 809 N TYR A 101 14.760 19.241 -3.989 1.00 18.35 N ATOM 810 CA TYR A 101 14.405 18.567 -5.224 1.00 17.50 C ATOM 811 C TYR A 101 12.934 18.862 -5.547 1.00 19.36 C ATOM 812 O TYR A 101 12.121 18.897 -4.639 1.00 18.58 O ATOM 813 CB TYR A 101 14.586 17.052 -5.059 1.00 16.13 C ATOM 814 CG TYR A 101 16.079 16.669 -5.054 1.00 16.46 C ATOM 815 CD1 TYR A 101 16.729 16.530 -6.240 1.00 18.32 C ATOM 816 CD2 TYR A 101 16.741 16.565 -3.818 1.00 16.72 C ATOM 817 CE1 TYR A 101 18.106 16.096 -6.287 1.00 18.94 C ATOM 818 CE2 TYR A 101 18.092 16.218 -3.800 1.00 16.97 C ATOM 819 CZ TYR A 101 18.746 16.014 -5.021 1.00 18.74 C ATOM 820 OH TYR A 101 20.102 15.669 -4.928 1.00 20.91 O ATOM 821 HH TYR A 101 20.473 15.547 -5.838 1.00 0.00 H ATOM 822 H TYR A 101 14.319 18.925 -3.102 1.00 0.00 H ATOM 823 N GLU A 102 12.661 19.112 -6.821 1.00 20.99 N ATOM 824 CA GLU A 102 11.319 19.488 -7.268 1.00 22.22 C ATOM 825 C GLU A 102 11.119 18.951 -8.652 1.00 22.31 C ATOM 826 O GLU A 102 12.058 18.409 -9.281 1.00 24.04 O ATOM 827 CB GLU A 102 11.079 21.000 -7.220 1.00 26.32 C ATOM 828 CG GLU A 102 11.985 21.861 -8.147 1.00 34.14 C ATOM 829 CD GLU A 102 11.800 23.371 -7.750 1.00 43.25 C ATOM 830 OE1 GLU A 102 10.759 23.966 -8.125 1.00 47.48 O ATOM 831 OE2 GLU A 102 12.622 23.916 -6.970 1.00 47.87 O ATOM 832 H GLU A 102 13.424 19.039 -7.524 1.00 0.00 H ATOM 833 N GLY A 103 9.882 19.063 -9.183 1.00 19.73 N ATOM 834 CA GLY A 103 9.615 18.698 -10.535 1.00 20.79 C ATOM 835 C GLY A 103 9.387 17.241 -10.861 1.00 20.63 C ATOM 836 O GLY A 103 9.231 16.909 -12.001 1.00 21.43 O ATOM 837 H GLY A 103 9.106 19.424 -8.592 1.00 0.00 H ATOM 838 N GLY A 104 9.243 16.438 -9.825 1.00 18.94 N ATOM 839 CA GLY A 104 9.161 14.999 -10.050 1.00 20.00 C ATOM 840 C GLY A 104 7.774 14.494 -9.646 1.00 20.82 C ATOM 841 O GLY A 104 6.833 15.279 -9.695 1.00 20.89 O ATOM 842 H GLY A 104 9.189 16.825 -8.861 1.00 0.00 H ATOM 843 N SER A 105 7.684 13.217 -9.173 1.00 20.67 N ATOM 844 CA SER A 105 6.309 12.635 -8.939 1.00 22.39 C ATOM 845 C SER A 105 6.420 11.761 -7.712 1.00 25.62 C ATOM 846 O SER A 105 7.415 10.938 -7.570 1.00 22.25 O ATOM 847 CB SER A 105 5.933 11.758 -10.068 1.00 23.76 C ATOM 848 OG SER A 105 5.910 12.450 -11.305 1.00 24.00 O ATOM 849 HG SER A 105 6.809 12.821 -11.491 1.00 0.00 H ATOM 850 H SER A 105 8.540 12.659 -8.979 1.00 0.00 H ATOM 851 N GLN A 106 5.482 11.933 -6.807 1.00 25.80 N ATOM 852 CA GLN A 106 5.278 10.989 -5.712 1.00 26.11 C ATOM 853 C GLN A 106 6.541 10.820 -4.847 1.00 26.83 C ATOM 854 O GLN A 106 7.044 9.705 -4.679 1.00 25.68 O ATOM 855 CB GLN A 106 4.741 9.647 -6.238 1.00 29.94 C ATOM 856 CG GLN A 106 4.145 8.866 -5.043 1.00 33.35 C ATOM 857 CD GLN A 106 3.146 7.776 -5.277 1.00 35.67 C ATOM 858 OE1 GLN A 106 2.809 7.400 -6.376 1.00 43.32 O ATOM 859 NE2 GLN A 106 2.786 7.119 -4.160 1.00 39.92 N ATOM 860 HE22 GLN A 106 3.092 7.468 -3.230 1.00 0.00 H ATOM 861 HE21 GLN A 106 2.201 6.262 -4.227 1.00 0.00 H ATOM 862 H GLN A 106 4.866 12.768 -6.873 1.00 0.00 H ATOM 863 N PRO A 107 7.041 11.895 -4.232 1.00 24.34 N ATOM 864 CA PRO A 107 6.452 13.172 -4.154 1.00 24.36 C ATOM 865 C PRO A 107 6.906 14.109 -5.249 1.00 23.67 C ATOM 866 O PRO A 107 7.915 13.860 -5.871 1.00 20.35 O ATOM 867 CB PRO A 107 6.889 13.666 -2.793 1.00 28.73 C ATOM 868 CG PRO A 107 8.261 13.110 -2.656 1.00 26.55 C ATOM 869 CD PRO A 107 8.134 11.757 -3.290 1.00 29.02 C ATOM 870 N GLN A 108 6.228 15.213 -5.377 1.00 20.13 N ATOM 871 CA GLN A 108 6.660 16.187 -6.359 1.00 21.43 C ATOM 872 C GLN A 108 8.031 16.797 -5.860 1.00 21.15 C ATOM 873 O GLN A 108 8.805 17.202 -6.719 1.00 22.26 O ATOM 874 CB GLN A 108 5.688 17.302 -6.523 1.00 21.63 C ATOM 875 CG GLN A 108 4.441 16.822 -7.313 1.00 23.48 C ATOM 876 CD GLN A 108 3.386 17.904 -7.465 1.00 25.06 C ATOM 877 OE1 GLN A 108 3.129 18.597 -6.515 1.00 29.55 O ATOM 878 NE2 GLN A 108 2.969 18.206 -8.637 1.00 28.36 N ATOM 879 HE22 GLN A 108 3.202 17.594 -9.445 1.00 0.00 H ATOM 880 HE21 GLN A 108 2.398 19.063 -8.781 1.00 0.00 H ATOM 881 H GLN A 108 5.392 15.393 -4.785 1.00 0.00 H ATOM 882 N THR A 109 8.179 16.969 -4.568 1.00 20.76 N ATOM 883 CA THR A 109 9.321 17.661 -3.969 1.00 20.75 C ATOM 884 C THR A 109 9.794 16.995 -2.701 1.00 22.10 C ATOM 885 O THR A 109 9.019 16.253 -2.022 1.00 22.47 O ATOM 886 CB THR A 109 8.963 19.112 -3.553 1.00 22.70 C ATOM 887 OG1 THR A 109 8.086 19.047 -2.386 1.00 23.84 O ATOM 888 CG2 THR A 109 8.322 19.908 -4.648 1.00 25.55 C ATOM 889 HG1 THR A 109 7.265 18.546 -2.619 1.00 0.00 H ATOM 890 H THR A 109 7.445 16.593 -3.935 1.00 0.00 H ATOM 891 N PHE A 110 11.095 17.139 -2.392 1.00 19.38 N ATOM 892 CA PHE A 110 11.630 16.673 -1.117 1.00 18.47 C ATOM 893 C PHE A 110 13.063 17.313 -0.960 1.00 17.77 C ATOM 894 O PHE A 110 13.543 18.019 -1.848 1.00 17.32 O ATOM 895 CB PHE A 110 11.770 15.140 -1.077 1.00 19.41 C ATOM 896 CG PHE A 110 12.734 14.510 -2.019 1.00 17.75 C ATOM 897 CD1 PHE A 110 12.467 14.334 -3.355 1.00 17.78 C ATOM 898 CD2 PHE A 110 14.031 14.182 -1.567 1.00 19.77 C ATOM 899 CE1 PHE A 110 13.398 13.835 -4.268 1.00 19.64 C ATOM 900 CE2 PHE A 110 14.970 13.622 -2.455 1.00 19.46 C ATOM 901 CZ PHE A 110 14.669 13.504 -3.803 1.00 20.43 C ATOM 902 H PHE A 110 11.733 17.592 -3.077 1.00 0.00 H ATOM 903 N PHE A 111 13.642 17.084 0.235 1.00 17.43 N ATOM 904 CA PHE A 111 15.003 17.640 0.526 1.00 18.07 C ATOM 905 C PHE A 111 15.958 16.433 0.666 1.00 19.49 C ATOM 906 O PHE A 111 15.645 15.460 1.279 1.00 18.07 O ATOM 907 CB PHE A 111 15.066 18.424 1.798 1.00 19.82 C ATOM 908 CG PHE A 111 14.288 19.678 1.763 1.00 19.82 C ATOM 909 CD1 PHE A 111 12.960 19.640 2.048 1.00 20.78 C ATOM 910 CD2 PHE A 111 14.862 20.872 1.456 1.00 22.58 C ATOM 911 CE1 PHE A 111 12.163 20.793 2.026 1.00 24.39 C ATOM 912 CE2 PHE A 111 14.092 22.011 1.458 1.00 23.62 C ATOM 913 CZ PHE A 111 12.722 21.949 1.734 1.00 23.31 C ATOM 914 H PHE A 111 13.145 16.522 0.955 1.00 0.00 H ATOM 915 N GLY A 112 17.136 16.579 0.064 1.00 17.53 N ATOM 916 CA GLY A 112 18.208 15.642 0.355 1.00 17.92 C ATOM 917 C GLY A 112 19.289 16.399 1.121 1.00 18.16 C ATOM 918 O GLY A 112 19.916 17.324 0.533 1.00 18.42 O ATOM 919 H GLY A 112 17.288 17.357 -0.609 1.00 0.00 H ATOM 920 N LEU A 113 19.475 16.036 2.394 1.00 17.19 N ATOM 921 CA LEU A 113 20.316 16.744 3.296 1.00 17.34 C ATOM 922 C LEU A 113 21.544 15.912 3.629 1.00 18.35 C ATOM 923 O LEU A 113 21.456 14.689 3.760 1.00 18.97 O ATOM 924 CB LEU A 113 19.636 17.112 4.562 1.00 17.62 C ATOM 925 CG LEU A 113 18.375 18.062 4.291 1.00 18.04 C ATOM 926 CD1 LEU A 113 17.803 18.513 5.611 1.00 19.23 C ATOM 927 CD2 LEU A 113 18.780 19.255 3.469 1.00 19.60 C ATOM 928 H LEU A 113 18.979 15.191 2.743 1.00 0.00 H ATOM 929 N ILE A 114 22.670 16.556 3.766 1.00 18.57 N ATOM 930 CA ILE A 114 23.932 15.800 4.001 1.00 18.90 C ATOM 931 C ILE A 114 24.048 15.473 5.492 1.00 18.36 C ATOM 932 O ILE A 114 24.142 16.339 6.339 1.00 20.23 O ATOM 933 CB ILE A 114 25.134 16.658 3.544 1.00 20.03 C ATOM 934 CG1 ILE A 114 25.055 16.952 2.054 1.00 19.45 C ATOM 935 CG2 ILE A 114 26.458 15.993 3.858 1.00 19.43 C ATOM 936 CD1 ILE A 114 25.861 18.232 1.750 1.00 22.02 C ATOM 937 H ILE A 114 22.687 17.594 3.711 1.00 0.00 H ATOM 938 N LYS A 115 24.016 14.237 5.822 1.00 19.94 N ATOM 939 CA LYS A 115 23.825 13.786 7.207 1.00 22.02 C ATOM 940 C LYS A 115 24.853 14.309 8.173 1.00 19.95 C ATOM 941 O LYS A 115 24.498 14.820 9.226 1.00 21.76 O ATOM 942 CB LYS A 115 23.752 12.274 7.298 1.00 23.03 C ATOM 943 CG LYS A 115 23.490 11.740 8.685 1.00 28.01 C ATOM 944 CD LYS A 115 24.589 10.943 9.323 1.00 34.30 C ATOM 945 CE LYS A 115 24.129 9.730 10.242 1.00 36.23 C ATOM 946 NZ LYS A 115 24.979 9.644 11.508 1.00 27.42 N ATOM 947 HZ1 LYS A 115 25.976 9.504 11.246 1.00 0.00 H ATOM 948 HZ2 LYS A 115 24.883 10.527 12.049 1.00 0.00 H ATOM 949 HZ3 LYS A 115 24.656 8.843 12.088 1.00 0.00 H ATOM 950 H LYS A 115 24.130 13.520 5.077 1.00 0.00 H ATOM 951 N ASP A 116 26.130 14.323 7.793 1.00 19.73 N ATOM 952 CA ASP A 116 27.190 14.789 8.672 1.00 20.65 C ATOM 953 C ASP A 116 27.263 16.235 8.820 1.00 20.97 C ATOM 954 O ASP A 116 28.079 16.766 9.618 1.00 21.81 O ATOM 955 CB ASP A 116 28.620 14.242 8.231 1.00 22.09 C ATOM 956 CG ASP A 116 28.859 14.416 6.734 1.00 25.32 C ATOM 957 OD1 ASP A 116 28.176 13.818 5.916 1.00 28.71 O ATOM 958 OD2 ASP A 116 29.781 15.019 6.416 1.00 30.94 O ATOM 959 H ASP A 116 26.376 13.991 6.839 1.00 0.00 H ATOM 960 N ARG A 117 26.390 16.995 8.113 1.00 20.06 N ATOM 961 CA ARG A 117 26.353 18.399 8.263 1.00 20.03 C ATOM 962 C ARG A 117 25.214 18.852 9.208 1.00 19.29 C ATOM 963 O ARG A 117 25.035 20.035 9.386 1.00 19.91 O ATOM 964 CB ARG A 117 26.251 19.054 6.885 1.00 21.58 C ATOM 965 CG ARG A 117 27.524 18.743 6.092 1.00 23.74 C ATOM 966 CD ARG A 117 27.726 19.612 4.883 1.00 24.65 C ATOM 967 NE ARG A 117 28.801 19.091 4.036 1.00 26.68 N ATOM 968 CZ ARG A 117 29.200 19.615 2.878 1.00 31.67 C ATOM 969 NH1 ARG A 117 28.522 20.633 2.329 1.00 29.14 N ATOM 970 NH2 ARG A 117 30.205 19.016 2.135 1.00 33.20 N ATOM 971 HE ARG A 117 29.296 18.238 4.367 1.00 0.00 H ATOM 972 HH12 ARG A 117 28.836 21.040 1.425 1.00 0.00 H ATOM 973 HH11 ARG A 117 27.682 21.016 2.807 1.00 0.00 H ATOM 974 HH22 ARG A 117 30.506 19.437 1.233 1.00 0.00 H ATOM 975 HH21 ARG A 117 30.658 18.146 2.480 1.00 0.00 H ATOM 976 H ARG A 117 25.736 16.535 7.448 1.00 0.00 H ATOM 977 N LEU A 118 24.499 17.908 9.757 1.00 19.08 N ATOM 978 CA LEU A 118 23.403 18.140 10.689 1.00 18.11 C ATOM 979 C LEU A 118 23.777 17.584 12.068 1.00 18.32 C ATOM 980 O LEU A 118 24.568 16.635 12.188 1.00 21.41 O ATOM 981 CB LEU A 118 22.136 17.420 10.172 1.00 18.62 C ATOM 982 CG LEU A 118 21.624 17.830 8.816 1.00 20.39 C ATOM 983 CD1 LEU A 118 20.459 17.001 8.443 1.00 23.26 C ATOM 984 CD2 LEU A 118 21.225 19.297 8.877 1.00 21.17 C ATOM 985 H LEU A 118 24.727 16.923 9.513 1.00 0.00 H ATOM 986 N ALA A 119 23.225 18.213 13.096 1.00 18.70 N ATOM 987 CA ALA A 119 23.301 17.621 14.484 1.00 19.26 C ATOM 988 C ALA A 119 21.940 17.197 14.951 1.00 20.12 C ATOM 989 O ALA A 119 21.005 17.976 14.813 1.00 20.84 O ATOM 990 CB ALA A 119 23.911 18.599 15.452 1.00 19.67 C ATOM 991 H ALA A 119 22.737 19.119 12.946 1.00 0.00 H ATOM 992 N GLU A 120 21.790 15.954 15.431 1.00 19.72 N ATOM 993 CA GLU A 120 20.513 15.431 15.842 1.00 21.85 C ATOM 994 C GLU A 120 20.342 15.581 17.402 1.00 22.72 C ATOM 995 O GLU A 120 21.285 15.335 18.157 1.00 20.73 O ATOM 996 CB GLU A 120 20.427 13.983 15.462 1.00 27.40 C ATOM 997 CG GLU A 120 19.091 13.308 15.787 1.00 32.06 C ATOM 998 CD GLU A 120 18.965 11.922 15.107 1.00 38.05 C ATOM 999 OE1 GLU A 120 19.964 11.401 14.546 1.00 40.61 O ATOM 1000 OE2 GLU A 120 17.836 11.454 14.998 1.00 36.64 O ATOM 1001 H GLU A 120 22.629 15.344 15.509 1.00 0.00 H ATOM 1002 N GLY A 121 19.175 15.993 17.803 1.00 22.29 N ATOM 1003 CA GLY A 121 18.990 16.132 19.253 1.00 22.55 C ATOM 1004 C GLY A 121 17.531 16.323 19.666 1.00 24.93 C ATOM 1005 O GLY A 121 16.572 16.084 18.940 1.00 24.67 O ATOM 1006 H GLY A 121 18.412 16.213 17.131 1.00 0.00 H ATOM 1007 N PRO A 122 17.382 16.586 20.967 1.00 28.56 N ATOM 1008 CA PRO A 122 16.000 16.627 21.519 1.00 30.36 C ATOM 1009 C PRO A 122 15.149 17.747 20.991 1.00 30.69 C ATOM 1010 O PRO A 122 15.683 18.763 20.557 1.00 32.83 O ATOM 1011 CB PRO A 122 16.241 16.796 23.025 1.00 32.43 C ATOM 1012 CG PRO A 122 17.670 17.242 23.192 1.00 31.91 C ATOM 1013 CD PRO A 122 18.407 16.809 21.979 1.00 29.43 C ATOM 1014 N ALA A 123 13.822 17.566 21.033 1.00 33.99 N ATOM 1015 CA ALA A 123 12.882 18.481 20.387 1.00 39.34 C ATOM 1016 C ALA A 123 12.874 19.892 21.043 1.00 50.28 C ATOM 1017 O ALA A 123 13.364 20.050 22.149 1.00 47.55 O ATOM 1018 CB ALA A 123 11.480 17.864 20.381 1.00 44.52 C ATOM 1019 H ALA A 123 13.446 16.743 21.545 1.00 0.00 H ATOM 1020 N ASP A 124 12.330 20.942 20.376 1.00 61.44 N ATOM 1021 CA ASP A 124 12.369 22.338 21.011 1.00 65.53 C ATOM 1022 C ASP A 124 11.019 22.653 21.706 1.00 68.87 C ATOM 1023 O ASP A 124 10.479 21.877 22.511 1.00 71.63 O ATOM 1024 CB ASP A 124 12.909 23.538 20.115 1.00 62.09 C ATOM 1025 CG ASP A 124 12.256 23.660 18.679 1.00 63.17 C ATOM 1026 OD1 ASP A 124 12.816 24.485 17.849 1.00 58.41 O ATOM 1027 OD2 ASP A 124 11.242 22.938 18.375 1.00 57.46 O ATOM 1028 OXT ASP A 124 10.438 23.706 21.518 1.00 72.78 O ATOM 1029 H ASP A 124 11.891 20.801 19.444 1.00 0.00 H TER 1030 ASP A 124 ATOM 1031 N ALA B 19 47.370 -2.991 14.692 1.00 53.23 N ATOM 1032 CA ALA B 19 46.054 -2.379 14.827 1.00 51.89 C ATOM 1033 C ALA B 19 46.162 -0.951 15.352 1.00 50.31 C ATOM 1034 O ALA B 19 47.222 -0.527 15.812 1.00 50.76 O ATOM 1035 CB ALA B 19 45.170 -3.216 15.739 1.00 51.41 C ATOM 1036 HN3 ALA B 19 47.838 -3.012 15.621 1.00 0.00 H ATOM 1037 HN2 ALA B 19 47.943 -2.434 14.026 1.00 0.00 H ATOM 1038 HN1 ALA B 19 47.265 -3.961 14.333 1.00 0.00 H ATOM 1039 N SER B 20 45.058 -0.214 15.279 1.00 40.75 N ATOM 1040 CA SER B 20 45.027 1.167 15.747 1.00 38.34 C ATOM 1041 C SER B 20 44.142 1.312 16.980 1.00 33.20 C ATOM 1042 O SER B 20 43.041 0.765 17.034 1.00 32.57 O ATOM 1043 CB SER B 20 44.538 2.099 14.636 1.00 36.96 C ATOM 1044 OG SER B 20 43.123 2.106 14.562 1.00 38.29 O ATOM 1045 HG SER B 20 42.835 2.715 13.837 1.00 0.00 H ATOM 1046 H SER B 20 44.195 -0.633 14.878 1.00 0.00 H ATOM 1047 N ILE B 21 44.632 2.053 17.969 1.00 26.66 N ATOM 1048 CA ILE B 21 43.888 2.272 19.204 1.00 26.28 C ATOM 1049 C ILE B 21 43.618 3.756 19.430 1.00 22.89 C ATOM 1050 O ILE B 21 44.357 4.612 18.945 1.00 25.56 O ATOM 1051 CB ILE B 21 44.643 1.709 20.423 1.00 29.83 C ATOM 1052 CG1 ILE B 21 45.925 2.505 20.670 1.00 32.64 C ATOM 1053 CG2 ILE B 21 44.956 0.234 20.221 1.00 34.59 C ATOM 1054 CD1 ILE B 21 46.553 2.248 22.023 1.00 39.22 C ATOM 1055 H ILE B 21 45.570 2.488 17.859 1.00 0.00 H ATOM 1056 N PHE B 22 42.554 4.053 20.169 1.00 20.08 N ATOM 1057 CA PHE B 22 42.194 5.412 20.455 1.00 18.82 C ATOM 1058 C PHE B 22 42.605 5.718 21.869 1.00 19.92 C ATOM 1059 O PHE B 22 42.267 5.040 22.774 1.00 21.40 O ATOM 1060 CB PHE B 22 40.709 5.634 20.313 1.00 19.47 C ATOM 1061 CG PHE B 22 40.248 5.623 18.922 1.00 19.55 C ATOM 1062 CD1 PHE B 22 39.944 4.460 18.319 1.00 20.76 C ATOM 1063 CD2 PHE B 22 40.132 6.782 18.217 1.00 20.09 C ATOM 1064 CE1 PHE B 22 39.518 4.433 17.027 1.00 23.34 C ATOM 1065 CE2 PHE B 22 39.698 6.771 16.932 1.00 22.56 C ATOM 1066 CZ PHE B 22 39.406 5.593 16.330 1.00 22.49 C ATOM 1067 H PHE B 22 41.969 3.282 20.549 1.00 0.00 H ATOM 1068 N ARG B 23 43.365 6.761 22.006 1.00 22.46 N ATOM 1069 CA ARG B 23 43.844 7.194 23.302 1.00 22.23 C ATOM 1070 C ARG B 23 43.264 8.452 23.721 1.00 20.98 C ATOM 1071 O ARG B 23 42.794 9.221 22.872 1.00 21.71 O ATOM 1072 CB ARG B 23 45.360 7.357 23.308 1.00 24.97 C ATOM 1073 CG ARG B 23 46.157 6.120 22.998 1.00 26.72 C ATOM 1074 CD ARG B 23 47.703 6.371 23.103 1.00 30.31 C ATOM 1075 NE ARG B 23 48.398 5.085 22.817 1.00 31.57 N ATOM 1076 HE ARG B 23 47.844 4.232 22.598 1.00 0.00 H ATOM 1077 H ARG B 23 43.638 7.301 21.160 1.00 0.00 H ATOM 1078 N CYS B 24 43.178 8.680 25.046 1.00 20.57 N ATOM 1079 CA CYS B 24 42.730 9.972 25.532 1.00 22.18 C ATOM 1080 C CYS B 24 43.721 11.026 24.946 1.00 26.90 C ATOM 1081 O CYS B 24 44.959 10.873 25.169 1.00 24.44 O ATOM 1082 CB CYS B 24 42.808 9.980 27.058 1.00 24.06 C ATOM 1083 SG CYS B 24 42.585 11.577 27.776 1.00 24.88 S ATOM 1084 H CYS B 24 43.433 7.930 25.720 1.00 0.00 H ATOM 1085 N ARG B 25 43.189 12.080 24.356 1.00 25.39 N ATOM 1086 CA ARG B 25 44.064 13.070 23.703 1.00 30.25 C ATOM 1087 C ARG B 25 44.843 13.877 24.756 1.00 31.37 C ATOM 1088 O ARG B 25 45.954 14.346 24.487 1.00 29.40 O ATOM 1089 CB ARG B 25 43.220 13.983 22.847 1.00 29.74 C ATOM 1090 CG ARG B 25 44.085 15.072 22.200 1.00 35.51 C ATOM 1091 CD ARG B 25 43.170 15.928 21.307 1.00 37.33 C ATOM 1092 NE ARG B 25 42.917 15.088 20.186 1.00 44.95 N ATOM 1093 CZ ARG B 25 43.698 14.968 19.096 1.00 43.36 C ATOM 1094 NH1 ARG B 25 44.756 15.753 18.923 1.00 49.21 N ATOM 1095 NH2 ARG B 25 43.333 14.099 18.142 1.00 37.53 N ATOM 1096 HE ARG B 25 42.050 14.515 20.211 1.00 0.00 H ATOM 1097 HH12 ARG B 25 45.349 15.647 18.075 1.00 0.00 H ATOM 1098 HH11 ARG B 25 44.991 16.473 19.635 1.00 0.00 H ATOM 1099 HH22 ARG B 25 43.918 13.986 17.290 1.00 0.00 H ATOM 1100 HH21 ARG B 25 42.465 13.538 18.255 1.00 0.00 H ATOM 1101 H ARG B 25 42.157 12.211 24.352 1.00 0.00 H ATOM 1102 N GLN B 26 44.302 13.989 25.946 1.00 29.73 N ATOM 1103 CA GLN B 26 44.945 14.763 26.980 1.00 33.71 C ATOM 1104 C GLN B 26 46.047 14.088 27.757 1.00 33.31 C ATOM 1105 O GLN B 26 47.005 14.715 28.069 1.00 35.61 O ATOM 1106 CB GLN B 26 43.895 15.348 27.891 1.00 37.22 C ATOM 1107 CG GLN B 26 44.385 15.877 29.201 1.00 40.39 C ATOM 1108 CD GLN B 26 43.324 16.606 29.993 1.00 42.62 C ATOM 1109 OE1 GLN B 26 43.273 16.510 31.178 1.00 46.68 O ATOM 1110 NE2 GLN B 26 42.508 17.355 29.331 1.00 48.34 N ATOM 1111 HE22 GLN B 26 42.581 17.415 28.295 1.00 0.00 H ATOM 1112 HE21 GLN B 26 41.777 17.898 29.833 1.00 0.00 H ATOM 1113 H GLN B 26 43.399 13.514 26.146 1.00 0.00 H ATOM 1114 N CYS B 27 45.953 12.811 28.020 1.00 27.71 N ATOM 1115 CA CYS B 27 46.966 12.126 28.809 1.00 31.03 C ATOM 1116 C CYS B 27 47.522 10.856 28.211 1.00 29.89 C ATOM 1117 O CYS B 27 48.433 10.301 28.727 1.00 32.73 O ATOM 1118 CB CYS B 27 46.408 11.824 30.189 1.00 32.72 C ATOM 1119 SG CYS B 27 45.460 10.300 30.258 1.00 28.39 S ATOM 1120 H CYS B 27 45.139 12.274 27.659 1.00 0.00 H ATOM 1121 N GLY B 28 46.937 10.377 27.140 1.00 27.34 N ATOM 1122 CA GLY B 28 47.442 9.211 26.470 1.00 24.92 C ATOM 1123 C GLY B 28 46.947 7.849 26.843 1.00 24.77 C ATOM 1124 O GLY B 28 47.280 6.889 26.234 1.00 26.82 O ATOM 1125 H GLY B 28 46.090 10.851 26.768 1.00 0.00 H ATOM 1126 N GLN B 29 46.130 7.793 27.856 1.00 26.71 N ATOM 1127 CA GLN B 29 45.551 6.481 28.339 1.00 30.52 C ATOM 1128 C GLN B 29 44.861 5.776 27.194 1.00 26.03 C ATOM 1129 O GLN B 29 44.137 6.413 26.477 1.00 24.69 O ATOM 1130 CB GLN B 29 44.574 6.673 29.464 1.00 33.05 C ATOM 1131 CG GLN B 29 44.296 5.267 29.999 1.00 37.83 C ATOM 1132 CD GLN B 29 43.596 5.249 31.205 1.00 38.09 C ATOM 1133 OE1 GLN B 29 43.933 4.465 32.083 1.00 38.43 O ATOM 1134 NE2 GLN B 29 42.441 5.952 31.212 1.00 36.14 N ATOM 1135 HE22 GLN B 29 42.222 6.601 30.429 1.00 0.00 H ATOM 1136 HE21 GLN B 29 41.771 5.844 32.000 1.00 0.00 H ATOM 1137 H GLN B 29 45.869 8.673 28.345 1.00 0.00 H ATOM 1138 N THR B 30 45.079 4.464 27.000 1.00 24.01 N ATOM 1139 CA THR B 30 44.334 3.694 26.075 1.00 26.43 C ATOM 1140 C THR B 30 42.810 3.695 26.497 1.00 24.77 C ATOM 1141 O THR B 30 42.461 3.414 27.653 1.00 23.57 O ATOM 1142 CB THR B 30 44.846 2.267 25.920 1.00 27.65 C ATOM 1143 OG1 THR B 30 46.160 2.367 25.324 1.00 29.15 O ATOM 1144 CG2 THR B 30 44.067 1.549 24.871 1.00 28.34 C ATOM 1145 HG1 THR B 30 46.536 1.459 25.203 1.00 0.00 H ATOM 1146 H THR B 30 45.826 3.995 27.552 1.00 0.00 H ATOM 1147 N ILE B 31 41.967 4.051 25.557 1.00 21.17 N ATOM 1148 CA ILE B 31 40.510 4.069 25.767 1.00 20.75 C ATOM 1149 C ILE B 31 39.736 3.098 24.960 1.00 20.61 C ATOM 1150 O ILE B 31 38.871 2.364 25.483 1.00 22.50 O ATOM 1151 CB ILE B 31 39.914 5.479 25.587 1.00 21.98 C ATOM 1152 CG1 ILE B 31 40.611 6.474 26.479 1.00 22.10 C ATOM 1153 CG2 ILE B 31 38.352 5.488 25.889 1.00 21.06 C ATOM 1154 CD1 ILE B 31 40.410 6.336 27.940 1.00 23.42 C ATOM 1155 H ILE B 31 42.342 4.331 24.628 1.00 0.00 H ATOM 1156 N SER B 32 39.940 3.036 23.660 1.00 19.45 N ATOM 1157 CA SER B 32 39.209 2.033 22.861 1.00 19.05 C ATOM 1158 C SER B 32 39.991 1.689 21.623 1.00 20.46 C ATOM 1159 O SER B 32 41.220 2.016 21.538 1.00 22.55 O ATOM 1160 CB SER B 32 37.821 2.561 22.563 1.00 20.16 C ATOM 1161 OG SER B 32 36.982 1.525 22.061 1.00 20.14 O ATOM 1162 HG SER B 32 36.911 0.803 22.735 1.00 0.00 H ATOM 1163 H SER B 32 40.609 3.687 23.201 1.00 0.00 H ATOM 1164 N ARG B 33 39.387 0.921 20.753 1.00 22.92 N ATOM 1165 CA ARG B 33 40.039 0.401 19.602 1.00 24.86 C ATOM 1166 C ARG B 33 39.176 0.484 18.353 1.00 25.17 C ATOM 1167 O ARG B 33 38.004 0.336 18.399 1.00 20.36 O ATOM 1168 CB ARG B 33 40.368 -1.087 19.832 1.00 27.77 C ATOM 1169 CG ARG B 33 41.090 -1.456 21.131 1.00 36.49 C ATOM 1170 CD ARG B 33 41.351 -2.917 21.347 1.00 34.50 C ATOM 1171 NE ARG B 33 42.438 -3.311 20.484 1.00 47.42 N ATOM 1172 CZ ARG B 33 43.730 -3.191 20.779 1.00 47.36 C ATOM 1173 NH1 ARG B 33 44.121 -2.716 21.948 1.00 50.45 N ATOM 1174 NH2 ARG B 33 44.626 -3.570 19.899 1.00 53.42 N ATOM 1175 HE ARG B 33 42.193 -3.720 19.560 1.00 0.00 H ATOM 1176 HH12 ARG B 33 45.135 -2.629 22.161 1.00 0.00 H ATOM 1177 HH11 ARG B 33 43.415 -2.429 22.655 1.00 0.00 H ATOM 1178 HH22 ARG B 33 45.639 -3.482 20.117 1.00 0.00 H ATOM 1179 HH21 ARG B 33 44.323 -3.959 18.983 1.00 0.00 H ATOM 1180 H ARG B 33 38.387 0.681 20.910 1.00 0.00 H ATOM 1181 N ARG B 34 39.824 0.673 17.228 1.00 22.07 N ATOM 1182 CA ARG B 34 39.129 0.719 15.989 1.00 23.60 C ATOM 1183 C ARG B 34 38.336 -0.562 15.725 1.00 20.47 C ATOM 1184 O ARG B 34 37.313 -0.494 15.164 1.00 21.72 O ATOM 1185 CB ARG B 34 40.099 0.992 14.857 1.00 25.11 C ATOM 1186 CG ARG B 34 39.507 0.987 13.485 1.00 30.63 C ATOM 1187 CD ARG B 34 40.296 1.860 12.532 1.00 31.71 C ATOM 1188 NE ARG B 34 39.365 2.443 11.617 1.00 42.29 N ATOM 1189 CZ ARG B 34 38.976 3.707 11.584 1.00 37.87 C ATOM 1190 NH1 ARG B 34 39.490 4.625 12.352 1.00 33.16 N ATOM 1191 NH2 ARG B 34 38.066 4.027 10.729 1.00 43.70 N ATOM 1192 HE ARG B 34 38.951 1.809 10.904 1.00 0.00 H ATOM 1193 HH12 ARG B 34 39.150 5.606 12.289 1.00 0.00 H ATOM 1194 HH11 ARG B 34 40.240 4.377 13.028 1.00 0.00 H ATOM 1195 HH22 ARG B 34 37.731 5.010 10.669 1.00 0.00 H ATOM 1196 HH21 ARG B 34 37.667 3.302 10.099 1.00 0.00 H ATOM 1197 H ARG B 34 40.857 0.790 17.243 1.00 0.00 H ATOM 1198 N ASP B 35 38.857 -1.718 16.127 1.00 21.02 N ATOM 1199 CA ASP B 35 38.138 -3.011 15.955 1.00 22.66 C ATOM 1200 C ASP B 35 36.784 -2.953 16.655 1.00 21.86 C ATOM 1201 O ASP B 35 35.919 -3.778 16.308 1.00 20.65 O ATOM 1202 CB ASP B 35 38.908 -4.149 16.588 1.00 26.51 C ATOM 1203 CG ASP B 35 40.119 -4.631 15.717 1.00 33.27 C ATOM 1204 OD1 ASP B 35 40.239 -4.238 14.551 1.00 37.38 O ATOM 1205 OD2 ASP B 35 40.914 -5.412 16.286 1.00 38.84 O ATOM 1206 H ASP B 35 39.795 -1.719 16.575 1.00 0.00 H ATOM 1207 N TRP B 36 36.623 -2.079 17.643 1.00 19.54 N ATOM 1208 CA TRP B 36 35.419 -2.003 18.469 1.00 21.29 C ATOM 1209 C TRP B 36 34.469 -0.929 17.988 1.00 20.77 C ATOM 1210 O TRP B 36 33.381 -0.751 18.586 1.00 20.90 O ATOM 1211 CB TRP B 36 35.744 -1.716 19.928 1.00 20.28 C ATOM 1212 CG TRP B 36 36.531 -2.821 20.567 1.00 20.39 C ATOM 1213 CD1 TRP B 36 36.602 -4.107 20.150 1.00 19.98 C ATOM 1214 CD2 TRP B 36 37.237 -2.746 21.810 1.00 20.78 C ATOM 1215 NE1 TRP B 36 37.348 -4.845 21.070 1.00 21.25 N ATOM 1216 CE2 TRP B 36 37.795 -4.007 22.048 1.00 22.86 C ATOM 1217 CE3 TRP B 36 37.493 -1.750 22.728 1.00 20.55 C ATOM 1218 CZ2 TRP B 36 38.592 -4.251 23.150 1.00 23.96 C ATOM 1219 CZ3 TRP B 36 38.250 -1.956 23.810 1.00 21.46 C ATOM 1220 CH2 TRP B 36 38.781 -3.219 24.045 1.00 24.04 C ATOM 1221 HE1 TRP B 36 37.533 -5.867 21.018 1.00 0.00 H ATOM 1222 H TRP B 36 37.396 -1.412 17.840 1.00 0.00 H ATOM 1223 N LEU B 37 34.730 -0.326 16.811 1.00 20.85 N ATOM 1224 CA LEU B 37 33.745 0.609 16.282 1.00 22.30 C ATOM 1225 C LEU B 37 32.408 -0.069 16.029 1.00 25.23 C ATOM 1226 O LEU B 37 32.401 -1.215 15.580 1.00 24.44 O ATOM 1227 CB LEU B 37 34.185 1.220 14.976 1.00 23.44 C ATOM 1228 CG LEU B 37 35.203 2.295 15.250 1.00 25.48 C ATOM 1229 CD1 LEU B 37 35.808 2.689 13.898 1.00 30.32 C ATOM 1230 CD2 LEU B 37 34.597 3.535 15.822 1.00 24.61 C ATOM 1231 H LEU B 37 35.611 -0.523 16.294 1.00 0.00 H ATOM 1232 N LEU B 38 31.342 0.637 16.404 1.00 21.95 N ATOM 1233 CA LEU B 38 30.019 0.049 16.354 1.00 24.74 C ATOM 1234 C LEU B 38 29.080 0.927 15.542 1.00 26.14 C ATOM 1235 O LEU B 38 28.747 2.065 15.966 1.00 23.21 O ATOM 1236 CB LEU B 38 29.499 -0.028 17.799 1.00 23.96 C ATOM 1237 CG LEU B 38 28.016 -0.511 17.937 1.00 27.95 C ATOM 1238 CD1 LEU B 38 27.883 -1.892 17.343 1.00 29.89 C ATOM 1239 CD2 LEU B 38 27.657 -0.534 19.402 1.00 27.83 C ATOM 1240 H LEU B 38 31.460 1.616 16.735 1.00 0.00 H ATOM 1241 N PRO B 39 28.609 0.443 14.415 1.00 27.67 N ATOM 1242 CA PRO B 39 27.702 1.314 13.635 1.00 32.13 C ATOM 1243 C PRO B 39 26.233 1.323 14.132 1.00 36.88 C ATOM 1244 O PRO B 39 25.356 0.714 13.506 1.00 44.62 O ATOM 1245 CB PRO B 39 27.796 0.725 12.204 1.00 37.44 C ATOM 1246 CG PRO B 39 28.184 -0.684 12.396 1.00 36.55 C ATOM 1247 CD PRO B 39 29.006 -0.792 13.664 1.00 33.91 C ATOM 1248 N MET B 40 25.916 2.105 15.137 1.00 33.75 N ATOM 1249 CA MET B 40 24.546 2.254 15.709 1.00 30.05 C ATOM 1250 C MET B 40 23.744 3.024 14.774 1.00 30.99 C ATOM 1251 O MET B 40 24.158 4.066 14.234 1.00 31.17 O ATOM 1252 CB MET B 40 24.581 2.942 17.049 1.00 30.56 C ATOM 1253 CG MET B 40 25.265 2.219 18.120 1.00 31.81 C ATOM 1254 SD MET B 40 24.273 0.765 18.712 1.00 38.04 S ATOM 1255 CE MET B 40 22.709 1.645 18.952 1.00 33.76 C ATOM 1256 H MET B 40 26.679 2.665 15.568 1.00 0.00 H ATOM 1257 N GLY B 41 22.549 2.470 14.536 1.00 32.56 N ATOM 1258 CA GLY B 41 21.665 2.856 13.446 1.00 34.86 C ATOM 1259 C GLY B 41 22.326 3.110 12.101 1.00 36.06 C ATOM 1260 O GLY B 41 21.953 4.051 11.458 1.00 38.39 O ATOM 1261 H GLY B 41 22.230 1.712 15.173 1.00 0.00 H ATOM 1262 N GLY B 42 23.305 2.333 11.716 1.00 35.96 N ATOM 1263 CA GLY B 42 23.872 2.360 10.381 1.00 35.29 C ATOM 1264 C GLY B 42 25.149 3.240 10.268 1.00 35.50 C ATOM 1265 O GLY B 42 25.629 3.435 9.125 1.00 35.15 O ATOM 1266 H GLY B 42 23.698 1.659 12.404 1.00 0.00 H ATOM 1267 N ASP B 43 25.619 3.863 11.367 1.00 28.67 N ATOM 1268 CA ASP B 43 26.799 4.730 11.231 1.00 29.71 C ATOM 1269 C ASP B 43 27.513 4.730 12.520 1.00 25.00 C ATOM 1270 O ASP B 43 26.863 4.896 13.554 1.00 25.65 O ATOM 1271 CB ASP B 43 26.312 6.106 10.821 1.00 36.72 C ATOM 1272 CG ASP B 43 27.453 7.007 10.247 1.00 39.50 C ATOM 1273 OD1 ASP B 43 28.656 6.758 10.533 1.00 35.96 O ATOM 1274 OD2 ASP B 43 27.045 7.996 9.581 1.00 40.40 O ATOM 1275 H ASP B 43 25.158 3.733 12.290 1.00 0.00 H ATOM 1276 N HIS B 44 28.843 4.574 12.541 1.00 26.46 N ATOM 1277 CA HIS B 44 29.538 4.741 13.830 1.00 23.73 C ATOM 1278 C HIS B 44 29.641 6.217 14.285 1.00 21.51 C ATOM 1279 O HIS B 44 29.811 6.440 15.462 1.00 22.18 O ATOM 1280 CB HIS B 44 30.883 4.089 13.914 1.00 24.51 C ATOM 1281 CG HIS B 44 31.907 4.657 12.986 1.00 29.20 C ATOM 1282 ND1 HIS B 44 32.439 3.948 11.941 1.00 37.20 N ATOM 1283 CD2 HIS B 44 32.533 5.877 12.979 1.00 29.96 C ATOM 1284 CE1 HIS B 44 33.312 4.717 11.291 1.00 41.02 C ATOM 1285 NE2 HIS B 44 33.380 5.895 11.894 1.00 34.97 N ATOM 1286 H HIS B 44 29.369 4.342 11.674 1.00 0.00 H ATOM 1287 N GLU B 45 29.500 7.145 13.377 1.00 19.77 N ATOM 1288 CA GLU B 45 29.455 8.556 13.666 1.00 18.45 C ATOM 1289 C GLU B 45 28.113 9.171 13.836 1.00 19.15 C ATOM 1290 O GLU B 45 27.262 8.988 12.946 1.00 18.59 O ATOM 1291 CB GLU B 45 30.242 9.330 12.634 1.00 20.11 C ATOM 1292 CG GLU B 45 30.353 10.823 13.006 1.00 19.35 C ATOM 1293 CD GLU B 45 31.277 11.661 12.084 1.00 22.70 C ATOM 1294 OE1 GLU B 45 32.519 11.539 12.261 1.00 21.77 O ATOM 1295 OE2 GLU B 45 30.786 12.520 11.249 1.00 22.34 O ATOM 1296 H GLU B 45 29.415 6.847 12.384 1.00 0.00 H ATOM 1297 N HIS B 46 27.863 9.881 14.933 1.00 19.32 N ATOM 1298 CA HIS B 46 26.614 10.593 15.224 1.00 20.45 C ATOM 1299 C HIS B 46 26.965 12.004 15.677 1.00 20.36 C ATOM 1300 O HIS B 46 27.597 12.155 16.719 1.00 21.17 O ATOM 1301 CB HIS B 46 25.886 9.891 16.321 1.00 22.90 C ATOM 1302 CG HIS B 46 25.432 8.529 15.901 1.00 22.95 C ATOM 1303 ND1 HIS B 46 24.126 8.315 15.567 1.00 28.76 N ATOM 1304 CD2 HIS B 46 26.079 7.353 15.680 1.00 23.69 C ATOM 1305 CE1 HIS B 46 23.980 7.054 15.167 1.00 28.07 C ATOM 1306 NE2 HIS B 46 25.162 6.483 15.160 1.00 23.97 N ATOM 1307 H HIS B 46 28.618 9.936 15.646 1.00 0.00 H ATOM 1308 N VAL B 47 26.525 13.018 14.942 1.00 17.57 N ATOM 1309 CA VAL B 47 26.670 14.426 15.362 1.00 18.18 C ATOM 1310 C VAL B 47 25.353 14.771 16.063 1.00 20.12 C ATOM 1311 O VAL B 47 24.273 14.533 15.502 1.00 20.16 O ATOM 1312 CB VAL B 47 26.889 15.314 14.185 1.00 17.39 C ATOM 1313 CG1 VAL B 47 27.076 16.793 14.671 1.00 17.83 C ATOM 1314 CG2 VAL B 47 28.223 14.918 13.428 1.00 17.44 C ATOM 1315 H VAL B 47 26.060 12.813 14.035 1.00 0.00 H ATOM 1316 N VAL B 48 25.433 15.214 17.298 1.00 19.41 N ATOM 1317 CA VAL B 48 24.365 15.257 18.248 1.00 17.22 C ATOM 1318 C VAL B 48 24.429 16.579 18.994 1.00 19.17 C ATOM 1319 O VAL B 48 25.479 17.227 19.059 1.00 19.63 O ATOM 1320 CB VAL B 48 24.280 14.081 19.192 1.00 19.22 C ATOM 1321 CG1 VAL B 48 24.028 12.806 18.403 1.00 20.22 C ATOM 1322 CG2 VAL B 48 25.598 13.912 19.989 1.00 20.36 C ATOM 1323 H VAL B 48 26.359 15.566 17.614 1.00 0.00 H ATOM 1324 N PHE B 49 23.296 16.993 19.591 1.00 19.20 N ATOM 1325 CA PHE B 49 23.302 18.159 20.466 1.00 17.93 C ATOM 1326 C PHE B 49 22.516 17.827 21.722 1.00 17.91 C ATOM 1327 O PHE B 49 21.546 17.042 21.710 1.00 18.11 O ATOM 1328 CB PHE B 49 22.858 19.431 19.819 1.00 18.57 C ATOM 1329 CG PHE B 49 21.414 19.420 19.415 1.00 20.32 C ATOM 1330 CD1 PHE B 49 20.473 19.893 20.295 1.00 20.62 C ATOM 1331 CD2 PHE B 49 21.039 19.066 18.133 1.00 21.78 C ATOM 1332 CE1 PHE B 49 19.094 19.937 19.917 1.00 23.72 C ATOM 1333 CE2 PHE B 49 19.720 18.981 17.759 1.00 22.27 C ATOM 1334 CZ PHE B 49 18.707 19.433 18.636 1.00 24.91 C ATOM 1335 H PHE B 49 22.408 16.477 19.427 1.00 0.00 H ATOM 1336 N ASN B 50 22.983 18.355 22.882 1.00 17.97 N ATOM 1337 CA ASN B 50 22.281 18.152 24.161 1.00 18.08 C ATOM 1338 C ASN B 50 21.235 19.283 24.435 1.00 18.82 C ATOM 1339 O ASN B 50 21.104 20.203 23.652 1.00 17.06 O ATOM 1340 CB ASN B 50 23.295 17.882 25.313 1.00 19.53 C ATOM 1341 CG ASN B 50 24.026 19.111 25.753 1.00 20.97 C ATOM 1342 OD1 ASN B 50 23.646 20.231 25.375 1.00 22.44 O ATOM 1343 ND2 ASN B 50 25.051 18.909 26.600 1.00 23.09 N ATOM 1344 HD22 ASN B 50 25.316 17.941 26.875 1.00 0.00 H ATOM 1345 HD21 ASN B 50 25.579 19.720 26.980 1.00 0.00 H ATOM 1346 H ASN B 50 23.858 18.917 22.867 1.00 0.00 H ATOM 1347 N PRO B 51 20.471 19.155 25.552 1.00 19.57 N ATOM 1348 CA PRO B 51 19.448 20.158 25.811 1.00 21.32 C ATOM 1349 C PRO B 51 20.018 21.557 26.068 1.00 21.81 C ATOM 1350 O PRO B 51 19.266 22.497 25.946 1.00 23.14 O ATOM 1351 CB PRO B 51 18.697 19.647 27.021 1.00 21.52 C ATOM 1352 CG PRO B 51 18.904 18.171 26.980 1.00 22.86 C ATOM 1353 CD PRO B 51 20.248 17.953 26.364 1.00 20.69 C ATOM 1354 N ALA B 52 21.264 21.638 26.388 1.00 19.90 N ATOM 1355 CA ALA B 52 21.954 22.927 26.559 1.00 21.11 C ATOM 1356 C ALA B 52 22.495 23.471 25.277 1.00 19.50 C ATOM 1357 O ALA B 52 23.108 24.534 25.249 1.00 20.98 O ATOM 1358 CB ALA B 52 23.053 22.785 27.636 1.00 21.68 C ATOM 1359 H ALA B 52 21.802 20.760 26.531 1.00 0.00 H ATOM 1360 N GLY B 53 22.221 22.781 24.164 1.00 18.89 N ATOM 1361 CA GLY B 53 22.622 23.137 22.832 1.00 19.81 C ATOM 1362 C GLY B 53 24.078 22.909 22.548 1.00 19.30 C ATOM 1363 O GLY B 53 24.574 23.423 21.513 1.00 21.24 O ATOM 1364 H GLY B 53 21.667 21.907 24.274 1.00 0.00 H ATOM 1365 N MET B 54 24.761 22.116 23.349 1.00 20.49 N ATOM 1366 CA MET B 54 26.198 21.850 23.047 1.00 22.49 C ATOM 1367 C MET B 54 26.206 20.706 21.973 1.00 21.41 C ATOM 1368 O MET B 54 25.477 19.721 22.128 1.00 20.07 O ATOM 1369 CB MET B 54 26.920 21.350 24.273 1.00 26.86 C ATOM 1370 CG MET B 54 26.930 22.431 25.347 1.00 36.26 C ATOM 1371 SD MET B 54 27.953 23.819 24.788 1.00 50.28 S ATOM 1372 CE MET B 54 29.416 22.966 24.429 1.00 42.72 C ATOM 1373 H MET B 54 24.306 21.683 24.178 1.00 0.00 H ATOM 1374 N ILE B 55 27.053 20.896 20.972 1.00 19.70 N ATOM 1375 CA ILE B 55 27.157 19.953 19.857 1.00 20.61 C ATOM 1376 C ILE B 55 28.361 19.064 20.045 1.00 19.82 C ATOM 1377 O ILE B 55 29.449 19.511 20.440 1.00 19.47 O ATOM 1378 CB ILE B 55 27.290 20.725 18.537 1.00 19.28 C ATOM 1379 CG1 ILE B 55 25.931 21.341 18.196 1.00 21.08 C ATOM 1380 CG2 ILE B 55 27.554 19.789 17.321 1.00 19.95 C ATOM 1381 CD1 ILE B 55 26.026 22.401 17.186 1.00 23.41 C ATOM 1382 H ILE B 55 27.662 21.739 20.979 1.00 0.00 H ATOM 1383 N PHE B 56 28.184 17.779 19.786 1.00 19.08 N ATOM 1384 CA PHE B 56 29.223 16.763 19.884 1.00 19.24 C ATOM 1385 C PHE B 56 29.245 15.930 18.678 1.00 18.62 C ATOM 1386 O PHE B 56 28.193 15.501 18.209 1.00 20.77 O ATOM 1387 CB PHE B 56 29.061 15.836 21.106 1.00 19.49 C ATOM 1388 CG PHE B 56 28.970 16.592 22.459 1.00 19.22 C ATOM 1389 CD1 PHE B 56 30.111 16.854 23.153 1.00 22.67 C ATOM 1390 CD2 PHE B 56 27.783 17.044 22.996 1.00 22.47 C ATOM 1391 CE1 PHE B 56 30.101 17.571 24.326 1.00 23.63 C ATOM 1392 CE2 PHE B 56 27.761 17.670 24.218 1.00 23.11 C ATOM 1393 CZ PHE B 56 28.925 17.856 24.902 1.00 25.06 C ATOM 1394 H PHE B 56 27.235 17.472 19.491 1.00 0.00 H ATOM 1395 N ARG B 57 30.447 15.542 18.268 1.00 18.59 N ATOM 1396 CA ARG B 57 30.552 14.463 17.225 1.00 18.43 C ATOM 1397 C ARG B 57 31.040 13.200 17.897 1.00 18.97 C ATOM 1398 O ARG B 57 32.205 13.189 18.346 1.00 18.32 O ATOM 1399 CB ARG B 57 31.442 14.969 16.076 1.00 18.68 C ATOM 1400 CG ARG B 57 31.772 13.949 15.049 1.00 18.91 C ATOM 1401 CD ARG B 57 32.403 14.462 13.850 1.00 20.57 C ATOM 1402 NE ARG B 57 33.810 14.914 14.204 1.00 20.93 N ATOM 1403 CZ ARG B 57 34.926 14.331 13.849 1.00 22.90 C ATOM 1404 NH1 ARG B 57 34.919 13.259 13.145 1.00 23.95 N ATOM 1405 NH2 ARG B 57 36.050 14.845 14.273 1.00 25.55 N ATOM 1406 HE ARG B 57 33.894 15.772 14.786 1.00 0.00 H ATOM 1407 HH12 ARG B 57 35.817 12.810 12.873 1.00 0.00 H ATOM 1408 HH11 ARG B 57 34.016 12.839 12.847 1.00 0.00 H ATOM 1409 HH22 ARG B 57 36.955 14.406 14.009 1.00 0.00 H ATOM 1410 HH21 ARG B 57 36.040 15.693 14.875 1.00 0.00 H ATOM 1411 H ARG B 57 31.305 15.978 18.663 1.00 0.00 H ATOM 1412 N VAL B 58 30.165 12.228 18.020 1.00 18.87 N ATOM 1413 CA VAL B 58 30.403 11.041 18.759 1.00 20.68 C ATOM 1414 C VAL B 58 30.641 9.831 17.885 1.00 18.49 C ATOM 1415 O VAL B 58 30.065 9.711 16.889 1.00 18.71 O ATOM 1416 CB VAL B 58 29.142 10.853 19.616 1.00 25.78 C ATOM 1417 CG1 VAL B 58 28.910 9.476 20.109 1.00 26.99 C ATOM 1418 CG2 VAL B 58 29.129 11.829 20.751 1.00 29.73 C ATOM 1419 H VAL B 58 29.244 12.335 17.548 1.00 0.00 H ATOM 1420 N TRP B 59 31.550 8.976 18.292 1.00 18.17 N ATOM 1421 CA TRP B 59 31.810 7.749 17.590 1.00 17.78 C ATOM 1422 C TRP B 59 31.430 6.652 18.580 1.00 19.07 C ATOM 1423 O TRP B 59 31.767 6.727 19.702 1.00 18.75 O ATOM 1424 CB TRP B 59 33.276 7.626 17.178 1.00 20.93 C ATOM 1425 CG TRP B 59 33.610 8.333 15.904 1.00 20.74 C ATOM 1426 CD1 TRP B 59 32.945 9.374 15.348 1.00 20.67 C ATOM 1427 CD2 TRP B 59 34.679 8.039 15.021 1.00 21.58 C ATOM 1428 NE1 TRP B 59 33.517 9.728 14.165 1.00 21.93 N ATOM 1429 CE2 TRP B 59 34.597 8.928 13.950 1.00 20.79 C ATOM 1430 CE3 TRP B 59 35.706 7.113 15.032 1.00 22.13 C ATOM 1431 CZ2 TRP B 59 35.507 8.909 12.922 1.00 22.11 C ATOM 1432 CZ3 TRP B 59 36.586 7.103 14.014 1.00 23.82 C ATOM 1433 CH2 TRP B 59 36.494 7.982 12.976 1.00 23.19 C ATOM 1434 HE1 TRP B 59 33.185 10.483 13.532 1.00 0.00 H ATOM 1435 H TRP B 59 32.099 9.193 19.148 1.00 0.00 H ATOM 1436 N CYS B 60 30.698 5.668 18.104 1.00 19.56 N ATOM 1437 CA CYS B 60 30.241 4.593 18.933 1.00 19.70 C ATOM 1438 C CYS B 60 31.209 3.433 18.922 1.00 18.37 C ATOM 1439 O CYS B 60 31.667 3.064 17.910 1.00 18.86 O ATOM 1440 CB CYS B 60 28.871 4.118 18.461 1.00 19.19 C ATOM 1441 SG CYS B 60 27.607 5.414 18.558 1.00 22.20 S ATOM 1442 H CYS B 60 30.444 5.671 17.096 1.00 0.00 H ATOM 1443 N PHE B 61 31.473 2.892 20.091 1.00 18.95 N ATOM 1444 CA PHE B 61 32.342 1.755 20.280 1.00 18.45 C ATOM 1445 C PHE B 61 31.625 0.706 21.145 1.00 18.96 C ATOM 1446 O PHE B 61 30.960 1.025 22.047 1.00 17.58 O ATOM 1447 CB PHE B 61 33.573 2.182 21.023 1.00 17.43 C ATOM 1448 CG PHE B 61 34.463 3.079 20.254 1.00 18.14 C ATOM 1449 CD1 PHE B 61 34.268 4.430 20.269 1.00 19.33 C ATOM 1450 CD2 PHE B 61 35.509 2.575 19.541 1.00 18.68 C ATOM 1451 CE1 PHE B 61 35.096 5.257 19.580 1.00 20.27 C ATOM 1452 CE2 PHE B 61 36.342 3.393 18.837 1.00 20.77 C ATOM 1453 CZ PHE B 61 36.147 4.738 18.869 1.00 19.70 C ATOM 1454 H PHE B 61 31.027 3.310 20.933 1.00 0.00 H ATOM 1455 N SER B 62 31.838 -0.550 20.864 1.00 20.18 N ATOM 1456 CA SER B 62 31.202 -1.577 21.637 1.00 20.25 C ATOM 1457 C SER B 62 31.709 -1.642 23.067 1.00 20.35 C ATOM 1458 O SER B 62 30.976 -1.873 23.982 1.00 20.83 O ATOM 1459 CB SER B 62 31.413 -2.911 20.962 1.00 22.51 C ATOM 1460 OG SER B 62 32.772 -3.153 20.805 1.00 25.01 O ATOM 1461 HG SER B 62 33.171 -2.438 20.248 1.00 0.00 H ATOM 1462 H SER B 62 32.470 -0.807 20.079 1.00 0.00 H ATOM 1463 N LEU B 63 32.995 -1.447 23.213 1.00 18.09 N ATOM 1464 CA LEU B 63 33.642 -1.474 24.493 1.00 18.98 C ATOM 1465 C LEU B 63 34.643 -0.364 24.616 1.00 18.77 C ATOM 1466 O LEU B 63 34.980 0.240 23.688 1.00 19.19 O ATOM 1467 CB LEU B 63 34.425 -2.788 24.702 1.00 20.03 C ATOM 1468 CG LEU B 63 33.797 -4.143 24.397 1.00 20.73 C ATOM 1469 CD1 LEU B 63 34.771 -5.279 24.509 1.00 23.43 C ATOM 1470 CD2 LEU B 63 32.601 -4.421 25.263 1.00 22.76 C ATOM 1471 H LEU B 63 33.571 -1.265 22.367 1.00 0.00 H ATOM 1472 N ALA B 64 35.058 -0.129 25.820 1.00 18.66 N ATOM 1473 CA ALA B 64 36.143 0.817 26.136 1.00 19.26 C ATOM 1474 C ALA B 64 36.803 0.395 27.419 1.00 21.99 C ATOM 1475 O ALA B 64 36.317 -0.530 28.142 1.00 22.97 O ATOM 1476 CB ALA B 64 35.604 2.234 26.300 1.00 20.75 C ATOM 1477 H ALA B 64 34.601 -0.635 26.606 1.00 0.00 H ATOM 1478 N GLN B 65 37.872 1.080 27.757 1.00 21.30 N ATOM 1479 CA GLN B 65 38.515 0.931 29.020 1.00 24.21 C ATOM 1480 C GLN B 65 39.153 2.192 29.448 1.00 24.86 C ATOM 1481 O GLN B 65 39.307 3.119 28.702 1.00 20.64 O ATOM 1482 CB GLN B 65 39.646 -0.112 28.890 1.00 27.22 C ATOM 1483 CG GLN B 65 40.708 0.258 27.854 1.00 29.73 C ATOM 1484 CD GLN B 65 41.629 -0.894 27.577 1.00 37.57 C ATOM 1485 OE1 GLN B 65 41.264 -1.853 26.934 1.00 41.46 O ATOM 1486 NE2 GLN B 65 42.786 -0.831 28.158 1.00 40.01 N ATOM 1487 HE22 GLN B 65 43.051 0.017 28.699 1.00 0.00 H ATOM 1488 HE21 GLN B 65 43.450 -1.628 28.083 1.00 0.00 H ATOM 1489 H GLN B 65 38.265 1.759 27.075 1.00 0.00 H ATOM 1490 N GLY B 66 39.521 2.217 30.754 1.00 24.02 N ATOM 1491 CA GLY B 66 40.235 3.371 31.316 1.00 24.42 C ATOM 1492 C GLY B 66 39.371 4.571 31.630 1.00 24.10 C ATOM 1493 O GLY B 66 39.922 5.601 31.965 1.00 24.16 O ATOM 1494 H GLY B 66 39.294 1.407 31.366 1.00 0.00 H ATOM 1495 N LEU B 67 38.065 4.482 31.486 1.00 20.83 N ATOM 1496 CA LEU B 67 37.158 5.536 31.840 1.00 21.96 C ATOM 1497 C LEU B 67 36.606 5.359 33.236 1.00 25.54 C ATOM 1498 O LEU B 67 36.857 4.307 33.864 1.00 23.22 O ATOM 1499 CB LEU B 67 35.960 5.501 30.844 1.00 20.14 C ATOM 1500 CG LEU B 67 36.341 5.687 29.385 1.00 19.72 C ATOM 1501 CD1 LEU B 67 35.268 5.173 28.466 1.00 19.32 C ATOM 1502 CD2 LEU B 67 36.694 7.107 29.011 1.00 19.03 C ATOM 1503 H LEU B 67 37.671 3.602 31.096 1.00 0.00 H ATOM 1504 N ARG B 68 36.086 6.426 33.790 1.00 22.79 N ATOM 1505 CA ARG B 68 35.260 6.426 34.976 1.00 25.55 C ATOM 1506 C ARG B 68 33.892 6.941 34.679 1.00 23.11 C ATOM 1507 O ARG B 68 33.739 8.073 34.191 1.00 23.56 O ATOM 1508 CB ARG B 68 35.982 7.220 36.054 1.00 28.63 C ATOM 1509 CG ARG B 68 35.274 7.313 37.338 1.00 33.10 C ATOM 1510 CD ARG B 68 35.375 5.937 38.029 1.00 39.70 C ATOM 1511 NE ARG B 68 34.665 5.996 39.309 1.00 42.68 N ATOM 1512 CZ ARG B 68 35.227 6.294 40.490 1.00 45.88 C ATOM 1513 NH1 ARG B 68 36.559 6.505 40.635 1.00 44.96 N ATOM 1514 NH2 ARG B 68 34.416 6.433 41.532 1.00 46.57 N ATOM 1515 HE ARG B 68 33.645 5.791 39.302 1.00 0.00 H ATOM 1516 HH12 ARG B 68 36.950 6.734 41.571 1.00 0.00 H ATOM 1517 HH11 ARG B 68 37.189 6.438 39.810 1.00 0.00 H ATOM 1518 HH22 ARG B 68 34.807 6.664 42.468 1.00 0.00 H ATOM 1519 HH21 ARG B 68 33.390 6.311 41.412 1.00 0.00 H ATOM 1520 H ARG B 68 36.283 7.344 33.342 1.00 0.00 H ATOM 1521 N LEU B 69 32.890 6.138 34.895 1.00 22.51 N ATOM 1522 CA LEU B 69 31.498 6.443 34.577 1.00 25.79 C ATOM 1523 C LEU B 69 30.930 7.028 35.843 1.00 28.04 C ATOM 1524 O LEU B 69 31.081 6.416 36.918 1.00 31.57 O ATOM 1525 CB LEU B 69 30.714 5.201 34.175 1.00 25.12 C ATOM 1526 CG LEU B 69 31.330 4.499 33.005 1.00 27.26 C ATOM 1527 CD1 LEU B 69 30.484 3.325 32.584 1.00 28.09 C ATOM 1528 CD2 LEU B 69 31.649 5.371 31.876 1.00 25.94 C ATOM 1529 H LEU B 69 33.096 5.214 35.325 1.00 0.00 H ATOM 1530 N ILE B 70 30.326 8.227 35.756 1.00 27.80 N ATOM 1531 CA ILE B 70 29.929 8.972 36.931 1.00 31.30 C ATOM 1532 C ILE B 70 28.400 9.157 36.992 1.00 34.98 C ATOM 1533 O ILE B 70 27.820 9.461 35.986 1.00 35.28 O ATOM 1534 CB ILE B 70 30.377 10.429 36.810 1.00 37.04 C ATOM 1535 CG1 ILE B 70 31.817 10.584 36.494 1.00 40.86 C ATOM 1536 CG2 ILE B 70 29.998 11.109 38.112 1.00 43.38 C ATOM 1537 CD1 ILE B 70 32.676 9.998 37.544 1.00 39.24 C ATOM 1538 H ILE B 70 30.139 8.630 34.816 1.00 0.00 H ATOM 1539 N GLY B 71 27.778 8.996 38.154 1.00 33.25 N ATOM 1540 CA GLY B 71 26.333 9.205 38.288 1.00 37.12 C ATOM 1541 C GLY B 71 25.511 7.949 38.094 1.00 33.84 C ATOM 1542 O GLY B 71 25.993 6.894 37.742 1.00 37.81 O ATOM 1543 H GLY B 71 28.329 8.715 38.990 1.00 0.00 H ATOM 1544 N ALA B 72 24.222 8.083 38.324 1.00 35.74 N ATOM 1545 CA ALA B 72 23.257 6.994 38.035 1.00 33.86 C ATOM 1546 C ALA B 72 22.888 7.139 36.566 1.00 30.14 C ATOM 1547 O ALA B 72 22.910 8.276 36.016 1.00 29.84 O ATOM 1548 CB ALA B 72 22.033 7.112 38.921 1.00 36.79 C ATOM 1549 H ALA B 72 23.870 8.978 38.720 1.00 0.00 H ATOM 1550 N PRO B 73 22.560 6.045 35.874 1.00 29.28 N ATOM 1551 CA PRO B 73 22.175 6.225 34.506 1.00 28.81 C ATOM 1552 C PRO B 73 20.881 7.054 34.347 1.00 30.64 C ATOM 1553 O PRO B 73 20.049 7.080 35.236 1.00 31.44 O ATOM 1554 CB PRO B 73 21.896 4.794 34.017 1.00 32.05 C ATOM 1555 CG PRO B 73 22.503 3.890 35.027 1.00 32.43 C ATOM 1556 CD PRO B 73 22.544 4.654 36.292 1.00 31.46 C ATOM 1557 N SER B 74 20.747 7.723 33.218 1.00 27.67 N ATOM 1558 CA SER B 74 19.621 8.628 32.959 1.00 26.41 C ATOM 1559 C SER B 74 19.119 8.300 31.585 1.00 28.20 C ATOM 1560 O SER B 74 19.916 8.135 30.654 1.00 26.58 O ATOM 1561 CB SER B 74 20.086 10.092 32.989 1.00 29.37 C ATOM 1562 OG SER B 74 18.991 10.952 32.595 1.00 31.17 O ATOM 1563 HG SER B 74 19.290 11.895 32.614 1.00 0.00 H ATOM 1564 H SER B 74 21.470 7.604 32.480 1.00 0.00 H ATOM 1565 N GLY B 75 17.772 8.216 31.456 1.00 28.20 N ATOM 1566 CA GLY B 75 17.164 8.095 30.177 1.00 29.59 C ATOM 1567 C GLY B 75 16.718 9.412 29.543 1.00 29.64 C ATOM 1568 O GLY B 75 16.289 9.432 28.361 1.00 32.18 O ATOM 1569 H GLY B 75 17.174 8.240 32.307 1.00 0.00 H ATOM 1570 N GLU B 76 16.944 10.507 30.206 1.00 29.79 N ATOM 1571 CA GLU B 76 16.493 11.841 29.717 1.00 33.78 C ATOM 1572 C GLU B 76 17.319 12.227 28.514 1.00 33.69 C ATOM 1573 O GLU B 76 18.556 12.304 28.611 1.00 30.27 O ATOM 1574 CB GLU B 76 16.594 12.902 30.833 1.00 43.11 C ATOM 1575 CG GLU B 76 15.308 13.820 30.986 1.00 52.27 C ATOM 1576 CD GLU B 76 15.036 14.168 32.431 1.00 57.47 C ATOM 1577 OE1 GLU B 76 14.144 13.527 33.081 1.00 55.50 O ATOM 1578 OE2 GLU B 76 15.815 15.004 32.916 1.00 68.71 O ATOM 1579 H GLU B 76 17.457 10.450 31.109 1.00 0.00 H ATOM 1580 N PHE B 77 16.652 12.527 27.395 1.00 25.37 N ATOM 1581 CA PHE B 77 17.261 13.056 26.188 1.00 26.76 C ATOM 1582 C PHE B 77 18.337 12.150 25.628 1.00 23.51 C ATOM 1583 O PHE B 77 19.228 12.595 24.911 1.00 22.48 O ATOM 1584 CB PHE B 77 17.850 14.407 26.438 1.00 31.58 C ATOM 1585 CG PHE B 77 16.904 15.370 27.086 1.00 35.76 C ATOM 1586 CD1 PHE B 77 15.758 15.722 26.412 1.00 39.03 C ATOM 1587 CD2 PHE B 77 17.085 15.791 28.395 1.00 41.55 C ATOM 1588 CE1 PHE B 77 14.800 16.560 26.994 1.00 44.65 C ATOM 1589 CE2 PHE B 77 16.146 16.701 28.956 1.00 37.31 C ATOM 1590 CZ PHE B 77 15.012 17.008 28.292 1.00 41.98 C ATOM 1591 H PHE B 77 15.624 12.370 27.389 1.00 0.00 H ATOM 1592 N SER B 78 18.209 10.833 25.832 1.00 23.25 N ATOM 1593 CA SER B 78 19.197 9.931 25.292 1.00 21.32 C ATOM 1594 C SER B 78 19.252 10.042 23.808 1.00 22.70 C ATOM 1595 O SER B 78 18.150 10.005 23.108 1.00 22.62 O ATOM 1596 CB SER B 78 18.787 8.479 25.594 1.00 22.41 C ATOM 1597 OG SER B 78 19.855 7.686 25.094 1.00 22.62 O ATOM 1598 HG SER B 78 19.658 6.729 25.255 1.00 0.00 H ATOM 1599 H SER B 78 17.403 10.463 26.376 1.00 0.00 H ATOM 1600 N TRP B 79 20.412 10.103 23.239 1.00 18.71 N ATOM 1601 CA TRP B 79 20.564 10.157 21.794 1.00 20.45 C ATOM 1602 C TRP B 79 20.321 8.806 21.150 1.00 21.89 C ATOM 1603 O TRP B 79 20.237 8.766 19.911 1.00 24.20 O ATOM 1604 CB TRP B 79 21.960 10.625 21.415 1.00 21.10 C ATOM 1605 CG TRP B 79 22.258 12.041 21.765 1.00 18.35 C ATOM 1606 CD1 TRP B 79 21.411 13.066 21.603 1.00 20.01 C ATOM 1607 CD2 TRP B 79 23.389 12.572 22.449 1.00 17.57 C ATOM 1608 NE1 TRP B 79 21.992 14.196 22.086 1.00 17.84 N ATOM 1609 CE2 TRP B 79 23.192 13.924 22.601 1.00 17.74 C ATOM 1610 CE3 TRP B 79 24.601 12.031 22.893 1.00 18.27 C ATOM 1611 CZ2 TRP B 79 24.133 14.784 23.143 1.00 19.30 C ATOM 1612 CZ3 TRP B 79 25.504 12.851 23.481 1.00 18.78 C ATOM 1613 CH2 TRP B 79 25.294 14.248 23.546 1.00 20.93 C ATOM 1614 HE1 TRP B 79 21.561 15.142 22.058 1.00 0.00 H ATOM 1615 H TRP B 79 21.264 10.114 23.835 1.00 0.00 H ATOM 1616 N PHE B 80 20.197 7.717 21.926 1.00 21.66 N ATOM 1617 CA PHE B 80 20.021 6.401 21.347 1.00 24.13 C ATOM 1618 C PHE B 80 18.829 5.819 22.034 1.00 24.85 C ATOM 1619 O PHE B 80 18.817 5.547 23.227 1.00 23.45 O ATOM 1620 CB PHE B 80 21.325 5.532 21.529 1.00 22.10 C ATOM 1621 CG PHE B 80 22.513 6.137 20.862 1.00 23.34 C ATOM 1622 CD1 PHE B 80 22.781 5.933 19.579 1.00 23.98 C ATOM 1623 CD2 PHE B 80 23.375 6.948 21.557 1.00 22.34 C ATOM 1624 CE1 PHE B 80 23.859 6.558 18.956 1.00 25.59 C ATOM 1625 CE2 PHE B 80 24.426 7.525 20.992 1.00 23.01 C ATOM 1626 CZ PHE B 80 24.676 7.355 19.640 1.00 24.18 C ATOM 1627 H PHE B 80 20.228 7.820 22.960 1.00 0.00 H ATOM 1628 N LYS B 81 17.789 5.629 21.226 1.00 28.35 N ATOM 1629 CA LYS B 81 16.478 5.277 21.824 1.00 30.57 C ATOM 1630 C LYS B 81 16.579 3.915 22.426 1.00 25.90 C ATOM 1631 O LYS B 81 17.284 3.018 21.917 1.00 28.49 O ATOM 1632 CB LYS B 81 15.448 5.360 20.660 1.00 34.63 C ATOM 1633 CG LYS B 81 14.059 5.039 21.096 1.00 38.05 C ATOM 1634 CD LYS B 81 13.037 5.376 19.975 1.00 44.16 C ATOM 1635 CE LYS B 81 12.014 4.224 19.809 1.00 51.75 C ATOM 1636 NZ LYS B 81 10.863 4.371 18.860 1.00 57.42 N ATOM 1637 HZ1 LYS B 81 10.281 5.184 19.146 1.00 0.00 H ATOM 1638 HZ2 LYS B 81 11.226 4.525 17.898 1.00 0.00 H ATOM 1639 HZ3 LYS B 81 10.286 3.506 18.880 1.00 0.00 H ATOM 1640 H LYS B 81 17.893 5.725 20.196 1.00 0.00 H ATOM 1641 N GLY B 82 16.061 3.776 23.615 1.00 26.01 N ATOM 1642 CA GLY B 82 16.112 2.519 24.368 1.00 26.66 C ATOM 1643 C GLY B 82 17.265 2.395 25.322 1.00 27.22 C ATOM 1644 O GLY B 82 17.353 1.407 25.943 1.00 25.24 O ATOM 1645 H GLY B 82 15.590 4.595 24.049 1.00 0.00 H ATOM 1646 N TYR B 83 18.178 3.379 25.380 1.00 23.34 N ATOM 1647 CA TYR B 83 19.296 3.308 26.247 1.00 23.49 C ATOM 1648 C TYR B 83 19.266 4.441 27.251 1.00 23.77 C ATOM 1649 O TYR B 83 18.888 5.548 26.908 1.00 23.79 O ATOM 1650 CB TYR B 83 20.618 3.436 25.438 1.00 22.60 C ATOM 1651 CG TYR B 83 20.840 2.214 24.555 1.00 22.64 C ATOM 1652 CD1 TYR B 83 21.498 1.107 24.993 1.00 22.53 C ATOM 1653 CD2 TYR B 83 20.291 2.174 23.234 1.00 22.76 C ATOM 1654 CE1 TYR B 83 21.738 0.035 24.159 1.00 23.77 C ATOM 1655 CE2 TYR B 83 20.473 1.122 22.381 1.00 23.62 C ATOM 1656 CZ TYR B 83 21.200 0.008 22.845 1.00 26.90 C ATOM 1657 OH TYR B 83 21.374 -1.100 22.022 1.00 27.33 O ATOM 1658 HH TYR B 83 21.904 -1.785 22.501 1.00 0.00 H ATOM 1659 H TYR B 83 18.061 4.215 24.772 1.00 0.00 H ATOM 1660 N ASP B 84 19.863 4.203 28.397 1.00 24.25 N ATOM 1661 CA ASP B 84 20.163 5.203 29.394 1.00 24.39 C ATOM 1662 C ASP B 84 21.681 5.501 29.268 1.00 25.09 C ATOM 1663 O ASP B 84 22.436 4.618 28.957 1.00 26.99 O ATOM 1664 CB ASP B 84 19.904 4.708 30.794 1.00 26.66 C ATOM 1665 CG ASP B 84 18.479 4.744 31.219 1.00 35.49 C ATOM 1666 OD1 ASP B 84 17.602 4.839 30.338 1.00 31.68 O ATOM 1667 OD2 ASP B 84 18.339 4.615 32.527 1.00 36.86 O ATOM 1668 H ASP B 84 20.140 3.222 28.601 1.00 0.00 H ATOM 1669 N TRP B 85 22.057 6.660 29.648 1.00 23.14 N ATOM 1670 CA TRP B 85 23.442 7.097 29.566 1.00 22.56 C ATOM 1671 C TRP B 85 24.019 7.509 30.920 1.00 22.88 C ATOM 1672 O TRP B 85 23.299 7.988 31.856 1.00 22.71 O ATOM 1673 CB TRP B 85 23.568 8.315 28.630 1.00 22.67 C ATOM 1674 CG TRP B 85 22.714 9.464 28.895 1.00 23.46 C ATOM 1675 CD1 TRP B 85 21.470 9.698 28.344 1.00 25.01 C ATOM 1676 CD2 TRP B 85 22.924 10.536 29.803 1.00 23.94 C ATOM 1677 NE1 TRP B 85 20.900 10.772 28.878 1.00 22.83 N ATOM 1678 CE2 TRP B 85 21.801 11.393 29.698 1.00 23.26 C ATOM 1679 CE3 TRP B 85 24.005 10.923 30.621 1.00 24.33 C ATOM 1680 CZ2 TRP B 85 21.667 12.542 30.459 1.00 22.36 C ATOM 1681 CZ3 TRP B 85 23.857 12.126 31.342 1.00 25.66 C ATOM 1682 CH2 TRP B 85 22.662 12.894 31.241 1.00 25.21 C ATOM 1683 HE1 TRP B 85 19.926 11.090 28.701 1.00 0.00 H ATOM 1684 H TRP B 85 21.347 7.316 30.030 1.00 0.00 H ATOM 1685 N THR B 86 25.365 7.382 30.984 1.00 21.59 N ATOM 1686 CA THR B 86 26.146 7.898 32.128 1.00 21.58 C ATOM 1687 C THR B 86 27.373 8.633 31.540 1.00 21.19 C ATOM 1688 O THR B 86 27.910 8.197 30.537 1.00 23.20 O ATOM 1689 CB THR B 86 26.698 6.776 33.048 1.00 21.79 C ATOM 1690 OG1 THR B 86 27.353 5.837 32.220 1.00 21.09 O ATOM 1691 CG2 THR B 86 25.612 6.132 33.953 1.00 21.24 C ATOM 1692 HG1 THR B 86 28.092 6.284 31.736 1.00 0.00 H ATOM 1693 H THR B 86 25.865 6.907 30.205 1.00 0.00 H ATOM 1694 N ILE B 87 27.762 9.740 32.137 1.00 19.56 N ATOM 1695 CA ILE B 87 28.902 10.467 31.683 1.00 22.42 C ATOM 1696 C ILE B 87 30.215 9.673 31.872 1.00 23.62 C ATOM 1697 O ILE B 87 30.363 9.055 32.909 1.00 22.58 O ATOM 1698 CB ILE B 87 29.028 11.775 32.451 1.00 26.44 C ATOM 1699 CG1 ILE B 87 27.869 12.682 32.035 1.00 29.85 C ATOM 1700 CG2 ILE B 87 30.318 12.537 32.140 1.00 27.31 C ATOM 1701 CD1 ILE B 87 27.693 13.926 32.926 1.00 32.07 C ATOM 1702 H ILE B 87 27.227 10.092 32.957 1.00 0.00 H ATOM 1703 N ALA B 88 31.078 9.704 30.889 1.00 21.87 N ATOM 1704 CA ALA B 88 32.369 8.931 30.923 1.00 21.94 C ATOM 1705 C ALA B 88 33.518 9.909 30.925 1.00 23.16 C ATOM 1706 O ALA B 88 33.675 10.667 29.967 1.00 22.64 O ATOM 1707 CB ALA B 88 32.426 8.026 29.722 1.00 21.83 C ATOM 1708 H ALA B 88 30.864 10.284 30.053 1.00 0.00 H ATOM 1709 N LEU B 89 34.298 9.885 31.988 1.00 22.03 N ATOM 1710 CA LEU B 89 35.564 10.600 32.077 1.00 23.84 C ATOM 1711 C LEU B 89 36.732 9.686 31.896 1.00 24.44 C ATOM 1712 O LEU B 89 36.659 8.502 32.196 1.00 24.10 O ATOM 1713 CB LEU B 89 35.770 11.320 33.401 1.00 24.26 C ATOM 1714 CG LEU B 89 34.573 12.143 33.908 1.00 25.37 C ATOM 1715 CD1 LEU B 89 34.796 12.701 35.275 1.00 28.29 C ATOM 1716 CD2 LEU B 89 34.215 13.191 32.886 1.00 25.40 C ATOM 1717 H LEU B 89 33.992 9.324 32.809 1.00 0.00 H ATOM 1718 N CYS B 90 37.769 10.209 31.326 1.00 21.60 N ATOM 1719 CA CYS B 90 39.102 9.556 31.453 1.00 23.85 C ATOM 1720 C CYS B 90 39.397 9.260 32.920 1.00 24.68 C ATOM 1721 O CYS B 90 39.376 10.144 33.753 1.00 22.55 O ATOM 1722 CB CYS B 90 40.217 10.396 30.787 1.00 26.93 C ATOM 1723 SG CYS B 90 41.794 9.474 30.900 1.00 25.12 S ATOM 1724 H CYS B 90 37.672 11.087 30.778 1.00 0.00 H ATOM 1725 N GLY B 91 39.627 7.984 33.263 1.00 23.12 N ATOM 1726 CA GLY B 91 39.909 7.656 34.652 1.00 24.33 C ATOM 1727 C GLY B 91 41.260 8.137 35.108 1.00 25.21 C ATOM 1728 O GLY B 91 41.505 8.261 36.279 1.00 26.92 O ATOM 1729 H GLY B 91 39.604 7.235 32.542 1.00 0.00 H ATOM 1730 N GLN B 92 42.137 8.407 34.153 1.00 24.87 N ATOM 1731 CA GLN B 92 43.537 8.777 34.455 1.00 27.44 C ATOM 1732 C GLN B 92 43.646 10.264 34.627 1.00 26.09 C ATOM 1733 O GLN B 92 44.173 10.726 35.644 1.00 28.97 O ATOM 1734 CB GLN B 92 44.485 8.238 33.347 1.00 26.59 C ATOM 1735 CG GLN B 92 45.917 8.325 33.777 1.00 30.38 C ATOM 1736 CD GLN B 92 46.762 7.338 32.988 1.00 30.22 C ATOM 1737 OE1 GLN B 92 46.971 6.188 33.460 1.00 28.73 O ATOM 1738 NE2 GLN B 92 47.142 7.753 31.757 1.00 27.81 N ATOM 1739 HE22 GLN B 92 46.929 8.722 31.446 1.00 0.00 H ATOM 1740 HE21 GLN B 92 47.647 7.103 31.122 1.00 0.00 H ATOM 1741 H GLN B 92 41.832 8.357 33.160 1.00 0.00 H ATOM 1742 N CYS B 93 43.063 11.045 33.753 1.00 26.04 N ATOM 1743 CA CYS B 93 43.183 12.525 33.829 1.00 27.26 C ATOM 1744 C CYS B 93 41.913 13.315 34.043 1.00 29.05 C ATOM 1745 O CYS B 93 41.951 14.505 34.227 1.00 27.78 O ATOM 1746 CB CYS B 93 43.836 13.093 32.551 1.00 28.90 C ATOM 1747 SG CYS B 93 42.859 13.076 31.039 1.00 28.50 S ATOM 1748 H CYS B 93 42.502 10.620 32.987 1.00 0.00 H ATOM 1749 N GLY B 94 40.780 12.696 33.932 1.00 26.04 N ATOM 1750 CA GLY B 94 39.486 13.372 34.118 1.00 26.81 C ATOM 1751 C GLY B 94 38.841 14.053 32.920 1.00 25.31 C ATOM 1752 O GLY B 94 37.735 14.594 33.047 1.00 25.32 O ATOM 1753 H GLY B 94 40.785 11.682 33.702 1.00 0.00 H ATOM 1754 N SER B 95 39.487 14.003 31.754 1.00 26.31 N ATOM 1755 CA SER B 95 38.883 14.578 30.491 1.00 25.73 C ATOM 1756 C SER B 95 37.519 13.985 30.174 1.00 24.74 C ATOM 1757 O SER B 95 37.361 12.753 30.327 1.00 23.23 O ATOM 1758 CB SER B 95 39.859 14.421 29.355 1.00 27.10 C ATOM 1759 OG SER B 95 39.299 14.941 28.145 1.00 29.08 O ATOM 1760 HG SER B 95 39.093 15.902 28.265 1.00 0.00 H ATOM 1761 H SER B 95 40.427 13.559 31.712 1.00 0.00 H ATOM 1762 N HIS B 96 36.533 14.831 29.811 1.00 24.63 N ATOM 1763 CA HIS B 96 35.203 14.324 29.475 1.00 22.66 C ATOM 1764 C HIS B 96 35.269 13.676 28.085 1.00 23.14 C ATOM 1765 O HIS B 96 35.382 14.390 27.085 1.00 23.70 O ATOM 1766 CB HIS B 96 34.078 15.359 29.590 1.00 25.18 C ATOM 1767 CG HIS B 96 32.757 14.848 29.088 1.00 24.95 C ATOM 1768 ND1 HIS B 96 31.834 15.641 28.388 1.00 24.83 N ATOM 1769 CD2 HIS B 96 32.250 13.581 29.081 1.00 23.99 C ATOM 1770 CE1 HIS B 96 30.794 14.900 28.054 1.00 26.18 C ATOM 1771 NE2 HIS B 96 30.987 13.645 28.471 1.00 24.53 N ATOM 1772 H HIS B 96 36.720 15.853 29.770 1.00 0.00 H ATOM 1773 N LEU B 97 35.245 12.338 28.023 1.00 20.72 N ATOM 1774 CA LEU B 97 35.417 11.622 26.775 1.00 19.69 C ATOM 1775 C LEU B 97 34.154 11.151 26.098 1.00 19.62 C ATOM 1776 O LEU B 97 34.216 10.828 24.932 1.00 19.45 O ATOM 1777 CB LEU B 97 36.396 10.461 26.940 1.00 19.87 C ATOM 1778 CG LEU B 97 37.862 10.811 27.303 1.00 20.79 C ATOM 1779 CD1 LEU B 97 38.744 9.585 27.239 1.00 22.58 C ATOM 1780 CD2 LEU B 97 38.430 11.900 26.472 1.00 21.88 C ATOM 1781 H LEU B 97 35.098 11.796 28.898 1.00 0.00 H ATOM 1782 N GLY B 98 33.050 11.048 26.781 1.00 19.02 N ATOM 1783 CA GLY B 98 31.765 10.752 26.179 1.00 20.12 C ATOM 1784 C GLY B 98 30.807 10.223 27.207 1.00 18.78 C ATOM 1785 O GLY B 98 30.656 10.781 28.284 1.00 18.94 O ATOM 1786 H GLY B 98 33.092 11.185 27.811 1.00 0.00 H ATOM 1787 N TRP B 99 30.131 9.136 26.815 1.00 17.59 N ATOM 1788 CA TRP B 99 29.068 8.540 27.605 1.00 17.61 C ATOM 1789 C TRP B 99 29.045 7.085 27.441 1.00 17.10 C ATOM 1790 O TRP B 99 29.458 6.572 26.368 1.00 19.23 O ATOM 1791 CB TRP B 99 27.696 9.055 27.205 1.00 18.21 C ATOM 1792 CG TRP B 99 27.563 10.589 27.312 1.00 20.16 C ATOM 1793 CD1 TRP B 99 27.058 11.253 28.359 1.00 21.72 C ATOM 1794 CD2 TRP B 99 28.007 11.555 26.374 1.00 20.69 C ATOM 1795 NE1 TRP B 99 27.109 12.589 28.122 1.00 22.36 N ATOM 1796 CE2 TRP B 99 27.730 12.839 26.945 1.00 20.85 C ATOM 1797 CE3 TRP B 99 28.589 11.495 25.096 1.00 22.88 C ATOM 1798 CZ2 TRP B 99 28.004 14.025 26.270 1.00 22.78 C ATOM 1799 CZ3 TRP B 99 28.944 12.746 24.463 1.00 21.11 C ATOM 1800 CH2 TRP B 99 28.654 13.932 25.072 1.00 20.21 C ATOM 1801 HE1 TRP B 99 26.725 13.318 28.756 1.00 0.00 H ATOM 1802 H TRP B 99 30.378 8.699 25.904 1.00 0.00 H ATOM 1803 N HIS B 100 28.556 6.374 28.469 1.00 19.25 N ATOM 1804 CA HIS B 100 28.278 4.992 28.318 1.00 18.36 C ATOM 1805 C HIS B 100 26.755 4.812 28.292 1.00 19.04 C ATOM 1806 O HIS B 100 26.069 5.443 29.048 1.00 21.37 O ATOM 1807 CB HIS B 100 28.853 4.200 29.558 1.00 20.63 C ATOM 1808 CG HIS B 100 28.712 2.726 29.403 1.00 21.28 C ATOM 1809 ND1 HIS B 100 28.181 1.889 30.382 1.00 23.33 N ATOM 1810 CD2 HIS B 100 29.175 1.928 28.430 1.00 21.26 C ATOM 1811 CE1 HIS B 100 28.175 0.661 29.898 1.00 23.34 C ATOM 1812 NE2 HIS B 100 28.818 0.669 28.739 1.00 23.15 N ATOM 1813 H HIS B 100 28.380 6.840 29.382 1.00 0.00 H ATOM 1814 N TYR B 101 26.304 3.860 27.504 1.00 18.39 N ATOM 1815 CA TYR B 101 24.916 3.565 27.233 1.00 18.73 C ATOM 1816 C TYR B 101 24.631 2.203 27.730 1.00 21.59 C ATOM 1817 O TYR B 101 25.390 1.308 27.529 1.00 22.61 O ATOM 1818 CB TYR B 101 24.588 3.728 25.725 1.00 19.13 C ATOM 1819 CG TYR B 101 24.616 5.169 25.305 1.00 18.27 C ATOM 1820 CD1 TYR B 101 23.511 5.972 25.475 1.00 18.78 C ATOM 1821 CD2 TYR B 101 25.771 5.755 24.822 1.00 18.34 C ATOM 1822 CE1 TYR B 101 23.607 7.348 25.166 1.00 17.86 C ATOM 1823 CE2 TYR B 101 25.864 7.116 24.556 1.00 17.12 C ATOM 1824 CZ TYR B 101 24.792 7.887 24.700 1.00 19.12 C ATOM 1825 OH TYR B 101 24.859 9.190 24.424 1.00 20.34 O ATOM 1826 HH TYR B 101 23.976 9.606 24.586 1.00 0.00 H ATOM 1827 H TYR B 101 27.013 3.264 27.032 1.00 0.00 H ATOM 1828 N GLU B 102 23.424 2.045 28.357 1.00 22.57 N ATOM 1829 CA GLU B 102 23.104 0.757 28.926 1.00 23.15 C ATOM 1830 C GLU B 102 21.574 0.636 28.852 1.00 24.36 C ATOM 1831 O GLU B 102 20.885 1.556 28.640 1.00 22.61 O ATOM 1832 CB GLU B 102 23.495 0.640 30.417 1.00 25.80 C ATOM 1833 H GLU B 102 22.752 2.836 28.422 1.00 0.00 H ATOM 1834 N GLY B 103 21.176 -0.588 29.037 1.00 27.18 N ATOM 1835 CA GLY B 103 19.726 -0.867 29.303 1.00 28.07 C ATOM 1836 C GLY B 103 18.989 -1.173 28.064 1.00 31.15 C ATOM 1837 O GLY B 103 17.775 -1.420 28.144 1.00 31.92 O ATOM 1838 H GLY B 103 21.860 -1.371 29.001 1.00 0.00 H ATOM 1839 N GLY B 104 19.666 -1.313 26.932 1.00 29.74 N ATOM 1840 CA GLY B 104 19.024 -1.711 25.672 1.00 32.48 C ATOM 1841 C GLY B 104 19.139 -3.167 25.322 1.00 34.50 C ATOM 1842 O GLY B 104 19.372 -3.989 26.192 1.00 33.03 O ATOM 1843 H GLY B 104 20.691 -1.134 26.937 1.00 0.00 H ATOM 1844 N SER B 105 19.093 -3.461 24.026 1.00 35.62 N ATOM 1845 CA SER B 105 19.246 -4.848 23.529 1.00 38.62 C ATOM 1846 C SER B 105 19.999 -4.787 22.259 1.00 36.66 C ATOM 1847 O SER B 105 19.771 -3.900 21.458 1.00 37.85 O ATOM 1848 CB SER B 105 17.871 -5.506 23.229 1.00 42.59 C ATOM 1849 OG SER B 105 17.174 -4.705 22.237 1.00 46.64 O ATOM 1850 HG SER B 105 17.714 -4.664 21.409 1.00 0.00 H ATOM 1851 H SER B 105 18.945 -2.693 23.340 1.00 0.00 H ATOM 1852 N GLN B 106 20.940 -5.712 22.093 1.00 33.38 N ATOM 1853 CA GLN B 106 21.639 -5.897 20.834 1.00 36.97 C ATOM 1854 C GLN B 106 22.286 -4.605 20.324 1.00 34.74 C ATOM 1855 O GLN B 106 22.045 -4.209 19.213 1.00 32.99 O ATOM 1856 CB GLN B 106 20.706 -6.514 19.778 1.00 40.46 C ATOM 1857 CG GLN B 106 19.902 -7.640 20.329 1.00 42.40 C ATOM 1858 CD GLN B 106 19.211 -8.435 19.254 1.00 48.95 C ATOM 1859 OE1 GLN B 106 18.070 -8.759 19.415 1.00 49.28 O ATOM 1860 NE2 GLN B 106 19.908 -8.703 18.125 1.00 51.05 N ATOM 1861 HE22 GLN B 106 20.898 -8.397 18.040 1.00 0.00 H ATOM 1862 HE21 GLN B 106 19.453 -9.215 17.342 1.00 0.00 H ATOM 1863 H GLN B 106 21.185 -6.326 22.896 1.00 0.00 H ATOM 1864 N PRO B 107 23.237 -4.060 21.088 1.00 29.50 N ATOM 1865 CA PRO B 107 23.800 -4.587 22.281 1.00 28.39 C ATOM 1866 C PRO B 107 23.146 -4.071 23.502 1.00 27.79 C ATOM 1867 O PRO B 107 22.436 -3.025 23.449 1.00 30.71 O ATOM 1868 CB PRO B 107 25.251 -4.073 22.218 1.00 28.87 C ATOM 1869 CG PRO B 107 25.156 -2.767 21.564 1.00 27.48 C ATOM 1870 CD PRO B 107 24.035 -2.909 20.536 1.00 31.36 C ATOM 1871 N GLN B 108 23.394 -4.678 24.624 1.00 25.23 N ATOM 1872 CA GLN B 108 22.839 -4.105 25.835 1.00 26.29 C ATOM 1873 C GLN B 108 23.540 -2.851 26.232 1.00 25.67 C ATOM 1874 O GLN B 108 22.913 -1.988 26.849 1.00 23.92 O ATOM 1875 CB GLN B 108 22.942 -5.086 27.020 1.00 30.80 C ATOM 1876 CG GLN B 108 21.941 -6.257 26.822 1.00 37.14 C ATOM 1877 CD GLN B 108 22.111 -7.291 27.873 1.00 42.64 C ATOM 1878 OE1 GLN B 108 22.260 -6.962 29.093 1.00 50.33 O ATOM 1879 NE2 GLN B 108 22.117 -8.546 27.437 1.00 52.69 N ATOM 1880 HE22 GLN B 108 21.989 -8.745 26.424 1.00 0.00 H ATOM 1881 HE21 GLN B 108 22.249 -9.329 28.108 1.00 0.00 H ATOM 1882 H GLN B 108 23.970 -5.544 24.652 1.00 0.00 H ATOM 1883 N THR B 109 24.850 -2.813 25.981 1.00 23.33 N ATOM 1884 CA THR B 109 25.680 -1.584 26.361 1.00 24.27 C ATOM 1885 C THR B 109 26.659 -1.231 25.283 1.00 23.45 C ATOM 1886 O THR B 109 26.979 -2.039 24.413 1.00 23.85 O ATOM 1887 CB THR B 109 26.498 -1.852 27.645 1.00 25.60 C ATOM 1888 OG1 THR B 109 27.490 -2.759 27.341 1.00 25.56 O ATOM 1889 CG2 THR B 109 25.599 -2.412 28.818 1.00 28.75 C ATOM 1890 HG1 THR B 109 28.075 -2.383 26.636 1.00 0.00 H ATOM 1891 H THR B 109 25.311 -3.625 25.523 1.00 0.00 H ATOM 1892 N PHE B 110 27.047 0.037 25.227 1.00 21.44 N ATOM 1893 CA PHE B 110 28.073 0.525 24.269 1.00 19.37 C ATOM 1894 C PHE B 110 28.442 1.955 24.732 1.00 20.80 C ATOM 1895 O PHE B 110 27.831 2.532 25.629 1.00 20.57 O ATOM 1896 CB PHE B 110 27.558 0.558 22.798 1.00 20.00 C ATOM 1897 CG PHE B 110 26.453 1.602 22.559 1.00 19.93 C ATOM 1898 CD1 PHE B 110 25.108 1.287 22.812 1.00 21.44 C ATOM 1899 CD2 PHE B 110 26.755 2.816 22.002 1.00 19.56 C ATOM 1900 CE1 PHE B 110 24.102 2.231 22.606 1.00 22.18 C ATOM 1901 CE2 PHE B 110 25.765 3.743 21.801 1.00 20.47 C ATOM 1902 CZ PHE B 110 24.435 3.455 22.081 1.00 21.47 C ATOM 1903 H PHE B 110 26.614 0.719 25.882 1.00 0.00 H ATOM 1904 N PHE B 111 29.459 2.506 24.077 1.00 17.98 N ATOM 1905 CA PHE B 111 29.975 3.855 24.420 1.00 16.99 C ATOM 1906 C PHE B 111 29.822 4.764 23.241 1.00 16.64 C ATOM 1907 O PHE B 111 29.926 4.355 22.094 1.00 18.70 O ATOM 1908 CB PHE B 111 31.521 3.763 24.670 1.00 16.37 C ATOM 1909 CG PHE B 111 31.862 3.152 25.979 1.00 17.41 C ATOM 1910 CD1 PHE B 111 31.944 1.780 26.068 1.00 19.91 C ATOM 1911 CD2 PHE B 111 31.972 3.914 27.113 1.00 17.05 C ATOM 1912 CE1 PHE B 111 32.280 1.179 27.306 1.00 21.10 C ATOM 1913 CE2 PHE B 111 32.200 3.333 28.330 1.00 20.57 C ATOM 1914 CZ PHE B 111 32.425 1.960 28.421 1.00 20.05 C ATOM 1915 H PHE B 111 29.906 1.977 23.302 1.00 0.00 H ATOM 1916 N GLY B 112 29.529 6.017 23.527 1.00 16.59 N ATOM 1917 CA GLY B 112 29.593 7.069 22.511 1.00 17.40 C ATOM 1918 C GLY B 112 30.704 8.060 23.001 1.00 16.74 C ATOM 1919 O GLY B 112 30.564 8.706 24.057 1.00 17.59 O ATOM 1920 H GLY B 112 29.246 6.264 24.497 1.00 0.00 H ATOM 1921 N LEU B 113 31.812 8.043 22.289 1.00 16.44 N ATOM 1922 CA LEU B 113 33.025 8.799 22.703 1.00 17.04 C ATOM 1923 C LEU B 113 33.146 9.993 21.728 1.00 19.24 C ATOM 1924 O LEU B 113 32.901 9.895 20.568 1.00 19.24 O ATOM 1925 CB LEU B 113 34.245 7.978 22.645 1.00 18.38 C ATOM 1926 CG LEU B 113 34.163 6.732 23.544 1.00 18.66 C ATOM 1927 CD1 LEU B 113 35.449 5.918 23.559 1.00 20.80 C ATOM 1928 CD2 LEU B 113 33.808 7.077 24.965 1.00 20.24 C ATOM 1929 H LEU B 113 31.840 7.485 21.412 1.00 0.00 H ATOM 1930 N ILE B 114 33.584 11.099 22.262 1.00 18.37 N ATOM 1931 CA ILE B 114 33.778 12.317 21.519 1.00 18.65 C ATOM 1932 C ILE B 114 35.044 12.276 20.713 1.00 19.77 C ATOM 1933 O ILE B 114 36.161 12.226 21.275 1.00 19.05 O ATOM 1934 CB ILE B 114 33.806 13.480 22.490 1.00 19.81 C ATOM 1935 CG1 ILE B 114 32.462 13.573 23.288 1.00 19.27 C ATOM 1936 CG2 ILE B 114 34.015 14.841 21.732 1.00 21.31 C ATOM 1937 CD1 ILE B 114 32.618 14.438 24.521 1.00 19.87 C ATOM 1938 H ILE B 114 33.805 11.102 23.278 1.00 0.00 H ATOM 1939 N LYS B 115 34.902 12.178 19.376 1.00 20.59 N ATOM 1940 CA LYS B 115 36.013 11.872 18.539 1.00 21.77 C ATOM 1941 C LYS B 115 37.161 12.860 18.665 1.00 23.04 C ATOM 1942 O LYS B 115 38.317 12.421 18.766 1.00 20.83 O ATOM 1943 CB LYS B 115 35.567 11.821 17.062 1.00 22.68 C ATOM 1944 CG LYS B 115 36.700 11.662 16.010 1.00 23.21 C ATOM 1945 CD LYS B 115 37.415 10.357 16.026 1.00 21.84 C ATOM 1946 CE LYS B 115 38.309 10.157 14.802 1.00 24.83 C ATOM 1947 NZ LYS B 115 39.288 11.208 14.644 1.00 25.51 N ATOM 1948 HZ1 LYS B 115 38.801 12.120 14.536 1.00 0.00 H ATOM 1949 HZ2 LYS B 115 39.901 11.238 15.484 1.00 0.00 H ATOM 1950 HZ3 LYS B 115 39.864 11.019 13.799 1.00 0.00 H ATOM 1951 H LYS B 115 33.966 12.328 18.949 1.00 0.00 H ATOM 1952 N ASP B 116 36.868 14.121 18.852 1.00 21.83 N ATOM 1953 CA ASP B 116 37.874 15.195 18.986 1.00 23.29 C ATOM 1954 C ASP B 116 38.709 15.133 20.193 1.00 24.57 C ATOM 1955 O ASP B 116 39.707 15.805 20.316 1.00 22.81 O ATOM 1956 CB ASP B 116 37.140 16.566 19.016 1.00 23.73 C ATOM 1957 CG ASP B 116 36.760 17.039 17.650 1.00 25.03 C ATOM 1958 OD1 ASP B 116 37.221 16.436 16.657 1.00 24.99 O ATOM 1959 OD2 ASP B 116 35.989 18.032 17.495 1.00 29.52 O ATOM 1960 H ASP B 116 35.864 14.384 18.910 1.00 0.00 H ATOM 1961 N ARG B 117 38.235 14.359 21.155 1.00 22.66 N ATOM 1962 CA ARG B 117 38.941 14.193 22.439 1.00 22.21 C ATOM 1963 C ARG B 117 39.777 12.993 22.537 1.00 19.05 C ATOM 1964 O ARG B 117 40.293 12.722 23.585 1.00 20.96 O ATOM 1965 CB ARG B 117 37.916 14.268 23.594 1.00 27.15 C ATOM 1966 CG ARG B 117 37.149 15.583 23.529 1.00 31.81 C ATOM 1967 CD ARG B 117 36.844 16.298 24.772 1.00 37.39 C ATOM 1968 NE ARG B 117 35.752 17.241 24.375 1.00 46.14 N ATOM 1969 CZ ARG B 117 34.698 17.595 25.104 1.00 47.70 C ATOM 1970 NH1 ARG B 117 34.489 17.030 26.309 1.00 37.54 N ATOM 1971 NH2 ARG B 117 33.804 18.451 24.543 1.00 47.37 N ATOM 1972 HE ARG B 117 35.825 17.665 23.428 1.00 0.00 H ATOM 1973 HH12 ARG B 117 33.664 17.308 26.878 1.00 0.00 H ATOM 1974 HH11 ARG B 117 35.153 16.316 26.671 1.00 0.00 H ATOM 1975 HH22 ARG B 117 32.966 18.753 25.080 1.00 0.00 H ATOM 1976 HH21 ARG B 117 33.958 18.804 23.577 1.00 0.00 H ATOM 1977 H ARG B 117 37.339 13.853 21.002 1.00 0.00 H ATOM 1978 N LEU B 118 39.864 12.262 21.462 1.00 19.63 N ATOM 1979 CA LEU B 118 40.657 11.063 21.344 1.00 20.25 C ATOM 1980 C LEU B 118 41.756 11.261 20.283 1.00 21.84 C ATOM 1981 O LEU B 118 41.634 12.071 19.437 1.00 20.66 O ATOM 1982 CB LEU B 118 39.807 9.891 20.883 1.00 20.10 C ATOM 1983 CG LEU B 118 38.593 9.525 21.706 1.00 19.80 C ATOM 1984 CD1 LEU B 118 37.686 8.545 20.991 1.00 21.20 C ATOM 1985 CD2 LEU B 118 39.054 9.010 23.046 1.00 21.52 C ATOM 1986 H LEU B 118 39.322 12.565 20.628 1.00 0.00 H ATOM 1987 N ALA B 119 42.821 10.473 20.384 1.00 21.74 N ATOM 1988 CA ALA B 119 43.931 10.558 19.442 1.00 22.20 C ATOM 1989 C ALA B 119 44.315 9.178 18.919 1.00 21.24 C ATOM 1990 O ALA B 119 44.966 8.399 19.614 1.00 24.89 O ATOM 1991 CB ALA B 119 45.129 11.233 20.093 1.00 25.83 C ATOM 1992 H ALA B 119 42.864 9.777 21.156 1.00 0.00 H ATOM 1993 N GLU B 120 43.907 8.883 17.689 1.00 20.23 N ATOM 1994 CA GLU B 120 44.205 7.597 17.070 1.00 21.45 C ATOM 1995 C GLU B 120 45.706 7.399 16.886 1.00 23.60 C ATOM 1996 O GLU B 120 46.433 8.343 16.576 1.00 21.07 O ATOM 1997 CB GLU B 120 43.490 7.472 15.723 1.00 22.71 C ATOM 1998 CG GLU B 120 43.373 6.045 15.214 1.00 25.60 C ATOM 1999 CD GLU B 120 42.200 5.857 14.272 1.00 25.31 C ATOM 2000 OE1 GLU B 120 41.661 6.871 13.781 1.00 30.02 O ATOM 2001 OE2 GLU B 120 41.817 4.694 14.023 1.00 30.27 O ATOM 2002 H GLU B 120 43.361 9.588 17.154 1.00 0.00 H ATOM 2003 N GLY B 121 46.162 6.166 17.079 1.00 25.48 N ATOM 2004 CA GLY B 121 47.569 5.840 16.936 1.00 29.93 C ATOM 2005 C GLY B 121 47.824 4.347 17.000 1.00 35.04 C ATOM 2006 O GLY B 121 46.946 3.581 17.394 1.00 28.14 O ATOM 2007 H GLY B 121 45.492 5.414 17.340 1.00 0.00 H ATOM 2008 N PRO B 122 49.036 3.924 16.611 1.00 34.81 N ATOM 2009 CA PRO B 122 49.381 2.515 16.634 1.00 38.16 C ATOM 2010 C PRO B 122 49.335 1.916 18.033 1.00 40.08 C ATOM 2011 O PRO B 122 49.544 2.615 19.036 1.00 35.81 O ATOM 2012 CB PRO B 122 50.848 2.479 16.096 1.00 41.58 C ATOM 2013 CG PRO B 122 51.341 3.900 16.125 1.00 42.27 C ATOM 2014 CD PRO B 122 50.112 4.810 16.142 1.00 39.45 C ATOM 2015 N ALA B 123 48.923 0.666 18.072 1.00 42.79 N ATOM 2016 CA ALA B 123 48.832 -0.074 19.313 1.00 49.29 C ATOM 2017 C ALA B 123 50.205 -0.202 19.990 1.00 55.56 C ATOM 2018 O ALA B 123 51.199 -0.180 19.260 1.00 55.75 O ATOM 2019 CB ALA B 123 48.249 -1.457 18.984 1.00 54.00 C ATOM 2020 H ALA B 123 48.655 0.196 17.184 1.00 0.00 H TER 2021 ALA B 123 ATOM 2022 N GLY C 18 23.641 11.184 -13.653 1.00 52.82 N ATOM 2023 CA GLY C 18 23.426 11.104 -12.210 1.00 56.86 C ATOM 2024 C GLY C 18 23.842 9.784 -11.576 1.00 58.26 C ATOM 2025 O GLY C 18 24.449 9.753 -10.522 1.00 53.69 O ATOM 2026 HN3 GLY C 18 23.093 10.437 -14.126 1.00 0.00 H ATOM 2027 HN2 GLY C 18 24.652 11.057 -13.859 1.00 0.00 H ATOM 2028 HN1 GLY C 18 23.330 12.115 -13.998 1.00 0.00 H ATOM 2029 N ALA C 19 23.467 8.694 -12.227 1.00 57.89 N ATOM 2030 CA ALA C 19 23.808 7.359 -11.792 1.00 59.77 C ATOM 2031 C ALA C 19 24.462 6.610 -12.922 1.00 53.63 C ATOM 2032 O ALA C 19 23.959 5.640 -13.354 1.00 54.01 O ATOM 2033 CB ALA C 19 22.579 6.599 -11.324 1.00 62.14 C ATOM 2034 H ALA C 19 22.900 8.804 -13.092 1.00 0.00 H ATOM 2035 N SER C 20 25.570 7.095 -13.430 1.00 50.11 N ATOM 2036 CA SER C 20 26.243 6.385 -14.488 1.00 46.53 C ATOM 2037 C SER C 20 27.515 5.658 -14.003 1.00 42.25 C ATOM 2038 O SER C 20 27.884 4.693 -14.596 1.00 36.78 O ATOM 2039 CB SER C 20 26.580 7.313 -15.622 1.00 48.95 C ATOM 2040 OG SER C 20 25.415 7.929 -16.070 1.00 57.10 O ATOM 2041 HG SER C 20 25.633 8.541 -16.817 1.00 0.00 H ATOM 2042 H SER C 20 25.961 7.989 -13.070 1.00 0.00 H ATOM 2043 N ILE C 21 28.182 6.148 -12.957 1.00 38.69 N ATOM 2044 CA ILE C 21 29.416 5.416 -12.489 1.00 37.79 C ATOM 2045 C ILE C 21 29.189 5.035 -11.051 1.00 36.96 C ATOM 2046 O ILE C 21 28.456 5.777 -10.264 1.00 35.83 O ATOM 2047 CB ILE C 21 30.690 6.242 -12.636 1.00 39.81 C ATOM 2048 CG1 ILE C 21 30.994 6.578 -14.108 1.00 43.29 C ATOM 2049 CG2 ILE C 21 31.881 5.642 -11.951 1.00 38.94 C ATOM 2050 CD1 ILE C 21 31.038 5.408 -15.018 1.00 44.11 C ATOM 2051 H ILE C 21 27.860 7.012 -12.476 1.00 0.00 H ATOM 2052 N PHE C 22 29.661 3.827 -10.750 1.00 34.79 N ATOM 2053 CA PHE C 22 29.402 3.211 -9.451 1.00 34.53 C ATOM 2054 C PHE C 22 30.731 3.053 -8.795 1.00 34.33 C ATOM 2055 O PHE C 22 31.632 2.440 -9.389 1.00 30.13 O ATOM 2056 CB PHE C 22 28.739 1.837 -9.585 1.00 35.21 C ATOM 2057 CG PHE C 22 27.334 1.933 -10.129 1.00 40.51 C ATOM 2058 CD1 PHE C 22 27.136 2.115 -11.542 1.00 42.27 C ATOM 2059 CD2 PHE C 22 26.238 2.020 -9.272 1.00 45.11 C ATOM 2060 CE1 PHE C 22 25.881 2.334 -12.055 1.00 43.67 C ATOM 2061 CE2 PHE C 22 24.974 2.227 -9.800 1.00 46.74 C ATOM 2062 CZ PHE C 22 24.805 2.407 -11.189 1.00 44.39 C ATOM 2063 H PHE C 22 30.226 3.311 -11.454 1.00 0.00 H ATOM 2064 N ARG C 23 30.813 3.400 -7.502 1.00 35.43 N ATOM 2065 CA ARG C 23 32.066 3.276 -6.804 1.00 36.90 C ATOM 2066 C ARG C 23 31.968 2.855 -5.384 1.00 36.21 C ATOM 2067 O ARG C 23 30.912 2.926 -4.836 1.00 35.35 O ATOM 2068 CB ARG C 23 32.810 4.605 -6.934 1.00 40.29 C ATOM 2069 CG ARG C 23 32.169 5.832 -6.410 1.00 48.74 C ATOM 2070 CD ARG C 23 33.010 7.074 -6.861 1.00 52.63 C ATOM 2071 NE ARG C 23 32.963 7.362 -8.302 1.00 55.39 N ATOM 2072 CZ ARG C 23 33.953 7.247 -9.153 1.00 51.55 C ATOM 2073 NH1 ARG C 23 35.132 6.709 -8.792 1.00 55.25 N ATOM 2074 NH2 ARG C 23 33.758 7.639 -10.396 1.00 51.10 N ATOM 2075 HE ARG C 23 32.053 7.690 -8.684 1.00 0.00 H ATOM 2076 HH12 ARG C 23 35.902 6.629 -9.487 1.00 0.00 H ATOM 2077 HH11 ARG C 23 35.274 6.373 -7.818 1.00 0.00 H ATOM 2078 HH22 ARG C 23 34.526 7.559 -11.093 1.00 0.00 H ATOM 2079 HH21 ARG C 23 32.836 8.028 -10.680 1.00 0.00 H ATOM 2080 H ARG C 23 29.973 3.758 -7.004 1.00 0.00 H ATOM 2081 N CYS C 24 33.049 2.372 -4.814 1.00 33.64 N ATOM 2082 CA CYS C 24 33.107 2.052 -3.410 1.00 32.57 C ATOM 2083 C CYS C 24 32.668 3.273 -2.510 1.00 33.29 C ATOM 2084 O CYS C 24 33.225 4.314 -2.601 1.00 36.08 O ATOM 2085 CB CYS C 24 34.545 1.653 -3.020 1.00 32.71 C ATOM 2086 SG CYS C 24 34.649 1.160 -1.230 1.00 31.36 S ATOM 2087 H CYS C 24 33.895 2.215 -5.398 1.00 0.00 H ATOM 2088 N ARG C 25 31.749 3.058 -1.629 1.00 37.97 N ATOM 2089 CA ARG C 25 31.233 4.088 -0.687 1.00 40.96 C ATOM 2090 C ARG C 25 32.287 4.486 0.321 1.00 42.33 C ATOM 2091 O ARG C 25 32.269 5.621 0.786 1.00 43.55 O ATOM 2092 CB ARG C 25 30.014 3.561 0.044 1.00 46.10 C ATOM 2093 CG ARG C 25 29.588 4.169 1.341 1.00 53.24 C ATOM 2094 CD ARG C 25 28.245 3.557 1.701 1.00 56.08 C ATOM 2095 NE ARG C 25 27.846 3.862 3.076 1.00 62.81 N ATOM 2096 CZ ARG C 25 26.626 3.673 3.590 1.00 64.35 C ATOM 2097 NH1 ARG C 25 25.614 3.215 2.866 1.00 65.00 N ATOM 2098 NH2 ARG C 25 26.400 3.997 4.844 1.00 67.44 N ATOM 2099 HE ARG C 25 28.572 4.259 3.706 1.00 0.00 H ATOM 2100 HH12 ARG C 25 24.680 3.082 3.304 1.00 0.00 H ATOM 2101 HH11 ARG C 25 25.754 2.989 1.861 1.00 0.00 H ATOM 2102 HH22 ARG C 25 25.456 3.855 5.256 1.00 0.00 H ATOM 2103 HH21 ARG C 25 27.166 4.395 5.424 1.00 0.00 H ATOM 2104 H ARG C 25 31.343 2.102 -1.574 1.00 0.00 H ATOM 2105 N GLN C 26 33.169 3.592 0.667 1.00 39.98 N ATOM 2106 CA GLN C 26 34.153 3.869 1.775 1.00 43.76 C ATOM 2107 C GLN C 26 35.352 4.651 1.317 1.00 42.61 C ATOM 2108 O GLN C 26 35.894 5.475 2.061 1.00 45.41 O ATOM 2109 CB GLN C 26 34.631 2.584 2.402 1.00 46.49 C ATOM 2110 CG GLN C 26 33.537 1.753 3.002 1.00 51.48 C ATOM 2111 CD GLN C 26 32.824 2.503 4.155 1.00 57.33 C ATOM 2112 OE1 GLN C 26 31.563 2.504 4.264 1.00 55.90 O ATOM 2113 NE2 GLN C 26 33.623 3.172 4.999 1.00 56.86 N ATOM 2114 HE22 GLN C 26 34.655 3.143 4.871 1.00 0.00 H ATOM 2115 HE21 GLN C 26 33.211 3.720 5.781 1.00 0.00 H ATOM 2116 H GLN C 26 33.195 2.677 0.173 1.00 0.00 H ATOM 2117 N CYS C 27 35.813 4.381 0.086 1.00 39.29 N ATOM 2118 CA CYS C 27 37.010 5.051 -0.379 1.00 37.12 C ATOM 2119 C CYS C 27 36.925 5.656 -1.791 1.00 32.63 C ATOM 2120 O CYS C 27 37.871 6.259 -2.215 1.00 38.46 O ATOM 2121 CB CYS C 27 38.137 4.028 -0.324 1.00 35.67 C ATOM 2122 SG CYS C 27 38.089 2.871 -1.745 1.00 31.66 S ATOM 2123 H CYS C 27 35.318 3.701 -0.525 1.00 0.00 H ATOM 2124 N GLY C 28 35.855 5.411 -2.520 1.00 30.32 N ATOM 2125 CA GLY C 28 35.685 5.941 -3.879 1.00 32.11 C ATOM 2126 C GLY C 28 36.186 5.235 -5.149 1.00 31.80 C ATOM 2127 H GLY C 28 35.101 4.819 -2.117 1.00 0.00 H ATOM 2128 N GLN C 29 36.806 4.074 -4.816 1.00 31.39 N ATOM 2129 CA GLN C 29 37.356 3.214 -5.932 1.00 30.30 C ATOM 2130 C GLN C 29 36.318 3.033 -7.015 1.00 30.36 C ATOM 2131 O GLN C 29 35.172 2.673 -6.697 1.00 30.97 O ATOM 2132 CB GLN C 29 37.709 1.833 -5.386 1.00 29.13 C ATOM 2133 CG GLN C 29 38.124 0.799 -6.435 1.00 29.87 C ATOM 2134 CD GLN C 29 39.599 0.769 -6.748 1.00 33.67 C ATOM 2135 OE1 GLN C 29 40.141 1.788 -6.994 1.00 36.96 O ATOM 2136 NE2 GLN C 29 40.259 -0.405 -6.756 1.00 34.79 N ATOM 2137 HE22 GLN C 29 39.754 -1.287 -6.535 1.00 0.00 H ATOM 2138 HE21 GLN C 29 41.274 -0.430 -6.983 1.00 0.00 H ATOM 2139 H GLN C 29 36.900 3.784 -3.822 1.00 0.00 H ATOM 2140 N THR C 30 36.667 3.301 -8.275 1.00 31.08 N ATOM 2141 CA THR C 30 35.765 3.056 -9.394 1.00 32.49 C ATOM 2142 C THR C 30 35.523 1.585 -9.543 1.00 30.51 C ATOM 2143 O THR C 30 36.499 0.781 -9.544 1.00 28.89 O ATOM 2144 CB THR C 30 36.350 3.616 -10.725 1.00 35.42 C ATOM 2145 OG1 THR C 30 36.645 5.020 -10.544 1.00 41.70 O ATOM 2146 CG2 THR C 30 35.386 3.466 -11.829 1.00 37.37 C ATOM 2147 HG1 THR C 30 37.018 5.389 -11.384 1.00 0.00 H ATOM 2148 H THR C 30 37.610 3.696 -8.464 1.00 0.00 H ATOM 2149 N ILE C 31 34.253 1.186 -9.622 1.00 31.28 N ATOM 2150 CA ILE C 31 33.930 -0.253 -9.710 1.00 32.51 C ATOM 2151 C ILE C 31 33.226 -0.610 -11.010 1.00 33.03 C ATOM 2152 O ILE C 31 33.644 -1.571 -11.728 1.00 32.78 O ATOM 2153 CB ILE C 31 33.092 -0.772 -8.546 1.00 33.07 C ATOM 2154 CG1 ILE C 31 33.792 -0.450 -7.193 1.00 35.06 C ATOM 2155 CG2 ILE C 31 32.872 -2.310 -8.665 1.00 34.12 C ATOM 2156 CD1 ILE C 31 35.105 -1.159 -6.954 1.00 33.57 C ATOM 2157 H ILE C 31 33.488 1.890 -9.622 1.00 0.00 H ATOM 2158 N SER C 32 32.166 0.120 -11.355 1.00 32.57 N ATOM 2159 CA SER C 32 31.455 -0.243 -12.596 1.00 31.15 C ATOM 2160 C SER C 32 30.692 0.926 -13.160 1.00 31.52 C ATOM 2161 O SER C 32 30.839 2.082 -12.667 1.00 32.47 O ATOM 2162 CB SER C 32 30.662 -1.469 -12.410 1.00 32.81 C ATOM 2163 OG SER C 32 30.238 -2.040 -13.666 1.00 31.89 O ATOM 2164 HG SER C 32 31.034 -2.267 -14.209 1.00 0.00 H ATOM 2165 H SER C 32 31.850 0.919 -10.769 1.00 0.00 H ATOM 2166 N ARG C 33 29.876 0.651 -14.182 1.00 33.86 N ATOM 2167 CA ARG C 33 29.283 1.687 -15.005 1.00 40.32 C ATOM 2168 C ARG C 33 27.915 1.226 -15.400 1.00 39.89 C ATOM 2169 O ARG C 33 27.687 0.027 -15.649 1.00 36.23 O ATOM 2170 CB ARG C 33 30.076 1.788 -16.375 1.00 47.29 C ATOM 2171 CG ARG C 33 31.576 1.997 -16.434 1.00 55.27 C ATOM 2172 CD ARG C 33 31.944 3.158 -17.415 1.00 61.64 C ATOM 2173 NE ARG C 33 32.858 2.808 -18.470 1.00 73.03 N ATOM 2174 CZ ARG C 33 32.536 2.598 -19.757 1.00 78.75 C ATOM 2175 NH1 ARG C 33 31.263 2.668 -20.196 1.00 81.96 N ATOM 2176 NH2 ARG C 33 33.515 2.294 -20.628 1.00 74.22 N ATOM 2177 HE ARG C 33 33.861 2.708 -18.212 1.00 0.00 H ATOM 2178 HH12 ARG C 33 31.049 2.500 -21.200 1.00 0.00 H ATOM 2179 HH11 ARG C 33 30.495 2.890 -19.531 1.00 0.00 H ATOM 2180 HH22 ARG C 33 33.287 2.128 -21.629 1.00 0.00 H ATOM 2181 HH21 ARG C 33 34.500 2.225 -20.300 1.00 0.00 H ATOM 2182 H ARG C 33 29.658 -0.343 -14.395 1.00 0.00 H ATOM 2183 N ARG C 34 27.027 2.192 -15.582 1.00 38.95 N ATOM 2184 CA ARG C 34 25.665 1.841 -15.987 1.00 44.29 C ATOM 2185 C ARG C 34 25.616 1.166 -17.339 1.00 41.62 C ATOM 2186 O ARG C 34 24.785 0.346 -17.564 1.00 41.72 O ATOM 2187 CB ARG C 34 24.765 3.087 -15.958 1.00 47.88 C ATOM 2188 CG ARG C 34 23.286 2.732 -16.222 1.00 54.80 C ATOM 2189 CD ARG C 34 22.306 3.842 -15.850 1.00 60.67 C ATOM 2190 NE ARG C 34 22.199 3.952 -14.395 1.00 61.73 N ATOM 2191 CZ ARG C 34 21.235 3.441 -13.615 1.00 66.85 C ATOM 2192 NH1 ARG C 34 20.186 2.719 -14.068 1.00 66.28 N ATOM 2193 NH2 ARG C 34 21.314 3.689 -12.318 1.00 64.73 N ATOM 2194 HE ARG C 34 22.952 4.484 -13.914 1.00 0.00 H ATOM 2195 HH12 ARG C 34 19.477 2.356 -13.399 1.00 0.00 H ATOM 2196 HH11 ARG C 34 20.088 2.527 -15.085 1.00 0.00 H ATOM 2197 HH22 ARG C 34 20.590 3.314 -11.672 1.00 0.00 H ATOM 2198 HH21 ARG C 34 22.100 4.259 -11.944 1.00 0.00 H ATOM 2199 H ARG C 34 27.294 3.187 -15.439 1.00 0.00 H ATOM 2200 N ASP C 35 26.539 1.497 -18.244 1.00 44.64 N ATOM 2201 CA ASP C 35 26.742 0.851 -19.587 1.00 45.60 C ATOM 2202 C ASP C 35 26.723 -0.725 -19.403 1.00 45.84 C ATOM 2203 O ASP C 35 26.267 -1.467 -20.274 1.00 42.34 O ATOM 2204 CB ASP C 35 28.132 1.395 -20.051 1.00 54.77 C ATOM 2205 CG ASP C 35 28.549 0.999 -21.424 1.00 65.75 C ATOM 2206 OD1 ASP C 35 27.655 0.882 -22.281 1.00 77.30 O ATOM 2207 OD2 ASP C 35 29.815 0.873 -21.641 1.00 72.21 O ATOM 2208 H ASP C 35 27.180 2.277 -17.997 1.00 0.00 H ATOM 2209 N TRP C 36 27.281 -1.175 -18.271 1.00 40.23 N ATOM 2210 CA TRP C 36 27.479 -2.615 -18.019 1.00 42.87 C ATOM 2211 C TRP C 36 26.396 -3.220 -17.114 1.00 42.95 C ATOM 2212 O TRP C 36 26.440 -4.395 -16.741 1.00 39.61 O ATOM 2213 CB TRP C 36 28.845 -2.841 -17.342 1.00 43.39 C ATOM 2214 CG TRP C 36 30.004 -2.361 -18.123 1.00 45.37 C ATOM 2215 CD1 TRP C 36 30.053 -2.220 -19.477 1.00 50.29 C ATOM 2216 CD2 TRP C 36 31.272 -1.897 -17.640 1.00 50.02 C ATOM 2217 NE1 TRP C 36 31.319 -1.814 -19.875 1.00 49.46 N ATOM 2218 CE2 TRP C 36 32.071 -1.607 -18.762 1.00 50.70 C ATOM 2219 CE3 TRP C 36 31.879 -1.904 -16.385 1.00 52.05 C ATOM 2220 CZ2 TRP C 36 33.410 -1.217 -18.645 1.00 54.95 C ATOM 2221 CZ3 TRP C 36 33.215 -1.542 -16.269 1.00 51.46 C ATOM 2222 CH2 TRP C 36 33.949 -1.174 -17.386 1.00 52.55 C ATOM 2223 HE1 TRP C 36 31.638 -1.689 -20.857 1.00 0.00 H ATOM 2224 H TRP C 36 27.583 -0.490 -17.549 1.00 0.00 H ATOM 2225 N LEU C 37 25.419 -2.413 -16.781 1.00 42.37 N ATOM 2226 CA LEU C 37 24.462 -2.731 -15.716 1.00 51.41 C ATOM 2227 C LEU C 37 23.391 -3.520 -16.389 1.00 50.06 C ATOM 2228 O LEU C 37 22.781 -3.055 -17.391 1.00 50.70 O ATOM 2229 CB LEU C 37 23.838 -1.463 -15.132 1.00 50.46 C ATOM 2230 CG LEU C 37 22.729 -1.521 -14.082 1.00 55.20 C ATOM 2231 CD1 LEU C 37 23.098 -2.448 -12.915 1.00 53.63 C ATOM 2232 CD2 LEU C 37 22.449 -0.102 -13.593 1.00 57.82 C ATOM 2233 H LEU C 37 25.318 -1.512 -17.291 1.00 0.00 H ATOM 2234 N LEU C 38 23.101 -4.664 -15.809 1.00 49.92 N ATOM 2235 CA LEU C 38 22.180 -5.607 -16.438 1.00 52.71 C ATOM 2236 C LEU C 38 20.770 -5.444 -15.907 1.00 51.89 C ATOM 2237 O LEU C 38 20.515 -5.760 -14.748 1.00 48.75 O ATOM 2238 CB LEU C 38 22.656 -7.016 -16.244 1.00 53.78 C ATOM 2239 CG LEU C 38 23.967 -7.249 -16.991 1.00 52.25 C ATOM 2240 CD1 LEU C 38 24.457 -8.699 -16.831 1.00 53.89 C ATOM 2241 CD2 LEU C 38 23.851 -6.893 -18.475 1.00 51.94 C ATOM 2242 H LEU C 38 23.532 -4.900 -14.892 1.00 0.00 H ATOM 2243 N PRO C 39 19.855 -4.900 -16.732 1.00 52.72 N ATOM 2244 CA PRO C 39 18.476 -4.834 -16.261 1.00 55.18 C ATOM 2245 C PRO C 39 17.692 -6.179 -16.131 1.00 54.65 C ATOM 2246 O PRO C 39 18.067 -7.106 -16.826 1.00 52.92 O ATOM 2247 CB PRO C 39 17.801 -4.052 -17.389 1.00 58.16 C ATOM 2248 CG PRO C 39 18.617 -4.345 -18.637 1.00 55.97 C ATOM 2249 CD PRO C 39 20.008 -4.389 -18.112 1.00 54.08 C ATOM 2250 N MET C 40 16.645 -6.241 -15.302 1.00 56.64 N ATOM 2251 CA MET C 40 15.689 -7.404 -15.339 1.00 55.70 C ATOM 2252 C MET C 40 14.372 -6.731 -15.385 1.00 55.29 C ATOM 2253 O MET C 40 14.008 -6.091 -14.402 1.00 54.87 O ATOM 2254 CB MET C 40 15.824 -8.294 -14.062 1.00 59.91 C ATOM 2255 CG MET C 40 15.060 -9.597 -14.107 1.00 64.08 C ATOM 2256 SD MET C 40 14.916 -10.530 -12.531 1.00 72.54 S ATOM 2257 CE MET C 40 16.390 -11.578 -12.739 1.00 70.36 C ATOM 2258 H MET C 40 16.488 -5.472 -14.619 1.00 0.00 H ATOM 2259 N GLY C 41 13.592 -6.936 -16.492 1.00 53.99 N ATOM 2260 CA GLY C 41 12.306 -6.186 -16.739 1.00 51.65 C ATOM 2261 C GLY C 41 12.561 -4.658 -16.541 1.00 53.68 C ATOM 2262 O GLY C 41 13.484 -4.004 -17.148 1.00 51.56 O ATOM 2263 H GLY C 41 13.900 -7.640 -17.193 1.00 0.00 H ATOM 2264 N GLY C 42 11.850 -4.105 -15.588 1.00 55.14 N ATOM 2265 CA GLY C 42 11.904 -2.655 -15.284 1.00 57.51 C ATOM 2266 C GLY C 42 12.768 -2.304 -14.089 1.00 60.23 C ATOM 2267 O GLY C 42 12.668 -1.174 -13.593 1.00 63.50 O ATOM 2268 H GLY C 42 11.221 -4.709 -15.021 1.00 0.00 H ATOM 2269 N ASP C 43 13.567 -3.267 -13.574 1.00 63.56 N ATOM 2270 CA ASP C 43 14.437 -3.136 -12.400 1.00 63.16 C ATOM 2271 C ASP C 43 15.911 -3.189 -12.748 1.00 64.42 C ATOM 2272 O ASP C 43 16.369 -4.087 -13.436 1.00 62.95 O ATOM 2273 CB ASP C 43 14.170 -4.271 -11.370 1.00 63.18 C ATOM 2274 CG ASP C 43 12.722 -4.319 -10.890 1.00 65.66 C ATOM 2275 OD1 ASP C 43 12.025 -3.278 -10.977 1.00 63.84 O ATOM 2276 OD2 ASP C 43 12.236 -5.418 -10.433 1.00 66.82 O ATOM 2277 H ASP C 43 13.564 -4.188 -14.057 1.00 0.00 H ATOM 2278 N HIS C 44 16.584 -2.098 -12.428 1.00 63.92 N ATOM 2279 CA HIS C 44 18.033 -2.135 -12.426 1.00 64.10 C ATOM 2280 C HIS C 44 18.557 -2.667 -11.105 1.00 58.97 C ATOM 2281 O HIS C 44 19.652 -3.091 -11.047 1.00 59.31 O ATOM 2282 CB HIS C 44 18.632 -0.751 -12.783 1.00 70.92 C ATOM 2283 CG HIS C 44 18.428 -0.393 -14.236 1.00 79.59 C ATOM 2284 ND1 HIS C 44 17.588 0.627 -14.647 1.00 86.71 N ATOM 2285 CD2 HIS C 44 18.936 -0.945 -15.373 1.00 80.39 C ATOM 2286 CE1 HIS C 44 17.572 0.673 -15.970 1.00 88.78 C ATOM 2287 NE2 HIS C 44 18.384 -0.264 -16.434 1.00 88.06 N ATOM 2288 H HIS C 44 16.080 -1.223 -12.180 1.00 0.00 H ATOM 2289 N GLU C 45 17.769 -2.623 -10.048 1.00 57.75 N ATOM 2290 CA GLU C 45 18.109 -3.144 -8.723 1.00 56.49 C ATOM 2291 C GLU C 45 17.257 -4.396 -8.516 1.00 58.86 C ATOM 2292 O GLU C 45 16.033 -4.416 -8.817 1.00 57.15 O ATOM 2293 CB GLU C 45 17.666 -2.110 -7.686 1.00 60.51 C ATOM 2294 CG GLU C 45 18.372 -0.807 -7.793 1.00 61.57 C ATOM 2295 CD GLU C 45 17.866 0.297 -6.888 1.00 64.39 C ATOM 2296 OE1 GLU C 45 17.195 0.058 -5.809 1.00 68.38 O ATOM 2297 OE2 GLU C 45 18.220 1.433 -7.280 1.00 62.62 O ATOM 2298 H GLU C 45 16.833 -2.184 -10.165 1.00 0.00 H ATOM 2299 N HIS C 46 17.817 -5.395 -7.815 1.00 58.06 N ATOM 2300 CA HIS C 46 17.056 -6.579 -7.329 1.00 58.44 C ATOM 2301 C HIS C 46 17.068 -6.633 -5.795 1.00 58.98 C ATOM 2302 O HIS C 46 18.187 -6.581 -5.202 1.00 52.68 O ATOM 2303 CB HIS C 46 17.784 -7.743 -7.900 1.00 56.53 C ATOM 2304 H HIS C 46 18.833 -5.339 -7.601 1.00 0.00 H ATOM 2305 N VAL C 47 15.879 -6.765 -5.180 1.00 58.30 N ATOM 2306 CA VAL C 47 15.738 -6.803 -3.724 1.00 61.73 C ATOM 2307 C VAL C 47 15.912 -8.270 -3.296 1.00 64.13 C ATOM 2308 O VAL C 47 15.264 -9.161 -3.865 1.00 66.69 O ATOM 2309 CB VAL C 47 14.285 -6.374 -3.281 1.00 64.47 C ATOM 2310 CG1 VAL C 47 14.162 -6.344 -1.760 1.00 66.29 C ATOM 2311 CG2 VAL C 47 13.861 -5.039 -3.834 1.00 63.72 C ATOM 2312 H VAL C 47 15.023 -6.843 -5.765 1.00 0.00 H ATOM 2313 N VAL C 48 16.830 -8.490 -2.365 1.00 65.28 N ATOM 2314 CA VAL C 48 17.178 -9.818 -1.910 1.00 68.05 C ATOM 2315 C VAL C 48 17.322 -9.786 -0.402 1.00 71.36 C ATOM 2316 O VAL C 48 17.517 -8.701 0.179 1.00 64.37 O ATOM 2317 CB VAL C 48 18.477 -10.356 -2.581 1.00 64.88 C ATOM 2318 CG1 VAL C 48 18.231 -10.493 -4.085 1.00 63.51 C ATOM 2319 CG2 VAL C 48 19.666 -9.474 -2.340 1.00 61.95 C ATOM 2320 H VAL C 48 17.320 -7.674 -1.945 1.00 0.00 H ATOM 2321 N PHE C 49 17.227 -10.964 0.240 1.00 76.92 N ATOM 2322 CA PHE C 49 17.543 -11.025 1.676 1.00 78.19 C ATOM 2323 C PHE C 49 18.700 -12.023 1.958 1.00 75.38 C ATOM 2324 O PHE C 49 18.707 -13.115 1.391 1.00 71.83 O ATOM 2325 CB PHE C 49 16.255 -11.261 2.419 1.00 84.69 C ATOM 2326 CG PHE C 49 15.087 -10.560 1.824 1.00 87.84 C ATOM 2327 CD1 PHE C 49 14.412 -11.058 0.686 1.00 89.87 C ATOM 2328 CD2 PHE C 49 14.675 -9.370 2.368 1.00 91.26 C ATOM 2329 CE1 PHE C 49 13.354 -10.359 0.125 1.00 92.14 C ATOM 2330 CE2 PHE C 49 13.581 -8.678 1.835 1.00 94.78 C ATOM 2331 CZ PHE C 49 12.914 -9.171 0.709 1.00 94.32 C ATOM 2332 H PHE C 49 16.934 -11.821 -0.272 1.00 0.00 H ATOM 2333 N ASN C 50 19.683 -11.560 2.749 1.00 74.92 N ATOM 2334 CA ASN C 50 20.670 -12.526 3.257 1.00 73.70 C ATOM 2335 C ASN C 50 19.944 -13.587 4.107 1.00 77.33 C ATOM 2336 O ASN C 50 18.708 -13.502 4.360 1.00 77.85 O ATOM 2337 CB ASN C 50 21.881 -11.844 3.918 1.00 70.29 C ATOM 2338 CG ASN C 50 21.571 -11.234 5.250 1.00 70.44 C ATOM 2339 OD1 ASN C 50 20.518 -11.542 5.853 1.00 73.80 O ATOM 2340 ND2 ASN C 50 22.380 -10.240 5.654 1.00 69.10 N ATOM 2341 HD22 ASN C 50 23.244 -10.023 5.118 1.00 0.00 H ATOM 2342 HD21 ASN C 50 22.142 -9.688 6.503 1.00 0.00 H ATOM 2343 H ASN C 50 19.744 -10.551 2.994 1.00 0.00 H ATOM 2344 N PRO C 51 20.698 -14.647 4.501 1.00 79.99 N ATOM 2345 CA PRO C 51 19.993 -15.736 5.221 1.00 84.75 C ATOM 2346 C PRO C 51 19.471 -15.291 6.573 1.00 87.59 C ATOM 2347 O PRO C 51 18.631 -15.992 7.103 1.00 93.29 O ATOM 2348 CB PRO C 51 21.065 -16.819 5.343 1.00 85.29 C ATOM 2349 CG PRO C 51 22.011 -16.528 4.165 1.00 81.44 C ATOM 2350 CD PRO C 51 22.057 -15.050 4.054 1.00 77.63 C ATOM 2351 N ALA C 52 19.960 -14.159 7.097 1.00 86.80 N ATOM 2352 CA ALA C 52 19.460 -13.599 8.333 1.00 91.87 C ATOM 2353 C ALA C 52 18.222 -12.718 8.117 1.00 94.20 C ATOM 2354 O ALA C 52 17.663 -12.207 9.088 1.00 96.93 O ATOM 2355 CB ALA C 52 20.567 -12.846 9.042 1.00 88.67 C ATOM 2356 H ALA C 52 20.727 -13.665 6.597 1.00 0.00 H ATOM 2357 N GLY C 53 17.756 -12.630 6.871 1.00 93.94 N ATOM 2358 CA GLY C 53 16.590 -11.877 6.502 1.00 96.46 C ATOM 2359 C GLY C 53 16.779 -10.364 6.479 1.00 95.38 C ATOM 2360 O GLY C 53 15.797 -9.622 6.398 1.00 98.88 O ATOM 2361 H GLY C 53 18.268 -13.137 6.121 1.00 0.00 H ATOM 2362 N MET C 54 18.015 -9.885 6.495 1.00 94.32 N ATOM 2363 CA MET C 54 18.278 -8.472 6.211 1.00 91.23 C ATOM 2364 C MET C 54 18.168 -8.254 4.692 1.00 91.11 C ATOM 2365 O MET C 54 18.591 -9.084 3.920 1.00 88.68 O ATOM 2366 CB MET C 54 19.674 -8.108 6.696 1.00 88.24 C ATOM 2367 H MET C 54 18.809 -10.521 6.712 1.00 0.00 H ATOM 2368 N ILE C 55 17.679 -7.089 4.285 1.00 91.96 N ATOM 2369 CA ILE C 55 17.481 -6.749 2.878 1.00 90.65 C ATOM 2370 C ILE C 55 18.748 -6.106 2.269 1.00 85.36 C ATOM 2371 O ILE C 55 19.392 -5.290 2.899 1.00 85.36 O ATOM 2372 CB ILE C 55 16.275 -5.839 2.725 1.00 92.91 C ATOM 2373 CG1 ILE C 55 16.674 -4.399 3.067 1.00 91.80 C ATOM 2374 CG2 ILE C 55 15.143 -6.268 3.645 1.00 96.60 C ATOM 2375 CD1 ILE C 55 15.567 -3.393 2.901 1.00 91.28 C ATOM 2376 H ILE C 55 17.424 -6.382 5.004 1.00 0.00 H ATOM 2377 N PHE C 56 19.053 -6.471 1.031 1.00 81.66 N ATOM 2378 CA PHE C 56 19.926 -5.665 0.189 1.00 74.51 C ATOM 2379 C PHE C 56 19.245 -5.375 -1.146 1.00 67.38 C ATOM 2380 O PHE C 56 18.508 -6.190 -1.701 1.00 67.57 O ATOM 2381 CB PHE C 56 21.215 -6.398 -0.144 1.00 75.44 C ATOM 2382 CG PHE C 56 22.030 -6.859 1.045 1.00 80.29 C ATOM 2383 CD1 PHE C 56 22.957 -6.023 1.659 1.00 79.64 C ATOM 2384 CD2 PHE C 56 21.947 -8.157 1.462 1.00 84.25 C ATOM 2385 CE1 PHE C 56 23.753 -6.474 2.695 1.00 80.55 C ATOM 2386 CE2 PHE C 56 22.776 -8.628 2.479 1.00 87.78 C ATOM 2387 CZ PHE C 56 23.665 -7.783 3.105 1.00 83.72 C ATOM 2388 H PHE C 56 18.659 -7.355 0.652 1.00 0.00 H ATOM 2389 N ARG C 57 19.588 -4.250 -1.718 1.00 62.31 N ATOM 2390 CA ARG C 57 19.422 -4.034 -3.157 1.00 57.24 C ATOM 2391 C ARG C 57 20.725 -4.400 -3.854 1.00 50.61 C ATOM 2392 O ARG C 57 21.780 -3.884 -3.428 1.00 50.25 O ATOM 2393 CB ARG C 57 19.015 -2.573 -3.343 1.00 58.12 C ATOM 2394 CG ARG C 57 17.501 -2.495 -3.038 1.00 62.76 C ATOM 2395 CD ARG C 57 16.904 -1.152 -2.631 1.00 64.87 C ATOM 2396 NE ARG C 57 15.444 -1.325 -2.477 1.00 69.08 N ATOM 2397 CZ ARG C 57 14.767 -1.452 -1.338 1.00 74.94 C ATOM 2398 NH1 ARG C 57 15.386 -1.427 -0.151 1.00 78.38 N ATOM 2399 NH2 ARG C 57 13.441 -1.575 -1.392 1.00 73.11 N ATOM 2400 HE ARG C 57 14.885 -1.350 -3.354 1.00 0.00 H ATOM 2401 HH12 ARG C 57 14.835 -1.528 0.725 1.00 0.00 H ATOM 2402 HH11 ARG C 57 16.418 -1.306 -0.105 1.00 0.00 H ATOM 2403 HH22 ARG C 57 12.892 -1.675 -0.514 1.00 0.00 H ATOM 2404 HH21 ARG C 57 12.955 -1.571 -2.312 1.00 0.00 H ATOM 2405 H ARG C 57 19.990 -3.488 -1.135 1.00 0.00 H ATOM 2406 N VAL C 58 20.658 -5.316 -4.812 1.00 45.59 N ATOM 2407 CA VAL C 58 21.811 -5.800 -5.552 1.00 45.05 C ATOM 2408 C VAL C 58 21.730 -5.187 -6.944 1.00 42.27 C ATOM 2409 O VAL C 58 20.650 -5.198 -7.528 1.00 38.46 O ATOM 2410 CB VAL C 58 21.804 -7.344 -5.665 1.00 46.98 C ATOM 2411 CG1 VAL C 58 22.989 -7.804 -6.470 1.00 47.04 C ATOM 2412 CG2 VAL C 58 21.950 -7.958 -4.299 1.00 50.48 C ATOM 2413 H VAL C 58 19.725 -5.711 -5.047 1.00 0.00 H ATOM 2414 N TRP C 59 22.826 -4.638 -7.450 1.00 40.47 N ATOM 2415 CA TRP C 59 22.919 -4.260 -8.856 1.00 41.53 C ATOM 2416 C TRP C 59 23.793 -5.286 -9.540 1.00 41.46 C ATOM 2417 O TRP C 59 24.888 -5.591 -9.028 1.00 43.08 O ATOM 2418 CB TRP C 59 23.605 -2.902 -8.967 1.00 41.87 C ATOM 2419 CG TRP C 59 22.709 -1.663 -8.816 1.00 44.05 C ATOM 2420 CD1 TRP C 59 21.629 -1.379 -9.549 1.00 47.50 C ATOM 2421 CD2 TRP C 59 23.039 -0.440 -8.106 1.00 45.58 C ATOM 2422 NE1 TRP C 59 21.107 -0.081 -9.202 1.00 48.83 N ATOM 2423 CE2 TRP C 59 22.006 0.504 -8.351 1.00 48.36 C ATOM 2424 CE3 TRP C 59 24.067 -0.093 -7.243 1.00 48.49 C ATOM 2425 CZ2 TRP C 59 21.977 1.764 -7.756 1.00 51.76 C ATOM 2426 CZ3 TRP C 59 24.075 1.168 -6.679 1.00 50.12 C ATOM 2427 CH2 TRP C 59 23.015 2.097 -6.935 1.00 50.56 C ATOM 2428 HE1 TRP C 59 20.214 0.334 -9.536 1.00 0.00 H ATOM 2429 H TRP C 59 23.642 -4.472 -6.827 1.00 0.00 H ATOM 2430 N CYS C 60 23.325 -5.831 -10.688 1.00 40.79 N ATOM 2431 CA CYS C 60 24.158 -6.754 -11.432 1.00 38.34 C ATOM 2432 C CYS C 60 24.837 -6.047 -12.629 1.00 40.39 C ATOM 2433 O CYS C 60 24.206 -5.297 -13.356 1.00 41.20 O ATOM 2434 CB CYS C 60 23.351 -7.931 -11.962 1.00 41.34 C ATOM 2435 SG CYS C 60 22.598 -8.812 -10.559 1.00 43.91 S ATOM 2436 H CYS C 60 22.374 -5.589 -11.033 1.00 0.00 H ATOM 2437 N PHE C 61 26.109 -6.346 -12.800 1.00 35.99 N ATOM 2438 CA PHE C 61 26.925 -5.759 -13.876 1.00 37.39 C ATOM 2439 C PHE C 61 27.645 -6.873 -14.634 1.00 38.11 C ATOM 2440 O PHE C 61 28.118 -7.803 -14.028 1.00 38.02 O ATOM 2441 CB PHE C 61 27.996 -4.856 -13.275 1.00 35.13 C ATOM 2442 CG PHE C 61 27.472 -3.693 -12.537 1.00 36.53 C ATOM 2443 CD1 PHE C 61 27.093 -2.554 -13.214 1.00 36.67 C ATOM 2444 CD2 PHE C 61 27.308 -3.767 -11.147 1.00 38.28 C ATOM 2445 CE1 PHE C 61 26.645 -1.431 -12.537 1.00 39.75 C ATOM 2446 CE2 PHE C 61 26.803 -2.654 -10.447 1.00 38.55 C ATOM 2447 CZ PHE C 61 26.475 -1.481 -11.123 1.00 38.70 C ATOM 2448 H PHE C 61 26.554 -7.024 -12.149 1.00 0.00 H ATOM 2449 N SER C 62 27.755 -6.750 -15.957 1.00 37.04 N ATOM 2450 CA SER C 62 28.480 -7.769 -16.688 1.00 34.80 C ATOM 2451 C SER C 62 29.969 -7.655 -16.493 1.00 35.39 C ATOM 2452 O SER C 62 30.707 -8.694 -16.659 1.00 34.56 O ATOM 2453 CB SER C 62 28.167 -7.629 -18.170 1.00 37.43 C ATOM 2454 OG SER C 62 28.403 -6.278 -18.592 1.00 38.09 O ATOM 2455 HG SER C 62 27.822 -5.666 -18.075 1.00 0.00 H ATOM 2456 H SER C 62 27.330 -5.941 -16.453 1.00 0.00 H ATOM 2457 N LEU C 63 30.452 -6.448 -16.173 1.00 31.74 N ATOM 2458 CA LEU C 63 31.873 -6.236 -16.017 1.00 32.43 C ATOM 2459 C LEU C 63 32.105 -5.342 -14.844 1.00 32.37 C ATOM 2460 O LEU C 63 31.222 -4.534 -14.531 1.00 30.97 O ATOM 2461 CB LEU C 63 32.480 -5.538 -17.256 1.00 34.44 C ATOM 2462 CG LEU C 63 32.475 -6.305 -18.586 1.00 36.30 C ATOM 2463 CD1 LEU C 63 32.747 -5.423 -19.841 1.00 40.41 C ATOM 2464 CD2 LEU C 63 33.507 -7.414 -18.551 1.00 36.77 C ATOM 2465 H LEU C 63 29.796 -5.653 -16.035 1.00 0.00 H ATOM 2466 N ALA C 64 33.284 -5.480 -14.231 1.00 30.80 N ATOM 2467 CA ALA C 64 33.666 -4.526 -13.167 1.00 31.28 C ATOM 2468 C ALA C 64 35.166 -4.449 -13.118 1.00 32.07 C ATOM 2469 O ALA C 64 35.860 -5.325 -13.699 1.00 30.91 O ATOM 2470 CB ALA C 64 33.157 -5.067 -11.812 1.00 33.23 C ATOM 2471 H ALA C 64 33.928 -6.251 -14.500 1.00 0.00 H ATOM 2472 N GLN C 65 35.622 -3.448 -12.353 1.00 32.41 N ATOM 2473 CA GLN C 65 37.020 -3.329 -12.103 1.00 34.66 C ATOM 2474 C GLN C 65 37.266 -2.945 -10.684 1.00 32.00 C ATOM 2475 O GLN C 65 36.324 -2.560 -9.970 1.00 28.02 O ATOM 2476 CB GLN C 65 37.572 -2.207 -13.001 1.00 39.18 C ATOM 2477 CG GLN C 65 36.963 -0.852 -12.770 1.00 42.85 C ATOM 2478 CD GLN C 65 37.393 0.105 -13.886 1.00 52.28 C ATOM 2479 OE1 GLN C 65 38.100 1.097 -13.653 1.00 55.02 O ATOM 2480 NE2 GLN C 65 37.048 -0.268 -15.129 1.00 55.51 N ATOM 2481 HE22 GLN C 65 36.453 -1.108 -15.273 1.00 0.00 H ATOM 2482 HE21 GLN C 65 37.376 0.284 -15.947 1.00 0.00 H ATOM 2483 H GLN C 65 34.958 -2.760 -11.943 1.00 0.00 H ATOM 2484 N GLY C 66 38.544 -2.993 -10.336 1.00 27.13 N ATOM 2485 CA GLY C 66 39.046 -2.551 -9.044 1.00 29.56 C ATOM 2486 C GLY C 66 38.631 -3.374 -7.808 1.00 31.86 C ATOM 2487 O GLY C 66 38.726 -2.904 -6.676 1.00 30.58 O ATOM 2488 H GLY C 66 39.226 -3.368 -11.025 1.00 0.00 H ATOM 2489 N LEU C 67 38.141 -4.566 -8.060 1.00 30.41 N ATOM 2490 CA LEU C 67 37.810 -5.525 -7.016 1.00 29.97 C ATOM 2491 C LEU C 67 38.933 -6.481 -6.832 1.00 33.33 C ATOM 2492 O LEU C 67 39.902 -6.517 -7.623 1.00 33.39 O ATOM 2493 CB LEU C 67 36.530 -6.325 -7.462 1.00 30.22 C ATOM 2494 CG LEU C 67 35.285 -5.423 -7.553 1.00 30.22 C ATOM 2495 CD1 LEU C 67 34.179 -6.141 -8.387 1.00 31.14 C ATOM 2496 CD2 LEU C 67 34.673 -5.009 -6.211 1.00 31.13 C ATOM 2497 H LEU C 67 37.982 -4.837 -9.051 1.00 0.00 H ATOM 2498 N ARG C 68 38.864 -7.228 -5.727 1.00 32.20 N ATOM 2499 CA ARG C 68 39.721 -8.373 -5.497 1.00 35.01 C ATOM 2500 C ARG C 68 38.761 -9.516 -5.185 1.00 40.15 C ATOM 2501 O ARG C 68 37.956 -9.389 -4.244 1.00 38.99 O ATOM 2502 CB ARG C 68 40.730 -8.137 -4.361 1.00 36.16 C ATOM 2503 H ARG C 68 38.164 -6.977 -5.000 1.00 0.00 H ATOM 2504 N LEU C 69 38.785 -10.561 -6.029 1.00 41.50 N ATOM 2505 CA LEU C 69 37.895 -11.703 -5.860 1.00 45.12 C ATOM 2506 C LEU C 69 38.654 -12.698 -5.010 1.00 48.02 C ATOM 2507 O LEU C 69 39.825 -13.041 -5.367 1.00 50.26 O ATOM 2508 CB LEU C 69 37.529 -12.329 -7.180 1.00 46.04 C ATOM 2509 CG LEU C 69 36.945 -11.355 -8.172 1.00 45.31 C ATOM 2510 CD1 LEU C 69 36.558 -12.224 -9.409 1.00 46.71 C ATOM 2511 CD2 LEU C 69 35.805 -10.508 -7.577 1.00 44.38 C ATOM 2512 H LEU C 69 39.456 -10.555 -6.824 1.00 0.00 H ATOM 2513 N ILE C 70 38.073 -13.139 -3.884 1.00 47.62 N ATOM 2514 CA ILE C 70 38.872 -13.976 -2.944 1.00 50.15 C ATOM 2515 C ILE C 70 38.217 -15.367 -2.780 1.00 54.46 C ATOM 2516 O ILE C 70 36.991 -15.502 -2.799 1.00 50.69 O ATOM 2517 CB ILE C 70 39.100 -13.304 -1.568 1.00 54.06 C ATOM 2518 CG1 ILE C 70 37.757 -12.952 -0.977 1.00 55.61 C ATOM 2519 CG2 ILE C 70 39.919 -11.983 -1.718 1.00 50.97 C ATOM 2520 CD1 ILE C 70 37.804 -12.180 0.341 1.00 57.14 C ATOM 2521 H ILE C 70 37.083 -12.901 -3.671 1.00 0.00 H ATOM 2522 N GLY C 71 39.025 -16.398 -2.528 1.00 57.48 N ATOM 2523 CA GLY C 71 38.531 -17.746 -2.285 1.00 63.27 C ATOM 2524 C GLY C 71 38.017 -18.540 -3.479 1.00 66.03 C ATOM 2525 O GLY C 71 38.234 -18.175 -4.635 1.00 65.96 O ATOM 2526 H GLY C 71 40.051 -16.232 -2.504 1.00 0.00 H ATOM 2527 N ALA C 72 37.298 -19.613 -3.143 1.00 70.16 N ATOM 2528 CA ALA C 72 36.746 -20.598 -4.045 1.00 70.32 C ATOM 2529 C ALA C 72 35.210 -20.413 -4.145 1.00 68.15 C ATOM 2530 O ALA C 72 34.584 -19.888 -3.217 1.00 67.01 O ATOM 2531 CB ALA C 72 37.071 -21.983 -3.485 1.00 74.41 C ATOM 2532 H ALA C 72 37.116 -19.755 -2.129 1.00 0.00 H ATOM 2533 N PRO C 73 34.625 -20.781 -5.272 1.00 69.01 N ATOM 2534 CA PRO C 73 33.184 -20.437 -5.395 1.00 68.33 C ATOM 2535 C PRO C 73 32.316 -21.246 -4.437 1.00 69.04 C ATOM 2536 O PRO C 73 32.692 -22.354 -4.028 1.00 68.03 O ATOM 2537 CB PRO C 73 32.847 -20.791 -6.848 1.00 67.98 C ATOM 2538 CG PRO C 73 34.184 -20.955 -7.542 1.00 66.79 C ATOM 2539 CD PRO C 73 35.188 -21.355 -6.510 1.00 68.98 C ATOM 2540 N SER C 74 31.158 -20.687 -4.092 1.00 66.18 N ATOM 2541 CA SER C 74 30.158 -21.384 -3.271 1.00 68.32 C ATOM 2542 C SER C 74 28.789 -21.224 -3.936 1.00 66.21 C ATOM 2543 O SER C 74 28.472 -20.147 -4.405 1.00 63.70 O ATOM 2544 CB SER C 74 30.107 -20.742 -1.875 1.00 68.40 C ATOM 2545 OG SER C 74 29.062 -21.279 -1.081 1.00 72.10 O ATOM 2546 HG SER C 74 29.064 -20.840 -0.194 1.00 0.00 H ATOM 2547 H SER C 74 30.953 -19.720 -4.416 1.00 0.00 H ATOM 2548 N GLY C 75 27.964 -22.263 -3.913 1.00 69.57 N ATOM 2549 CA GLY C 75 26.560 -22.169 -4.282 1.00 69.53 C ATOM 2550 C GLY C 75 25.562 -21.809 -3.158 1.00 70.00 C ATOM 2551 O GLY C 75 24.381 -21.548 -3.422 1.00 65.80 O ATOM 2552 H GLY C 75 28.338 -23.187 -3.618 1.00 0.00 H ATOM 2553 N GLU C 76 26.052 -21.779 -1.923 1.00 72.13 N ATOM 2554 CA GLU C 76 25.172 -21.665 -0.743 1.00 74.63 C ATOM 2555 C GLU C 76 24.425 -20.336 -0.739 1.00 70.90 C ATOM 2556 O GLU C 76 25.032 -19.285 -0.883 1.00 65.62 O ATOM 2557 CB GLU C 76 25.972 -21.794 0.568 1.00 77.54 C ATOM 2558 H GLU C 76 27.081 -21.837 -1.784 1.00 0.00 H ATOM 2559 N PHE C 77 23.098 -20.422 -0.616 1.00 71.41 N ATOM 2560 CA PHE C 77 22.213 -19.267 -0.583 1.00 70.52 C ATOM 2561 C PHE C 77 22.302 -18.356 -1.802 1.00 63.87 C ATOM 2562 O PHE C 77 21.936 -17.195 -1.699 1.00 60.44 O ATOM 2563 CB PHE C 77 22.524 -18.434 0.664 1.00 72.46 C ATOM 2564 CG PHE C 77 22.019 -19.057 1.885 1.00 79.35 C ATOM 2565 CD1 PHE C 77 20.655 -18.981 2.105 1.00 83.74 C ATOM 2566 CD2 PHE C 77 22.836 -19.694 2.826 1.00 83.21 C ATOM 2567 CE1 PHE C 77 20.079 -19.516 3.245 1.00 88.99 C ATOM 2568 CE2 PHE C 77 22.269 -20.220 3.971 1.00 87.68 C ATOM 2569 CZ PHE C 77 20.888 -20.152 4.162 1.00 91.50 C ATOM 2570 H PHE C 77 22.673 -21.368 -0.539 1.00 0.00 H ATOM 2571 N SER C 78 22.728 -18.870 -2.944 1.00 61.67 N ATOM 2572 CA SER C 78 22.895 -17.980 -4.102 1.00 58.71 C ATOM 2573 C SER C 78 21.538 -17.371 -4.455 1.00 58.53 C ATOM 2574 O SER C 78 20.543 -18.081 -4.581 1.00 59.38 O ATOM 2575 CB SER C 78 23.383 -18.724 -5.315 1.00 57.62 C ATOM 2576 OG SER C 78 23.502 -17.761 -6.353 1.00 56.73 O ATOM 2577 HG SER C 78 23.822 -18.205 -7.178 1.00 0.00 H ATOM 2578 H SER C 78 22.941 -19.885 -3.021 1.00 0.00 H ATOM 2579 N TRP C 79 21.529 -16.066 -4.659 1.00 56.58 N ATOM 2580 CA TRP C 79 20.311 -15.386 -5.065 1.00 56.26 C ATOM 2581 C TRP C 79 20.001 -15.603 -6.536 1.00 55.10 C ATOM 2582 O TRP C 79 18.944 -15.176 -6.971 1.00 55.13 O ATOM 2583 CB TRP C 79 20.455 -13.883 -4.819 1.00 54.45 C ATOM 2584 CG TRP C 79 20.496 -13.530 -3.362 1.00 55.21 C ATOM 2585 CD1 TRP C 79 19.666 -14.002 -2.414 1.00 57.14 C ATOM 2586 CD2 TRP C 79 21.390 -12.626 -2.716 1.00 51.90 C ATOM 2587 NE1 TRP C 79 19.977 -13.439 -1.208 1.00 56.71 N ATOM 2588 CE2 TRP C 79 21.021 -12.579 -1.365 1.00 54.79 C ATOM 2589 CE3 TRP C 79 22.437 -11.833 -3.153 1.00 49.53 C ATOM 2590 CZ2 TRP C 79 21.659 -11.786 -0.448 1.00 54.05 C ATOM 2591 CZ3 TRP C 79 23.097 -11.068 -2.244 1.00 49.40 C ATOM 2592 CH2 TRP C 79 22.708 -11.058 -0.868 1.00 50.52 C ATOM 2593 HE1 TRP C 79 19.492 -13.637 -0.310 1.00 0.00 H ATOM 2594 H TRP C 79 22.404 -15.519 -4.527 1.00 0.00 H ATOM 2595 N PHE C 80 20.879 -16.242 -7.302 1.00 54.26 N ATOM 2596 CA PHE C 80 20.683 -16.386 -8.750 1.00 53.32 C ATOM 2597 C PHE C 80 20.836 -17.867 -9.015 1.00 54.86 C ATOM 2598 O PHE C 80 21.911 -18.457 -8.818 1.00 53.37 O ATOM 2599 CB PHE C 80 21.730 -15.518 -9.513 1.00 50.36 C ATOM 2600 CG PHE C 80 21.646 -14.050 -9.162 1.00 50.22 C ATOM 2601 CD1 PHE C 80 20.663 -13.226 -9.744 1.00 49.78 C ATOM 2602 CD2 PHE C 80 22.471 -13.513 -8.172 1.00 48.27 C ATOM 2603 CE1 PHE C 80 20.537 -11.931 -9.355 1.00 49.00 C ATOM 2604 CE2 PHE C 80 22.377 -12.192 -7.854 1.00 46.97 C ATOM 2605 CZ PHE C 80 21.393 -11.398 -8.414 1.00 48.15 C ATOM 2606 H PHE C 80 21.729 -16.651 -6.864 1.00 0.00 H ATOM 2607 N LYS C 81 19.738 -18.481 -9.424 1.00 58.48 N ATOM 2608 CA LYS C 81 19.670 -19.952 -9.450 1.00 61.37 C ATOM 2609 C LYS C 81 20.678 -20.455 -10.490 1.00 60.18 C ATOM 2610 O LYS C 81 20.809 -19.863 -11.545 1.00 58.82 O ATOM 2611 CB LYS C 81 18.252 -20.430 -9.769 1.00 63.75 C ATOM 2612 H LYS C 81 18.917 -17.921 -9.729 1.00 0.00 H ATOM 2613 N GLY C 82 21.476 -21.452 -10.124 1.00 62.82 N ATOM 2614 CA GLY C 82 22.494 -22.011 -10.999 1.00 62.38 C ATOM 2615 C GLY C 82 23.850 -21.307 -11.035 1.00 61.46 C ATOM 2616 O GLY C 82 24.699 -21.683 -11.841 1.00 61.41 O ATOM 2617 H GLY C 82 21.368 -21.850 -9.169 1.00 0.00 H ATOM 2618 N TYR C 83 24.025 -20.271 -10.215 1.00 58.93 N ATOM 2619 CA TYR C 83 25.280 -19.570 -10.162 1.00 58.37 C ATOM 2620 C TYR C 83 25.913 -19.748 -8.792 1.00 59.13 C ATOM 2621 O TYR C 83 25.207 -19.733 -7.757 1.00 62.04 O ATOM 2622 CB TYR C 83 25.080 -18.075 -10.358 1.00 55.81 C ATOM 2623 CG TYR C 83 24.683 -17.736 -11.767 1.00 56.56 C ATOM 2624 CD1 TYR C 83 23.355 -17.707 -12.160 1.00 57.69 C ATOM 2625 CD2 TYR C 83 25.665 -17.404 -12.731 1.00 56.17 C ATOM 2626 CE1 TYR C 83 23.013 -17.368 -13.460 1.00 56.77 C ATOM 2627 CE2 TYR C 83 25.328 -17.051 -14.040 1.00 55.41 C ATOM 2628 CZ TYR C 83 23.988 -17.029 -14.399 1.00 54.72 C ATOM 2629 OH TYR C 83 23.558 -16.700 -15.679 1.00 55.33 O ATOM 2630 HH TYR C 83 23.944 -17.338 -16.330 1.00 0.00 H ATOM 2631 H TYR C 83 23.242 -19.964 -9.604 1.00 0.00 H ATOM 2632 N ASP C 84 27.230 -19.867 -8.815 1.00 55.32 N ATOM 2633 CA ASP C 84 28.034 -19.908 -7.603 1.00 56.24 C ATOM 2634 C ASP C 84 28.709 -18.544 -7.488 1.00 52.69 C ATOM 2635 O ASP C 84 28.964 -17.865 -8.477 1.00 50.30 O ATOM 2636 CB ASP C 84 29.130 -20.949 -7.700 1.00 58.02 C ATOM 2637 CG ASP C 84 28.648 -22.350 -7.415 1.00 62.51 C ATOM 2638 OD1 ASP C 84 27.420 -22.590 -7.429 1.00 62.88 O ATOM 2639 OD2 ASP C 84 29.534 -23.215 -7.220 1.00 65.54 O ATOM 2640 H ASP C 84 27.710 -19.934 -9.735 1.00 0.00 H ATOM 2641 N TRP C 85 28.999 -18.171 -6.261 1.00 52.27 N ATOM 2642 CA TRP C 85 29.546 -16.848 -5.986 1.00 48.66 C ATOM 2643 C TRP C 85 30.912 -16.922 -5.304 1.00 47.55 C ATOM 2644 O TRP C 85 31.205 -17.836 -4.547 1.00 45.88 O ATOM 2645 CB TRP C 85 28.578 -16.027 -5.106 1.00 49.20 C ATOM 2646 CG TRP C 85 28.127 -16.661 -3.887 1.00 53.30 C ATOM 2647 CD1 TRP C 85 26.930 -17.360 -3.735 1.00 57.09 C ATOM 2648 CD2 TRP C 85 28.788 -16.697 -2.606 1.00 55.66 C ATOM 2649 NE1 TRP C 85 26.820 -17.794 -2.452 1.00 61.17 N ATOM 2650 CE2 TRP C 85 27.937 -17.442 -1.741 1.00 60.99 C ATOM 2651 CE3 TRP C 85 30.007 -16.216 -2.115 1.00 54.42 C ATOM 2652 CZ2 TRP C 85 28.251 -17.691 -0.416 1.00 63.11 C ATOM 2653 CZ3 TRP C 85 30.325 -16.458 -0.803 1.00 58.01 C ATOM 2654 CH2 TRP C 85 29.446 -17.180 0.050 1.00 61.09 C ATOM 2655 HE1 TRP C 85 26.008 -18.316 -2.067 1.00 0.00 H ATOM 2656 H TRP C 85 28.835 -18.831 -5.474 1.00 0.00 H ATOM 2657 N THR C 86 31.667 -15.823 -5.518 1.00 44.71 N ATOM 2658 CA THR C 86 32.937 -15.563 -4.813 1.00 46.16 C ATOM 2659 C THR C 86 32.923 -14.144 -4.279 1.00 41.77 C ATOM 2660 O THR C 86 32.345 -13.273 -4.893 1.00 37.36 O ATOM 2661 CB THR C 86 34.088 -15.717 -5.871 1.00 48.66 C ATOM 2662 OG1 THR C 86 34.016 -17.101 -6.346 1.00 54.12 O ATOM 2663 CG2 THR C 86 35.542 -15.435 -5.316 1.00 49.81 C ATOM 2664 HG1 THR C 86 34.725 -17.255 -7.020 1.00 0.00 H ATOM 2665 H THR C 86 31.337 -15.125 -6.215 1.00 0.00 H ATOM 2666 N ILE C 87 33.501 -13.935 -3.121 1.00 41.66 N ATOM 2667 CA ILE C 87 33.447 -12.625 -2.476 1.00 41.50 C ATOM 2668 C ILE C 87 34.239 -11.613 -3.286 1.00 37.76 C ATOM 2669 O ILE C 87 35.330 -11.943 -3.774 1.00 38.92 O ATOM 2670 CB ILE C 87 34.099 -12.722 -1.083 1.00 43.11 C ATOM 2671 CG1 ILE C 87 33.270 -13.643 -0.188 1.00 48.39 C ATOM 2672 CG2 ILE C 87 34.226 -11.353 -0.430 1.00 42.22 C ATOM 2673 CD1 ILE C 87 31.955 -13.084 0.311 1.00 48.83 C ATOM 2674 H ILE C 87 34.006 -14.715 -2.654 1.00 0.00 H ATOM 2675 N ALA C 88 33.670 -10.420 -3.471 1.00 36.28 N ATOM 2676 CA ALA C 88 34.337 -9.319 -4.197 1.00 33.59 C ATOM 2677 C ALA C 88 34.591 -8.216 -3.168 1.00 35.15 C ATOM 2678 O ALA C 88 33.622 -7.665 -2.602 1.00 37.15 O ATOM 2679 CB ALA C 88 33.460 -8.833 -5.301 1.00 34.36 C ATOM 2680 H ALA C 88 32.717 -10.258 -3.088 1.00 0.00 H ATOM 2681 N LEU C 89 35.869 -7.949 -2.891 1.00 34.03 N ATOM 2682 CA LEU C 89 36.264 -6.836 -2.032 1.00 34.91 C ATOM 2683 C LEU C 89 36.754 -5.685 -2.913 1.00 32.45 C ATOM 2684 O LEU C 89 37.269 -5.875 -4.063 1.00 31.41 O ATOM 2685 CB LEU C 89 37.410 -7.193 -1.125 1.00 36.95 C ATOM 2686 CG LEU C 89 37.258 -8.489 -0.321 1.00 39.89 C ATOM 2687 CD1 LEU C 89 38.446 -8.853 0.544 1.00 40.35 C ATOM 2688 CD2 LEU C 89 35.963 -8.380 0.512 1.00 40.46 C ATOM 2689 H LEU C 89 36.609 -8.554 -3.301 1.00 0.00 H ATOM 2690 N CYS C 90 36.573 -4.516 -2.370 1.00 31.37 N ATOM 2691 CA CYS C 90 37.173 -3.315 -2.975 1.00 28.46 C ATOM 2692 C CYS C 90 38.717 -3.568 -2.927 1.00 27.47 C ATOM 2693 O CYS C 90 39.290 -3.870 -1.897 1.00 27.91 O ATOM 2694 CB CYS C 90 36.833 -2.053 -2.094 1.00 29.43 C ATOM 2695 SG CYS C 90 37.671 -0.586 -2.719 1.00 29.93 S ATOM 2696 H CYS C 90 36.002 -4.430 -1.505 1.00 0.00 H ATOM 2697 N GLY C 91 39.373 -3.439 -4.094 1.00 28.84 N ATOM 2698 CA GLY C 91 40.773 -3.617 -4.138 1.00 30.20 C ATOM 2699 C GLY C 91 41.565 -2.492 -3.473 1.00 30.92 C ATOM 2700 O GLY C 91 42.747 -2.688 -3.117 1.00 32.24 O ATOM 2701 H GLY C 91 38.850 -3.208 -4.963 1.00 0.00 H ATOM 2702 N GLN C 92 40.942 -1.356 -3.269 1.00 28.52 N ATOM 2703 CA GLN C 92 41.651 -0.173 -2.685 1.00 29.77 C ATOM 2704 C GLN C 92 41.597 -0.184 -1.200 1.00 29.90 C ATOM 2705 O GLN C 92 42.602 0.018 -0.507 1.00 30.75 O ATOM 2706 CB GLN C 92 41.056 1.121 -3.289 1.00 28.56 C ATOM 2707 CG GLN C 92 41.630 2.432 -2.697 1.00 27.66 C ATOM 2708 CD GLN C 92 41.442 3.572 -3.640 1.00 26.40 C ATOM 2709 OE1 GLN C 92 42.160 3.702 -4.569 1.00 27.95 O ATOM 2710 NE2 GLN C 92 40.288 4.234 -3.528 1.00 27.54 N ATOM 2711 HE22 GLN C 92 39.685 4.090 -2.693 1.00 0.00 H ATOM 2712 HE21 GLN C 92 39.992 4.893 -4.276 1.00 0.00 H ATOM 2713 H GLN C 92 39.935 -1.275 -3.518 1.00 0.00 H ATOM 2714 N CYS C 93 40.401 -0.422 -0.639 1.00 29.67 N ATOM 2715 CA CYS C 93 40.271 -0.357 0.852 1.00 29.68 C ATOM 2716 C CYS C 93 39.909 -1.638 1.520 1.00 31.86 C ATOM 2717 O CYS C 93 39.887 -1.678 2.756 1.00 30.37 O ATOM 2718 CB CYS C 93 39.260 0.713 1.252 1.00 30.00 C ATOM 2719 SG CYS C 93 37.500 0.322 0.985 1.00 32.52 S ATOM 2720 H CYS C 93 39.576 -0.648 -1.231 1.00 0.00 H ATOM 2721 N GLY C 94 39.509 -2.661 0.744 1.00 32.55 N ATOM 2722 CA GLY C 94 39.181 -3.978 1.416 1.00 33.70 C ATOM 2723 C GLY C 94 37.646 -4.113 1.765 1.00 35.02 C ATOM 2724 O GLY C 94 37.239 -5.208 2.153 1.00 35.70 O ATOM 2725 H GLY C 94 39.427 -2.551 -0.287 1.00 0.00 H ATOM 2726 N SER C 95 36.837 -3.059 1.605 1.00 33.47 N ATOM 2727 CA SER C 95 35.374 -3.153 1.847 1.00 35.38 C ATOM 2728 C SER C 95 34.682 -4.249 1.010 1.00 35.41 C ATOM 2729 O SER C 95 34.989 -4.457 -0.139 1.00 33.12 O ATOM 2730 CB SER C 95 34.684 -1.826 1.591 1.00 33.86 C ATOM 2731 OG SER C 95 33.256 -1.824 1.702 1.00 36.04 O ATOM 2732 HG SER C 95 32.913 -0.914 1.516 1.00 0.00 H ATOM 2733 H SER C 95 37.243 -2.150 1.303 1.00 0.00 H ATOM 2734 N HIS C 96 33.796 -5.001 1.645 1.00 39.38 N ATOM 2735 CA HIS C 96 33.083 -6.069 0.965 1.00 39.42 C ATOM 2736 C HIS C 96 31.968 -5.444 0.130 1.00 36.59 C ATOM 2737 O HIS C 96 30.989 -4.936 0.674 1.00 36.76 O ATOM 2738 CB HIS C 96 32.564 -7.138 1.962 1.00 44.12 C ATOM 2739 CG HIS C 96 31.683 -8.142 1.296 1.00 47.58 C ATOM 2740 ND1 HIS C 96 30.657 -8.810 1.941 1.00 51.26 N ATOM 2741 CD2 HIS C 96 31.702 -8.611 0.026 1.00 47.25 C ATOM 2742 CE1 HIS C 96 30.054 -9.602 1.071 1.00 51.56 C ATOM 2743 NE2 HIS C 96 30.693 -9.529 -0.087 1.00 50.29 N ATOM 2744 H HIS C 96 33.606 -4.823 2.652 1.00 0.00 H ATOM 2745 N LEU C 97 32.124 -5.472 -1.200 1.00 33.70 N ATOM 2746 CA LEU C 97 31.184 -4.791 -2.086 1.00 36.36 C ATOM 2747 C LEU C 97 30.084 -5.696 -2.688 1.00 37.13 C ATOM 2748 O LEU C 97 29.091 -5.187 -3.179 1.00 39.10 O ATOM 2749 CB LEU C 97 31.902 -4.037 -3.199 1.00 33.41 C ATOM 2750 CG LEU C 97 32.901 -2.943 -2.735 1.00 35.74 C ATOM 2751 CD1 LEU C 97 33.545 -2.218 -3.851 1.00 35.34 C ATOM 2752 CD2 LEU C 97 32.212 -1.941 -1.726 1.00 36.12 C ATOM 2753 H LEU C 97 32.929 -5.988 -1.609 1.00 0.00 H ATOM 2754 N GLY C 98 30.359 -6.975 -2.768 1.00 37.51 N ATOM 2755 CA GLY C 98 29.428 -7.909 -3.310 1.00 38.63 C ATOM 2756 C GLY C 98 30.100 -9.183 -3.702 1.00 38.16 C ATOM 2757 O GLY C 98 30.933 -9.712 -2.960 1.00 38.29 O ATOM 2758 H GLY C 98 31.280 -7.317 -2.427 1.00 0.00 H ATOM 2759 N TRP C 99 29.679 -9.732 -4.829 1.00 37.53 N ATOM 2760 CA TRP C 99 30.126 -11.088 -5.243 1.00 38.65 C ATOM 2761 C TRP C 99 30.292 -11.156 -6.726 1.00 37.75 C ATOM 2762 O TRP C 99 29.674 -10.368 -7.463 1.00 35.75 O ATOM 2763 CB TRP C 99 29.111 -12.145 -4.835 1.00 41.44 C ATOM 2764 CG TRP C 99 28.844 -12.177 -3.323 1.00 43.71 C ATOM 2765 CD1 TRP C 99 29.479 -12.956 -2.384 1.00 45.90 C ATOM 2766 CD2 TRP C 99 27.948 -11.343 -2.603 1.00 43.72 C ATOM 2767 NE1 TRP C 99 28.992 -12.668 -1.125 1.00 46.54 N ATOM 2768 CE2 TRP C 99 28.038 -11.693 -1.248 1.00 45.33 C ATOM 2769 CE3 TRP C 99 27.032 -10.341 -2.973 1.00 43.33 C ATOM 2770 CZ2 TRP C 99 27.264 -11.076 -0.270 1.00 46.49 C ATOM 2771 CZ3 TRP C 99 26.295 -9.693 -1.951 1.00 43.92 C ATOM 2772 CH2 TRP C 99 26.360 -10.130 -0.658 1.00 45.65 C ATOM 2773 HE1 TRP C 99 29.297 -13.114 -0.236 1.00 0.00 H ATOM 2774 H TRP C 99 29.022 -9.204 -5.438 1.00 0.00 H ATOM 2775 N HIS C 100 31.128 -12.070 -7.153 1.00 37.92 N ATOM 2776 CA HIS C 100 31.240 -12.401 -8.545 1.00 38.66 C ATOM 2777 C HIS C 100 30.555 -13.764 -8.699 1.00 41.74 C ATOM 2778 O HIS C 100 30.820 -14.664 -7.943 1.00 41.04 O ATOM 2779 CB HIS C 100 32.738 -12.494 -8.971 1.00 40.48 C ATOM 2780 CG HIS C 100 32.959 -12.836 -10.399 1.00 41.56 C ATOM 2781 ND1 HIS C 100 33.575 -13.992 -10.814 1.00 43.66 N ATOM 2782 CD2 HIS C 100 32.761 -12.096 -11.518 1.00 45.42 C ATOM 2783 CE1 HIS C 100 33.670 -14.006 -12.131 1.00 44.32 C ATOM 2784 NE2 HIS C 100 33.229 -12.844 -12.578 1.00 43.56 N ATOM 2785 H HIS C 100 31.727 -12.569 -6.465 1.00 0.00 H ATOM 2786 N TYR C 101 29.742 -13.864 -9.722 1.00 39.87 N ATOM 2787 CA TYR C 101 28.876 -15.022 -9.957 1.00 45.30 C ATOM 2788 C TYR C 101 29.334 -15.715 -11.224 1.00 47.35 C ATOM 2789 O TYR C 101 29.675 -15.052 -12.174 1.00 47.53 O ATOM 2790 CB TYR C 101 27.422 -14.574 -10.105 1.00 41.70 C ATOM 2791 CG TYR C 101 26.811 -14.186 -8.813 1.00 40.85 C ATOM 2792 CD1 TYR C 101 26.185 -15.163 -7.991 1.00 43.27 C ATOM 2793 CD2 TYR C 101 26.840 -12.867 -8.378 1.00 39.40 C ATOM 2794 CE1 TYR C 101 25.584 -14.795 -6.786 1.00 43.17 C ATOM 2795 CE2 TYR C 101 26.202 -12.485 -7.187 1.00 39.91 C ATOM 2796 CZ TYR C 101 25.607 -13.429 -6.393 1.00 42.69 C ATOM 2797 OH TYR C 101 25.032 -12.927 -5.204 1.00 44.25 O ATOM 2798 HH TYR C 101 24.627 -13.673 -4.694 1.00 0.00 H ATOM 2799 H TYR C 101 29.710 -13.079 -10.404 1.00 0.00 H ATOM 2800 N GLU C 102 29.327 -17.042 -11.201 1.00 54.20 N ATOM 2801 CA GLU C 102 29.949 -17.827 -12.249 1.00 62.45 C ATOM 2802 C GLU C 102 29.193 -19.151 -12.300 1.00 68.23 C ATOM 2803 O GLU C 102 28.386 -19.509 -11.392 1.00 62.71 O ATOM 2804 CB GLU C 102 31.418 -18.046 -11.886 1.00 70.29 C ATOM 2805 CG GLU C 102 32.292 -18.974 -12.674 1.00 77.33 C ATOM 2806 CD GLU C 102 33.763 -18.791 -12.271 1.00 86.10 C ATOM 2807 OE1 GLU C 102 34.175 -19.216 -11.138 1.00 93.49 O ATOM 2808 OE2 GLU C 102 34.502 -18.202 -13.100 1.00 91.59 O ATOM 2809 H GLU C 102 28.863 -17.532 -10.410 1.00 0.00 H ATOM 2810 N GLY C 103 29.476 -19.888 -13.357 1.00 74.27 N ATOM 2811 CA GLY C 103 29.017 -21.267 -13.445 1.00 81.35 C ATOM 2812 C GLY C 103 27.661 -21.409 -14.105 1.00 86.37 C ATOM 2813 O GLY C 103 27.174 -22.541 -14.256 1.00 86.41 O ATOM 2814 H GLY C 103 30.032 -19.480 -14.135 1.00 0.00 H ATOM 2815 N GLY C 104 27.081 -20.302 -14.585 1.00 86.86 N ATOM 2816 CA GLY C 104 25.824 -20.373 -15.285 1.00 90.37 C ATOM 2817 C GLY C 104 25.953 -20.280 -16.796 1.00 93.10 C ATOM 2818 O GLY C 104 26.999 -20.564 -17.349 1.00 90.18 O ATOM 2819 H GLY C 104 27.543 -19.380 -14.451 1.00 0.00 H ATOM 2820 N SER C 105 24.879 -19.827 -17.444 1.00 98.01 N ATOM 2821 CA SER C 105 24.808 -19.649 -18.893 1.00 97.69 C ATOM 2822 C SER C 105 24.002 -18.411 -19.158 1.00 98.57 C ATOM 2823 O SER C 105 22.981 -18.179 -18.500 1.00106.90 O ATOM 2824 CB SER C 105 24.093 -20.825 -19.531 1.00 97.96 C ATOM 2825 OG SER C 105 24.874 -21.990 -19.343 1.00 96.81 O ATOM 2826 HG SER C 105 24.415 -22.764 -19.756 1.00 0.00 H ATOM 2827 H SER C 105 24.038 -19.585 -16.882 1.00 0.00 H ATOM 2828 N GLN C 106 24.469 -17.599 -20.101 1.00 94.89 N ATOM 2829 CA GLN C 106 23.708 -16.462 -20.614 1.00 89.66 C ATOM 2830 C GLN C 106 23.246 -15.505 -19.494 1.00 83.55 C ATOM 2831 O GLN C 106 22.058 -15.260 -19.339 1.00 76.68 O ATOM 2832 CB GLN C 106 22.518 -16.947 -21.464 1.00 93.20 C ATOM 2833 H GLN C 106 25.416 -17.781 -20.490 1.00 0.00 H ATOM 2834 N PRO C 107 24.173 -14.909 -18.758 1.00 82.05 N ATOM 2835 CA PRO C 107 25.603 -14.943 -19.014 1.00 77.28 C ATOM 2836 C PRO C 107 26.276 -16.007 -18.195 1.00 72.67 C ATOM 2837 O PRO C 107 25.705 -16.516 -17.217 1.00 70.15 O ATOM 2838 CB PRO C 107 26.076 -13.564 -18.514 1.00 78.57 C ATOM 2839 CG PRO C 107 25.147 -13.252 -17.398 1.00 80.33 C ATOM 2840 CD PRO C 107 23.806 -13.853 -17.795 1.00 85.54 C ATOM 2841 N GLN C 108 27.502 -16.315 -18.548 1.00 62.96 N ATOM 2842 CA GLN C 108 28.197 -17.315 -17.770 1.00 65.80 C ATOM 2843 C GLN C 108 28.569 -16.692 -16.400 1.00 62.85 C ATOM 2844 O GLN C 108 28.629 -17.419 -15.384 1.00 62.17 O ATOM 2845 CB GLN C 108 29.489 -17.764 -18.396 1.00 73.17 C ATOM 2846 CG GLN C 108 29.446 -18.299 -19.816 1.00 80.06 C ATOM 2847 CD GLN C 108 30.828 -18.745 -20.237 1.00 81.86 C ATOM 2848 OE1 GLN C 108 31.431 -19.559 -19.549 1.00 89.10 O ATOM 2849 NE2 GLN C 108 31.362 -18.196 -21.356 1.00 84.27 N ATOM 2850 HE22 GLN C 108 30.813 -17.508 -21.910 1.00 0.00 H ATOM 2851 HE21 GLN C 108 32.320 -18.463 -21.660 1.00 0.00 H ATOM 2852 H GLN C 108 27.958 -15.854 -19.361 1.00 0.00 H ATOM 2853 N THR C 109 28.911 -15.392 -16.418 1.00 55.55 N ATOM 2854 CA THR C 109 29.449 -14.690 -15.244 1.00 51.99 C ATOM 2855 C THR C 109 28.963 -13.262 -15.206 1.00 51.66 C ATOM 2856 O THR C 109 28.546 -12.672 -16.216 1.00 49.48 O ATOM 2857 CB THR C 109 30.995 -14.589 -15.245 1.00 52.29 C ATOM 2858 OG1 THR C 109 31.370 -13.713 -16.318 1.00 49.81 O ATOM 2859 CG2 THR C 109 31.686 -15.987 -15.376 1.00 54.88 C ATOM 2860 HG1 THR C 109 30.965 -12.822 -16.172 1.00 0.00 H ATOM 2861 H THR C 109 28.789 -14.859 -17.303 1.00 0.00 H ATOM 2862 N PHE C 110 28.915 -12.709 -13.978 1.00 46.64 N ATOM 2863 CA PHE C 110 28.514 -11.328 -13.742 1.00 41.04 C ATOM 2864 C PHE C 110 28.868 -10.999 -12.299 1.00 39.11 C ATOM 2865 O PHE C 110 29.233 -11.867 -11.501 1.00 38.34 O ATOM 2866 CB PHE C 110 27.005 -11.058 -13.998 1.00 43.90 C ATOM 2867 CG PHE C 110 26.079 -11.767 -13.039 1.00 44.87 C ATOM 2868 CD1 PHE C 110 25.718 -13.121 -13.216 1.00 47.90 C ATOM 2869 CD2 PHE C 110 25.549 -11.073 -11.947 1.00 45.41 C ATOM 2870 CE1 PHE C 110 24.849 -13.736 -12.319 1.00 49.35 C ATOM 2871 CE2 PHE C 110 24.675 -11.704 -11.075 1.00 46.71 C ATOM 2872 CZ PHE C 110 24.311 -13.028 -11.267 1.00 49.27 C ATOM 2873 H PHE C 110 29.177 -13.296 -13.160 1.00 0.00 H ATOM 2874 N PHE C 111 28.751 -9.720 -11.979 1.00 37.24 N ATOM 2875 CA PHE C 111 29.064 -9.207 -10.600 1.00 37.35 C ATOM 2876 C PHE C 111 27.732 -8.722 -10.014 1.00 38.14 C ATOM 2877 O PHE C 111 26.959 -8.097 -10.691 1.00 35.37 O ATOM 2878 CB PHE C 111 30.056 -8.070 -10.619 1.00 36.27 C ATOM 2879 CG PHE C 111 31.382 -8.420 -11.184 1.00 35.41 C ATOM 2880 CD1 PHE C 111 31.615 -8.375 -12.597 1.00 36.91 C ATOM 2881 CD2 PHE C 111 32.419 -8.706 -10.356 1.00 35.10 C ATOM 2882 CE1 PHE C 111 32.884 -8.712 -13.078 1.00 33.33 C ATOM 2883 CE2 PHE C 111 33.684 -8.988 -10.821 1.00 33.75 C ATOM 2884 CZ PHE C 111 33.904 -9.060 -12.177 1.00 34.72 C ATOM 2885 H PHE C 111 28.432 -9.047 -12.705 1.00 0.00 H ATOM 2886 N GLY C 112 27.443 -9.097 -8.779 1.00 36.66 N ATOM 2887 CA GLY C 112 26.300 -8.622 -8.062 1.00 37.06 C ATOM 2888 C GLY C 112 26.804 -7.834 -6.867 1.00 37.51 C ATOM 2889 O GLY C 112 27.444 -8.414 -5.931 1.00 37.25 O ATOM 2890 H GLY C 112 28.078 -9.771 -8.306 1.00 0.00 H ATOM 2891 N LEU C 113 26.627 -6.508 -6.935 1.00 36.46 N ATOM 2892 CA LEU C 113 27.202 -5.606 -5.966 1.00 38.01 C ATOM 2893 C LEU C 113 26.101 -4.997 -5.120 1.00 40.58 C ATOM 2894 O LEU C 113 24.998 -4.670 -5.607 1.00 39.06 O ATOM 2895 CB LEU C 113 27.974 -4.501 -6.652 1.00 38.08 C ATOM 2896 CG LEU C 113 29.149 -5.064 -7.524 1.00 36.06 C ATOM 2897 CD1 LEU C 113 29.907 -3.988 -8.195 1.00 37.59 C ATOM 2898 CD2 LEU C 113 30.066 -5.982 -6.777 1.00 37.26 C ATOM 2899 H LEU C 113 26.057 -6.116 -7.711 1.00 0.00 H ATOM 2900 N ILE C 114 26.447 -4.782 -3.867 1.00 41.53 N ATOM 2901 CA ILE C 114 25.463 -4.313 -2.885 1.00 44.83 C ATOM 2902 C ILE C 114 25.307 -2.810 -2.998 1.00 44.51 C ATOM 2903 O ILE C 114 26.235 -2.031 -2.790 1.00 37.72 O ATOM 2904 CB ILE C 114 25.966 -4.667 -1.451 1.00 46.62 C ATOM 2905 CG1 ILE C 114 26.173 -6.170 -1.309 1.00 46.61 C ATOM 2906 CG2 ILE C 114 24.996 -4.166 -0.394 1.00 49.23 C ATOM 2907 CD1 ILE C 114 27.089 -6.501 -0.155 1.00 49.16 C ATOM 2908 H ILE C 114 27.430 -4.947 -3.570 1.00 0.00 H ATOM 2909 N LYS C 115 24.087 -2.384 -3.329 1.00 44.78 N ATOM 2910 CA LYS C 115 23.784 -0.967 -3.416 1.00 47.55 C ATOM 2911 C LYS C 115 24.241 -0.115 -2.216 1.00 47.69 C ATOM 2912 O LYS C 115 24.834 0.933 -2.452 1.00 45.81 O ATOM 2913 CB LYS C 115 22.274 -0.754 -3.604 1.00 50.85 C ATOM 2914 CG LYS C 115 21.892 0.730 -3.776 1.00 53.02 C ATOM 2915 CD LYS C 115 20.442 0.942 -4.170 1.00 55.66 C ATOM 2916 CE LYS C 115 20.183 2.361 -4.678 1.00 55.98 C ATOM 2917 NZ LYS C 115 18.733 2.655 -4.720 1.00 57.76 N ATOM 2918 HZ1 LYS C 115 18.262 1.982 -5.358 1.00 0.00 H ATOM 2919 HZ2 LYS C 115 18.334 2.565 -3.764 1.00 0.00 H ATOM 2920 HZ3 LYS C 115 18.587 3.624 -5.068 1.00 0.00 H ATOM 2921 H LYS C 115 23.340 -3.079 -3.528 1.00 0.00 H ATOM 2922 N ASP C 116 24.087 -0.583 -0.983 1.00 50.05 N ATOM 2923 CA ASP C 116 24.426 0.323 0.133 1.00 55.76 C ATOM 2924 C ASP C 116 25.925 0.360 0.415 1.00 54.49 C ATOM 2925 O ASP C 116 26.378 1.084 1.291 1.00 55.00 O ATOM 2926 CB ASP C 116 23.578 0.145 1.419 1.00 63.89 C ATOM 2927 CG ASP C 116 23.752 -1.205 2.101 1.00 69.25 C ATOM 2928 OD1 ASP C 116 24.786 -1.836 1.910 1.00 73.12 O ATOM 2929 OD2 ASP C 116 22.857 -1.604 2.902 1.00 80.84 O ATOM 2930 H ASP C 116 23.742 -1.549 -0.810 1.00 0.00 H ATOM 2931 N ARG C 117 26.688 -0.403 -0.352 1.00 48.55 N ATOM 2932 CA ARG C 117 28.128 -0.300 -0.274 1.00 47.32 C ATOM 2933 C ARG C 117 28.740 0.571 -1.319 1.00 44.04 C ATOM 2934 O ARG C 117 29.905 0.650 -1.366 1.00 37.43 O ATOM 2935 CB ARG C 117 28.726 -1.752 -0.315 1.00 47.82 C ATOM 2936 CG ARG C 117 28.139 -2.614 0.795 1.00 49.49 C ATOM 2937 CD ARG C 117 28.981 -2.672 2.029 1.00 51.93 C ATOM 2938 NE ARG C 117 28.294 -3.394 3.099 1.00 51.58 N ATOM 2939 CZ ARG C 117 28.667 -4.542 3.685 1.00 57.63 C ATOM 2940 NH1 ARG C 117 29.696 -5.268 3.223 1.00 56.87 N ATOM 2941 NH2 ARG C 117 27.922 -5.009 4.730 1.00 58.02 N ATOM 2942 HE ARG C 117 27.412 -2.967 3.447 1.00 0.00 H ATOM 2943 HH12 ARG C 117 29.962 -6.154 3.698 1.00 0.00 H ATOM 2944 HH11 ARG C 117 30.228 -4.945 2.390 1.00 0.00 H ATOM 2945 HH22 ARG C 117 28.188 -5.896 5.203 1.00 0.00 H ATOM 2946 HH21 ARG C 117 27.089 -4.477 5.053 1.00 0.00 H ATOM 2947 H ARG C 117 26.251 -1.078 -1.012 1.00 0.00 H ATOM 2948 N LEU C 118 27.934 1.136 -2.202 1.00 45.41 N ATOM 2949 CA LEU C 118 28.341 1.816 -3.400 1.00 42.89 C ATOM 2950 C LEU C 118 27.890 3.305 -3.300 1.00 42.53 C ATOM 2951 O LEU C 118 26.925 3.660 -2.606 1.00 39.00 O ATOM 2952 CB LEU C 118 27.686 1.178 -4.634 1.00 46.09 C ATOM 2953 CG LEU C 118 28.097 -0.250 -4.952 1.00 47.88 C ATOM 2954 CD1 LEU C 118 27.508 -0.612 -6.317 1.00 47.56 C ATOM 2955 CD2 LEU C 118 29.579 -0.486 -5.086 1.00 49.78 C ATOM 2956 H LEU C 118 26.913 1.083 -2.012 1.00 0.00 H ATOM 2957 N ALA C 119 28.604 4.171 -3.973 1.00 41.49 N ATOM 2958 CA ALA C 119 28.135 5.537 -4.277 1.00 41.07 C ATOM 2959 C ALA C 119 27.904 5.612 -5.813 1.00 39.15 C ATOM 2960 O ALA C 119 28.845 5.251 -6.610 1.00 37.17 O ATOM 2961 CB ALA C 119 29.235 6.532 -3.919 1.00 39.45 C ATOM 2962 H ALA C 119 29.545 3.883 -4.309 1.00 0.00 H ATOM 2963 N GLU C 120 26.794 6.176 -6.207 1.00 33.47 N ATOM 2964 CA GLU C 120 26.525 6.384 -7.638 1.00 36.25 C ATOM 2965 C GLU C 120 26.753 7.877 -7.949 1.00 37.50 C ATOM 2966 O GLU C 120 26.317 8.800 -7.193 1.00 32.96 O ATOM 2967 CB GLU C 120 25.060 6.055 -7.960 1.00 36.42 C ATOM 2968 H GLU C 120 26.093 6.481 -5.502 1.00 0.00 H ATOM 2969 N GLY C 121 27.300 8.120 -9.138 1.00 37.88 N ATOM 2970 CA GLY C 121 27.380 9.479 -9.615 1.00 42.19 C ATOM 2971 C GLY C 121 27.617 9.591 -11.110 1.00 42.30 C ATOM 2972 O GLY C 121 27.516 8.622 -11.826 1.00 38.12 O ATOM 2973 H GLY C 121 27.666 7.338 -9.717 1.00 0.00 H ATOM 2974 N PRO C 122 27.842 10.821 -11.582 1.00 45.17 N ATOM 2975 CA PRO C 122 27.921 11.066 -13.011 1.00 45.05 C ATOM 2976 C PRO C 122 29.065 10.374 -13.701 1.00 51.27 C ATOM 2977 O PRO C 122 30.114 10.092 -13.068 1.00 45.27 O ATOM 2978 CB PRO C 122 28.113 12.591 -13.098 1.00 48.23 C ATOM 2979 CG PRO C 122 28.495 13.077 -11.742 1.00 46.57 C ATOM 2980 CD PRO C 122 27.990 12.053 -10.768 1.00 45.33 C ATOM 2981 N ALA C 123 28.945 10.174 -15.026 1.00 52.80 N ATOM 2982 CA ALA C 123 30.149 9.783 -15.826 1.00 55.96 C ATOM 2983 C ALA C 123 31.231 10.916 -15.800 1.00 56.41 C ATOM 2984 O ALA C 123 30.913 12.066 -15.469 1.00 48.95 O ATOM 2985 CB ALA C 123 29.757 9.393 -17.234 1.00 53.68 C ATOM 2986 H ALA C 123 28.022 10.290 -15.492 1.00 0.00 H ATOM 2987 N ASP C 124 32.492 10.596 -16.057 1.00 63.47 N ATOM 2988 CA ASP C 124 33.490 11.650 -16.413 1.00 73.66 C ATOM 2989 C ASP C 124 33.632 12.734 -15.302 1.00 77.41 C ATOM 2990 O ASP C 124 34.743 13.131 -14.854 1.00 78.34 O ATOM 2991 CB ASP C 124 33.058 12.257 -17.775 1.00 77.73 C ATOM 2992 CG ASP C 124 34.138 13.115 -18.445 1.00 87.37 C ATOM 2993 OD1 ASP C 124 34.494 14.177 -17.873 1.00 91.61 O ATOM 2994 OD2 ASP C 124 34.589 12.766 -19.578 1.00 89.96 O ATOM 2995 H ASP C 124 32.790 9.601 -16.010 1.00 0.00 H TER 2996 ASP C 124 HETATM 2997 ZN ZN A 1 24.004 26.974 10.000 1.00 20.83 ZN HETATM 2998 ZN ZN A 2 43.138 11.116 30.018 1.00 27.32 ZN HETATM 2999 ZN ZN A 3 36.919 0.917 -1.148 1.00 31.07 ZN HETATM 3000 O HOH 4 30.144 6.138 7.978 1.00 51.86 O HETATM 3001 O HOH 5 33.213 14.788 -13.091 1.00 56.44 O HETATM 3002 O HOH 6 14.089 24.500 -5.147 1.00 39.35 O HETATM 3003 O HOH 7 28.542 12.985 3.638 1.00 25.50 O HETATM 3004 O HOH 8 7.939 15.823 0.142 1.00 32.47 O HETATM 3005 O HOH 9 10.149 23.009 -10.312 1.00 40.52 O HETATM 3006 O HOH 10 27.708 20.273 -3.809 1.00 49.49 O HETATM 3007 O HOH 11 30.290 16.795 4.702 1.00 33.95 O HETATM 3008 O HOH 12 32.090 20.717 10.508 1.00 33.94 O HETATM 3009 O HOH 13 9.235 9.467 8.354 1.00 51.39 O HETATM 3010 O HOH 14 15.771 12.628 -14.213 1.00 47.78 O HETATM 3011 O HOH 15 21.213 25.950 -7.099 1.00 28.56 O HETATM 3012 O HOH 16 14.286 16.237 -14.086 1.00 37.49 O HETATM 3013 O HOH 17 31.434 16.191 8.044 1.00 25.74 O HETATM 3014 O HOH 18 15.280 30.027 6.095 1.00 48.12 O HETATM 3015 O HOH 19 23.427 22.417 -13.454 1.00 39.04 O HETATM 3016 O HOH 20 28.171 32.429 8.467 1.00 42.08 O HETATM 3017 O HOH 21 29.644 24.310 6.411 1.00 36.40 O HETATM 3018 O HOH 22 10.607 15.406 -14.235 1.00 27.70 O HETATM 3019 O HOH 23 23.272 11.585 12.148 1.00 44.02 O HETATM 3020 O HOH 24 14.738 22.289 -7.019 1.00 42.91 O HETATM 3021 O HOH 25 32.120 17.178 2.465 1.00 38.57 O HETATM 3022 O HOH 26 14.874 18.546 -15.998 1.00 30.06 O HETATM 3023 O HOH 27 29.680 22.871 15.669 1.00 27.33 O HETATM 3024 O HOH 28 16.112 21.557 20.240 1.00 30.70 O HETATM 3025 O HOH 29 23.231 5.476 -4.070 1.00 50.03 O HETATM 3026 O HOH 30 8.156 11.455 5.196 1.00 27.40 O HETATM 3027 O HOH 31 12.489 9.165 -8.864 1.00 42.92 O HETATM 3028 O HOH 32 3.706 15.360 -4.307 1.00 37.75 O HETATM 3029 O HOH 33 20.281 24.494 -9.332 1.00 25.00 O HETATM 3030 O HOH 34 29.315 20.894 8.534 1.00 33.28 O HETATM 3031 O HOH 35 30.692 14.798 2.193 1.00 53.06 O HETATM 3032 O HOH 36 25.404 21.289 -5.871 1.00 44.90 O HETATM 3033 O HOH 37 30.793 20.200 14.783 1.00 36.39 O HETATM 3034 O HOH 38 26.830 22.178 8.654 1.00 24.99 O HETATM 3035 O HOH 39 19.636 5.547 8.905 1.00 49.84 O HETATM 3036 O HOH 40 29.377 24.680 3.460 1.00 28.86 O HETATM 3037 O HOH 41 31.789 23.637 13.989 1.00 43.66 O HETATM 3038 O HOH 42 7.421 20.243 -8.551 1.00 31.66 O HETATM 3039 O HOH 43 31.857 19.692 -4.234 1.00 35.77 O HETATM 3040 O HOH 44 6.373 18.103 2.194 1.00 37.36 O HETATM 3041 O HOH 45 11.467 8.321 10.913 1.00 36.73 O HETATM 3042 O HOH 46 11.008 13.869 14.894 1.00 27.99 O HETATM 3043 O HOH 47 23.490 13.992 11.870 1.00 35.48 O HETATM 3044 O HOH 48 22.583 4.651 -1.920 1.00 46.10 O HETATM 3045 O HOH 49 29.078 30.444 5.245 1.00 39.90 O HETATM 3046 O HOH 50 16.410 7.707 -9.098 1.00 37.50 O HETATM 3047 O HOH 51 5.793 17.299 -2.658 1.00 30.78 O HETATM 3048 O HOH 52 16.478 15.201 -13.640 1.00 37.90 O HETATM 3049 O HOH 53 21.317 8.897 13.821 1.00 47.66 O HETATM 3050 O HOH 54 9.549 9.237 -6.424 1.00 43.18 O HETATM 3051 O HOH 55 8.715 12.051 -12.095 1.00 39.67 O HETATM 3052 O HOH 56 22.925 14.913 -16.447 1.00 44.43 O HETATM 3053 O HOH 57 14.997 3.869 5.155 1.00 45.27 O HETATM 3054 O HOH 58 10.386 25.518 14.384 1.00 54.65 O HETATM 3055 O HOH 59 28.170 10.782 6.536 1.00 38.76 O HETATM 3056 O HOH 60 30.791 19.103 9.021 1.00 32.52 O HETATM 3057 O HOH 61 10.049 11.559 -10.131 1.00 27.16 O HETATM 3058 O HOH 62 25.484 20.834 -12.211 1.00 43.54 O HETATM 3059 O HOH 63 2.592 17.877 -3.570 1.00 45.32 O HETATM 3060 O HOH 64 13.553 6.952 12.303 1.00 53.69 O HETATM 3061 O HOH 65 17.108 2.153 6.354 1.00 62.72 O HETATM 3062 O HOH 66 15.630 6.571 -5.371 1.00 45.41 O HETATM 3063 O HOH 67 5.629 21.284 -6.677 1.00 48.87 O HETATM 3064 O HOH 68 12.891 11.468 -16.111 1.00 44.27 O HETATM 3065 O HOH 69 23.095 27.392 -7.750 1.00 43.98 O HETATM 3066 O HOH 70 28.897 28.294 9.057 1.00 34.33 O HETATM 3067 O HOH 71 32.758 26.588 9.212 1.00 49.00 O HETATM 3068 O HOH 72 6.420 9.964 4.054 1.00 38.58 O HETATM 3069 O HOH 73 7.852 7.496 -0.103 1.00 43.86 O HETATM 3070 O HOH 74 15.522 20.148 25.665 1.00 51.03 O HETATM 3071 O HOH 75 30.241 26.826 7.348 1.00 38.05 O HETATM 3072 O HOH 76 32.620 20.179 -11.487 1.00 55.84 O HETATM 3073 O HOH 77 14.609 5.795 -9.619 1.00 57.91 O HETATM 3074 O HOH 78 31.436 30.515 8.301 1.00 46.67 O HETATM 3075 O HOH 79 49.331 -0.969 14.827 1.00 49.86 O HETATM 3076 O HOH 80 15.422 9.604 26.131 1.00 45.23 O HETATM 3077 O HOH 81 36.111 -5.212 14.379 1.00 43.00 O HETATM 3078 O HOH 82 47.184 7.423 19.890 1.00 33.59 O HETATM 3079 O HOH 83 39.235 17.427 27.915 1.00 44.45 O HETATM 3080 O HOH 84 47.075 10.716 17.045 1.00 41.09 O HETATM 3081 O HOH 85 28.416 10.048 9.052 1.00 29.18 O HETATM 3082 O HOH 86 35.865 18.688 22.013 1.00 41.09 O HETATM 3083 O HOH 87 16.259 -1.187 30.173 1.00 51.14 O HETATM 3084 O HOH 88 39.990 7.746 12.068 1.00 34.94 O HETATM 3085 O HOH 89 19.589 13.350 33.286 1.00 43.42 O HETATM 3086 O HOH 90 18.013 -1.628 22.589 1.00 50.03 O HETATM 3087 O HOH 91 19.388 9.050 36.827 1.00 65.89 O HETATM 3088 O HOH 92 39.643 15.699 15.906 1.00 38.73 O HETATM 3089 O HOH 93 41.202 17.527 18.938 1.00 40.82 O HETATM 3090 O HOH 94 28.767 -3.548 23.117 1.00 31.67 O HETATM 3091 O HOH 95 26.073 10.663 34.350 1.00 25.99 O HETATM 3092 O HOH 96 15.620 -0.635 25.959 1.00 42.49 O HETATM 3093 O HOH 97 32.142 14.627 10.298 1.00 19.48 O HETATM 3094 O HOH 98 31.564 1.416 11.795 1.00 35.24 O HETATM 3095 O HOH 99 21.836 -9.081 30.689 1.00 47.22 O HETATM 3096 O HOH 100 48.476 4.940 20.132 1.00 46.41 O HETATM 3097 O HOH 101 30.148 21.838 21.604 1.00 40.32 O HETATM 3098 O HOH 102 39.039 2.804 34.400 1.00 25.08 O HETATM 3099 O HOH 103 24.409 4.093 31.513 1.00 36.75 O HETATM 3100 O HOH 104 40.537 10.839 17.028 1.00 35.13 O HETATM 3101 O HOH 105 34.235 14.995 18.181 1.00 20.59 O HETATM 3102 O HOH 106 45.160 12.844 16.559 1.00 38.67 O HETATM 3103 O HOH 107 43.631 1.839 29.550 1.00 38.83 O HETATM 3104 O HOH 108 24.458 -7.200 24.589 1.00 39.68 O HETATM 3105 O HOH 109 23.495 9.966 33.943 1.00 29.62 O HETATM 3106 O HOH 110 28.127 12.141 10.692 1.00 22.81 O HETATM 3107 O HOH 111 37.107 17.532 29.674 1.00 36.69 O HETATM 3108 O HOH 112 26.736 20.553 28.065 1.00 51.51 O HETATM 3109 O HOH 113 16.600 22.666 25.181 1.00 30.10 O HETATM 3110 O HOH 114 28.261 5.305 37.492 1.00 44.55 O HETATM 3111 O HOH 115 23.473 11.922 14.935 1.00 33.88 O HETATM 3112 O HOH 116 24.945 26.030 26.751 1.00 24.09 O HETATM 3113 O HOH 117 40.890 14.376 25.771 1.00 25.18 O HETATM 3114 O HOH 118 34.441 11.494 10.210 1.00 21.19 O HETATM 3115 O HOH 119 15.823 8.469 33.492 1.00 44.72 O HETATM 3116 O HOH 120 32.005 3.975 38.044 1.00 46.98 O HETATM 3117 O HOH 121 36.226 -1.119 12.594 1.00 42.71 O HETATM 3118 O HOH 122 28.300 23.450 20.565 1.00 30.47 O HETATM 3119 O HOH 123 29.930 -1.346 26.746 1.00 25.06 O HETATM 3120 O HOH 124 25.767 12.428 12.197 1.00 26.49 O HETATM 3121 O HOH 125 32.709 17.078 19.283 1.00 22.02 O HETATM 3122 O HOH 126 37.790 -7.708 21.428 1.00 26.08 O HETATM 3123 O HOH 127 18.944 2.936 19.505 1.00 46.44 O HETATM 3124 O HOH 128 29.855 3.845 9.882 1.00 42.40 O HETATM 3125 O HOH 129 38.235 10.509 36.437 1.00 39.30 O HETATM 3126 O HOH 130 29.640 8.476 40.424 1.00 52.99 O HETATM 3127 O HOH 131 41.857 -1.953 16.564 1.00 28.15 O HETATM 3128 O HOH 132 47.224 10.858 23.191 1.00 40.87 O HETATM 3129 O HOH 133 32.189 18.668 21.379 1.00 42.99 O HETATM 3130 O HOH 134 26.684 -5.342 25.980 1.00 32.40 O HETATM 3131 O HOH 135 35.545 6.700 9.896 1.00 41.11 O HETATM 3132 O HOH 136 40.356 5.849 37.896 1.00 44.13 O HETATM 3133 O HOH 137 24.424 -10.707 27.109 1.00 37.69 O HETATM 3134 O HOH 138 47.620 13.837 21.765 1.00 54.49 O HETATM 3135 O HOH 139 26.600 -0.366 32.487 1.00 37.86 O HETATM 3136 O HOH 140 20.133 1.669 33.030 1.00 48.72 O HETATM 3137 O HOH 141 47.604 -5.416 17.185 1.00 55.31 O HETATM 3138 O HOH 142 43.183 1.044 31.608 1.00 50.33 O HETATM 3139 O HOH 143 24.940 -1.226 10.467 1.00 50.30 O HETATM 3140 O HOH 144 12.545 2.843 23.526 1.00 50.79 O HETATM 3141 O HOH 145 43.345 -2.810 13.243 1.00 63.02 O HETATM 3142 O HOH 146 49.883 12.655 26.242 1.00 53.03 O HETATM 3143 O HOH 147 21.122 5.607 16.099 1.00 41.02 O HETATM 3144 O HOH 148 28.404 16.210 30.251 1.00 49.89 O HETATM 3145 O HOH 149 24.278 -1.879 16.341 1.00 48.71 O HETATM 3146 O HOH 150 22.292 11.997 34.655 1.00 35.14 O HETATM 3147 O HOH 151 41.438 16.818 24.650 1.00 37.71 O HETATM 3148 O HOH 152 29.976 -4.966 15.759 1.00 39.09 O HETATM 3149 O HOH 153 50.639 -3.673 11.555 1.00 58.36 O HETATM 3150 O HOH 154 13.704 -10.407 20.421 1.00 61.93 O HETATM 3151 O HOH 155 18.727 9.201 39.513 1.00 53.07 O HETATM 3152 O HOH 156 17.565 19.443 30.280 1.00 51.23 O HETATM 3153 O HOH 157 21.546 16.547 33.166 1.00 56.96 O HETATM 3154 O HOH 158 21.735 -22.124 -0.104 1.00 68.22 O HETATM 3155 O HOH 159 37.337 5.899 4.064 1.00 50.03 O HETATM 3156 O HOH 160 41.367 -0.251 4.223 1.00 46.95 O HETATM 3157 O HOH 161 41.380 -5.058 -1.105 1.00 39.49 O HETATM 3158 O HOH 162 34.661 -15.984 -1.923 1.00 54.12 O HETATM 3159 O HOH 163 30.148 0.736 3.011 1.00 49.99 O HETATM 3160 O HOH 164 31.315 -11.239 -15.442 1.00 46.87 O HETATM 3161 O HOH 165 19.425 -9.302 -17.406 1.00 62.86 O HETATM 3162 O HOH 166 21.088 -5.071 -12.077 1.00 41.92 O HETATM 3163 O HOH 167 31.438 0.186 0.756 1.00 38.61 O HETATM 3164 O HOH 168 16.464 -13.051 -1.224 1.00 73.09 O HETATM 3165 O HOH 169 34.122 -12.039 -14.955 1.00 42.84 O HETATM 3166 O HOH 170 35.168 -7.365 -15.312 1.00 36.58 O HETATM 3167 O HOH 171 43.421 -3.527 -0.643 1.00 47.87 O HETATM 3168 O HOH 172 29.980 -7.218 5.090 1.00 63.80 O HETATM 3169 O HOH 173 26.979 0.066 3.745 1.00 60.17 O HETATM 3170 O HOH 174 34.670 7.878 1.581 1.00 48.35 O HETATM 3171 O HOH 175 39.052 1.417 -10.385 1.00 47.71 O HETATM 3172 O HOH 176 29.178 -13.644 1.476 1.00 48.99 O HETATM 3173 O HOH 177 17.308 2.360 -2.342 1.00 62.92 O HETATM 3174 O HOH 178 21.859 -2.352 -0.466 1.00 48.05 O HETATM 3175 O HOH 179 33.303 -4.784 4.489 1.00 44.67 O HETATM 3176 O HOH 180 19.241 -7.929 -19.546 1.00 57.15 O HETATM 3177 O HOH 181 18.480 2.329 -10.224 1.00 69.22 O HETATM 3178 O HOH 182 42.744 -0.928 -8.604 1.00 43.39 O HETATM 3179 O HOH 183 34.961 9.688 -14.278 1.00 45.18 O HETATM 3180 O HOH 184 20.158 -8.980 -13.954 1.00 52.05 O HETATM 3181 O HOH 185 27.829 -24.248 0.264 1.00 85.34 O HETATM 3182 O HOH 186 19.392 -11.074 11.894 1.00 89.71 O HETATM 3183 O HOH 187 41.231 0.526 -10.239 1.00 46.34 O HETATM 3184 O HOH 188 29.389 -26.384 -9.411 1.00 80.58 O HETATM 3185 O HOH 189 18.322 -19.599 0.055 1.00 84.80 O HETATM 3186 O HOH 190 28.887 -11.502 5.347 1.00 65.65 O HETATM 3187 O HOH 191 32.422 -13.230 -21.471 1.00 57.45 O HETATM 3188 O HOH 192 35.991 -19.129 2.246 1.00 80.08 O HETATM 3189 O HOH 193 45.495 -6.127 16.131 1.00 46.02 O HETATM 3190 C4 JOT A 194 22.415 13.993 26.165 1.00 0.23 C HETATM 3191 N1 JOT A 194 21.943 12.823 25.640 1.00 -0.20 N HETATM 3192 C1 JOT A 194 22.821 11.773 25.775 1.00 0.21 C HETATM 3193 C2 JOT A 194 23.979 12.230 26.617 1.00 0.08 C HETATM 3194 C3 JOT A 194 23.823 13.754 26.667 1.00 0.15 C HETATM 3195 N2 JOT A 194 23.989 14.278 27.995 1.00 -0.26 N HETATM 3196 C5 JOT A 194 24.448 15.509 28.226 1.00 0.19 C HETATM 3197 C6 JOT A 194 24.310 15.992 29.653 1.00 0.07 C HETATM 3198 C7 JOT A 194 23.380 17.177 29.751 1.00 -0.02 C HETATM 3199 C8 JOT A 194 23.872 18.473 29.711 1.00 -0.06 C HETATM 3200 C9 JOT A 194 23.016 19.559 29.801 1.00 -0.07 C HETATM 3201 C10 JOT A 194 21.663 19.364 29.932 1.00 -0.07 C HETATM 3202 C11 JOT A 194 21.159 18.088 29.973 1.00 -0.07 C HETATM 3203 C12 JOT A 194 22.012 16.998 29.883 1.00 -0.06 C HETATM 3204 H7 JOT A 194 21.604 15.994 29.916 1.00 0.06 H HETATM 3205 H3 JOT A 194 20.091 17.932 30.076 1.00 0.06 H HETATM 3206 H6 JOT A 194 20.995 20.215 30.003 1.00 0.06 H HETATM 3207 H5 JOT A 194 23.416 20.566 29.768 1.00 0.06 H HETATM 3208 H4 JOT A 194 24.938 18.638 29.608 1.00 0.06 H HETATM 3209 H1 JOT A 194 25.302 16.285 30.028 1.00 0.07 H HETATM 3210 H2 JOT A 194 23.911 15.173 30.270 1.00 0.07 H HETATM 3211 O3 JOT A 194 24.947 16.198 27.335 1.00 -0.39 O HETATM 3212 H9 JOT A 194 23.752 13.698 28.775 1.00 0.19 H HETATM 3213 H10 JOT A 194 24.556 14.233 26.002 1.00 0.08 H HETATM 3214 H11 JOT A 194 23.922 11.798 27.627 1.00 0.06 H HETATM 3215 H12 JOT A 194 24.935 11.950 26.151 1.00 0.06 H HETATM 3216 O1 JOT A 194 22.655 10.672 25.279 1.00 -0.39 O HETATM 3217 H8 JOT A 194 21.048 12.739 25.201 1.00 0.23 H HETATM 3218 O2 JOT A 194 21.806 15.045 26.219 1.00 -0.38 O CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 78 77 2997 CONECT 114 113 2997 CONECT 718 717 2997 CONECT 742 741 2997 CONECT 1031 1032 1036 1037 1038 CONECT 1036 1031 CONECT 1037 1031 CONECT 1038 1031 CONECT 1083 1082 2998 CONECT 1119 1118 2998 CONECT 1723 1722 2998 CONECT 1747 1746 2998 CONECT 2022 2023 2026 2027 2028 CONECT 2026 2022 CONECT 2027 2022 CONECT 2028 2022 CONECT 2086 2085 2999 CONECT 2122 2121 2999 CONECT 2695 2694 2999 CONECT 2719 2718 2999 CONECT 2997 78 114 718 742 CONECT 2998 1083 1119 1723 1747 CONECT 2999 2086 2122 2695 2719 CONECT 3190 3191 3194 3218 CONECT 3191 3190 3192 3217 CONECT 3192 3191 3193 3216 CONECT 3193 3192 3194 3214 3215 CONECT 3194 3190 3193 3195 3213 CONECT 3195 3194 3196 3212 CONECT 3196 3195 3197 3211 CONECT 3197 3196 3198 3209 3210 CONECT 3198 3197 3199 3203 CONECT 3199 3198 3200 3208 CONECT 3200 3199 3201 3207 CONECT 3201 3200 3202 3206 CONECT 3202 3201 3203 3205 CONECT 3203 3198 3202 3204 CONECT 3204 3203 CONECT 3205 3202 CONECT 3206 3201 CONECT 3207 3200 CONECT 3208 3199 CONECT 3209 3197 CONECT 3210 3197 CONECT 3211 3196 CONECT 3212 3195 CONECT 3213 3194 CONECT 3214 3193 CONECT 3215 3193 CONECT 3216 3192 CONECT 3217 3191 CONECT 3218 3190 MASTER 0 0 0 0 0 0 0 0 3215 3 56 27 END
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Related entries of code: 6r12
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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125aa, >5OH1_1|Chains... *
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5oh7
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5oh9
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PDBbind
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5oha
RCSB PDB
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125aa, >5OHA_1|Chains... at 100%
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RCSB PDB
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125aa, >6R1X_1|Chains... at 100%
6r1w
RCSB PDB
PDBbind
125aa, >6R1W_1|Chains... at 100%
6r1k
RCSB PDB
PDBbind
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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%
6r13
RCSB PDB
PDBbind
125aa, >6R13_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
6r12
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cereblon isoform 4
Ligand Name
JOT
EC.Number
E.C.-.-.-.-
Resolution
1.74(Å)
Affinity (Kd/Ki/IC50)
Ki=40uM
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
2
H
1
2
N
2
O
3
Molecular Weight
232.235
Exact Mass
232.085
No. of atoms
29
No. of bonds
30
Polar Surface Area
75.27
LOGP Value
0.00 (
Computed with XLOGP3
)
0.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
O=C(Cc1ccccc1)N[C@H]1CC(=O)NC1=O
InChI String
InChI=1S/C12H12N2O3/c15-10(6-8-4-2-1-3-5-8)13-9-7-11(16)14-12(9)17/h1-5,9H,6-7H2,(H,13,15)(H,14,16,17)/t9-/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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