Browse entries in the PDBbind-CN Database
HEADER 6R0S_COMPLEX COMPND 6R0S_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 PRO GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN SEQRES 2 C 107 THR ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY SEQRES 3 C 107 ASP HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE SEQRES 4 C 107 PHE ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG SEQRES 5 C 107 LEU ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS SEQRES 6 C 107 GLY TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SEQRES 7 C 107 SER HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO SEQRES 8 C 107 GLN THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU SEQRES 9 C 107 GLY PRO ALA HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET JOH A 548 28 ATOM 1 N ALA A 16 11.031 12.255 26.765 1.00 38.36 N ATOM 2 CA ALA A 16 12.268 13.079 26.494 1.00 37.55 C ATOM 3 C ALA A 16 13.168 12.482 25.404 1.00 37.15 C ATOM 4 O ALA A 16 14.304 12.077 25.687 1.00 35.74 O ATOM 5 CB ALA A 16 13.065 13.265 27.784 1.00 38.67 C ATOM 6 HN3 ALA A 16 11.311 11.303 27.076 1.00 0.00 H ATOM 7 HN2 ALA A 16 10.466 12.184 25.895 1.00 0.00 H ATOM 8 HN1 ALA A 16 10.468 12.712 27.510 1.00 0.00 H ATOM 9 N PRO A 17 12.689 12.441 24.151 1.00 36.51 N ATOM 10 CA PRO A 17 13.533 11.859 23.101 1.00 36.37 C ATOM 11 C PRO A 17 14.762 12.723 22.822 1.00 34.29 C ATOM 12 O PRO A 17 14.672 13.945 22.894 1.00 34.69 O ATOM 13 CB PRO A 17 12.610 11.821 21.878 1.00 36.32 C ATOM 14 CG PRO A 17 11.552 12.823 22.156 1.00 36.60 C ATOM 15 CD PRO A 17 11.368 12.850 23.636 1.00 37.38 C ATOM 16 N GLY A 18 15.898 12.089 22.568 1.00 34.47 N ATOM 17 CA GLY A 18 17.144 12.796 22.217 1.00 34.48 C ATOM 18 C GLY A 18 17.493 12.748 20.741 1.00 34.97 C ATOM 19 O GLY A 18 18.477 13.353 20.322 1.00 36.60 O ATOM 20 H GLY A 18 15.911 11.050 22.618 1.00 0.00 H ATOM 21 N ALA A 19 16.703 12.023 19.957 1.00 36.31 N ATOM 22 CA ALA A 19 16.958 11.879 18.515 1.00 36.43 C ATOM 23 C ALA A 19 15.710 12.330 17.783 1.00 35.47 C ATOM 24 O ALA A 19 14.980 11.520 17.168 1.00 39.32 O ATOM 25 CB ALA A 19 17.301 10.432 18.165 1.00 37.69 C ATOM 26 H ALA A 19 15.880 11.543 20.375 1.00 0.00 H ATOM 27 N SER A 20 15.436 13.623 17.892 1.00 32.68 N ATOM 28 CA SER A 20 14.174 14.160 17.423 1.00 30.99 C ATOM 29 C SER A 20 14.301 15.171 16.309 1.00 28.24 C ATOM 30 O SER A 20 13.572 15.065 15.312 1.00 27.41 O ATOM 31 CB SER A 20 13.372 14.751 18.570 1.00 32.47 C ATOM 32 OG SER A 20 12.081 15.035 18.116 1.00 33.65 O ATOM 33 HG SER A 20 12.130 15.684 17.370 1.00 0.00 H ATOM 34 H SER A 20 16.137 14.261 18.320 1.00 0.00 H ATOM 35 N ILE A 21 15.189 16.138 16.494 1.00 25.05 N ATOM 36 CA ILE A 21 15.297 17.313 15.631 1.00 23.99 C ATOM 37 C ILE A 21 16.696 17.306 15.027 1.00 21.55 C ATOM 38 O ILE A 21 17.659 16.872 15.661 1.00 21.75 O ATOM 39 CB ILE A 21 15.158 18.613 16.469 1.00 26.11 C ATOM 40 CG1 ILE A 21 13.793 18.740 17.130 1.00 29.19 C ATOM 41 CG2 ILE A 21 15.483 19.874 15.704 1.00 26.69 C ATOM 42 CD1 ILE A 21 12.669 18.440 16.241 1.00 30.81 C ATOM 43 H ILE A 21 15.845 16.056 17.297 1.00 0.00 H ATOM 44 N PHE A 22 16.801 17.736 13.774 1.00 18.64 N ATOM 45 CA PHE A 22 18.064 17.990 13.118 1.00 18.19 C ATOM 46 C PHE A 22 18.314 19.488 13.019 1.00 17.51 C ATOM 47 O PHE A 22 17.460 20.220 12.517 1.00 17.28 O ATOM 48 CB PHE A 22 18.100 17.373 11.732 1.00 17.65 C ATOM 49 CG PHE A 22 18.089 15.890 11.758 1.00 18.33 C ATOM 50 CD1 PHE A 22 19.273 15.172 11.932 1.00 19.28 C ATOM 51 CD2 PHE A 22 16.901 15.192 11.591 1.00 19.05 C ATOM 52 CE1 PHE A 22 19.254 13.775 11.973 1.00 20.50 C ATOM 53 CE2 PHE A 22 16.902 13.799 11.593 1.00 19.91 C ATOM 54 CZ PHE A 22 18.083 13.107 11.765 1.00 19.77 C ATOM 55 H PHE A 22 15.926 17.899 13.236 1.00 0.00 H ATOM 56 N ARG A 23 19.465 19.911 13.500 1.00 16.85 N ATOM 57 CA ARG A 23 19.931 21.276 13.420 1.00 16.85 C ATOM 58 C ARG A 23 21.174 21.386 12.556 1.00 16.32 C ATOM 59 O ARG A 23 21.884 20.417 12.363 1.00 16.33 O ATOM 60 CB ARG A 23 20.270 21.778 14.842 1.00 17.85 C ATOM 61 CG ARG A 23 19.082 21.833 15.742 1.00 19.01 C ATOM 62 CD ARG A 23 19.369 22.482 17.104 1.00 19.95 C ATOM 63 NE ARG A 23 18.114 22.570 17.815 1.00 20.90 N ATOM 64 CZ ARG A 23 17.167 23.489 17.616 1.00 22.04 C ATOM 65 NH1 ARG A 23 17.356 24.511 16.807 1.00 22.64 N ATOM 66 NH2 ARG A 23 16.043 23.417 18.285 1.00 23.87 N ATOM 67 HE ARG A 23 17.933 21.854 18.547 1.00 0.00 H ATOM 68 HH12 ARG A 23 16.601 25.213 16.670 1.00 0.00 H ATOM 69 HH11 ARG A 23 18.261 24.616 16.305 1.00 0.00 H ATOM 70 HH22 ARG A 23 15.301 24.130 18.134 1.00 0.00 H ATOM 71 HH21 ARG A 23 15.892 22.646 18.967 1.00 0.00 H ATOM 72 H ARG A 23 20.080 19.215 13.969 1.00 0.00 H ATOM 73 N CYS A 24 21.455 22.589 12.050 1.00 16.13 N ATOM 74 CA CYS A 24 22.699 22.834 11.372 1.00 16.06 C ATOM 75 C CYS A 24 23.857 22.593 12.342 1.00 16.86 C ATOM 76 O CYS A 24 23.847 23.128 13.463 1.00 16.83 O ATOM 77 CB CYS A 24 22.752 24.237 10.826 1.00 16.37 C ATOM 78 SG CYS A 24 24.369 24.688 10.114 1.00 16.90 S ATOM 79 H CYS A 24 20.764 23.360 12.148 1.00 0.00 H ATOM 80 N ARG A 25 24.809 21.767 11.929 1.00 16.93 N ATOM 81 CA ARG A 25 25.968 21.462 12.748 1.00 17.97 C ATOM 82 C ARG A 25 26.831 22.665 13.102 1.00 18.41 C ATOM 83 O ARG A 25 27.486 22.684 14.148 1.00 19.83 O ATOM 84 CB ARG A 25 26.804 20.416 12.025 1.00 18.97 C ATOM 85 CG ARG A 25 28.075 20.056 12.720 1.00 19.22 C ATOM 86 CD ARG A 25 28.733 18.955 11.965 1.00 18.83 C ATOM 87 NE ARG A 25 29.997 18.707 12.564 1.00 18.98 N ATOM 88 CZ ARG A 25 30.864 17.791 12.168 1.00 18.94 C ATOM 89 NH1 ARG A 25 30.572 16.972 11.143 1.00 17.89 N ATOM 90 NH2 ARG A 25 32.026 17.700 12.814 1.00 19.48 N ATOM 91 HE ARG A 25 30.262 19.294 13.381 1.00 0.00 H ATOM 92 HH12 ARG A 25 31.260 16.254 10.838 1.00 0.00 H ATOM 93 HH11 ARG A 25 29.658 17.056 10.654 1.00 0.00 H ATOM 94 HH22 ARG A 25 32.728 16.989 12.525 1.00 0.00 H ATOM 95 HH21 ARG A 25 32.231 18.340 13.608 1.00 0.00 H ATOM 96 H ARG A 25 24.723 21.325 10.991 1.00 0.00 H ATOM 97 N GLN A 26 26.866 23.644 12.220 1.00 18.87 N ATOM 98 CA GLN A 26 27.726 24.831 12.402 1.00 20.20 C ATOM 99 C GLN A 26 27.140 25.888 13.309 1.00 20.04 C ATOM 100 O GLN A 26 27.869 26.536 14.036 1.00 22.32 O ATOM 101 CB GLN A 26 28.115 25.421 11.049 1.00 22.19 C ATOM 102 CG GLN A 26 28.839 24.434 10.163 1.00 23.43 C ATOM 103 CD GLN A 26 30.093 23.847 10.802 1.00 25.87 C ATOM 104 OE1 GLN A 26 30.840 24.536 11.472 1.00 27.84 O ATOM 105 NE2 GLN A 26 30.296 22.545 10.625 1.00 28.73 N ATOM 106 HE22 GLN A 26 29.635 21.990 10.045 1.00 0.00 H ATOM 107 HE21 GLN A 26 31.116 22.082 11.066 1.00 0.00 H ATOM 108 H GLN A 26 26.270 23.579 11.370 1.00 0.00 H ATOM 109 N CYS A 27 25.829 26.070 13.305 1.00 18.51 N ATOM 110 CA CYS A 27 25.209 27.196 14.011 1.00 18.75 C ATOM 111 C CYS A 27 23.962 26.865 14.822 1.00 19.18 C ATOM 112 O CYS A 27 23.472 27.696 15.572 1.00 20.00 O ATOM 113 CB CYS A 27 24.907 28.304 13.012 1.00 18.28 C ATOM 114 SG CYS A 27 23.468 27.925 12.004 1.00 17.46 S ATOM 115 H CYS A 27 25.225 25.399 12.789 1.00 0.00 H ATOM 116 N GLY A 28 23.406 25.665 14.662 1.00 18.51 N ATOM 117 CA GLY A 28 22.244 25.276 15.413 1.00 17.74 C ATOM 118 C GLY A 28 20.879 25.626 14.859 1.00 18.15 C ATOM 119 O GLY A 28 19.838 25.306 15.478 1.00 18.58 O ATOM 120 H GLY A 28 23.821 24.997 13.981 1.00 0.00 H ATOM 121 N GLN A 29 20.827 26.278 13.694 1.00 18.04 N ATOM 122 CA GLN A 29 19.525 26.547 13.055 1.00 18.33 C ATOM 123 C GLN A 29 18.686 25.284 12.945 1.00 18.04 C ATOM 124 O GLN A 29 19.186 24.255 12.555 1.00 18.40 O ATOM 125 CB GLN A 29 19.782 27.053 11.621 1.00 19.18 C ATOM 126 CG GLN A 29 18.557 27.242 10.748 1.00 19.79 C ATOM 127 CD GLN A 29 17.968 28.613 10.858 1.00 21.38 C ATOM 128 OE1 GLN A 29 17.794 29.129 11.940 1.00 21.73 O ATOM 129 NE2 GLN A 29 17.656 29.224 9.706 1.00 22.49 N ATOM 130 HE22 GLN A 29 17.823 28.742 8.800 1.00 0.00 H ATOM 131 HE21 GLN A 29 17.247 30.180 9.719 1.00 0.00 H ATOM 132 H GLN A 29 21.705 26.596 13.237 1.00 0.00 H ATOM 133 N THR A 30 17.414 25.383 13.285 1.00 18.43 N ATOM 134 CA THR A 30 16.515 24.216 13.183 1.00 18.59 C ATOM 135 C THR A 30 16.300 23.900 11.707 1.00 17.93 C ATOM 136 O THR A 30 15.980 24.813 10.955 1.00 17.86 O ATOM 137 CB THR A 30 15.133 24.497 13.807 1.00 20.32 C ATOM 138 OG1 THR A 30 15.273 25.149 15.080 1.00 23.57 O ATOM 139 CG2 THR A 30 14.383 23.227 13.923 1.00 20.97 C ATOM 140 HG1 THR A 30 14.376 25.320 15.462 1.00 0.00 H ATOM 141 H THR A 30 17.042 26.292 13.628 1.00 0.00 H ATOM 142 N ILE A 31 16.494 22.653 11.296 1.00 17.29 N ATOM 143 CA ILE A 31 16.409 22.285 9.874 1.00 17.48 C ATOM 144 C ILE A 31 15.346 21.227 9.592 1.00 17.97 C ATOM 145 O ILE A 31 14.567 21.398 8.686 1.00 18.88 O ATOM 146 CB ILE A 31 17.759 21.784 9.282 1.00 16.97 C ATOM 147 CG1 ILE A 31 18.876 22.794 9.452 1.00 17.29 C ATOM 148 CG2 ILE A 31 17.592 21.417 7.797 1.00 16.89 C ATOM 149 CD1 ILE A 31 18.693 24.115 8.751 1.00 17.21 C ATOM 150 H ILE A 31 16.712 21.917 11.997 1.00 0.00 H ATOM 151 N SER A 32 15.342 20.106 10.289 1.00 18.20 N ATOM 152 CA SER A 32 14.332 19.072 10.004 1.00 18.92 C ATOM 153 C SER A 32 14.081 18.188 11.209 1.00 19.89 C ATOM 154 O SER A 32 14.499 18.540 12.330 1.00 19.09 O ATOM 155 CB SER A 32 14.712 18.273 8.744 1.00 18.46 C ATOM 156 OG SER A 32 13.595 17.530 8.290 1.00 19.14 O ATOM 157 HG SER A 32 12.854 18.150 8.073 1.00 0.00 H ATOM 158 H SER A 32 16.049 19.953 11.036 1.00 0.00 H ATOM 159 N ARG A 33 13.413 17.059 11.006 1.00 20.87 N ATOM 160 CA ARG A 33 12.986 16.192 12.098 1.00 22.09 C ATOM 161 C ARG A 33 13.111 14.763 11.642 1.00 21.96 C ATOM 162 O ARG A 33 12.859 14.451 10.467 1.00 19.88 O ATOM 163 CB ARG A 33 11.516 16.433 12.510 1.00 24.36 C ATOM 164 CG ARG A 33 11.186 17.876 12.844 1.00 26.61 C ATOM 165 CD ARG A 33 9.737 18.057 13.252 1.00 30.16 C ATOM 166 NE ARG A 33 9.555 17.597 14.617 1.00 34.09 N ATOM 167 CZ ARG A 33 9.691 18.352 15.709 1.00 37.31 C ATOM 168 NH1 ARG A 33 10.009 19.650 15.638 1.00 38.66 N ATOM 169 NH2 ARG A 33 9.514 17.806 16.907 1.00 38.61 N ATOM 170 HE ARG A 33 9.298 16.599 14.755 1.00 0.00 H ATOM 171 HH12 ARG A 33 10.107 20.210 16.509 1.00 0.00 H ATOM 172 HH11 ARG A 33 10.158 20.099 14.712 1.00 0.00 H ATOM 173 HH22 ARG A 33 9.618 18.387 17.764 1.00 0.00 H ATOM 174 HH21 ARG A 33 9.272 16.798 16.988 1.00 0.00 H ATOM 175 H ARG A 33 13.185 16.782 10.030 1.00 0.00 H ATOM 176 N ARG A 34 13.427 13.872 12.576 1.00 22.18 N ATOM 177 CA ARG A 34 13.465 12.460 12.278 1.00 23.76 C ATOM 178 C ARG A 34 12.118 11.931 11.718 1.00 23.22 C ATOM 179 O ARG A 34 12.095 11.078 10.825 1.00 21.94 O ATOM 180 CB ARG A 34 13.890 11.655 13.519 1.00 26.21 C ATOM 181 CG ARG A 34 13.969 10.150 13.275 1.00 29.10 C ATOM 182 CD ARG A 34 14.892 9.418 14.263 1.00 32.19 C ATOM 183 NE ARG A 34 16.307 9.607 13.914 1.00 33.80 N ATOM 184 CZ ARG A 34 17.024 8.855 13.067 1.00 35.46 C ATOM 185 NH1 ARG A 34 16.531 7.766 12.453 1.00 37.28 N ATOM 186 NH2 ARG A 34 18.282 9.185 12.845 1.00 36.88 N ATOM 187 HE ARG A 34 16.800 10.402 14.369 1.00 0.00 H ATOM 188 HH12 ARG A 34 17.132 7.218 11.805 1.00 0.00 H ATOM 189 HH11 ARG A 34 15.549 7.471 12.626 1.00 0.00 H ATOM 190 HH22 ARG A 34 18.861 8.619 12.192 1.00 0.00 H ATOM 191 HH21 ARG A 34 18.695 10.011 13.323 1.00 0.00 H ATOM 192 H ARG A 34 13.651 14.198 13.538 1.00 0.00 H ATOM 193 N ASP A 35 11.021 12.479 12.242 1.00 23.91 N ATOM 194 CA ASP A 35 9.686 12.110 11.796 1.00 25.08 C ATOM 195 C ASP A 35 9.477 12.361 10.312 1.00 23.64 C ATOM 196 O ASP A 35 8.566 11.774 9.718 1.00 24.08 O ATOM 197 CB ASP A 35 8.619 12.885 12.585 1.00 27.31 C ATOM 198 CG ASP A 35 8.392 12.334 13.978 1.00 30.28 C ATOM 199 OD1 ASP A 35 8.895 11.231 14.296 1.00 33.12 O ATOM 200 OD2 ASP A 35 7.705 13.028 14.752 1.00 33.80 O ATOM 201 H ASP A 35 11.123 13.192 12.992 1.00 0.00 H ATOM 202 N TRP A 36 10.277 13.256 9.729 1.00 21.89 N ATOM 203 CA TRP A 36 10.126 13.676 8.326 1.00 21.46 C ATOM 204 C TRP A 36 11.070 12.958 7.380 1.00 20.63 C ATOM 205 O TRP A 36 11.098 13.285 6.192 1.00 19.73 O ATOM 206 CB TRP A 36 10.308 15.184 8.203 1.00 21.40 C ATOM 207 CG TRP A 36 9.337 16.004 8.984 1.00 22.82 C ATOM 208 CD1 TRP A 36 8.125 15.608 9.487 1.00 23.82 C ATOM 209 CD2 TRP A 36 9.443 17.392 9.280 1.00 23.97 C ATOM 210 NE1 TRP A 36 7.506 16.645 10.112 1.00 25.66 N ATOM 211 CE2 TRP A 36 8.261 17.767 9.968 1.00 24.98 C ATOM 212 CE3 TRP A 36 10.428 18.359 9.054 1.00 23.95 C ATOM 213 CZ2 TRP A 36 8.050 19.066 10.437 1.00 25.50 C ATOM 214 CZ3 TRP A 36 10.224 19.636 9.519 1.00 24.46 C ATOM 215 CH2 TRP A 36 9.045 19.988 10.211 1.00 25.20 C ATOM 216 HE1 TRP A 36 6.600 16.589 10.619 1.00 0.00 H ATOM 217 H TRP A 36 11.043 13.677 10.292 1.00 0.00 H ATOM 218 N LEU A 37 11.797 11.966 7.867 1.00 21.17 N ATOM 219 CA LEU A 37 12.594 11.123 6.975 1.00 21.67 C ATOM 220 C LEU A 37 11.710 10.470 5.904 1.00 21.47 C ATOM 221 O LEU A 37 10.570 10.063 6.177 1.00 21.49 O ATOM 222 CB LEU A 37 13.366 10.064 7.735 1.00 22.80 C ATOM 223 CG LEU A 37 14.608 10.573 8.453 1.00 23.26 C ATOM 224 CD1 LEU A 37 15.097 9.569 9.504 1.00 24.87 C ATOM 225 CD2 LEU A 37 15.695 10.903 7.467 1.00 23.19 C ATOM 226 H LEU A 37 11.802 11.784 8.891 1.00 0.00 H ATOM 227 N LEU A 38 12.204 10.461 4.685 1.00 21.27 N ATOM 228 CA LEU A 38 11.441 10.042 3.513 1.00 22.18 C ATOM 229 C LEU A 38 12.177 8.912 2.794 1.00 23.50 C ATOM 230 O LEU A 38 13.259 9.143 2.244 1.00 22.76 O ATOM 231 CB LEU A 38 11.289 11.222 2.559 1.00 22.23 C ATOM 232 CG LEU A 38 10.627 10.930 1.204 1.00 22.84 C ATOM 233 CD1 LEU A 38 9.200 10.446 1.476 1.00 23.50 C ATOM 234 CD2 LEU A 38 10.670 12.185 0.344 1.00 23.31 C ATOM 235 H LEU A 38 13.188 10.768 4.549 1.00 0.00 H ATOM 236 N PRO A 39 11.599 7.695 2.795 1.00 24.51 N ATOM 237 CA PRO A 39 12.305 6.606 2.121 1.00 25.36 C ATOM 238 C PRO A 39 12.157 6.555 0.595 1.00 26.11 C ATOM 239 O PRO A 39 11.401 5.723 0.073 1.00 27.30 O ATOM 240 CB PRO A 39 11.738 5.346 2.784 1.00 26.13 C ATOM 241 CG PRO A 39 10.494 5.733 3.493 1.00 25.97 C ATOM 242 CD PRO A 39 10.403 7.224 3.529 1.00 25.22 C ATOM 243 N MET A 40 12.984 7.324 -0.115 1.00 26.67 N ATOM 244 CA MET A 40 12.968 7.458 -1.579 1.00 27.20 C ATOM 245 C MET A 40 13.589 6.215 -2.193 1.00 28.08 C ATOM 246 O MET A 40 14.695 5.813 -1.797 1.00 27.24 O ATOM 247 CB MET A 40 13.794 8.678 -1.986 1.00 27.11 C ATOM 248 CG MET A 40 13.144 10.005 -1.677 1.00 27.66 C ATOM 249 SD MET A 40 11.617 10.165 -2.562 1.00 28.80 S ATOM 250 CE MET A 40 12.339 10.261 -4.191 1.00 28.47 C ATOM 251 H MET A 40 13.696 7.872 0.408 1.00 0.00 H ATOM 252 N GLY A 41 12.862 5.565 -3.091 1.00 28.65 N ATOM 253 CA GLY A 41 13.257 4.257 -3.611 1.00 30.63 C ATOM 254 C GLY A 41 13.560 3.207 -2.545 1.00 31.66 C ATOM 255 O GLY A 41 14.463 2.383 -2.736 1.00 33.25 O ATOM 256 H GLY A 41 11.983 5.999 -3.437 1.00 0.00 H ATOM 257 N GLY A 42 12.837 3.245 -1.426 1.00 31.78 N ATOM 258 CA GLY A 42 12.991 2.268 -0.359 1.00 32.64 C ATOM 259 C GLY A 42 14.015 2.556 0.721 1.00 32.83 C ATOM 260 O GLY A 42 14.160 1.740 1.648 1.00 35.06 O ATOM 261 H GLY A 42 12.135 4.003 -1.311 1.00 0.00 H ATOM 262 N ASP A 43 14.707 3.687 0.665 1.00 31.19 N ATOM 263 CA ASP A 43 15.737 3.989 1.679 1.00 30.72 C ATOM 264 C ASP A 43 15.770 5.475 1.881 1.00 27.52 C ATOM 265 O ASP A 43 15.791 6.192 0.898 1.00 26.72 O ATOM 266 CB ASP A 43 17.117 3.520 1.184 1.00 32.77 C ATOM 267 CG ASP A 43 18.108 3.277 2.323 1.00 35.15 C ATOM 268 OD1 ASP A 43 18.006 3.905 3.410 1.00 36.20 O ATOM 269 OD2 ASP A 43 19.022 2.456 2.128 1.00 37.64 O ATOM 270 H ASP A 43 14.522 4.367 -0.100 1.00 0.00 H ATOM 271 N HIS A 44 15.773 5.951 3.118 1.00 26.56 N ATOM 272 CA HIS A 44 15.996 7.370 3.350 1.00 26.23 C ATOM 273 C HIS A 44 17.459 7.793 3.094 1.00 24.61 C ATOM 274 O HIS A 44 17.717 8.962 2.830 1.00 24.05 O ATOM 275 CB HIS A 44 15.498 7.827 4.727 1.00 26.55 C ATOM 276 CG HIS A 44 16.240 7.268 5.901 1.00 28.37 C ATOM 277 ND1 HIS A 44 17.508 7.681 6.260 1.00 29.70 N ATOM 278 CD2 HIS A 44 15.837 6.412 6.867 1.00 30.68 C ATOM 279 CE1 HIS A 44 17.865 7.073 7.382 1.00 30.07 C ATOM 280 NE2 HIS A 44 16.874 6.285 7.760 1.00 31.63 N ATOM 281 H HIS A 44 15.616 5.311 3.922 1.00 0.00 H ATOM 282 N GLU A 45 18.394 6.859 3.186 1.00 24.67 N ATOM 283 CA GLU A 45 19.806 7.139 2.901 1.00 24.79 C ATOM 284 C GLU A 45 20.222 6.741 1.491 1.00 24.50 C ATOM 285 O GLU A 45 19.918 5.650 1.031 1.00 24.55 O ATOM 286 CB GLU A 45 20.680 6.446 3.915 1.00 26.20 C ATOM 287 CG GLU A 45 22.171 6.682 3.766 1.00 27.34 C ATOM 288 CD GLU A 45 22.948 5.983 4.880 1.00 29.73 C ATOM 289 OE1 GLU A 45 22.922 6.492 6.026 1.00 30.43 O ATOM 290 OE2 GLU A 45 23.552 4.916 4.605 1.00 32.43 O ATOM 291 H GLU A 45 18.119 5.897 3.469 1.00 0.00 H ATOM 292 N HIS A 46 20.852 7.707 0.808 1.00 23.06 N ATOM 293 CA HIS A 46 21.404 7.543 -0.531 1.00 23.74 C ATOM 294 C HIS A 46 22.835 8.021 -0.573 1.00 23.31 C ATOM 295 O HIS A 46 23.133 9.151 -0.215 1.00 23.29 O ATOM 296 CB HIS A 46 20.571 8.310 -1.523 1.00 24.00 C ATOM 297 CG HIS A 46 19.213 7.715 -1.698 1.00 24.70 C ATOM 298 ND1 HIS A 46 18.856 7.010 -2.832 1.00 26.22 N ATOM 299 CD2 HIS A 46 18.135 7.685 -0.879 1.00 25.42 C ATOM 300 CE1 HIS A 46 17.600 6.603 -2.704 1.00 26.56 C ATOM 301 NE2 HIS A 46 17.164 6.960 -1.516 1.00 25.71 N ATOM 302 H HIS A 46 20.954 8.636 1.264 1.00 0.00 H ATOM 303 N VAL A 47 23.736 7.115 -0.952 1.00 23.74 N ATOM 304 CA VAL A 47 25.160 7.433 -1.013 1.00 23.68 C ATOM 305 C VAL A 47 25.503 7.765 -2.440 1.00 22.05 C ATOM 306 O VAL A 47 25.311 6.940 -3.335 1.00 22.59 O ATOM 307 CB VAL A 47 26.055 6.300 -0.459 1.00 25.93 C ATOM 308 CG1 VAL A 47 27.510 6.740 -0.497 1.00 26.65 C ATOM 309 CG2 VAL A 47 25.613 5.910 0.955 1.00 26.85 C ATOM 310 H VAL A 47 23.418 6.159 -1.210 1.00 0.00 H ATOM 311 N VAL A 48 26.006 8.970 -2.671 1.00 20.75 N ATOM 312 CA VAL A 48 26.117 9.554 -4.010 1.00 21.11 C ATOM 313 C VAL A 48 27.406 10.320 -4.169 1.00 21.27 C ATOM 314 O VAL A 48 28.040 10.621 -3.174 1.00 20.30 O ATOM 315 CB VAL A 48 24.933 10.508 -4.279 1.00 21.30 C ATOM 316 CG1 VAL A 48 23.621 9.724 -4.280 1.00 22.11 C ATOM 317 CG2 VAL A 48 24.857 11.637 -3.242 1.00 20.78 C ATOM 318 H VAL A 48 26.339 9.529 -1.860 1.00 0.00 H ATOM 319 N PHE A 49 27.814 10.614 -5.407 1.00 21.90 N ATOM 320 CA PHE A 49 28.922 11.520 -5.619 1.00 22.09 C ATOM 321 C PHE A 49 28.636 12.550 -6.693 1.00 20.94 C ATOM 322 O PHE A 49 27.880 12.278 -7.618 1.00 20.68 O ATOM 323 CB PHE A 49 30.231 10.755 -5.874 1.00 25.32 C ATOM 324 CG PHE A 49 30.303 10.068 -7.162 1.00 27.47 C ATOM 325 CD1 PHE A 49 30.766 10.741 -8.304 1.00 29.70 C ATOM 326 CD2 PHE A 49 29.966 8.741 -7.283 1.00 29.54 C ATOM 327 CE1 PHE A 49 30.863 10.117 -9.534 1.00 30.63 C ATOM 328 CE2 PHE A 49 30.067 8.094 -8.512 1.00 30.81 C ATOM 329 CZ PHE A 49 30.536 8.786 -9.636 1.00 31.42 C ATOM 330 H PHE A 49 27.332 10.188 -6.224 1.00 0.00 H ATOM 331 N ASN A 50 29.197 13.749 -6.533 1.00 20.50 N ATOM 332 CA ASN A 50 29.018 14.823 -7.507 1.00 21.16 C ATOM 333 C ASN A 50 30.147 14.835 -8.584 1.00 22.46 C ATOM 334 O ASN A 50 31.086 14.035 -8.525 1.00 23.41 O ATOM 335 CB ASN A 50 28.836 16.174 -6.770 1.00 21.22 C ATOM 336 CG ASN A 50 30.113 16.675 -6.096 1.00 21.45 C ATOM 337 OD1 ASN A 50 31.220 16.174 -6.320 1.00 22.70 O ATOM 338 ND2 ASN A 50 29.967 17.711 -5.332 1.00 22.83 N ATOM 339 HD22 ASN A 50 29.019 18.105 -5.166 1.00 0.00 H ATOM 340 HD21 ASN A 50 30.798 18.148 -4.884 1.00 0.00 H ATOM 341 H ASN A 50 29.779 13.925 -5.690 1.00 0.00 H ATOM 342 N PRO A 51 30.069 15.750 -9.559 1.00 23.50 N ATOM 343 CA PRO A 51 31.114 15.777 -10.591 1.00 24.97 C ATOM 344 C PRO A 51 32.511 16.105 -10.076 1.00 25.70 C ATOM 345 O PRO A 51 33.499 15.745 -10.729 1.00 28.38 O ATOM 346 CB PRO A 51 30.628 16.847 -11.565 1.00 24.79 C ATOM 347 CG PRO A 51 29.135 16.815 -11.400 1.00 24.14 C ATOM 348 CD PRO A 51 28.921 16.606 -9.934 1.00 23.35 C ATOM 349 N ALA A 52 32.594 16.774 -8.928 1.00 24.94 N ATOM 350 CA ALA A 52 33.849 17.073 -8.276 1.00 24.71 C ATOM 351 C ALA A 52 34.386 15.890 -7.467 1.00 24.47 C ATOM 352 O ALA A 52 35.406 16.027 -6.804 1.00 23.90 O ATOM 353 CB ALA A 52 33.698 18.296 -7.415 1.00 24.87 C ATOM 354 H ALA A 52 31.713 17.097 -8.479 1.00 0.00 H ATOM 355 N GLY A 53 33.685 14.759 -7.488 1.00 23.56 N ATOM 356 CA GLY A 53 34.121 13.536 -6.847 1.00 23.95 C ATOM 357 C GLY A 53 33.799 13.453 -5.368 1.00 24.32 C ATOM 358 O GLY A 53 34.198 12.460 -4.710 1.00 25.25 O ATOM 359 H GLY A 53 32.775 14.753 -7.992 1.00 0.00 H ATOM 360 N MET A 54 33.075 14.435 -4.833 1.00 23.32 N ATOM 361 CA MET A 54 32.738 14.449 -3.410 1.00 23.86 C ATOM 362 C MET A 54 31.642 13.426 -3.186 1.00 23.05 C ATOM 363 O MET A 54 30.643 13.422 -3.911 1.00 22.03 O ATOM 364 CB MET A 54 32.242 15.827 -2.962 1.00 25.26 C ATOM 365 CG MET A 54 33.215 16.973 -3.158 1.00 27.16 C ATOM 366 SD MET A 54 32.398 18.508 -2.695 1.00 31.22 S ATOM 367 CE MET A 54 32.091 19.442 -4.190 1.00 28.72 C ATOM 368 H MET A 54 32.742 15.210 -5.442 1.00 0.00 H ATOM 369 N ILE A 55 31.840 12.581 -2.162 1.00 22.63 N ATOM 370 CA ILE A 55 30.854 11.569 -1.751 1.00 22.95 C ATOM 371 C ILE A 55 29.989 12.194 -0.659 1.00 21.37 C ATOM 372 O ILE A 55 30.499 12.877 0.236 1.00 22.30 O ATOM 373 CB ILE A 55 31.501 10.275 -1.217 1.00 24.12 C ATOM 374 CG1 ILE A 55 30.420 9.211 -0.970 1.00 24.63 C ATOM 375 CG2 ILE A 55 32.264 10.486 0.094 1.00 25.16 C ATOM 376 CD1 ILE A 55 30.939 7.885 -0.548 1.00 26.04 C ATOM 377 H ILE A 55 32.733 12.645 -1.634 1.00 0.00 H ATOM 378 N PHE A 56 28.682 11.957 -0.750 1.00 20.52 N ATOM 379 CA PHE A 56 27.742 12.439 0.253 1.00 20.57 C ATOM 380 C PHE A 56 26.863 11.288 0.654 1.00 21.09 C ATOM 381 O PHE A 56 26.423 10.490 -0.191 1.00 21.37 O ATOM 382 CB PHE A 56 26.853 13.545 -0.270 1.00 19.80 C ATOM 383 CG PHE A 56 27.580 14.737 -0.831 1.00 19.71 C ATOM 384 CD1 PHE A 56 27.974 15.778 -0.010 1.00 19.65 C ATOM 385 CD2 PHE A 56 27.834 14.846 -2.187 1.00 20.05 C ATOM 386 CE1 PHE A 56 28.605 16.906 -0.524 1.00 19.77 C ATOM 387 CE2 PHE A 56 28.504 15.969 -2.690 1.00 20.31 C ATOM 388 CZ PHE A 56 28.862 17.009 -1.866 1.00 20.40 C ATOM 389 H PHE A 56 28.322 11.413 -1.560 1.00 0.00 H ATOM 390 N ARG A 57 26.635 11.227 1.969 1.00 21.46 N ATOM 391 CA ARG A 57 25.619 10.356 2.526 1.00 22.13 C ATOM 392 C ARG A 57 24.414 11.288 2.707 1.00 20.60 C ATOM 393 O ARG A 57 24.391 12.143 3.597 1.00 20.09 O ATOM 394 CB ARG A 57 26.100 9.776 3.843 1.00 25.63 C ATOM 395 CG ARG A 57 25.093 8.922 4.564 1.00 28.40 C ATOM 396 CD ARG A 57 25.313 8.882 6.068 1.00 31.60 C ATOM 397 NE ARG A 57 26.595 8.265 6.355 1.00 35.12 N ATOM 398 CZ ARG A 57 26.787 7.008 6.759 1.00 37.84 C ATOM 399 NH1 ARG A 57 25.751 6.182 6.979 1.00 39.63 N ATOM 400 NH2 ARG A 57 28.040 6.583 6.981 1.00 38.74 N ATOM 401 HE ARG A 57 27.442 8.857 6.235 1.00 0.00 H ATOM 402 HH12 ARG A 57 25.922 5.206 7.294 1.00 0.00 H ATOM 403 HH11 ARG A 57 24.778 6.519 6.835 1.00 0.00 H ATOM 404 HH22 ARG A 57 28.210 5.607 7.296 1.00 0.00 H ATOM 405 HH21 ARG A 57 28.842 7.230 6.838 1.00 0.00 H ATOM 406 H ARG A 57 27.201 11.820 2.609 1.00 0.00 H ATOM 407 N VAL A 58 23.449 11.136 1.825 1.00 19.78 N ATOM 408 CA VAL A 58 22.301 12.047 1.737 1.00 18.96 C ATOM 409 C VAL A 58 21.129 11.357 2.410 1.00 19.34 C ATOM 410 O VAL A 58 20.856 10.172 2.163 1.00 19.19 O ATOM 411 CB VAL A 58 21.952 12.377 0.281 1.00 19.20 C ATOM 412 CG1 VAL A 58 20.637 13.138 0.202 1.00 19.35 C ATOM 413 CG2 VAL A 58 23.083 13.195 -0.338 1.00 18.89 C ATOM 414 H VAL A 58 23.502 10.336 1.162 1.00 0.00 H ATOM 415 N TRP A 59 20.489 12.099 3.319 1.00 18.12 N ATOM 416 CA TRP A 59 19.251 11.625 3.943 1.00 18.69 C ATOM 417 C TRP A 59 18.133 12.423 3.323 1.00 18.02 C ATOM 418 O TRP A 59 18.192 13.661 3.243 1.00 16.75 O ATOM 419 CB TRP A 59 19.300 11.792 5.462 1.00 20.20 C ATOM 420 CG TRP A 59 20.038 10.634 6.123 1.00 22.43 C ATOM 421 CD1 TRP A 59 20.960 9.794 5.533 1.00 24.08 C ATOM 422 CD2 TRP A 59 19.925 10.205 7.481 1.00 24.39 C ATOM 423 NE1 TRP A 59 21.416 8.880 6.457 1.00 25.08 N ATOM 424 CE2 TRP A 59 20.777 9.098 7.646 1.00 25.37 C ATOM 425 CE3 TRP A 59 19.155 10.632 8.561 1.00 25.47 C ATOM 426 CZ2 TRP A 59 20.919 8.436 8.865 1.00 26.60 C ATOM 427 CZ3 TRP A 59 19.241 9.952 9.750 1.00 27.39 C ATOM 428 CH2 TRP A 59 20.128 8.849 9.897 1.00 28.19 C ATOM 429 HE1 TRP A 59 22.130 8.144 6.279 1.00 0.00 H ATOM 430 H TRP A 59 20.875 13.026 3.587 1.00 0.00 H ATOM 431 N CYS A 60 17.083 11.714 2.897 1.00 17.90 N ATOM 432 CA CYS A 60 15.947 12.353 2.275 1.00 17.75 C ATOM 433 C CYS A 60 14.899 12.675 3.327 1.00 17.59 C ATOM 434 O CYS A 60 14.579 11.832 4.181 1.00 17.97 O ATOM 435 CB CYS A 60 15.365 11.454 1.232 1.00 18.54 C ATOM 436 SG CYS A 60 16.539 11.052 -0.105 1.00 20.52 S ATOM 437 H CYS A 60 17.084 10.681 3.016 1.00 0.00 H ATOM 438 N PHE A 61 14.382 13.901 3.262 1.00 16.71 N ATOM 439 CA PHE A 61 13.347 14.398 4.185 1.00 17.24 C ATOM 440 C PHE A 61 12.205 14.972 3.353 1.00 17.00 C ATOM 441 O PHE A 61 12.402 15.612 2.286 1.00 17.11 O ATOM 442 CB PHE A 61 13.905 15.509 5.027 1.00 17.17 C ATOM 443 CG PHE A 61 14.924 15.065 6.024 1.00 17.77 C ATOM 444 CD1 PHE A 61 16.265 15.059 5.695 1.00 17.60 C ATOM 445 CD2 PHE A 61 14.570 14.739 7.335 1.00 17.99 C ATOM 446 CE1 PHE A 61 17.223 14.695 6.630 1.00 18.11 C ATOM 447 CE2 PHE A 61 15.528 14.374 8.263 1.00 18.31 C ATOM 448 CZ PHE A 61 16.860 14.372 7.916 1.00 18.29 C ATOM 449 H PHE A 61 14.728 14.542 2.520 1.00 0.00 H ATOM 450 N SER A 62 10.967 14.734 3.820 1.00 17.68 N ATOM 451 CA SER A 62 9.825 15.284 3.121 1.00 18.15 C ATOM 452 C SER A 62 9.743 16.796 3.240 1.00 18.21 C ATOM 453 O SER A 62 9.194 17.472 2.361 1.00 19.49 O ATOM 454 CB SER A 62 8.548 14.664 3.675 1.00 18.69 C ATOM 455 OG SER A 62 8.554 13.273 3.416 1.00 19.06 O ATOM 456 HG SER A 62 7.725 12.868 3.775 1.00 0.00 H ATOM 457 H SER A 62 10.831 14.160 4.676 1.00 0.00 H ATOM 458 N LEU A 63 10.224 17.316 4.360 1.00 18.76 N ATOM 459 CA LEU A 63 10.103 18.704 4.743 1.00 19.81 C ATOM 460 C LEU A 63 11.381 19.102 5.439 1.00 18.74 C ATOM 461 O LEU A 63 12.054 18.288 6.058 1.00 18.45 O ATOM 462 CB LEU A 63 8.934 18.759 5.749 1.00 22.45 C ATOM 463 CG LEU A 63 8.356 19.893 6.468 1.00 25.49 C ATOM 464 CD1 LEU A 63 8.093 20.882 5.396 1.00 26.40 C ATOM 465 CD2 LEU A 63 7.066 19.389 7.125 1.00 26.65 C ATOM 466 H LEU A 63 10.725 16.678 5.011 1.00 0.00 H ATOM 467 N ALA A 64 11.669 20.376 5.363 1.00 18.62 N ATOM 468 CA ALA A 64 12.769 21.011 6.074 1.00 18.83 C ATOM 469 C ALA A 64 12.439 22.486 6.174 1.00 19.47 C ATOM 470 O ALA A 64 11.591 22.992 5.481 1.00 20.11 O ATOM 471 CB ALA A 64 14.093 20.819 5.369 1.00 18.48 C ATOM 472 H ALA A 64 11.073 20.974 4.755 1.00 0.00 H ATOM 473 N GLN A 65 13.146 23.170 7.060 1.00 19.79 N ATOM 474 CA GLN A 65 12.956 24.578 7.340 1.00 20.31 C ATOM 475 C GLN A 65 14.308 25.196 7.580 1.00 19.02 C ATOM 476 O GLN A 65 15.291 24.479 7.699 1.00 18.35 O ATOM 477 CB GLN A 65 12.086 24.760 8.585 1.00 22.82 C ATOM 478 CG GLN A 65 12.640 24.116 9.811 1.00 25.09 C ATOM 479 CD GLN A 65 11.755 24.230 11.011 1.00 28.39 C ATOM 480 OE1 GLN A 65 11.051 23.289 11.340 1.00 33.74 O ATOM 481 NE2 GLN A 65 11.815 25.358 11.696 1.00 31.84 N ATOM 482 HE22 GLN A 65 12.432 26.131 11.373 1.00 0.00 H ATOM 483 HE21 GLN A 65 11.246 25.473 12.559 1.00 0.00 H ATOM 484 H GLN A 65 13.885 22.664 7.589 1.00 0.00 H ATOM 485 N GLY A 66 14.377 26.510 7.659 1.00 18.99 N ATOM 486 CA GLY A 66 15.608 27.185 8.047 1.00 18.99 C ATOM 487 C GLY A 66 16.687 27.219 6.994 1.00 19.08 C ATOM 488 O GLY A 66 17.824 27.573 7.290 1.00 19.01 O ATOM 489 H GLY A 66 13.534 27.077 7.439 1.00 0.00 H ATOM 490 N LEU A 67 16.362 26.816 5.772 1.00 18.53 N ATOM 491 CA LEU A 67 17.302 26.798 4.667 1.00 19.26 C ATOM 492 C LEU A 67 17.079 28.022 3.821 1.00 20.19 C ATOM 493 O LEU A 67 16.117 28.771 4.023 1.00 21.39 O ATOM 494 CB LEU A 67 17.117 25.541 3.816 1.00 18.41 C ATOM 495 CG LEU A 67 17.359 24.222 4.549 1.00 18.08 C ATOM 496 CD1 LEU A 67 16.669 23.059 3.845 1.00 17.80 C ATOM 497 CD2 LEU A 67 18.848 23.978 4.788 1.00 17.97 C ATOM 498 H LEU A 67 15.387 26.498 5.598 1.00 0.00 H ATOM 499 N ARG A 68 18.014 28.266 2.907 1.00 20.57 N ATOM 500 CA ARG A 68 17.846 29.234 1.846 1.00 22.84 C ATOM 501 C ARG A 68 18.182 28.503 0.566 1.00 22.09 C ATOM 502 O ARG A 68 19.280 27.957 0.423 1.00 20.16 O ATOM 503 CB ARG A 68 18.806 30.393 2.047 1.00 25.03 C ATOM 504 CG ARG A 68 18.664 31.516 1.055 1.00 29.54 C ATOM 505 CD ARG A 68 19.227 32.832 1.584 1.00 32.14 C ATOM 506 NE ARG A 68 20.612 32.963 1.160 1.00 34.99 N ATOM 507 CZ ARG A 68 21.695 32.584 1.840 1.00 37.09 C ATOM 508 NH1 ARG A 68 22.898 32.779 1.289 1.00 39.21 N ATOM 509 NH2 ARG A 68 21.630 32.038 3.064 1.00 40.31 N ATOM 510 HE ARG A 68 20.775 33.398 0.229 1.00 0.00 H ATOM 511 HH12 ARG A 68 23.757 32.492 1.800 1.00 0.00 H ATOM 512 HH11 ARG A 68 22.975 33.218 0.349 1.00 0.00 H ATOM 513 HH22 ARG A 68 22.503 31.758 3.555 1.00 0.00 H ATOM 514 HH21 ARG A 68 20.707 31.895 3.521 1.00 0.00 H ATOM 515 H ARG A 68 18.907 27.736 2.958 1.00 0.00 H ATOM 516 N LEU A 69 17.216 28.460 -0.359 1.00 22.74 N ATOM 517 CA LEU A 69 17.405 27.760 -1.630 1.00 24.48 C ATOM 518 C LEU A 69 17.915 28.770 -2.617 1.00 26.32 C ATOM 519 O LEU A 69 17.329 29.872 -2.739 1.00 27.79 O ATOM 520 CB LEU A 69 16.085 27.165 -2.094 1.00 24.77 C ATOM 521 CG LEU A 69 15.390 26.266 -1.072 1.00 25.72 C ATOM 522 CD1 LEU A 69 14.204 25.584 -1.741 1.00 26.98 C ATOM 523 CD2 LEU A 69 16.336 25.230 -0.467 1.00 25.50 C ATOM 524 H LEU A 69 16.310 28.935 -0.170 1.00 0.00 H ATOM 525 N ILE A 70 19.009 28.438 -3.300 1.00 27.26 N ATOM 526 CA ILE A 70 19.731 29.399 -4.118 1.00 30.09 C ATOM 527 C ILE A 70 19.631 29.050 -5.605 1.00 31.09 C ATOM 528 O ILE A 70 19.788 27.898 -5.995 1.00 30.24 O ATOM 529 CB ILE A 70 21.202 29.432 -3.729 1.00 32.42 C ATOM 530 CG1 ILE A 70 21.379 29.899 -2.285 1.00 33.75 C ATOM 531 CG2 ILE A 70 22.011 30.276 -4.702 1.00 33.17 C ATOM 532 CD1 ILE A 70 21.072 31.347 -2.017 1.00 35.36 C ATOM 533 H ILE A 70 19.358 27.460 -3.247 1.00 0.00 H ATOM 534 N GLY A 71 19.318 30.069 -6.402 1.00 32.29 N ATOM 535 CA GLY A 71 19.244 29.897 -7.851 1.00 34.11 C ATOM 536 C GLY A 71 17.978 29.229 -8.342 1.00 34.02 C ATOM 537 O GLY A 71 17.032 29.020 -7.594 1.00 35.50 O ATOM 538 H GLY A 71 19.123 31.002 -5.987 1.00 0.00 H ATOM 539 N ALA A 72 17.974 28.914 -9.631 1.00 33.36 N ATOM 540 CA ALA A 72 16.890 28.229 -10.296 1.00 31.07 C ATOM 541 C ALA A 72 17.206 26.720 -10.344 1.00 27.98 C ATOM 542 O ALA A 72 18.369 26.350 -10.320 1.00 28.10 O ATOM 543 CB ALA A 72 16.747 28.783 -11.703 1.00 31.92 C ATOM 544 H ALA A 72 18.805 29.177 -10.199 1.00 0.00 H ATOM 545 N PRO A 73 16.171 25.867 -10.449 1.00 25.48 N ATOM 546 CA PRO A 73 16.403 24.431 -10.453 1.00 23.71 C ATOM 547 C PRO A 73 17.175 23.955 -11.666 1.00 23.12 C ATOM 548 O PRO A 73 17.070 24.552 -12.722 1.00 25.45 O ATOM 549 CB PRO A 73 14.986 23.829 -10.428 1.00 24.23 C ATOM 550 CG PRO A 73 14.119 24.936 -9.964 1.00 24.24 C ATOM 551 CD PRO A 73 14.733 26.169 -10.438 1.00 25.13 C ATOM 552 N SER A 74 17.937 22.887 -11.511 1.00 20.92 N ATOM 553 CA SER A 74 18.647 22.240 -12.598 1.00 20.27 C ATOM 554 C SER A 74 18.456 20.747 -12.558 1.00 19.74 C ATOM 555 O SER A 74 18.442 20.160 -11.470 1.00 18.83 O ATOM 556 CB SER A 74 20.144 22.534 -12.502 1.00 20.96 C ATOM 557 OG SER A 74 20.889 21.828 -13.501 1.00 22.30 O ATOM 558 HG SER A 74 21.851 22.043 -13.407 1.00 0.00 H ATOM 559 H SER A 74 18.033 22.488 -10.556 1.00 0.00 H ATOM 560 N GLY A 75 18.298 20.110 -13.710 1.00 19.47 N ATOM 561 CA GLY A 75 18.263 18.654 -13.791 1.00 19.95 C ATOM 562 C GLY A 75 19.601 17.978 -13.982 1.00 21.45 C ATOM 563 O GLY A 75 19.682 16.761 -13.902 1.00 20.25 O ATOM 564 H GLY A 75 18.196 20.666 -14.583 1.00 0.00 H ATOM 565 N GLU A 76 20.648 18.764 -14.219 1.00 22.73 N ATOM 566 CA GLU A 76 22.004 18.249 -14.498 1.00 25.34 C ATOM 567 C GLU A 76 22.507 17.384 -13.354 1.00 22.87 C ATOM 568 O GLU A 76 22.537 17.815 -12.220 1.00 21.73 O ATOM 569 CB GLU A 76 22.992 19.393 -14.660 1.00 29.03 C ATOM 570 CG GLU A 76 22.809 20.257 -15.878 1.00 33.53 C ATOM 571 CD GLU A 76 24.171 20.710 -16.415 1.00 37.45 C ATOM 572 OE1 GLU A 76 25.169 20.686 -15.644 1.00 41.59 O ATOM 573 OE2 GLU A 76 24.268 21.062 -17.612 1.00 43.54 O ATOM 574 H GLU A 76 20.504 19.794 -14.207 1.00 0.00 H ATOM 575 N PHE A 77 22.910 16.166 -13.677 1.00 23.29 N ATOM 576 CA PHE A 77 23.556 15.238 -12.743 1.00 22.96 C ATOM 577 C PHE A 77 22.653 14.865 -11.562 1.00 21.06 C ATOM 578 O PHE A 77 23.148 14.384 -10.569 1.00 20.59 O ATOM 579 CB PHE A 77 24.877 15.794 -12.189 1.00 24.35 C ATOM 580 CG PHE A 77 25.802 16.364 -13.221 1.00 26.33 C ATOM 581 CD1 PHE A 77 26.406 15.564 -14.150 1.00 28.69 C ATOM 582 CD2 PHE A 77 26.058 17.721 -13.238 1.00 27.54 C ATOM 583 CE1 PHE A 77 27.308 16.094 -15.072 1.00 29.84 C ATOM 584 CE2 PHE A 77 26.941 18.273 -14.159 1.00 29.41 C ATOM 585 CZ PHE A 77 27.562 17.464 -15.070 1.00 29.92 C ATOM 586 H PHE A 77 22.759 15.846 -14.655 1.00 0.00 H ATOM 587 N SER A 78 21.347 15.040 -11.664 1.00 19.57 N ATOM 588 CA SER A 78 20.483 14.729 -10.555 1.00 18.71 C ATOM 589 C SER A 78 20.585 13.274 -10.158 1.00 18.63 C ATOM 590 O SER A 78 20.503 12.365 -10.973 1.00 18.98 O ATOM 591 CB SER A 78 19.021 15.042 -10.854 1.00 18.70 C ATOM 592 OG SER A 78 18.236 14.757 -9.710 1.00 18.51 O ATOM 593 HG SER A 78 17.287 14.960 -9.904 1.00 0.00 H ATOM 594 H SER A 78 20.941 15.404 -12.550 1.00 0.00 H ATOM 595 N TRP A 79 20.737 13.064 -8.864 1.00 17.95 N ATOM 596 CA TRP A 79 20.808 11.745 -8.271 1.00 18.73 C ATOM 597 C TRP A 79 19.439 11.079 -8.174 1.00 19.46 C ATOM 598 O TRP A 79 19.377 9.890 -7.843 1.00 20.87 O ATOM 599 CB TRP A 79 21.426 11.843 -6.884 1.00 18.88 C ATOM 600 CG TRP A 79 22.828 12.317 -6.886 1.00 18.52 C ATOM 601 CD1 TRP A 79 23.876 11.869 -7.667 1.00 19.14 C ATOM 602 CD2 TRP A 79 23.374 13.317 -6.028 1.00 18.03 C ATOM 603 NE1 TRP A 79 25.026 12.557 -7.344 1.00 18.95 N ATOM 604 CE2 TRP A 79 24.747 13.429 -6.321 1.00 18.10 C ATOM 605 CE3 TRP A 79 22.837 14.116 -5.010 1.00 16.96 C ATOM 606 CZ2 TRP A 79 25.567 14.325 -5.655 1.00 18.23 C ATOM 607 CZ3 TRP A 79 23.651 15.006 -4.370 1.00 17.29 C ATOM 608 CH2 TRP A 79 24.998 15.098 -4.689 1.00 17.84 C ATOM 609 HE1 TRP A 79 25.953 12.435 -7.800 1.00 0.00 H ATOM 610 H TRP A 79 20.810 13.890 -8.237 1.00 0.00 H ATOM 611 N PHE A 80 18.356 11.812 -8.426 1.00 18.71 N ATOM 612 CA PHE A 80 17.014 11.286 -8.263 1.00 19.35 C ATOM 613 C PHE A 80 16.259 11.531 -9.549 1.00 19.82 C ATOM 614 O PHE A 80 16.009 12.675 -9.943 1.00 18.81 O ATOM 615 CB PHE A 80 16.321 11.936 -7.064 1.00 19.01 C ATOM 616 CG PHE A 80 17.045 11.717 -5.768 1.00 19.47 C ATOM 617 CD1 PHE A 80 16.858 10.543 -5.057 1.00 20.04 C ATOM 618 CD2 PHE A 80 17.894 12.661 -5.285 1.00 18.81 C ATOM 619 CE1 PHE A 80 17.449 10.357 -3.807 1.00 20.39 C ATOM 620 CE2 PHE A 80 18.579 12.457 -4.078 1.00 19.13 C ATOM 621 CZ PHE A 80 18.332 11.299 -3.319 1.00 19.24 C ATOM 622 H PHE A 80 18.476 12.793 -8.750 1.00 0.00 H ATOM 623 N LYS A 81 15.924 10.422 -10.210 1.00 21.90 N ATOM 624 CA LYS A 81 15.339 10.490 -11.538 1.00 22.75 C ATOM 625 C LYS A 81 14.031 11.265 -11.510 1.00 20.53 C ATOM 626 O LYS A 81 13.190 11.042 -10.642 1.00 20.73 O ATOM 627 CB LYS A 81 15.118 9.069 -12.085 1.00 25.75 C ATOM 628 CG LYS A 81 14.393 9.008 -13.427 1.00 29.20 C ATOM 629 CD LYS A 81 14.484 7.617 -14.044 1.00 32.58 C ATOM 630 CE LYS A 81 13.848 7.586 -15.419 1.00 35.11 C ATOM 631 NZ LYS A 81 14.472 8.579 -16.345 1.00 37.04 N ATOM 632 HZ1 LYS A 81 14.357 9.536 -15.954 1.00 0.00 H ATOM 633 HZ2 LYS A 81 15.484 8.365 -16.449 1.00 0.00 H ATOM 634 HZ3 LYS A 81 14.008 8.524 -17.274 1.00 0.00 H ATOM 635 H LYS A 81 16.084 9.494 -9.768 1.00 0.00 H ATOM 636 N GLY A 82 13.915 12.215 -12.431 1.00 20.07 N ATOM 637 CA GLY A 82 12.724 13.034 -12.566 1.00 19.46 C ATOM 638 C GLY A 82 12.732 14.308 -11.764 1.00 18.64 C ATOM 639 O GLY A 82 11.846 15.124 -11.925 1.00 18.77 O ATOM 640 H GLY A 82 14.710 12.379 -13.082 1.00 0.00 H ATOM 641 N TYR A 83 13.776 14.532 -10.949 1.00 17.73 N ATOM 642 CA TYR A 83 13.844 15.710 -10.089 1.00 17.40 C ATOM 643 C TYR A 83 14.947 16.664 -10.507 1.00 17.54 C ATOM 644 O TYR A 83 16.019 16.240 -10.948 1.00 18.21 O ATOM 645 CB TYR A 83 14.084 15.318 -8.644 1.00 17.08 C ATOM 646 CG TYR A 83 12.991 14.529 -8.031 1.00 16.88 C ATOM 647 CD1 TYR A 83 11.909 15.134 -7.396 1.00 16.86 C ATOM 648 CD2 TYR A 83 13.054 13.147 -8.033 1.00 17.35 C ATOM 649 CE1 TYR A 83 10.911 14.368 -6.811 1.00 17.07 C ATOM 650 CE2 TYR A 83 12.051 12.369 -7.449 1.00 17.87 C ATOM 651 CZ TYR A 83 10.960 12.993 -6.901 1.00 17.73 C ATOM 652 OH TYR A 83 9.998 12.243 -6.306 1.00 18.33 O ATOM 653 HH TYR A 83 9.284 12.836 -5.963 1.00 0.00 H ATOM 654 H TYR A 83 14.558 13.847 -10.930 1.00 0.00 H ATOM 655 N ASP A 84 14.649 17.941 -10.376 1.00 17.58 N ATOM 656 CA ASP A 84 15.575 19.021 -10.575 1.00 18.32 C ATOM 657 C ASP A 84 15.947 19.507 -9.200 1.00 18.28 C ATOM 658 O ASP A 84 15.156 19.388 -8.277 1.00 19.06 O ATOM 659 CB ASP A 84 14.866 20.117 -11.363 1.00 19.93 C ATOM 660 CG ASP A 84 14.181 19.518 -12.597 1.00 21.37 C ATOM 661 OD1 ASP A 84 14.955 18.930 -13.375 1.00 23.48 O ATOM 662 OD2 ASP A 84 12.922 19.562 -12.772 1.00 23.44 O ATOM 663 H ASP A 84 13.674 18.184 -10.109 1.00 0.00 H ATOM 664 N TRP A 85 17.148 20.042 -9.060 1.00 17.61 N ATOM 665 CA TRP A 85 17.676 20.435 -7.730 1.00 18.27 C ATOM 666 C TRP A 85 18.062 21.893 -7.648 1.00 18.18 C ATOM 667 O TRP A 85 18.418 22.541 -8.652 1.00 18.72 O ATOM 668 CB TRP A 85 18.858 19.558 -7.325 1.00 19.16 C ATOM 669 CG TRP A 85 19.941 19.525 -8.341 1.00 19.57 C ATOM 670 CD1 TRP A 85 20.104 18.589 -9.306 1.00 20.76 C ATOM 671 CD2 TRP A 85 21.000 20.475 -8.513 1.00 21.02 C ATOM 672 NE1 TRP A 85 21.194 18.900 -10.076 1.00 21.16 N ATOM 673 CE2 TRP A 85 21.744 20.072 -9.629 1.00 21.14 C ATOM 674 CE3 TRP A 85 21.376 21.650 -7.844 1.00 20.85 C ATOM 675 CZ2 TRP A 85 22.841 20.788 -10.095 1.00 22.29 C ATOM 676 CZ3 TRP A 85 22.489 22.357 -8.288 1.00 22.01 C ATOM 677 CH2 TRP A 85 23.205 21.919 -9.407 1.00 22.18 C ATOM 678 HE1 TRP A 85 21.548 18.335 -10.874 1.00 0.00 H ATOM 679 H TRP A 85 17.738 20.191 -9.904 1.00 0.00 H ATOM 680 N THR A 86 18.034 22.390 -6.410 1.00 18.16 N ATOM 681 CA THR A 86 18.545 23.703 -6.064 1.00 18.68 C ATOM 682 C THR A 86 19.394 23.493 -4.823 1.00 18.28 C ATOM 683 O THR A 86 19.073 22.667 -3.969 1.00 18.06 O ATOM 684 CB THR A 86 17.454 24.732 -5.733 1.00 19.74 C ATOM 685 OG1 THR A 86 16.551 24.249 -4.734 1.00 20.90 O ATOM 686 CG2 THR A 86 16.706 25.179 -6.995 1.00 20.45 C ATOM 687 HG1 THR A 86 15.865 24.939 -4.549 1.00 0.00 H ATOM 688 H THR A 86 17.624 21.806 -5.654 1.00 0.00 H ATOM 689 N ILE A 87 20.493 24.220 -4.753 1.00 18.32 N ATOM 690 CA ILE A 87 21.374 24.138 -3.575 1.00 18.35 C ATOM 691 C ILE A 87 20.617 24.714 -2.386 1.00 17.85 C ATOM 692 O ILE A 87 19.940 25.771 -2.488 1.00 19.26 O ATOM 693 CB ILE A 87 22.670 24.924 -3.842 1.00 19.56 C ATOM 694 CG1 ILE A 87 23.520 24.139 -4.851 1.00 20.67 C ATOM 695 CG2 ILE A 87 23.448 25.197 -2.548 1.00 19.71 C ATOM 696 CD1 ILE A 87 24.676 24.934 -5.411 1.00 22.50 C ATOM 697 H ILE A 87 20.740 24.857 -5.537 1.00 0.00 H ATOM 698 N ALA A 88 20.722 24.001 -1.252 1.00 16.53 N ATOM 699 CA ALA A 88 20.106 24.413 -0.006 1.00 16.29 C ATOM 700 C ALA A 88 21.219 24.761 0.974 1.00 15.95 C ATOM 701 O ALA A 88 21.991 23.905 1.373 1.00 16.24 O ATOM 702 CB ALA A 88 19.228 23.301 0.531 1.00 15.89 C ATOM 703 H ALA A 88 21.268 23.116 -1.269 1.00 0.00 H ATOM 704 N LEU A 89 21.274 26.041 1.359 1.00 16.59 N ATOM 705 CA LEU A 89 22.205 26.488 2.392 1.00 16.50 C ATOM 706 C LEU A 89 21.449 26.648 3.688 1.00 16.50 C ATOM 707 O LEU A 89 20.244 26.916 3.695 1.00 17.08 O ATOM 708 CB LEU A 89 22.797 27.820 1.996 1.00 17.33 C ATOM 709 CG LEU A 89 23.490 27.908 0.630 1.00 17.64 C ATOM 710 CD1 LEU A 89 24.076 29.301 0.457 1.00 19.17 C ATOM 711 CD2 LEU A 89 24.560 26.834 0.505 1.00 17.08 C ATOM 712 H LEU A 89 20.639 26.734 0.913 1.00 0.00 H ATOM 713 N CYS A 90 22.163 26.514 4.791 1.00 16.23 N ATOM 714 CA CYS A 90 21.629 26.972 6.072 1.00 16.68 C ATOM 715 C CYS A 90 21.286 28.448 5.931 1.00 16.89 C ATOM 716 O CYS A 90 22.112 29.260 5.510 1.00 17.91 O ATOM 717 CB CYS A 90 22.652 26.803 7.153 1.00 16.62 C ATOM 718 SG CYS A 90 22.068 27.390 8.774 1.00 16.52 S ATOM 719 H CYS A 90 23.108 26.081 4.748 1.00 0.00 H ATOM 720 N GLY A 91 20.046 28.786 6.262 1.00 17.42 N ATOM 721 CA GLY A 91 19.578 30.153 6.127 1.00 18.34 C ATOM 722 C GLY A 91 20.209 31.085 7.107 1.00 18.71 C ATOM 723 O GLY A 91 20.168 32.290 6.893 1.00 20.67 O ATOM 724 H GLY A 91 19.398 28.058 6.625 1.00 0.00 H ATOM 725 N GLN A 92 20.750 30.541 8.187 1.00 18.26 N ATOM 726 CA GLN A 92 21.369 31.328 9.235 1.00 18.69 C ATOM 727 C GLN A 92 22.838 31.573 8.900 1.00 18.77 C ATOM 728 O GLN A 92 23.273 32.714 8.828 1.00 19.66 O ATOM 729 CB GLN A 92 21.169 30.631 10.572 1.00 18.56 C ATOM 730 CG GLN A 92 21.699 31.418 11.763 1.00 18.91 C ATOM 731 CD GLN A 92 21.042 30.983 13.057 1.00 18.96 C ATOM 732 OE1 GLN A 92 20.077 31.605 13.468 1.00 20.00 O ATOM 733 NE2 GLN A 92 21.495 29.891 13.653 1.00 17.86 N ATOM 734 HE22 GLN A 92 22.322 29.393 13.267 1.00 0.00 H ATOM 735 HE21 GLN A 92 21.024 29.532 14.508 1.00 0.00 H ATOM 736 H GLN A 92 20.730 29.506 8.287 1.00 0.00 H ATOM 737 N CYS A 93 23.612 30.502 8.704 1.00 18.50 N ATOM 738 CA CYS A 93 25.072 30.636 8.553 1.00 18.27 C ATOM 739 C CYS A 93 25.674 30.411 7.159 1.00 18.08 C ATOM 740 O CYS A 93 26.857 30.669 6.972 1.00 18.85 O ATOM 741 CB CYS A 93 25.759 29.720 9.534 1.00 17.93 C ATOM 742 SG CYS A 93 25.884 27.974 9.032 1.00 17.63 S ATOM 743 H CYS A 93 23.177 29.558 8.657 1.00 0.00 H ATOM 744 N GLY A 94 24.854 29.937 6.216 1.00 18.32 N ATOM 745 CA GLY A 94 25.308 29.719 4.856 1.00 18.34 C ATOM 746 C GLY A 94 25.984 28.392 4.588 1.00 17.78 C ATOM 747 O GLY A 94 26.384 28.143 3.457 1.00 17.88 O ATOM 748 H GLY A 94 23.868 29.719 6.463 1.00 0.00 H ATOM 749 N SER A 95 26.108 27.521 5.587 1.00 17.77 N ATOM 750 CA SER A 95 26.667 26.174 5.407 1.00 17.82 C ATOM 751 C SER A 95 25.867 25.425 4.343 1.00 16.79 C ATOM 752 O SER A 95 24.654 25.482 4.328 1.00 16.32 O ATOM 753 CB SER A 95 26.631 25.376 6.714 1.00 18.65 C ATOM 754 OG SER A 95 27.135 24.054 6.557 1.00 19.78 O ATOM 755 HG SER A 95 28.075 24.095 6.249 1.00 0.00 H ATOM 756 H SER A 95 25.795 27.806 6.537 1.00 0.00 H ATOM 757 N HIS A 96 26.564 24.728 3.439 1.00 16.89 N ATOM 758 CA HIS A 96 25.839 23.970 2.430 1.00 16.50 C ATOM 759 C HIS A 96 25.319 22.680 3.034 1.00 16.09 C ATOM 760 O HIS A 96 26.097 21.784 3.340 1.00 16.39 O ATOM 761 CB HIS A 96 26.761 23.682 1.246 1.00 17.36 C ATOM 762 CG HIS A 96 26.102 22.866 0.204 1.00 17.86 C ATOM 763 ND1 HIS A 96 26.817 22.071 -0.662 1.00 18.99 N ATOM 764 CD2 HIS A 96 24.793 22.707 -0.105 1.00 18.12 C ATOM 765 CE1 HIS A 96 25.972 21.460 -1.465 1.00 18.87 C ATOM 766 NE2 HIS A 96 24.740 21.815 -1.146 1.00 18.20 N ATOM 767 H HIS A 96 27.604 24.728 3.457 1.00 0.00 H ATOM 768 N LEU A 97 24.002 22.597 3.245 1.00 15.16 N ATOM 769 CA LEU A 97 23.412 21.449 3.927 1.00 15.35 C ATOM 770 C LEU A 97 22.854 20.376 3.008 1.00 15.02 C ATOM 771 O LEU A 97 22.643 19.251 3.432 1.00 15.43 O ATOM 772 CB LEU A 97 22.330 21.904 4.905 1.00 15.93 C ATOM 773 CG LEU A 97 22.845 22.789 6.053 1.00 16.64 C ATOM 774 CD1 LEU A 97 21.719 23.024 7.043 1.00 16.83 C ATOM 775 CD2 LEU A 97 24.062 22.223 6.777 1.00 16.75 C ATOM 776 H LEU A 97 23.384 23.367 2.916 1.00 0.00 H ATOM 777 N GLY A 98 22.595 20.725 1.756 1.00 14.94 N ATOM 778 CA GLY A 98 22.125 19.766 0.790 1.00 14.83 C ATOM 779 C GLY A 98 21.438 20.411 -0.381 1.00 14.77 C ATOM 780 O GLY A 98 21.918 21.419 -0.910 1.00 15.07 O ATOM 781 H GLY A 98 22.734 21.714 1.465 1.00 0.00 H ATOM 782 N TRP A 99 20.321 19.822 -0.797 1.00 14.73 N ATOM 783 CA TRP A 99 19.612 20.257 -2.000 1.00 14.72 C ATOM 784 C TRP A 99 18.125 20.096 -1.792 1.00 15.24 C ATOM 785 O TRP A 99 17.683 19.208 -1.047 1.00 14.56 O ATOM 786 CB TRP A 99 20.046 19.431 -3.220 1.00 15.42 C ATOM 787 CG TRP A 99 21.533 19.460 -3.479 1.00 15.67 C ATOM 788 CD1 TRP A 99 22.198 20.319 -4.290 1.00 16.21 C ATOM 789 CD2 TRP A 99 22.540 18.658 -2.841 1.00 16.09 C ATOM 790 NE1 TRP A 99 23.548 20.098 -4.210 1.00 16.94 N ATOM 791 CE2 TRP A 99 23.787 19.069 -3.345 1.00 16.57 C ATOM 792 CE3 TRP A 99 22.503 17.617 -1.904 1.00 16.25 C ATOM 793 CZ2 TRP A 99 24.987 18.487 -2.936 1.00 17.40 C ATOM 794 CZ3 TRP A 99 23.714 17.060 -1.478 1.00 17.02 C ATOM 795 CH2 TRP A 99 24.924 17.508 -1.992 1.00 17.00 C ATOM 796 HE1 TRP A 99 24.276 20.631 -4.727 1.00 0.00 H ATOM 797 H TRP A 99 19.939 19.025 -0.249 1.00 0.00 H ATOM 798 N HIS A 100 17.371 20.973 -2.461 1.00 15.42 N ATOM 799 CA HIS A 100 15.933 20.791 -2.564 1.00 16.00 C ATOM 800 C HIS A 100 15.635 20.255 -3.957 1.00 16.11 C ATOM 801 O HIS A 100 16.194 20.759 -4.934 1.00 17.52 O ATOM 802 CB HIS A 100 15.210 22.102 -2.337 1.00 17.11 C ATOM 803 CG HIS A 100 13.724 21.990 -2.372 1.00 18.12 C ATOM 804 ND1 HIS A 100 12.984 21.240 -1.487 1.00 20.11 N ATOM 805 CD2 HIS A 100 12.833 22.562 -3.213 1.00 19.82 C ATOM 806 CE1 HIS A 100 11.695 21.370 -1.782 1.00 19.31 C ATOM 807 NE2 HIS A 100 11.583 22.174 -2.812 1.00 20.71 N ATOM 808 H HIS A 100 17.819 21.796 -2.913 1.00 0.00 H ATOM 809 N TYR A 101 14.777 19.247 -3.993 1.00 15.49 N ATOM 810 CA TYR A 101 14.407 18.577 -5.250 1.00 15.23 C ATOM 811 C TYR A 101 12.965 18.932 -5.551 1.00 15.99 C ATOM 812 O TYR A 101 12.128 18.966 -4.656 1.00 16.56 O ATOM 813 CB TYR A 101 14.595 17.072 -5.096 1.00 14.58 C ATOM 814 CG TYR A 101 16.053 16.699 -5.060 1.00 14.84 C ATOM 815 CD1 TYR A 101 16.775 16.528 -6.244 1.00 15.18 C ATOM 816 CD2 TYR A 101 16.734 16.604 -3.846 1.00 15.01 C ATOM 817 CE1 TYR A 101 18.139 16.208 -6.199 1.00 15.33 C ATOM 818 CE2 TYR A 101 18.075 16.283 -3.798 1.00 14.60 C ATOM 819 CZ TYR A 101 18.771 16.103 -4.993 1.00 15.30 C ATOM 820 OH TYR A 101 20.122 15.780 -4.993 1.00 16.67 O ATOM 821 HH TYR A 101 20.439 15.693 -5.927 1.00 0.00 H ATOM 822 H TYR A 101 14.350 18.918 -3.103 1.00 0.00 H ATOM 823 N GLU A 102 12.692 19.188 -6.824 1.00 17.10 N ATOM 824 CA GLU A 102 11.347 19.528 -7.284 1.00 18.34 C ATOM 825 C GLU A 102 11.147 19.037 -8.695 1.00 17.95 C ATOM 826 O GLU A 102 12.077 18.537 -9.316 1.00 17.80 O ATOM 827 CB GLU A 102 11.132 21.026 -7.236 1.00 21.17 C ATOM 828 CG GLU A 102 12.036 21.840 -8.144 1.00 24.57 C ATOM 829 CD GLU A 102 11.916 23.333 -7.781 1.00 29.23 C ATOM 830 OE1 GLU A 102 10.895 23.942 -8.140 1.00 33.70 O ATOM 831 OE2 GLU A 102 12.822 23.931 -7.134 1.00 32.93 O ATOM 832 H GLU A 102 13.463 19.145 -7.520 1.00 0.00 H ATOM 833 N GLY A 103 9.918 19.150 -9.162 1.00 17.66 N ATOM 834 CA GLY A 103 9.615 18.815 -10.541 1.00 17.58 C ATOM 835 C GLY A 103 9.348 17.356 -10.828 1.00 17.49 C ATOM 836 O GLY A 103 9.177 17.005 -11.978 1.00 18.04 O ATOM 837 H GLY A 103 9.158 19.483 -8.535 1.00 0.00 H ATOM 838 N GLY A 104 9.321 16.516 -9.804 1.00 17.09 N ATOM 839 CA GLY A 104 9.184 15.065 -9.986 1.00 17.26 C ATOM 840 C GLY A 104 7.800 14.581 -9.645 1.00 17.72 C ATOM 841 O GLY A 104 6.841 15.367 -9.688 1.00 17.89 O ATOM 842 H GLY A 104 9.399 16.897 -8.839 1.00 0.00 H ATOM 843 N SER A 105 7.713 13.299 -9.246 1.00 18.91 N ATOM 844 CA SER A 105 6.406 12.694 -8.935 1.00 20.19 C ATOM 845 C SER A 105 6.469 11.811 -7.708 1.00 21.24 C ATOM 846 O SER A 105 7.445 11.054 -7.545 1.00 21.00 O ATOM 847 CB SER A 105 5.920 11.870 -10.117 1.00 21.57 C ATOM 848 OG SER A 105 5.998 12.584 -11.322 1.00 21.50 O ATOM 849 HG SER A 105 5.674 12.014 -12.064 1.00 0.00 H ATOM 850 H SER A 105 8.578 12.729 -9.156 1.00 0.00 H ATOM 851 N GLN A 106 5.470 11.951 -6.844 1.00 21.29 N ATOM 852 CA GLN A 106 5.274 11.055 -5.688 1.00 22.76 C ATOM 853 C GLN A 106 6.551 10.853 -4.841 1.00 21.98 C ATOM 854 O GLN A 106 7.080 9.746 -4.770 1.00 22.74 O ATOM 855 CB GLN A 106 4.679 9.731 -6.161 1.00 24.58 C ATOM 856 CG GLN A 106 4.087 8.961 -5.000 1.00 27.25 C ATOM 857 CD GLN A 106 3.144 7.857 -5.354 1.00 29.75 C ATOM 858 OE1 GLN A 106 2.824 7.567 -6.506 1.00 32.93 O ATOM 859 NE2 GLN A 106 2.661 7.208 -4.310 1.00 32.20 N ATOM 860 HE22 GLN A 106 2.952 7.479 -3.349 1.00 0.00 H ATOM 861 HE21 GLN A 106 1.989 6.426 -4.449 1.00 0.00 H ATOM 862 H GLN A 106 4.794 12.728 -6.989 1.00 0.00 H ATOM 863 N PRO A 107 7.061 11.905 -4.197 1.00 20.40 N ATOM 864 CA PRO A 107 6.484 13.234 -4.146 1.00 20.04 C ATOM 865 C PRO A 107 6.977 14.164 -5.243 1.00 19.02 C ATOM 866 O PRO A 107 7.972 13.884 -5.896 1.00 18.16 O ATOM 867 CB PRO A 107 6.973 13.743 -2.797 1.00 20.67 C ATOM 868 CG PRO A 107 8.307 13.132 -2.666 1.00 20.47 C ATOM 869 CD PRO A 107 8.220 11.795 -3.298 1.00 20.80 C ATOM 870 N GLN A 108 6.286 15.276 -5.413 1.00 18.47 N ATOM 871 CA GLN A 108 6.754 16.307 -6.318 1.00 18.80 C ATOM 872 C GLN A 108 8.072 16.921 -5.862 1.00 18.29 C ATOM 873 O GLN A 108 8.881 17.287 -6.684 1.00 17.43 O ATOM 874 CB GLN A 108 5.711 17.393 -6.512 1.00 19.65 C ATOM 875 CG GLN A 108 4.518 16.954 -7.336 1.00 20.90 C ATOM 876 CD GLN A 108 3.483 18.048 -7.490 1.00 22.26 C ATOM 877 OE1 GLN A 108 3.164 18.750 -6.535 1.00 25.28 O ATOM 878 NE2 GLN A 108 2.941 18.198 -8.697 1.00 23.92 N ATOM 879 HE22 GLN A 108 3.239 17.583 -9.481 1.00 0.00 H ATOM 880 HE21 GLN A 108 2.220 18.931 -8.856 1.00 0.00 H ATOM 881 H GLN A 108 5.396 15.414 -4.892 1.00 0.00 H ATOM 882 N THR A 109 8.243 17.052 -4.553 1.00 18.42 N ATOM 883 CA THR A 109 9.374 17.742 -3.951 1.00 18.69 C ATOM 884 C THR A 109 9.845 17.021 -2.693 1.00 17.81 C ATOM 885 O THR A 109 9.066 16.334 -2.036 1.00 18.47 O ATOM 886 CB THR A 109 9.032 19.207 -3.545 1.00 20.22 C ATOM 887 OG1 THR A 109 8.130 19.188 -2.418 1.00 21.48 O ATOM 888 CG2 THR A 109 8.379 19.971 -4.673 1.00 20.93 C ATOM 889 HG1 THR A 109 8.563 18.724 -1.658 1.00 0.00 H ATOM 890 H THR A 109 7.528 16.638 -3.921 1.00 0.00 H ATOM 891 N PHE A 110 11.130 17.176 -2.387 1.00 16.33 N ATOM 892 CA PHE A 110 11.696 16.693 -1.118 1.00 16.21 C ATOM 893 C PHE A 110 13.075 17.352 -0.935 1.00 15.36 C ATOM 894 O PHE A 110 13.568 18.079 -1.821 1.00 15.40 O ATOM 895 CB PHE A 110 11.802 15.158 -1.100 1.00 16.62 C ATOM 896 CG PHE A 110 12.806 14.590 -2.039 1.00 16.64 C ATOM 897 CD1 PHE A 110 12.506 14.384 -3.378 1.00 16.66 C ATOM 898 CD2 PHE A 110 14.082 14.272 -1.616 1.00 16.74 C ATOM 899 CE1 PHE A 110 13.445 13.856 -4.262 1.00 17.27 C ATOM 900 CE2 PHE A 110 15.021 13.751 -2.504 1.00 17.06 C ATOM 901 CZ PHE A 110 14.697 13.562 -3.825 1.00 17.49 C ATOM 902 H PHE A 110 11.755 17.654 -3.067 1.00 0.00 H ATOM 903 N PHE A 111 13.674 17.122 0.231 1.00 15.51 N ATOM 904 CA PHE A 111 15.025 17.614 0.495 1.00 15.51 C ATOM 905 C PHE A 111 15.981 16.448 0.630 1.00 15.42 C ATOM 906 O PHE A 111 15.675 15.451 1.270 1.00 16.02 O ATOM 907 CB PHE A 111 15.062 18.391 1.802 1.00 16.15 C ATOM 908 CG PHE A 111 14.307 19.677 1.768 1.00 17.32 C ATOM 909 CD1 PHE A 111 12.936 19.669 2.040 1.00 17.90 C ATOM 910 CD2 PHE A 111 14.919 20.874 1.463 1.00 18.43 C ATOM 911 CE1 PHE A 111 12.205 20.842 2.038 1.00 18.84 C ATOM 912 CE2 PHE A 111 14.187 22.056 1.465 1.00 19.31 C ATOM 913 CZ PHE A 111 12.833 22.036 1.766 1.00 19.05 C ATOM 914 H PHE A 111 13.173 16.584 0.966 1.00 0.00 H ATOM 915 N GLY A 112 17.181 16.589 0.042 1.00 14.74 N ATOM 916 CA GLY A 112 18.271 15.655 0.306 1.00 14.97 C ATOM 917 C GLY A 112 19.330 16.390 1.082 1.00 15.25 C ATOM 918 O GLY A 112 19.936 17.313 0.543 1.00 15.21 O ATOM 919 H GLY A 112 17.336 17.380 -0.615 1.00 0.00 H ATOM 920 N LEU A 113 19.512 16.017 2.358 1.00 15.09 N ATOM 921 CA LEU A 113 20.409 16.750 3.229 1.00 15.49 C ATOM 922 C LEU A 113 21.602 15.877 3.574 1.00 15.89 C ATOM 923 O LEU A 113 21.483 14.659 3.699 1.00 16.13 O ATOM 924 CB LEU A 113 19.705 17.180 4.500 1.00 15.98 C ATOM 925 CG LEU A 113 18.486 18.078 4.278 1.00 15.80 C ATOM 926 CD1 LEU A 113 17.885 18.486 5.614 1.00 15.91 C ATOM 927 CD2 LEU A 113 18.830 19.317 3.447 1.00 15.55 C ATOM 928 H LEU A 113 19.002 15.190 2.728 1.00 0.00 H ATOM 929 N ILE A 114 22.745 16.513 3.756 1.00 16.02 N ATOM 930 CA ILE A 114 24.004 15.817 4.003 1.00 16.31 C ATOM 931 C ILE A 114 24.076 15.478 5.484 1.00 16.65 C ATOM 932 O ILE A 114 24.162 16.374 6.334 1.00 16.74 O ATOM 933 CB ILE A 114 25.196 16.675 3.562 1.00 16.62 C ATOM 934 CG1 ILE A 114 25.091 17.032 2.063 1.00 16.49 C ATOM 935 CG2 ILE A 114 26.517 15.967 3.845 1.00 16.69 C ATOM 936 CD1 ILE A 114 25.882 18.244 1.677 1.00 17.39 C ATOM 937 H ILE A 114 22.748 17.552 3.722 1.00 0.00 H ATOM 938 N LYS A 115 24.028 14.199 5.796 1.00 17.28 N ATOM 939 CA LYS A 115 23.821 13.745 7.181 1.00 17.87 C ATOM 940 C LYS A 115 24.870 14.309 8.139 1.00 17.98 C ATOM 941 O LYS A 115 24.543 14.792 9.225 1.00 18.83 O ATOM 942 CB LYS A 115 23.807 12.223 7.253 1.00 18.60 C ATOM 943 CG LYS A 115 23.482 11.682 8.633 1.00 19.56 C ATOM 944 CD LYS A 115 24.584 10.977 9.396 1.00 19.98 C ATOM 945 CE LYS A 115 24.012 9.862 10.308 1.00 20.26 C ATOM 946 NZ LYS A 115 24.979 9.621 11.443 1.00 19.29 N ATOM 947 HZ1 LYS A 115 25.898 9.325 11.057 1.00 0.00 H ATOM 948 HZ2 LYS A 115 25.097 10.499 11.989 1.00 0.00 H ATOM 949 HZ3 LYS A 115 24.605 8.874 12.062 1.00 0.00 H ATOM 950 H LYS A 115 24.139 13.490 5.043 1.00 0.00 H ATOM 951 N ASP A 116 26.134 14.261 7.731 1.00 17.75 N ATOM 952 CA ASP A 116 27.221 14.724 8.594 1.00 18.49 C ATOM 953 C ASP A 116 27.317 16.235 8.762 1.00 18.18 C ATOM 954 O ASP A 116 28.142 16.699 9.554 1.00 19.35 O ATOM 955 CB ASP A 116 28.606 14.127 8.173 1.00 19.52 C ATOM 956 CG ASP A 116 28.920 14.345 6.721 1.00 21.11 C ATOM 957 OD1 ASP A 116 28.110 13.864 5.940 1.00 23.32 O ATOM 958 OD2 ASP A 116 29.959 14.879 6.344 1.00 23.77 O ATOM 959 H ASP A 116 26.354 13.889 6.785 1.00 0.00 H ATOM 960 N ARG A 117 26.466 17.012 8.078 1.00 17.06 N ATOM 961 CA ARG A 117 26.408 18.443 8.251 1.00 17.64 C ATOM 962 C ARG A 117 25.266 18.875 9.160 1.00 16.88 C ATOM 963 O ARG A 117 25.042 20.090 9.361 1.00 16.80 O ATOM 964 CB ARG A 117 26.337 19.121 6.883 1.00 18.54 C ATOM 965 CG ARG A 117 27.601 18.819 6.078 1.00 19.49 C ATOM 966 CD ARG A 117 27.704 19.563 4.781 1.00 20.16 C ATOM 967 NE ARG A 117 28.813 19.067 3.980 1.00 20.58 N ATOM 968 CZ ARG A 117 29.203 19.603 2.822 1.00 21.57 C ATOM 969 NH1 ARG A 117 28.588 20.682 2.295 1.00 21.04 N ATOM 970 NH2 ARG A 117 30.264 19.099 2.181 1.00 22.86 N ATOM 971 HE ARG A 117 29.336 18.240 4.333 1.00 0.00 H ATOM 972 HH12 ARG A 117 28.915 21.077 1.390 1.00 0.00 H ATOM 973 HH11 ARG A 117 27.787 21.119 2.793 1.00 0.00 H ATOM 974 HH22 ARG A 117 30.571 19.514 1.278 1.00 0.00 H ATOM 975 HH21 ARG A 117 30.781 18.293 2.586 1.00 0.00 H ATOM 976 H ARG A 117 25.821 16.565 7.395 1.00 0.00 H ATOM 977 N LEU A 118 24.558 17.896 9.718 1.00 16.53 N ATOM 978 CA LEU A 118 23.452 18.130 10.660 1.00 16.69 C ATOM 979 C LEU A 118 23.838 17.573 12.029 1.00 17.00 C ATOM 980 O LEU A 118 24.610 16.622 12.123 1.00 18.48 O ATOM 981 CB LEU A 118 22.177 17.446 10.185 1.00 17.29 C ATOM 982 CG LEU A 118 21.692 17.817 8.769 1.00 17.94 C ATOM 983 CD1 LEU A 118 20.551 16.940 8.338 1.00 18.58 C ATOM 984 CD2 LEU A 118 21.273 19.289 8.785 1.00 18.28 C ATOM 985 H LEU A 118 24.799 16.914 9.476 1.00 0.00 H ATOM 986 N ALA A 119 23.266 18.143 13.078 1.00 17.10 N ATOM 987 CA ALA A 119 23.378 17.588 14.428 1.00 16.99 C ATOM 988 C ALA A 119 21.999 17.186 14.908 1.00 17.60 C ATOM 989 O ALA A 119 21.070 17.971 14.775 1.00 18.40 O ATOM 990 CB ALA A 119 23.946 18.628 15.368 1.00 17.00 C ATOM 991 H ALA A 119 22.718 19.016 12.938 1.00 0.00 H ATOM 992 N GLU A 120 21.863 15.965 15.423 1.00 18.05 N ATOM 993 CA GLU A 120 20.582 15.432 15.854 1.00 19.87 C ATOM 994 C GLU A 120 20.433 15.532 17.376 1.00 19.65 C ATOM 995 O GLU A 120 21.373 15.298 18.101 1.00 18.66 O ATOM 996 CB GLU A 120 20.467 13.974 15.422 1.00 22.04 C ATOM 997 CG GLU A 120 19.051 13.444 15.567 1.00 24.79 C ATOM 998 CD GLU A 120 18.870 12.073 14.930 1.00 27.06 C ATOM 999 OE1 GLU A 120 19.861 11.461 14.451 1.00 30.41 O ATOM 1000 OE2 GLU A 120 17.720 11.618 14.891 1.00 29.76 O ATOM 1001 H GLU A 120 22.709 15.368 15.521 1.00 0.00 H ATOM 1002 N GLY A 121 19.248 15.873 17.853 1.00 20.10 N ATOM 1003 CA GLY A 121 19.094 16.156 19.290 1.00 20.59 C ATOM 1004 C GLY A 121 17.632 16.276 19.683 1.00 21.82 C ATOM 1005 O GLY A 121 16.739 16.031 18.889 1.00 21.22 O ATOM 1006 H GLY A 121 18.428 15.941 17.216 1.00 0.00 H ATOM 1007 N PRO A 122 17.409 16.633 20.945 1.00 23.87 N ATOM 1008 CA PRO A 122 16.051 16.684 21.480 1.00 25.94 C ATOM 1009 C PRO A 122 15.210 17.803 20.913 1.00 28.24 C ATOM 1010 O PRO A 122 15.731 18.808 20.452 1.00 30.19 O ATOM 1011 CB PRO A 122 16.282 16.879 22.985 1.00 26.12 C ATOM 1012 CG PRO A 122 17.623 17.479 23.105 1.00 25.23 C ATOM 1013 CD PRO A 122 18.420 16.978 21.958 1.00 24.23 C ATOM 1014 N ALA A 123 13.894 17.636 20.997 1.00 32.50 N ATOM 1015 CA ALA A 123 12.917 18.595 20.466 1.00 35.88 C ATOM 1016 C ALA A 123 12.945 19.991 21.098 1.00 40.46 C ATOM 1017 O ALA A 123 13.407 20.159 22.209 1.00 41.50 O ATOM 1018 CB ALA A 123 11.517 18.010 20.580 1.00 37.61 C ATOM 1019 H ALA A 123 13.537 16.779 21.465 1.00 0.00 H ATOM 1020 N ASP A 124 12.433 20.986 20.367 1.00 46.95 N ATOM 1021 CA ASP A 124 12.283 22.360 20.904 1.00 51.03 C ATOM 1022 C ASP A 124 10.845 22.571 21.378 1.00 53.48 C ATOM 1023 O ASP A 124 9.918 21.945 20.869 1.00 54.74 O ATOM 1024 CB ASP A 124 12.723 23.455 19.897 1.00 52.06 C ATOM 1025 CG ASP A 124 12.056 23.337 18.521 1.00 52.77 C ATOM 1026 OD1 ASP A 124 10.985 22.705 18.398 1.00 55.37 O ATOM 1027 OD2 ASP A 124 12.618 23.891 17.545 1.00 52.40 O ATOM 1028 OXT ASP A 124 10.561 23.346 22.291 1.00 56.58 O ATOM 1029 H ASP A 124 12.130 20.790 19.391 1.00 0.00 H TER 1030 ASP A 124 ATOM 1031 N ALA B 19 44.985 -3.256 15.769 1.00 43.68 N ATOM 1032 CA ALA B 19 45.852 -2.586 14.761 1.00 42.68 C ATOM 1033 C ALA B 19 45.976 -1.122 15.168 1.00 41.02 C ATOM 1034 O ALA B 19 47.073 -0.693 15.566 1.00 42.06 O ATOM 1035 CB ALA B 19 45.270 -2.737 13.360 1.00 44.50 C ATOM 1036 HN3 ALA B 19 44.051 -2.800 15.779 1.00 0.00 H ATOM 1037 HN2 ALA B 19 45.422 -3.174 16.709 1.00 0.00 H ATOM 1038 HN1 ALA B 19 44.879 -4.260 15.521 1.00 0.00 H ATOM 1039 N SER B 20 44.848 -0.407 15.164 1.00 35.82 N ATOM 1040 CA SER B 20 44.830 0.916 15.750 1.00 32.29 C ATOM 1041 C SER B 20 43.992 1.079 17.022 1.00 28.40 C ATOM 1042 O SER B 20 42.918 0.462 17.191 1.00 29.98 O ATOM 1043 CB SER B 20 44.489 2.033 14.784 1.00 32.93 C ATOM 1044 OG SER B 20 43.161 2.058 14.458 1.00 35.43 O ATOM 1045 HG SER B 20 42.991 2.802 13.828 1.00 0.00 H ATOM 1046 H SER B 20 43.984 -0.801 14.740 1.00 0.00 H ATOM 1047 N ILE B 21 44.527 1.943 17.896 1.00 24.97 N ATOM 1048 CA ILE B 21 43.929 2.205 19.197 1.00 23.59 C ATOM 1049 C ILE B 21 43.561 3.674 19.297 1.00 21.73 C ATOM 1050 O ILE B 21 44.180 4.523 18.649 1.00 21.96 O ATOM 1051 CB ILE B 21 44.865 1.778 20.346 1.00 24.32 C ATOM 1052 CG1 ILE B 21 46.076 2.672 20.439 1.00 24.64 C ATOM 1053 CG2 ILE B 21 45.199 0.295 20.148 1.00 24.88 C ATOM 1054 CD1 ILE B 21 46.812 2.522 21.749 1.00 25.75 C ATOM 1055 H ILE B 21 45.400 2.444 17.635 1.00 0.00 H ATOM 1056 N PHE B 22 42.559 3.975 20.117 1.00 18.66 N ATOM 1057 CA PHE B 22 42.203 5.334 20.474 1.00 17.85 C ATOM 1058 C PHE B 22 42.628 5.603 21.906 1.00 18.21 C ATOM 1059 O PHE B 22 42.239 4.883 22.817 1.00 17.47 O ATOM 1060 CB PHE B 22 40.703 5.539 20.331 1.00 17.09 C ATOM 1061 CG PHE B 22 40.250 5.525 18.912 1.00 17.40 C ATOM 1062 CD1 PHE B 22 39.955 4.339 18.298 1.00 17.84 C ATOM 1063 CD2 PHE B 22 40.150 6.703 18.192 1.00 18.17 C ATOM 1064 CE1 PHE B 22 39.525 4.294 16.977 1.00 18.81 C ATOM 1065 CE2 PHE B 22 39.728 6.695 16.858 1.00 18.32 C ATOM 1066 CZ PHE B 22 39.449 5.481 16.247 1.00 18.28 C ATOM 1067 H PHE B 22 42.002 3.196 20.523 1.00 0.00 H ATOM 1068 N ARG B 23 43.447 6.627 22.079 1.00 18.60 N ATOM 1069 CA ARG B 23 43.933 7.042 23.362 1.00 19.68 C ATOM 1070 C ARG B 23 43.309 8.352 23.739 1.00 18.82 C ATOM 1071 O ARG B 23 42.881 9.132 22.891 1.00 18.68 O ATOM 1072 CB ARG B 23 45.448 7.191 23.311 1.00 21.38 C ATOM 1073 CG ARG B 23 46.181 5.914 23.019 1.00 23.04 C ATOM 1074 CD ARG B 23 47.717 6.190 23.042 1.00 25.57 C ATOM 1075 NE ARG B 23 48.456 4.964 22.844 1.00 27.70 N ATOM 1076 CZ ARG B 23 48.694 4.058 23.784 1.00 30.74 C ATOM 1077 NH1 ARG B 23 48.245 4.177 25.047 1.00 31.09 N ATOM 1078 NH2 ARG B 23 49.371 2.952 23.480 1.00 33.37 N ATOM 1079 HE ARG B 23 48.830 4.777 21.892 1.00 0.00 H ATOM 1080 HH12 ARG B 23 48.459 3.438 25.747 1.00 0.00 H ATOM 1081 HH11 ARG B 23 47.684 5.008 25.323 1.00 0.00 H ATOM 1082 HH22 ARG B 23 49.560 2.240 24.214 1.00 0.00 H ATOM 1083 HH21 ARG B 23 49.711 2.801 22.509 1.00 0.00 H ATOM 1084 H ARG B 23 43.755 7.159 21.240 1.00 0.00 H ATOM 1085 N CYS B 24 43.260 8.610 25.045 1.00 19.20 N ATOM 1086 CA CYS B 24 42.838 9.908 25.540 1.00 19.56 C ATOM 1087 C CYS B 24 43.805 10.948 24.998 1.00 21.58 C ATOM 1088 O CYS B 24 45.050 10.794 25.121 1.00 21.04 O ATOM 1089 CB CYS B 24 42.876 9.896 27.065 1.00 20.97 C ATOM 1090 SG CYS B 24 42.600 11.495 27.781 1.00 21.32 S ATOM 1091 H CYS B 24 43.529 7.868 25.722 1.00 0.00 H ATOM 1092 N ARG B 25 43.254 11.984 24.381 1.00 22.26 N ATOM 1093 CA ARG B 25 44.099 13.016 23.753 1.00 24.90 C ATOM 1094 C ARG B 25 44.910 13.807 24.790 1.00 25.92 C ATOM 1095 O ARG B 25 46.004 14.291 24.486 1.00 25.87 O ATOM 1096 CB ARG B 25 43.223 13.941 22.956 1.00 26.50 C ATOM 1097 CG ARG B 25 43.969 15.094 22.332 1.00 29.47 C ATOM 1098 CD ARG B 25 43.053 15.759 21.297 1.00 30.48 C ATOM 1099 NE ARG B 25 42.766 14.889 20.171 1.00 33.32 N ATOM 1100 CZ ARG B 25 43.474 14.825 19.049 1.00 35.09 C ATOM 1101 NH1 ARG B 25 44.548 15.591 18.872 1.00 37.53 N ATOM 1102 NH2 ARG B 25 43.132 13.976 18.099 1.00 34.94 N ATOM 1103 HE ARG B 25 41.938 14.265 20.249 1.00 0.00 H ATOM 1104 HH12 ARG B 25 45.091 15.528 17.987 1.00 0.00 H ATOM 1105 HH11 ARG B 25 44.844 16.252 19.618 1.00 0.00 H ATOM 1106 HH22 ARG B 25 43.687 13.927 17.221 1.00 0.00 H ATOM 1107 HH21 ARG B 25 42.307 13.356 18.228 1.00 0.00 H ATOM 1108 H ARG B 25 42.218 12.069 24.340 1.00 0.00 H ATOM 1109 N GLN B 26 44.369 13.928 25.995 1.00 26.04 N ATOM 1110 CA GLN B 26 45.024 14.692 27.069 1.00 27.63 C ATOM 1111 C GLN B 26 46.130 13.976 27.793 1.00 27.66 C ATOM 1112 O GLN B 26 47.144 14.614 28.132 1.00 29.48 O ATOM 1113 CB GLN B 26 43.954 15.191 28.043 1.00 29.75 C ATOM 1114 CG GLN B 26 44.400 15.999 29.262 1.00 32.80 C ATOM 1115 CD GLN B 26 43.218 16.521 30.078 1.00 34.94 C ATOM 1116 OE1 GLN B 26 42.220 16.982 29.526 1.00 39.90 O ATOM 1117 NE2 GLN B 26 43.321 16.439 31.392 1.00 37.84 N ATOM 1118 HE22 GLN B 26 44.181 16.043 31.822 1.00 0.00 H ATOM 1119 HE21 GLN B 26 42.542 16.770 31.996 1.00 0.00 H ATOM 1120 H GLN B 26 43.455 13.470 26.186 1.00 0.00 H ATOM 1121 N CYS B 27 46.017 12.673 28.019 1.00 25.15 N ATOM 1122 CA CYS B 27 47.064 11.956 28.788 1.00 24.95 C ATOM 1123 C CYS B 27 47.599 10.668 28.183 1.00 24.96 C ATOM 1124 O CYS B 27 48.571 10.091 28.690 1.00 25.18 O ATOM 1125 CB CYS B 27 46.563 11.641 30.177 1.00 24.36 C ATOM 1126 SG CYS B 27 45.376 10.191 30.233 1.00 23.04 S ATOM 1127 H CYS B 27 45.193 12.153 27.656 1.00 0.00 H ATOM 1128 N GLY B 28 46.989 10.209 27.098 1.00 23.18 N ATOM 1129 CA GLY B 28 47.491 9.041 26.400 1.00 23.76 C ATOM 1130 C GLY B 28 47.003 7.698 26.857 1.00 22.82 C ATOM 1131 O GLY B 28 47.359 6.690 26.264 1.00 23.07 O ATOM 1132 H GLY B 28 46.140 10.693 26.743 1.00 0.00 H ATOM 1133 N GLN B 29 46.130 7.663 27.857 1.00 23.59 N ATOM 1134 CA GLN B 29 45.625 6.372 28.340 1.00 24.76 C ATOM 1135 C GLN B 29 44.907 5.689 27.181 1.00 22.70 C ATOM 1136 O GLN B 29 44.137 6.338 26.494 1.00 21.04 O ATOM 1137 CB GLN B 29 44.647 6.513 29.466 1.00 26.45 C ATOM 1138 CG GLN B 29 44.403 5.110 30.046 1.00 28.97 C ATOM 1139 CD GLN B 29 43.680 5.141 31.292 1.00 30.42 C ATOM 1140 OE1 GLN B 29 44.019 4.454 32.233 1.00 33.37 O ATOM 1141 NE2 GLN B 29 42.620 5.918 31.315 1.00 31.76 N ATOM 1142 HE22 GLN B 29 42.374 6.487 30.480 1.00 0.00 H ATOM 1143 HE21 GLN B 29 42.027 5.964 32.168 1.00 0.00 H ATOM 1144 H GLN B 29 45.805 8.548 28.297 1.00 0.00 H ATOM 1145 N THR B 30 45.128 4.384 26.957 1.00 21.95 N ATOM 1146 CA THR B 30 44.324 3.621 26.051 1.00 21.77 C ATOM 1147 C THR B 30 42.857 3.609 26.493 1.00 20.24 C ATOM 1148 O THR B 30 42.532 3.312 27.652 1.00 20.71 O ATOM 1149 CB THR B 30 44.870 2.207 25.895 1.00 23.14 C ATOM 1150 OG1 THR B 30 46.169 2.331 25.303 1.00 25.40 O ATOM 1151 CG2 THR B 30 44.024 1.318 24.969 1.00 24.06 C ATOM 1152 HG1 THR B 30 46.563 1.431 25.183 1.00 0.00 H ATOM 1153 H THR B 30 45.908 3.912 27.458 1.00 0.00 H ATOM 1154 N ILE B 31 41.982 3.954 25.538 1.00 18.05 N ATOM 1155 CA ILE B 31 40.546 4.002 25.808 1.00 17.65 C ATOM 1156 C ILE B 31 39.750 3.011 24.972 1.00 17.52 C ATOM 1157 O ILE B 31 38.904 2.309 25.498 1.00 17.57 O ATOM 1158 CB ILE B 31 39.976 5.417 25.593 1.00 17.33 C ATOM 1159 CG1 ILE B 31 40.651 6.447 26.478 1.00 17.79 C ATOM 1160 CG2 ILE B 31 38.436 5.436 25.823 1.00 16.88 C ATOM 1161 CD1 ILE B 31 40.519 6.276 27.958 1.00 18.24 C ATOM 1162 H ILE B 31 42.331 4.192 24.588 1.00 0.00 H ATOM 1163 N SER B 32 39.923 2.996 23.647 1.00 16.84 N ATOM 1164 CA SER B 32 39.215 1.995 22.846 1.00 17.24 C ATOM 1165 C SER B 32 40.004 1.619 21.607 1.00 18.08 C ATOM 1166 O SER B 32 41.202 1.916 21.530 1.00 17.66 O ATOM 1167 CB SER B 32 37.795 2.475 22.548 1.00 16.41 C ATOM 1168 OG SER B 32 37.000 1.434 22.019 1.00 16.69 O ATOM 1169 HG SER B 32 36.951 0.693 22.673 1.00 0.00 H ATOM 1170 H SER B 32 40.553 3.686 23.190 1.00 0.00 H ATOM 1171 N ARG B 33 39.375 0.911 20.686 1.00 19.89 N ATOM 1172 CA ARG B 33 40.098 0.284 19.569 1.00 22.12 C ATOM 1173 C ARG B 33 39.270 0.400 18.324 1.00 20.98 C ATOM 1174 O ARG B 33 38.027 0.306 18.410 1.00 18.58 O ATOM 1175 CB ARG B 33 40.311 -1.223 19.829 1.00 24.52 C ATOM 1176 CG ARG B 33 40.984 -1.562 21.152 1.00 28.11 C ATOM 1177 CD ARG B 33 41.203 -3.052 21.311 1.00 30.49 C ATOM 1178 NE ARG B 33 42.350 -3.477 20.529 1.00 35.29 N ATOM 1179 CZ ARG B 33 43.629 -3.449 20.921 1.00 37.27 C ATOM 1180 NH1 ARG B 33 44.001 -2.962 22.109 1.00 40.39 N ATOM 1181 NH2 ARG B 33 44.565 -3.886 20.087 1.00 40.05 N ATOM 1182 HE ARG B 33 42.159 -3.838 19.572 1.00 0.00 H ATOM 1183 HH12 ARG B 33 45.006 -2.958 22.378 1.00 0.00 H ATOM 1184 HH11 ARG B 33 43.286 -2.588 22.765 1.00 0.00 H ATOM 1185 HH22 ARG B 33 45.565 -3.872 20.374 1.00 0.00 H ATOM 1186 HH21 ARG B 33 44.299 -4.242 19.147 1.00 0.00 H ATOM 1187 H ARG B 33 38.344 0.794 20.752 1.00 0.00 H ATOM 1188 N ARG B 34 39.921 0.550 17.173 1.00 20.89 N ATOM 1189 CA ARG B 34 39.179 0.579 15.922 1.00 21.88 C ATOM 1190 C ARG B 34 38.340 -0.668 15.680 1.00 20.63 C ATOM 1191 O ARG B 34 37.229 -0.562 15.130 1.00 19.63 O ATOM 1192 CB ARG B 34 40.110 0.866 14.724 1.00 24.01 C ATOM 1193 CG ARG B 34 39.376 1.019 13.414 1.00 26.60 C ATOM 1194 CD ARG B 34 40.234 1.667 12.325 1.00 28.67 C ATOM 1195 NE ARG B 34 39.364 2.267 11.317 1.00 32.70 N ATOM 1196 CZ ARG B 34 38.916 3.531 11.297 1.00 32.35 C ATOM 1197 NH1 ARG B 34 39.300 4.445 12.190 1.00 30.77 N ATOM 1198 NH2 ARG B 34 38.097 3.893 10.320 1.00 36.65 N ATOM 1199 HE ARG B 34 39.061 1.652 10.535 1.00 0.00 H ATOM 1200 HH12 ARG B 34 38.926 5.414 12.136 1.00 0.00 H ATOM 1201 HH11 ARG B 34 39.973 4.188 12.940 1.00 0.00 H ATOM 1202 HH22 ARG B 34 37.734 4.867 10.280 1.00 0.00 H ATOM 1203 HH21 ARG B 34 37.817 3.203 9.594 1.00 0.00 H ATOM 1204 H ARG B 34 40.957 0.646 17.168 1.00 0.00 H ATOM 1205 N ASP B 35 38.851 -1.817 16.137 1.00 20.66 N ATOM 1206 CA ASP B 35 38.132 -3.094 16.014 1.00 21.90 C ATOM 1207 C ASP B 35 36.757 -3.043 16.690 1.00 19.59 C ATOM 1208 O ASP B 35 35.880 -3.821 16.314 1.00 19.77 O ATOM 1209 CB ASP B 35 38.906 -4.255 16.651 1.00 24.21 C ATOM 1210 CG ASP B 35 40.090 -4.714 15.827 1.00 27.35 C ATOM 1211 OD1 ASP B 35 40.213 -4.309 14.665 1.00 29.51 O ATOM 1212 OD2 ASP B 35 40.887 -5.505 16.379 1.00 31.33 O ATOM 1213 H ASP B 35 39.786 -1.807 16.593 1.00 0.00 H ATOM 1214 N TRP B 36 36.587 -2.138 17.650 1.00 18.23 N ATOM 1215 CA TRP B 36 35.370 -2.049 18.459 1.00 18.00 C ATOM 1216 C TRP B 36 34.408 -0.997 17.982 1.00 17.82 C ATOM 1217 O TRP B 36 33.379 -0.791 18.620 1.00 17.43 O ATOM 1218 CB TRP B 36 35.732 -1.791 19.927 1.00 17.41 C ATOM 1219 CG TRP B 36 36.514 -2.875 20.573 1.00 17.76 C ATOM 1220 CD1 TRP B 36 36.624 -4.178 20.142 1.00 18.33 C ATOM 1221 CD2 TRP B 36 37.204 -2.808 21.825 1.00 18.03 C ATOM 1222 NE1 TRP B 36 37.355 -4.894 21.031 1.00 19.03 N ATOM 1223 CE2 TRP B 36 37.769 -4.083 22.053 1.00 18.81 C ATOM 1224 CE3 TRP B 36 37.481 -1.787 22.729 1.00 18.08 C ATOM 1225 CZ2 TRP B 36 38.556 -4.362 23.164 1.00 19.59 C ATOM 1226 CZ3 TRP B 36 38.281 -2.072 23.843 1.00 18.63 C ATOM 1227 CH2 TRP B 36 38.798 -3.348 24.041 1.00 19.46 C ATOM 1228 HE1 TRP B 36 37.569 -5.908 20.949 1.00 0.00 H ATOM 1229 H TRP B 36 37.355 -1.462 17.835 1.00 0.00 H ATOM 1230 N LEU B 37 34.688 -0.333 16.848 1.00 18.31 N ATOM 1231 CA LEU B 37 33.724 0.588 16.290 1.00 18.63 C ATOM 1232 C LEU B 37 32.384 -0.100 16.022 1.00 19.62 C ATOM 1233 O LEU B 37 32.332 -1.277 15.566 1.00 20.56 O ATOM 1234 CB LEU B 37 34.242 1.212 14.999 1.00 19.74 C ATOM 1235 CG LEU B 37 35.215 2.361 15.185 1.00 20.00 C ATOM 1236 CD1 LEU B 37 35.818 2.684 13.820 1.00 20.65 C ATOM 1237 CD2 LEU B 37 34.562 3.602 15.745 1.00 20.26 C ATOM 1238 H LEU B 37 35.600 -0.482 16.371 1.00 0.00 H ATOM 1239 N LEU B 38 31.323 0.600 16.355 1.00 19.31 N ATOM 1240 CA LEU B 38 29.980 0.008 16.394 1.00 20.72 C ATOM 1241 C LEU B 38 29.050 0.869 15.559 1.00 21.51 C ATOM 1242 O LEU B 38 28.760 2.013 15.936 1.00 20.28 O ATOM 1243 CB LEU B 38 29.480 -0.035 17.859 1.00 20.94 C ATOM 1244 CG LEU B 38 28.068 -0.572 18.015 1.00 21.61 C ATOM 1245 CD1 LEU B 38 27.935 -1.985 17.488 1.00 23.13 C ATOM 1246 CD2 LEU B 38 27.694 -0.526 19.481 1.00 21.78 C ATOM 1247 H LEU B 38 31.438 1.605 16.598 1.00 0.00 H ATOM 1248 N PRO B 39 28.549 0.339 14.434 1.00 24.22 N ATOM 1249 CA PRO B 39 27.661 1.175 13.620 1.00 25.57 C ATOM 1250 C PRO B 39 26.218 1.215 14.102 1.00 27.47 C ATOM 1251 O PRO B 39 25.345 0.570 13.518 1.00 31.27 O ATOM 1252 CB PRO B 39 27.763 0.549 12.223 1.00 26.71 C ATOM 1253 CG PRO B 39 27.948 -0.889 12.550 1.00 26.78 C ATOM 1254 CD PRO B 39 28.887 -0.916 13.740 1.00 26.03 C ATOM 1255 N MET B 40 25.919 2.104 15.042 1.00 27.22 N ATOM 1256 CA MET B 40 24.600 2.225 15.663 1.00 27.23 C ATOM 1257 C MET B 40 23.703 2.980 14.724 1.00 27.89 C ATOM 1258 O MET B 40 24.091 4.030 14.205 1.00 25.91 O ATOM 1259 CB MET B 40 24.678 2.977 17.003 1.00 28.12 C ATOM 1260 CG MET B 40 25.310 2.206 18.145 1.00 28.69 C ATOM 1261 SD MET B 40 24.364 0.675 18.641 1.00 31.48 S ATOM 1262 CE MET B 40 22.779 1.231 19.261 1.00 31.57 C ATOM 1263 H MET B 40 26.668 2.754 15.356 1.00 0.00 H ATOM 1264 N GLY B 41 22.533 2.409 14.424 1.00 28.77 N ATOM 1265 CA GLY B 41 21.664 2.930 13.381 1.00 30.21 C ATOM 1266 C GLY B 41 22.331 3.113 12.027 1.00 30.68 C ATOM 1267 O GLY B 41 21.983 4.042 11.316 1.00 32.78 O ATOM 1268 H GLY B 41 22.234 1.565 14.953 1.00 0.00 H ATOM 1269 N GLY B 42 23.285 2.253 11.680 1.00 31.54 N ATOM 1270 CA GLY B 42 23.958 2.290 10.398 1.00 31.09 C ATOM 1271 C GLY B 42 25.185 3.171 10.265 1.00 30.68 C ATOM 1272 O GLY B 42 25.699 3.311 9.141 1.00 32.52 O ATOM 1273 H GLY B 42 23.561 1.518 12.363 1.00 0.00 H ATOM 1274 N ASP B 43 25.622 3.820 11.337 1.00 27.51 N ATOM 1275 CA ASP B 43 26.787 4.729 11.247 1.00 26.52 C ATOM 1276 C ASP B 43 27.503 4.675 12.559 1.00 23.30 C ATOM 1277 O ASP B 43 26.854 4.787 13.585 1.00 23.62 O ATOM 1278 CB ASP B 43 26.324 6.160 10.988 1.00 27.52 C ATOM 1279 CG ASP B 43 27.406 7.028 10.330 1.00 28.92 C ATOM 1280 OD1 ASP B 43 28.622 6.778 10.523 1.00 27.56 O ATOM 1281 OD2 ASP B 43 27.004 8.021 9.653 1.00 30.27 O ATOM 1282 H ASP B 43 25.141 3.689 12.250 1.00 0.00 H ATOM 1283 N HIS B 44 28.819 4.514 12.572 1.00 22.74 N ATOM 1284 CA HIS B 44 29.549 4.692 13.834 1.00 21.16 C ATOM 1285 C HIS B 44 29.655 6.162 14.264 1.00 19.04 C ATOM 1286 O HIS B 44 29.818 6.416 15.460 1.00 17.83 O ATOM 1287 CB HIS B 44 30.921 3.997 13.838 1.00 22.37 C ATOM 1288 CG HIS B 44 31.918 4.559 12.875 1.00 24.73 C ATOM 1289 ND1 HIS B 44 32.535 5.770 13.071 1.00 26.03 N ATOM 1290 CD2 HIS B 44 32.459 4.043 11.741 1.00 27.02 C ATOM 1291 CE1 HIS B 44 33.365 6.012 12.073 1.00 27.22 C ATOM 1292 NE2 HIS B 44 33.345 4.979 11.254 1.00 29.23 N ATOM 1293 H HIS B 44 29.328 4.265 11.700 1.00 0.00 H ATOM 1294 N GLU B 45 29.544 7.105 13.338 1.00 17.64 N ATOM 1295 CA GLU B 45 29.535 8.538 13.682 1.00 17.35 C ATOM 1296 C GLU B 45 28.143 9.125 13.812 1.00 17.31 C ATOM 1297 O GLU B 45 27.284 8.890 12.965 1.00 16.83 O ATOM 1298 CB GLU B 45 30.309 9.359 12.659 1.00 17.91 C ATOM 1299 CG GLU B 45 30.419 10.848 12.977 1.00 17.64 C ATOM 1300 CD GLU B 45 31.325 11.604 12.043 1.00 17.83 C ATOM 1301 OE1 GLU B 45 32.565 11.474 12.184 1.00 18.31 O ATOM 1302 OE2 GLU B 45 30.808 12.381 11.241 1.00 18.84 O ATOM 1303 H GLU B 45 29.461 6.825 12.340 1.00 0.00 H ATOM 1304 N HIS B 46 27.912 9.811 14.934 1.00 17.56 N ATOM 1305 CA HIS B 46 26.672 10.531 15.211 1.00 17.93 C ATOM 1306 C HIS B 46 27.006 11.935 15.651 1.00 16.82 C ATOM 1307 O HIS B 46 27.638 12.124 16.692 1.00 17.71 O ATOM 1308 CB HIS B 46 25.930 9.784 16.318 1.00 19.31 C ATOM 1309 CG HIS B 46 25.433 8.447 15.876 1.00 20.87 C ATOM 1310 ND1 HIS B 46 24.107 8.241 15.574 1.00 24.12 N ATOM 1311 CD2 HIS B 46 26.060 7.274 15.625 1.00 21.78 C ATOM 1312 CE1 HIS B 46 23.938 6.998 15.160 1.00 23.86 C ATOM 1313 NE2 HIS B 46 25.106 6.382 15.200 1.00 22.71 N ATOM 1314 H HIS B 46 28.661 9.834 15.655 1.00 0.00 H ATOM 1315 N VAL B 47 26.604 12.938 14.892 1.00 16.08 N ATOM 1316 CA VAL B 47 26.699 14.336 15.296 1.00 16.06 C ATOM 1317 C VAL B 47 25.386 14.688 16.013 1.00 16.31 C ATOM 1318 O VAL B 47 24.310 14.528 15.451 1.00 16.83 O ATOM 1319 CB VAL B 47 26.948 15.267 14.123 1.00 16.44 C ATOM 1320 CG1 VAL B 47 27.078 16.713 14.603 1.00 16.56 C ATOM 1321 CG2 VAL B 47 28.229 14.836 13.368 1.00 15.98 C ATOM 1322 H VAL B 47 26.199 12.720 13.959 1.00 0.00 H ATOM 1323 N VAL B 48 25.501 15.146 17.246 1.00 16.45 N ATOM 1324 CA VAL B 48 24.379 15.259 18.173 1.00 16.27 C ATOM 1325 C VAL B 48 24.485 16.559 18.954 1.00 16.39 C ATOM 1326 O VAL B 48 25.524 17.197 18.980 1.00 16.58 O ATOM 1327 CB VAL B 48 24.346 14.069 19.157 1.00 16.44 C ATOM 1328 CG1 VAL B 48 24.016 12.798 18.426 1.00 17.01 C ATOM 1329 CG2 VAL B 48 25.690 13.941 19.906 1.00 16.59 C ATOM 1330 H VAL B 48 26.442 15.442 17.575 1.00 0.00 H ATOM 1331 N PHE B 49 23.396 16.949 19.586 1.00 16.28 N ATOM 1332 CA PHE B 49 23.414 18.092 20.489 1.00 16.46 C ATOM 1333 C PHE B 49 22.618 17.772 21.730 1.00 16.47 C ATOM 1334 O PHE B 49 21.660 16.992 21.683 1.00 16.74 O ATOM 1335 CB PHE B 49 22.964 19.399 19.838 1.00 16.94 C ATOM 1336 CG PHE B 49 21.524 19.405 19.423 1.00 17.70 C ATOM 1337 CD1 PHE B 49 20.539 19.808 20.303 1.00 17.72 C ATOM 1338 CD2 PHE B 49 21.163 19.029 18.131 1.00 17.93 C ATOM 1339 CE1 PHE B 49 19.198 19.808 19.920 1.00 18.81 C ATOM 1340 CE2 PHE B 49 19.840 19.006 17.746 1.00 18.78 C ATOM 1341 CZ PHE B 49 18.849 19.380 18.632 1.00 19.12 C ATOM 1342 H PHE B 49 22.507 16.431 19.437 1.00 0.00 H ATOM 1343 N ASN B 50 23.066 18.303 22.861 1.00 15.97 N ATOM 1344 CA ASN B 50 22.382 18.062 24.141 1.00 16.50 C ATOM 1345 C ASN B 50 21.336 19.175 24.415 1.00 16.65 C ATOM 1346 O ASN B 50 21.190 20.136 23.636 1.00 15.94 O ATOM 1347 CB ASN B 50 23.392 17.867 25.290 1.00 17.05 C ATOM 1348 CG ASN B 50 24.175 19.094 25.638 1.00 17.90 C ATOM 1349 OD1 ASN B 50 23.853 20.225 25.247 1.00 19.12 O ATOM 1350 ND2 ASN B 50 25.231 18.867 26.431 1.00 18.68 N ATOM 1351 HD22 ASN B 50 25.457 17.897 26.730 1.00 0.00 H ATOM 1352 HD21 ASN B 50 25.824 19.661 26.747 1.00 0.00 H ATOM 1353 H ASN B 50 23.917 18.901 22.842 1.00 0.00 H ATOM 1354 N PRO B 51 20.589 19.065 25.525 1.00 17.77 N ATOM 1355 CA PRO B 51 19.593 20.104 25.808 1.00 18.24 C ATOM 1356 C PRO B 51 20.172 21.507 26.039 1.00 18.75 C ATOM 1357 O PRO B 51 19.454 22.478 25.853 1.00 20.16 O ATOM 1358 CB PRO B 51 18.890 19.583 27.045 1.00 18.78 C ATOM 1359 CG PRO B 51 19.037 18.117 26.944 1.00 18.61 C ATOM 1360 CD PRO B 51 20.401 17.898 26.396 1.00 18.12 C ATOM 1361 N ALA B 52 21.443 21.573 26.435 1.00 18.25 N ATOM 1362 CA ALA B 52 22.138 22.835 26.589 1.00 18.38 C ATOM 1363 C ALA B 52 22.629 23.412 25.266 1.00 18.14 C ATOM 1364 O ALA B 52 23.190 24.495 25.247 1.00 18.10 O ATOM 1365 CB ALA B 52 23.305 22.684 27.558 1.00 18.61 C ATOM 1366 H ALA B 52 21.952 20.690 26.640 1.00 0.00 H ATOM 1367 N GLY B 53 22.395 22.705 24.168 1.00 17.78 N ATOM 1368 CA GLY B 53 22.778 23.142 22.833 1.00 18.30 C ATOM 1369 C GLY B 53 24.226 22.881 22.480 1.00 18.65 C ATOM 1370 O GLY B 53 24.684 23.331 21.417 1.00 19.13 O ATOM 1371 H GLY B 53 21.912 21.789 24.266 1.00 0.00 H ATOM 1372 N MET B 54 24.944 22.125 23.304 1.00 19.17 N ATOM 1373 CA MET B 54 26.335 21.754 22.961 1.00 20.59 C ATOM 1374 C MET B 54 26.302 20.668 21.877 1.00 18.53 C ATOM 1375 O MET B 54 25.587 19.696 22.008 1.00 17.34 O ATOM 1376 CB MET B 54 27.086 21.227 24.182 1.00 24.36 C ATOM 1377 CG MET B 54 27.184 22.180 25.342 1.00 29.02 C ATOM 1378 SD MET B 54 27.922 23.759 24.870 1.00 37.41 S ATOM 1379 CE MET B 54 29.483 23.237 24.222 1.00 34.86 C ATOM 1380 H MET B 54 24.526 21.792 24.196 1.00 0.00 H ATOM 1381 N ILE B 55 27.105 20.867 20.836 1.00 17.81 N ATOM 1382 CA ILE B 55 27.218 19.924 19.717 1.00 17.55 C ATOM 1383 C ILE B 55 28.418 19.038 19.921 1.00 17.33 C ATOM 1384 O ILE B 55 29.510 19.523 20.302 1.00 18.38 O ATOM 1385 CB ILE B 55 27.327 20.687 18.374 1.00 17.62 C ATOM 1386 CG1 ILE B 55 25.998 21.404 18.128 1.00 17.89 C ATOM 1387 CG2 ILE B 55 27.572 19.757 17.207 1.00 17.62 C ATOM 1388 CD1 ILE B 55 26.026 22.408 17.055 1.00 18.63 C ATOM 1389 H ILE B 55 27.681 21.733 20.814 1.00 0.00 H ATOM 1390 N PHE B 56 28.244 17.750 19.680 1.00 16.32 N ATOM 1391 CA PHE B 56 29.320 16.759 19.802 1.00 16.60 C ATOM 1392 C PHE B 56 29.346 15.863 18.596 1.00 16.41 C ATOM 1393 O PHE B 56 28.279 15.497 18.087 1.00 16.52 O ATOM 1394 CB PHE B 56 29.138 15.850 21.018 1.00 16.88 C ATOM 1395 CG PHE B 56 29.035 16.585 22.327 1.00 17.34 C ATOM 1396 CD1 PHE B 56 30.181 16.920 23.049 1.00 18.41 C ATOM 1397 CD2 PHE B 56 27.784 16.907 22.878 1.00 18.31 C ATOM 1398 CE1 PHE B 56 30.095 17.597 24.249 1.00 18.71 C ATOM 1399 CE2 PHE B 56 27.686 17.560 24.073 1.00 18.76 C ATOM 1400 CZ PHE B 56 28.829 17.918 24.761 1.00 19.08 C ATOM 1401 H PHE B 56 27.300 17.423 19.390 1.00 0.00 H ATOM 1402 N ARG B 57 30.524 15.479 18.145 1.00 16.05 N ATOM 1403 CA ARG B 57 30.654 14.447 17.121 1.00 16.57 C ATOM 1404 C ARG B 57 31.103 13.184 17.828 1.00 16.30 C ATOM 1405 O ARG B 57 32.245 13.079 18.281 1.00 16.18 O ATOM 1406 CB ARG B 57 31.600 14.867 15.984 1.00 17.41 C ATOM 1407 CG ARG B 57 31.798 13.818 14.906 1.00 18.25 C ATOM 1408 CD ARG B 57 32.467 14.459 13.732 1.00 19.13 C ATOM 1409 NE ARG B 57 33.835 14.868 14.080 1.00 19.89 N ATOM 1410 CZ ARG B 57 34.948 14.230 13.754 1.00 19.73 C ATOM 1411 NH1 ARG B 57 34.920 13.128 13.046 1.00 20.11 N ATOM 1412 NH2 ARG B 57 36.115 14.715 14.164 1.00 21.23 N ATOM 1413 HE ARG B 57 33.938 15.741 14.635 1.00 0.00 H ATOM 1414 HH12 ARG B 57 35.808 12.644 12.802 1.00 0.00 H ATOM 1415 HH11 ARG B 57 34.010 12.737 12.728 1.00 0.00 H ATOM 1416 HH22 ARG B 57 36.998 14.225 13.916 1.00 0.00 H ATOM 1417 HH21 ARG B 57 36.146 15.585 14.733 1.00 0.00 H ATOM 1418 H ARG B 57 31.383 15.923 18.529 1.00 0.00 H ATOM 1419 N VAL B 58 30.199 12.226 17.951 1.00 16.38 N ATOM 1420 CA VAL B 58 30.365 11.026 18.745 1.00 17.33 C ATOM 1421 C VAL B 58 30.637 9.829 17.847 1.00 16.17 C ATOM 1422 O VAL B 58 30.015 9.669 16.794 1.00 16.45 O ATOM 1423 CB VAL B 58 29.042 10.777 19.540 1.00 19.10 C ATOM 1424 CG1 VAL B 58 29.014 9.427 20.189 1.00 20.79 C ATOM 1425 CG2 VAL B 58 28.816 11.920 20.561 1.00 20.34 C ATOM 1426 H VAL B 58 29.301 12.343 17.439 1.00 0.00 H ATOM 1427 N TRP B 59 31.610 9.009 18.219 1.00 15.81 N ATOM 1428 CA TRP B 59 31.856 7.720 17.587 1.00 15.86 C ATOM 1429 C TRP B 59 31.425 6.629 18.532 1.00 16.06 C ATOM 1430 O TRP B 59 31.781 6.665 19.708 1.00 15.91 O ATOM 1431 CB TRP B 59 33.346 7.547 17.196 1.00 16.53 C ATOM 1432 CG TRP B 59 33.647 8.224 15.876 1.00 16.78 C ATOM 1433 CD1 TRP B 59 32.944 9.240 15.294 1.00 17.60 C ATOM 1434 CD2 TRP B 59 34.734 7.949 14.995 1.00 17.18 C ATOM 1435 NE1 TRP B 59 33.526 9.611 14.112 1.00 18.05 N ATOM 1436 CE2 TRP B 59 34.605 8.824 13.882 1.00 17.73 C ATOM 1437 CE3 TRP B 59 35.799 7.050 15.023 1.00 17.59 C ATOM 1438 CZ2 TRP B 59 35.511 8.829 12.835 1.00 18.35 C ATOM 1439 CZ3 TRP B 59 36.678 7.040 13.972 1.00 18.26 C ATOM 1440 CH2 TRP B 59 36.535 7.914 12.891 1.00 18.69 C ATOM 1441 HE1 TRP B 59 33.193 10.375 13.490 1.00 0.00 H ATOM 1442 H TRP B 59 32.229 9.301 19.002 1.00 0.00 H ATOM 1443 N CYS B 60 30.692 5.651 18.031 1.00 16.29 N ATOM 1444 CA CYS B 60 30.195 4.566 18.858 1.00 16.41 C ATOM 1445 C CYS B 60 31.184 3.395 18.859 1.00 16.03 C ATOM 1446 O CYS B 60 31.668 2.968 17.788 1.00 15.84 O ATOM 1447 CB CYS B 60 28.854 4.090 18.362 1.00 16.97 C ATOM 1448 SG CYS B 60 27.576 5.346 18.565 1.00 19.15 S ATOM 1449 H CYS B 60 30.465 5.658 17.016 1.00 0.00 H ATOM 1450 N PHE B 61 31.450 2.892 20.070 1.00 15.63 N ATOM 1451 CA PHE B 61 32.320 1.741 20.282 1.00 15.55 C ATOM 1452 C PHE B 61 31.624 0.709 21.151 1.00 15.76 C ATOM 1453 O PHE B 61 30.912 1.062 22.059 1.00 15.55 O ATOM 1454 CB PHE B 61 33.594 2.135 21.000 1.00 15.25 C ATOM 1455 CG PHE B 61 34.495 3.044 20.213 1.00 15.52 C ATOM 1456 CD1 PHE B 61 34.327 4.432 20.233 1.00 15.69 C ATOM 1457 CD2 PHE B 61 35.526 2.507 19.478 1.00 15.99 C ATOM 1458 CE1 PHE B 61 35.178 5.263 19.546 1.00 15.91 C ATOM 1459 CE2 PHE B 61 36.414 3.339 18.799 1.00 16.18 C ATOM 1460 CZ PHE B 61 36.239 4.719 18.821 1.00 16.11 C ATOM 1461 H PHE B 61 31.015 3.344 20.900 1.00 0.00 H ATOM 1462 N SER B 62 31.809 -0.566 20.883 1.00 16.02 N ATOM 1463 CA SER B 62 31.157 -1.607 21.677 1.00 16.40 C ATOM 1464 C SER B 62 31.680 -1.691 23.102 1.00 16.76 C ATOM 1465 O SER B 62 30.916 -1.981 24.034 1.00 17.75 O ATOM 1466 CB SER B 62 31.328 -2.959 21.014 1.00 17.15 C ATOM 1467 OG SER B 62 32.731 -3.203 20.878 1.00 18.10 O ATOM 1468 HG SER B 62 33.136 -2.492 20.321 1.00 0.00 H ATOM 1469 H SER B 62 32.429 -0.838 20.094 1.00 0.00 H ATOM 1470 N LEU B 63 32.974 -1.444 23.249 1.00 16.03 N ATOM 1471 CA LEU B 63 33.667 -1.557 24.522 1.00 16.52 C ATOM 1472 C LEU B 63 34.645 -0.413 24.634 1.00 16.54 C ATOM 1473 O LEU B 63 34.976 0.251 23.630 1.00 16.24 O ATOM 1474 CB LEU B 63 34.449 -2.873 24.578 1.00 16.88 C ATOM 1475 CG LEU B 63 33.710 -4.194 24.398 1.00 17.51 C ATOM 1476 CD1 LEU B 63 34.720 -5.321 24.413 1.00 18.76 C ATOM 1477 CD2 LEU B 63 32.579 -4.389 25.398 1.00 17.67 C ATOM 1478 H LEU B 63 33.520 -1.155 22.413 1.00 0.00 H ATOM 1479 N ALA B 64 35.086 -0.175 25.849 1.00 16.77 N ATOM 1480 CA ALA B 64 36.152 0.769 26.139 1.00 17.06 C ATOM 1481 C ALA B 64 36.801 0.382 27.447 1.00 18.43 C ATOM 1482 O ALA B 64 36.293 -0.485 28.158 1.00 18.81 O ATOM 1483 CB ALA B 64 35.630 2.183 26.212 1.00 16.97 C ATOM 1484 H ALA B 64 34.650 -0.688 26.642 1.00 0.00 H ATOM 1485 N GLN B 65 37.915 1.010 27.751 1.00 18.92 N ATOM 1486 CA GLN B 65 38.635 0.786 28.995 1.00 20.54 C ATOM 1487 C GLN B 65 39.220 2.085 29.460 1.00 19.69 C ATOM 1488 O GLN B 65 39.298 3.052 28.723 1.00 18.65 O ATOM 1489 CB GLN B 65 39.768 -0.216 28.831 1.00 23.26 C ATOM 1490 CG GLN B 65 40.732 0.169 27.723 1.00 25.41 C ATOM 1491 CD GLN B 65 41.696 -0.958 27.449 1.00 29.42 C ATOM 1492 OE1 GLN B 65 41.414 -1.913 26.710 1.00 32.93 O ATOM 1493 NE2 GLN B 65 42.812 -0.889 28.114 1.00 31.46 N ATOM 1494 HE22 GLN B 65 43.005 -0.068 28.722 1.00 0.00 H ATOM 1495 HE21 GLN B 65 43.511 -1.655 28.038 1.00 0.00 H ATOM 1496 H GLN B 65 38.299 1.698 27.072 1.00 0.00 H ATOM 1497 N GLY B 66 39.619 2.102 30.725 1.00 19.69 N ATOM 1498 CA GLY B 66 40.287 3.250 31.286 1.00 19.87 C ATOM 1499 C GLY B 66 39.444 4.468 31.566 1.00 19.39 C ATOM 1500 O GLY B 66 39.991 5.511 31.882 1.00 20.65 O ATOM 1501 H GLY B 66 39.446 1.270 31.325 1.00 0.00 H ATOM 1502 N LEU B 67 38.126 4.333 31.481 1.00 18.56 N ATOM 1503 CA LEU B 67 37.217 5.427 31.784 1.00 18.59 C ATOM 1504 C LEU B 67 36.694 5.300 33.205 1.00 19.70 C ATOM 1505 O LEU B 67 36.900 4.260 33.861 1.00 19.51 O ATOM 1506 CB LEU B 67 36.026 5.408 30.814 1.00 18.03 C ATOM 1507 CG LEU B 67 36.396 5.540 29.338 1.00 17.67 C ATOM 1508 CD1 LEU B 67 35.271 5.115 28.422 1.00 16.89 C ATOM 1509 CD2 LEU B 67 36.743 6.978 29.017 1.00 18.19 C ATOM 1510 H LEU B 67 37.731 3.416 31.189 1.00 0.00 H ATOM 1511 N ARG B 68 36.061 6.358 33.686 1.00 19.94 N ATOM 1512 CA ARG B 68 35.317 6.334 34.933 1.00 22.05 C ATOM 1513 C ARG B 68 33.935 6.868 34.642 1.00 21.00 C ATOM 1514 O ARG B 68 33.788 7.991 34.163 1.00 20.81 O ATOM 1515 CB ARG B 68 36.015 7.207 35.962 1.00 24.40 C ATOM 1516 CG ARG B 68 35.404 7.202 37.332 1.00 26.54 C ATOM 1517 CD ARG B 68 35.459 5.834 37.998 1.00 29.42 C ATOM 1518 NE ARG B 68 34.727 5.843 39.262 1.00 31.37 N ATOM 1519 CZ ARG B 68 35.218 6.214 40.448 1.00 32.93 C ATOM 1520 NH1 ARG B 68 36.486 6.621 40.572 1.00 33.73 N ATOM 1521 NH2 ARG B 68 34.421 6.208 41.507 1.00 34.75 N ATOM 1522 HE ARG B 68 33.735 5.533 39.237 1.00 0.00 H ATOM 1523 HH12 ARG B 68 36.852 6.906 41.503 1.00 0.00 H ATOM 1524 HH11 ARG B 68 37.106 6.652 39.738 1.00 0.00 H ATOM 1525 HH22 ARG B 68 34.789 6.494 42.437 1.00 0.00 H ATOM 1526 HH21 ARG B 68 33.427 5.917 41.408 1.00 0.00 H ATOM 1527 H ARG B 68 36.098 7.247 33.147 1.00 0.00 H ATOM 1528 N LEU B 69 32.924 6.055 34.887 1.00 20.60 N ATOM 1529 CA LEU B 69 31.538 6.406 34.623 1.00 21.97 C ATOM 1530 C LEU B 69 30.979 7.019 35.875 1.00 24.22 C ATOM 1531 O LEU B 69 31.129 6.451 36.969 1.00 25.28 O ATOM 1532 CB LEU B 69 30.751 5.169 34.233 1.00 21.54 C ATOM 1533 CG LEU B 69 31.327 4.366 33.077 1.00 21.95 C ATOM 1534 CD1 LEU B 69 30.391 3.245 32.676 1.00 22.85 C ATOM 1535 CD2 LEU B 69 31.685 5.221 31.900 1.00 22.10 C ATOM 1536 H LEU B 69 33.129 5.118 35.288 1.00 0.00 H ATOM 1537 N ILE B 70 30.373 8.203 35.739 1.00 25.41 N ATOM 1538 CA ILE B 70 29.974 9.019 36.880 1.00 28.49 C ATOM 1539 C ILE B 70 28.467 9.153 36.993 1.00 28.65 C ATOM 1540 O ILE B 70 27.776 9.347 36.014 1.00 28.61 O ATOM 1541 CB ILE B 70 30.616 10.411 36.738 1.00 31.39 C ATOM 1542 CG1 ILE B 70 32.120 10.260 37.005 1.00 33.38 C ATOM 1543 CG2 ILE B 70 29.994 11.430 37.693 1.00 33.32 C ATOM 1544 CD1 ILE B 70 32.905 11.504 36.848 1.00 35.28 C ATOM 1545 H ILE B 70 30.178 8.556 34.781 1.00 0.00 H ATOM 1546 N GLY B 71 27.966 9.048 38.219 1.00 28.86 N ATOM 1547 CA GLY B 71 26.536 9.210 38.483 1.00 30.32 C ATOM 1548 C GLY B 71 25.725 7.971 38.160 1.00 29.93 C ATOM 1549 O GLY B 71 26.264 6.909 37.790 1.00 34.10 O ATOM 1550 H GLY B 71 28.607 8.845 39.012 1.00 0.00 H ATOM 1551 N ALA B 72 24.406 8.123 38.272 1.00 29.85 N ATOM 1552 CA ALA B 72 23.460 7.055 37.957 1.00 28.82 C ATOM 1553 C ALA B 72 23.005 7.213 36.511 1.00 27.41 C ATOM 1554 O ALA B 72 22.996 8.341 36.004 1.00 27.51 O ATOM 1555 CB ALA B 72 22.270 7.111 38.884 1.00 30.28 C ATOM 1556 H ALA B 72 24.035 9.039 38.597 1.00 0.00 H ATOM 1557 N PRO B 73 22.620 6.110 35.837 1.00 26.78 N ATOM 1558 CA PRO B 73 22.182 6.233 34.443 1.00 25.72 C ATOM 1559 C PRO B 73 20.908 7.059 34.324 1.00 25.56 C ATOM 1560 O PRO B 73 20.080 7.088 35.261 1.00 25.91 O ATOM 1561 CB PRO B 73 21.893 4.795 34.028 1.00 26.61 C ATOM 1562 CG PRO B 73 22.641 3.956 35.008 1.00 27.46 C ATOM 1563 CD PRO B 73 22.652 4.715 36.282 1.00 26.96 C ATOM 1564 N SER B 74 20.780 7.755 33.199 1.00 24.79 N ATOM 1565 CA SER B 74 19.630 8.586 32.935 1.00 24.70 C ATOM 1566 C SER B 74 19.127 8.296 31.541 1.00 24.21 C ATOM 1567 O SER B 74 19.920 8.147 30.604 1.00 22.14 O ATOM 1568 CB SER B 74 20.002 10.056 33.059 1.00 26.13 C ATOM 1569 OG SER B 74 18.924 10.902 32.658 1.00 27.94 O ATOM 1570 HG SER B 74 19.197 11.849 32.750 1.00 0.00 H ATOM 1571 H SER B 74 21.534 7.699 32.485 1.00 0.00 H ATOM 1572 N GLY B 75 17.795 8.253 31.423 1.00 24.25 N ATOM 1573 CA GLY B 75 17.145 8.152 30.127 1.00 25.45 C ATOM 1574 C GLY B 75 16.859 9.471 29.447 1.00 25.56 C ATOM 1575 O GLY B 75 16.557 9.479 28.245 1.00 27.39 O ATOM 1576 H GLY B 75 17.209 8.293 32.281 1.00 0.00 H ATOM 1577 N GLU B 76 17.017 10.573 30.182 1.00 26.01 N ATOM 1578 CA GLU B 76 16.649 11.922 29.697 1.00 27.16 C ATOM 1579 C GLU B 76 17.428 12.291 28.462 1.00 26.47 C ATOM 1580 O GLU B 76 18.671 12.309 28.514 1.00 26.07 O ATOM 1581 CB GLU B 76 17.005 12.989 30.725 1.00 29.04 C ATOM 1582 CG GLU B 76 16.285 12.938 32.042 1.00 31.66 C ATOM 1583 CD GLU B 76 15.027 13.735 32.056 1.00 33.88 C ATOM 1584 OE1 GLU B 76 14.685 14.353 31.011 1.00 34.88 O ATOM 1585 OE2 GLU B 76 14.399 13.707 33.120 1.00 36.59 O ATOM 1586 H GLU B 76 17.416 10.480 31.138 1.00 0.00 H ATOM 1587 N PHE B 77 16.729 12.564 27.352 1.00 24.63 N ATOM 1588 CA PHE B 77 17.341 13.068 26.125 1.00 24.89 C ATOM 1589 C PHE B 77 18.425 12.183 25.549 1.00 22.47 C ATOM 1590 O PHE B 77 19.341 12.626 24.850 1.00 21.00 O ATOM 1591 CB PHE B 77 17.867 14.468 26.359 1.00 27.20 C ATOM 1592 CG PHE B 77 16.839 15.397 26.966 1.00 29.48 C ATOM 1593 CD1 PHE B 77 15.730 15.791 26.219 1.00 31.65 C ATOM 1594 CD2 PHE B 77 16.955 15.847 28.269 1.00 33.31 C ATOM 1595 CE1 PHE B 77 14.751 16.600 26.759 1.00 33.61 C ATOM 1596 CE2 PHE B 77 15.984 16.672 28.812 1.00 33.00 C ATOM 1597 CZ PHE B 77 14.884 17.050 28.053 1.00 34.31 C ATOM 1598 H PHE B 77 15.701 12.410 27.365 1.00 0.00 H ATOM 1599 N SER B 78 18.273 10.880 25.795 1.00 20.94 N ATOM 1600 CA SER B 78 19.239 9.936 25.252 1.00 19.77 C ATOM 1601 C SER B 78 19.277 10.044 23.726 1.00 19.00 C ATOM 1602 O SER B 78 18.202 10.017 23.057 1.00 19.24 O ATOM 1603 CB SER B 78 18.870 8.518 25.622 1.00 19.94 C ATOM 1604 OG SER B 78 19.888 7.662 25.086 1.00 19.62 O ATOM 1605 HG SER B 78 19.678 6.721 25.310 1.00 0.00 H ATOM 1606 H SER B 78 17.473 10.543 26.368 1.00 0.00 H ATOM 1607 N TRP B 79 20.482 10.092 23.175 1.00 17.55 N ATOM 1608 CA TRP B 79 20.631 10.122 21.724 1.00 18.19 C ATOM 1609 C TRP B 79 20.362 8.767 21.065 1.00 18.93 C ATOM 1610 O TRP B 79 20.259 8.693 19.834 1.00 20.62 O ATOM 1611 CB TRP B 79 22.033 10.612 21.313 1.00 17.52 C ATOM 1612 CG TRP B 79 22.290 12.028 21.718 1.00 17.21 C ATOM 1613 CD1 TRP B 79 21.469 13.081 21.543 1.00 17.28 C ATOM 1614 CD2 TRP B 79 23.452 12.530 22.378 1.00 16.61 C ATOM 1615 NE1 TRP B 79 22.032 14.203 22.047 1.00 17.44 N ATOM 1616 CE2 TRP B 79 23.270 13.907 22.549 1.00 16.52 C ATOM 1617 CE3 TRP B 79 24.656 11.949 22.800 1.00 16.67 C ATOM 1618 CZ2 TRP B 79 24.225 14.725 23.155 1.00 17.07 C ATOM 1619 CZ3 TRP B 79 25.594 12.743 23.407 1.00 16.73 C ATOM 1620 CH2 TRP B 79 25.385 14.114 23.578 1.00 17.04 C ATOM 1621 HE1 TRP B 79 21.592 15.145 22.052 1.00 0.00 H ATOM 1622 H TRP B 79 21.327 10.108 23.781 1.00 0.00 H ATOM 1623 N PHE B 80 20.253 7.702 21.869 1.00 19.09 N ATOM 1624 CA PHE B 80 20.050 6.365 21.355 1.00 20.37 C ATOM 1625 C PHE B 80 18.835 5.778 22.037 1.00 21.51 C ATOM 1626 O PHE B 80 18.847 5.482 23.220 1.00 21.06 O ATOM 1627 CB PHE B 80 21.304 5.513 21.548 1.00 20.05 C ATOM 1628 CG PHE B 80 22.516 6.088 20.864 1.00 20.32 C ATOM 1629 CD1 PHE B 80 22.751 5.876 19.522 1.00 20.94 C ATOM 1630 CD2 PHE B 80 23.398 6.901 21.556 1.00 19.76 C ATOM 1631 CE1 PHE B 80 23.862 6.468 18.894 1.00 21.15 C ATOM 1632 CE2 PHE B 80 24.494 7.459 20.962 1.00 20.00 C ATOM 1633 CZ PHE B 80 24.714 7.273 19.622 1.00 20.37 C ATOM 1634 H PHE B 80 20.316 7.841 22.898 1.00 0.00 H ATOM 1635 N LYS B 81 17.759 5.649 21.262 1.00 24.25 N ATOM 1636 CA LYS B 81 16.474 5.252 21.818 1.00 25.99 C ATOM 1637 C LYS B 81 16.586 3.875 22.460 1.00 25.35 C ATOM 1638 O LYS B 81 17.196 2.970 21.898 1.00 26.49 O ATOM 1639 CB LYS B 81 15.418 5.245 20.701 1.00 28.93 C ATOM 1640 CG LYS B 81 14.047 4.771 21.140 1.00 31.60 C ATOM 1641 CD LYS B 81 13.013 4.961 20.020 1.00 34.41 C ATOM 1642 CE LYS B 81 11.779 4.079 20.214 1.00 37.08 C ATOM 1643 NZ LYS B 81 10.751 4.242 19.152 1.00 39.37 N ATOM 1644 HZ1 LYS B 81 10.425 5.230 19.135 1.00 0.00 H ATOM 1645 HZ2 LYS B 81 11.165 3.996 18.230 1.00 0.00 H ATOM 1646 HZ3 LYS B 81 9.946 3.614 19.351 1.00 0.00 H ATOM 1647 H LYS B 81 17.839 5.835 20.242 1.00 0.00 H ATOM 1648 N GLY B 82 16.067 3.758 23.671 1.00 24.50 N ATOM 1649 CA GLY B 82 16.079 2.507 24.414 1.00 24.41 C ATOM 1650 C GLY B 82 17.260 2.357 25.351 1.00 23.26 C ATOM 1651 O GLY B 82 17.369 1.330 26.059 1.00 23.97 O ATOM 1652 H GLY B 82 15.632 4.595 24.110 1.00 0.00 H ATOM 1653 N TYR B 83 18.177 3.342 25.346 1.00 21.16 N ATOM 1654 CA TYR B 83 19.351 3.308 26.207 1.00 20.74 C ATOM 1655 C TYR B 83 19.340 4.444 27.215 1.00 20.87 C ATOM 1656 O TYR B 83 18.928 5.558 26.897 1.00 21.20 O ATOM 1657 CB TYR B 83 20.646 3.408 25.359 1.00 19.61 C ATOM 1658 CG TYR B 83 20.867 2.197 24.484 1.00 19.69 C ATOM 1659 CD1 TYR B 83 20.337 2.146 23.198 1.00 19.92 C ATOM 1660 CD2 TYR B 83 21.556 1.083 24.945 1.00 20.22 C ATOM 1661 CE1 TYR B 83 20.523 1.025 22.402 1.00 20.68 C ATOM 1662 CE2 TYR B 83 21.756 -0.021 24.152 1.00 20.29 C ATOM 1663 CZ TYR B 83 21.255 -0.044 22.856 1.00 21.31 C ATOM 1664 OH TYR B 83 21.398 -1.140 22.019 1.00 22.23 O ATOM 1665 HH TYR B 83 20.971 -0.946 21.147 1.00 0.00 H ATOM 1666 H TYR B 83 18.043 4.152 24.708 1.00 0.00 H ATOM 1667 N ASP B 84 19.890 4.185 28.383 1.00 21.82 N ATOM 1668 CA ASP B 84 20.178 5.169 29.402 1.00 22.37 C ATOM 1669 C ASP B 84 21.676 5.470 29.302 1.00 22.16 C ATOM 1670 O ASP B 84 22.426 4.595 28.903 1.00 23.19 O ATOM 1671 CB ASP B 84 19.889 4.575 30.771 1.00 24.38 C ATOM 1672 CG ASP B 84 18.477 4.753 31.214 1.00 27.12 C ATOM 1673 OD1 ASP B 84 17.549 4.836 30.385 1.00 27.35 O ATOM 1674 OD2 ASP B 84 18.344 4.772 32.461 1.00 29.03 O ATOM 1675 H ASP B 84 20.136 3.196 28.588 1.00 0.00 H ATOM 1676 N TRP B 85 22.063 6.675 29.699 1.00 20.22 N ATOM 1677 CA TRP B 85 23.464 7.097 29.619 1.00 19.84 C ATOM 1678 C TRP B 85 24.075 7.517 30.951 1.00 19.31 C ATOM 1679 O TRP B 85 23.368 7.963 31.870 1.00 20.02 O ATOM 1680 CB TRP B 85 23.617 8.238 28.615 1.00 20.42 C ATOM 1681 CG TRP B 85 22.740 9.409 28.887 1.00 20.78 C ATOM 1682 CD1 TRP B 85 21.506 9.646 28.363 1.00 21.54 C ATOM 1683 CD2 TRP B 85 23.002 10.487 29.771 1.00 21.40 C ATOM 1684 NE1 TRP B 85 20.979 10.800 28.867 1.00 21.99 N ATOM 1685 CE2 TRP B 85 21.885 11.353 29.720 1.00 21.98 C ATOM 1686 CE3 TRP B 85 24.097 10.836 30.581 1.00 21.43 C ATOM 1687 CZ2 TRP B 85 21.820 12.536 30.462 1.00 22.57 C ATOM 1688 CZ3 TRP B 85 24.039 12.008 31.324 1.00 22.26 C ATOM 1689 CH2 TRP B 85 22.891 12.841 31.267 1.00 22.70 C ATOM 1690 HE1 TRP B 85 20.043 11.191 28.638 1.00 0.00 H ATOM 1691 H TRP B 85 21.355 7.337 30.076 1.00 0.00 H ATOM 1692 N THR B 86 25.406 7.392 30.993 1.00 18.13 N ATOM 1693 CA THR B 86 26.209 7.898 32.092 1.00 18.62 C ATOM 1694 C THR B 86 27.400 8.622 31.494 1.00 18.18 C ATOM 1695 O THR B 86 27.934 8.184 30.499 1.00 18.72 O ATOM 1696 CB THR B 86 26.739 6.800 33.045 1.00 19.08 C ATOM 1697 OG1 THR B 86 27.389 5.782 32.284 1.00 18.59 O ATOM 1698 CG2 THR B 86 25.656 6.295 33.981 1.00 19.76 C ATOM 1699 HG1 THR B 86 28.146 6.178 31.783 1.00 0.00 H ATOM 1700 H THR B 86 25.886 6.912 30.205 1.00 0.00 H ATOM 1701 N ILE B 87 27.800 9.720 32.102 1.00 18.28 N ATOM 1702 CA ILE B 87 28.976 10.468 31.667 1.00 18.75 C ATOM 1703 C ILE B 87 30.235 9.622 31.870 1.00 18.37 C ATOM 1704 O ILE B 87 30.391 9.005 32.909 1.00 18.20 O ATOM 1705 CB ILE B 87 29.085 11.818 32.420 1.00 20.76 C ATOM 1706 CG1 ILE B 87 27.926 12.732 32.026 1.00 22.48 C ATOM 1707 CG2 ILE B 87 30.464 12.477 32.247 1.00 21.22 C ATOM 1708 CD1 ILE B 87 27.779 13.967 32.867 1.00 23.77 C ATOM 1709 H ILE B 87 27.259 10.066 32.920 1.00 0.00 H ATOM 1710 N ALA B 88 31.105 9.609 30.879 1.00 18.02 N ATOM 1711 CA ALA B 88 32.379 8.884 30.914 1.00 17.73 C ATOM 1712 C ALA B 88 33.551 9.851 30.905 1.00 18.47 C ATOM 1713 O ALA B 88 33.723 10.576 29.953 1.00 18.25 O ATOM 1714 CB ALA B 88 32.470 7.932 29.708 1.00 17.19 C ATOM 1715 H ALA B 88 30.873 10.146 30.019 1.00 0.00 H ATOM 1716 N LEU B 89 34.342 9.834 31.960 1.00 18.90 N ATOM 1717 CA LEU B 89 35.602 10.570 32.031 1.00 19.79 C ATOM 1718 C LEU B 89 36.774 9.648 31.821 1.00 20.39 C ATOM 1719 O LEU B 89 36.705 8.468 32.123 1.00 20.75 O ATOM 1720 CB LEU B 89 35.759 11.227 33.394 1.00 21.09 C ATOM 1721 CG LEU B 89 34.619 12.087 33.906 1.00 21.65 C ATOM 1722 CD1 LEU B 89 35.002 12.739 35.209 1.00 23.27 C ATOM 1723 CD2 LEU B 89 34.292 13.180 32.905 1.00 22.02 C ATOM 1724 H LEU B 89 34.054 9.268 32.783 1.00 0.00 H ATOM 1725 N CYS B 90 37.872 10.175 31.322 1.00 19.77 N ATOM 1726 CA CYS B 90 39.132 9.448 31.409 1.00 20.64 C ATOM 1727 C CYS B 90 39.440 9.157 32.882 1.00 20.28 C ATOM 1728 O CYS B 90 39.425 10.046 33.701 1.00 20.78 O ATOM 1729 CB CYS B 90 40.250 10.240 30.820 1.00 21.62 C ATOM 1730 SG CYS B 90 41.832 9.358 30.882 1.00 21.95 S ATOM 1731 H CYS B 90 37.840 11.109 30.866 1.00 0.00 H ATOM 1732 N GLY B 91 39.668 7.898 33.218 1.00 20.29 N ATOM 1733 CA GLY B 91 39.941 7.516 34.582 1.00 20.68 C ATOM 1734 C GLY B 91 41.290 8.024 35.086 1.00 21.46 C ATOM 1735 O GLY B 91 41.520 8.143 36.283 1.00 22.11 O ATOM 1736 H GLY B 91 39.650 7.165 32.480 1.00 0.00 H ATOM 1737 N GLN B 92 42.188 8.290 34.141 1.00 21.13 N ATOM 1738 CA GLN B 92 43.550 8.693 34.451 1.00 22.42 C ATOM 1739 C GLN B 92 43.652 10.196 34.634 1.00 22.72 C ATOM 1740 O GLN B 92 44.190 10.637 35.637 1.00 24.36 O ATOM 1741 CB GLN B 92 44.490 8.192 33.356 1.00 22.12 C ATOM 1742 CG GLN B 92 45.951 8.326 33.665 1.00 23.22 C ATOM 1743 CD GLN B 92 46.776 7.257 32.944 1.00 23.21 C ATOM 1744 OE1 GLN B 92 47.040 6.156 33.473 1.00 23.64 O ATOM 1745 NE2 GLN B 92 47.231 7.617 31.748 1.00 23.04 N ATOM 1746 HE22 GLN B 92 46.980 8.546 31.354 1.00 0.00 H ATOM 1747 HE21 GLN B 92 47.838 6.969 31.206 1.00 0.00 H ATOM 1748 H GLN B 92 41.905 8.207 33.144 1.00 0.00 H ATOM 1749 N CYS B 93 43.109 10.979 33.720 1.00 23.12 N ATOM 1750 CA CYS B 93 43.221 12.453 33.790 1.00 24.05 C ATOM 1751 C CYS B 93 41.938 13.249 34.001 1.00 24.47 C ATOM 1752 O CYS B 93 41.998 14.463 34.196 1.00 25.27 O ATOM 1753 CB CYS B 93 43.915 12.985 32.534 1.00 24.84 C ATOM 1754 SG CYS B 93 42.879 12.997 31.079 1.00 23.84 S ATOM 1755 H CYS B 93 42.588 10.548 32.929 1.00 0.00 H ATOM 1756 N GLY B 94 40.779 12.610 33.918 1.00 23.65 N ATOM 1757 CA GLY B 94 39.498 13.289 34.128 1.00 23.51 C ATOM 1758 C GLY B 94 38.869 13.959 32.920 1.00 23.33 C ATOM 1759 O GLY B 94 37.780 14.504 33.039 1.00 23.51 O ATOM 1760 H GLY B 94 40.779 11.594 33.697 1.00 0.00 H ATOM 1761 N SER B 95 39.522 13.899 31.752 1.00 22.73 N ATOM 1762 CA SER B 95 38.953 14.489 30.525 1.00 22.74 C ATOM 1763 C SER B 95 37.580 13.894 30.219 1.00 22.17 C ATOM 1764 O SER B 95 37.418 12.683 30.326 1.00 20.81 O ATOM 1765 CB SER B 95 39.915 14.265 29.344 1.00 23.54 C ATOM 1766 OG SER B 95 39.377 14.820 28.138 1.00 24.41 O ATOM 1767 HG SER B 95 39.238 15.793 28.257 1.00 0.00 H ATOM 1768 H SER B 95 40.448 13.427 31.709 1.00 0.00 H ATOM 1769 N HIS B 96 36.608 14.714 29.841 1.00 21.52 N ATOM 1770 CA HIS B 96 35.284 14.177 29.493 1.00 21.38 C ATOM 1771 C HIS B 96 35.349 13.580 28.097 1.00 20.18 C ATOM 1772 O HIS B 96 35.442 14.307 27.130 1.00 21.29 O ATOM 1773 CB HIS B 96 34.185 15.228 29.583 1.00 22.55 C ATOM 1774 CG HIS B 96 32.841 14.725 29.149 1.00 23.92 C ATOM 1775 ND1 HIS B 96 31.870 15.538 28.605 1.00 25.16 N ATOM 1776 CD2 HIS B 96 32.319 13.476 29.135 1.00 23.83 C ATOM 1777 CE1 HIS B 96 30.795 14.821 28.310 1.00 25.54 C ATOM 1778 NE2 HIS B 96 31.046 13.562 28.604 1.00 23.73 N ATOM 1779 H HIS B 96 36.783 15.738 29.791 1.00 0.00 H ATOM 1780 N LEU B 97 35.340 12.252 28.004 1.00 18.81 N ATOM 1781 CA LEU B 97 35.530 11.566 26.728 1.00 17.83 C ATOM 1782 C LEU B 97 34.240 11.122 26.068 1.00 17.22 C ATOM 1783 O LEU B 97 34.250 10.848 24.903 1.00 17.23 O ATOM 1784 CB LEU B 97 36.464 10.377 26.910 1.00 18.25 C ATOM 1785 CG LEU B 97 37.909 10.739 27.303 1.00 18.78 C ATOM 1786 CD1 LEU B 97 38.812 9.536 27.293 1.00 19.20 C ATOM 1787 CD2 LEU B 97 38.507 11.816 26.426 1.00 19.48 C ATOM 1788 H LEU B 97 35.194 11.687 28.864 1.00 0.00 H ATOM 1789 N GLY B 98 33.146 11.035 26.787 1.00 17.01 N ATOM 1790 CA GLY B 98 31.863 10.701 26.196 1.00 16.67 C ATOM 1791 C GLY B 98 30.870 10.171 27.198 1.00 16.01 C ATOM 1792 O GLY B 98 30.743 10.730 28.290 1.00 16.12 O ATOM 1793 H GLY B 98 33.200 11.211 27.811 1.00 0.00 H ATOM 1794 N TRP B 99 30.182 9.105 26.807 1.00 15.37 N ATOM 1795 CA TRP B 99 29.102 8.533 27.601 1.00 15.63 C ATOM 1796 C TRP B 99 29.046 7.048 27.403 1.00 15.09 C ATOM 1797 O TRP B 99 29.401 6.541 26.343 1.00 15.06 O ATOM 1798 CB TRP B 99 27.730 9.116 27.167 1.00 16.10 C ATOM 1799 CG TRP B 99 27.666 10.625 27.265 1.00 16.81 C ATOM 1800 CD1 TRP B 99 27.211 11.338 28.282 1.00 17.54 C ATOM 1801 CD2 TRP B 99 28.132 11.560 26.283 1.00 17.21 C ATOM 1802 NE1 TRP B 99 27.373 12.698 28.038 1.00 18.28 N ATOM 1803 CE2 TRP B 99 27.924 12.861 26.813 1.00 18.13 C ATOM 1804 CE3 TRP B 99 28.689 11.436 25.000 1.00 17.69 C ATOM 1805 CZ2 TRP B 99 28.239 14.016 26.095 1.00 18.61 C ATOM 1806 CZ3 TRP B 99 29.034 12.621 24.314 1.00 18.11 C ATOM 1807 CH2 TRP B 99 28.799 13.858 24.867 1.00 18.32 C ATOM 1808 HE1 TRP B 99 27.113 13.465 28.691 1.00 0.00 H ATOM 1809 H TRP B 99 30.423 8.661 25.898 1.00 0.00 H ATOM 1810 N HIS B 100 28.566 6.342 28.425 1.00 15.27 N ATOM 1811 CA HIS B 100 28.271 4.930 28.337 1.00 15.57 C ATOM 1812 C HIS B 100 26.785 4.734 28.296 1.00 15.82 C ATOM 1813 O HIS B 100 26.080 5.426 29.020 1.00 16.60 O ATOM 1814 CB HIS B 100 28.833 4.190 29.550 1.00 16.36 C ATOM 1815 CG HIS B 100 28.740 2.710 29.430 1.00 17.36 C ATOM 1816 ND1 HIS B 100 28.138 1.882 30.350 1.00 19.83 N ATOM 1817 CD2 HIS B 100 29.194 1.908 28.437 1.00 18.40 C ATOM 1818 CE1 HIS B 100 28.244 0.629 29.925 1.00 19.59 C ATOM 1819 NE2 HIS B 100 28.892 0.622 28.772 1.00 19.78 N ATOM 1820 H HIS B 100 28.396 6.829 29.328 1.00 0.00 H ATOM 1821 N TYR B 101 26.337 3.817 27.437 1.00 15.42 N ATOM 1822 CA TYR B 101 24.917 3.544 27.216 1.00 16.21 C ATOM 1823 C TYR B 101 24.643 2.147 27.717 1.00 17.92 C ATOM 1824 O TYR B 101 25.432 1.237 27.505 1.00 17.97 O ATOM 1825 CB TYR B 101 24.585 3.685 25.727 1.00 15.96 C ATOM 1826 CG TYR B 101 24.632 5.129 25.288 1.00 15.76 C ATOM 1827 CD1 TYR B 101 23.549 5.972 25.490 1.00 16.07 C ATOM 1828 CD2 TYR B 101 25.825 5.693 24.785 1.00 15.75 C ATOM 1829 CE1 TYR B 101 23.641 7.326 25.155 1.00 16.03 C ATOM 1830 CE2 TYR B 101 25.912 7.046 24.513 1.00 15.29 C ATOM 1831 CZ TYR B 101 24.837 7.853 24.678 1.00 16.17 C ATOM 1832 OH TYR B 101 24.869 9.183 24.335 1.00 17.05 O ATOM 1833 HH TYR B 101 23.990 9.595 24.532 1.00 0.00 H ATOM 1834 H TYR B 101 27.034 3.267 26.896 1.00 0.00 H ATOM 1835 N GLU B 102 23.484 1.975 28.361 1.00 19.88 N ATOM 1836 CA GLU B 102 23.091 0.681 28.911 1.00 22.10 C ATOM 1837 C GLU B 102 21.574 0.570 28.883 1.00 22.82 C ATOM 1838 O GLU B 102 20.877 1.532 28.660 1.00 20.80 O ATOM 1839 CB GLU B 102 23.593 0.521 30.345 1.00 24.66 C ATOM 1840 CG GLU B 102 23.020 1.522 31.327 1.00 27.48 C ATOM 1841 CD GLU B 102 23.570 1.353 32.723 1.00 30.86 C ATOM 1842 OE1 GLU B 102 24.788 1.585 32.937 1.00 35.04 O ATOM 1843 OE2 GLU B 102 22.753 1.003 33.604 1.00 35.46 O ATOM 1844 H GLU B 102 22.844 2.787 28.473 1.00 0.00 H ATOM 1845 N GLY B 103 21.104 -0.623 29.201 1.00 25.15 N ATOM 1846 CA GLY B 103 19.670 -0.861 29.354 1.00 25.85 C ATOM 1847 C GLY B 103 18.935 -1.149 28.071 1.00 27.43 C ATOM 1848 O GLY B 103 17.704 -1.305 28.098 1.00 28.51 O ATOM 1849 H GLY B 103 21.769 -1.410 29.346 1.00 0.00 H ATOM 1850 N GLY B 104 19.655 -1.309 26.963 1.00 27.74 N ATOM 1851 CA GLY B 104 19.028 -1.665 25.685 1.00 29.09 C ATOM 1852 C GLY B 104 19.150 -3.132 25.348 1.00 30.84 C ATOM 1853 O GLY B 104 19.339 -3.968 26.227 1.00 30.67 O ATOM 1854 H GLY B 104 20.686 -1.179 27.004 1.00 0.00 H ATOM 1855 N SER B 105 19.055 -3.436 24.056 1.00 32.61 N ATOM 1856 CA SER B 105 19.244 -4.791 23.535 1.00 34.81 C ATOM 1857 C SER B 105 20.042 -4.751 22.243 1.00 33.90 C ATOM 1858 O SER B 105 19.872 -3.842 21.434 1.00 34.67 O ATOM 1859 CB SER B 105 17.897 -5.466 23.282 1.00 36.96 C ATOM 1860 OG SER B 105 17.101 -4.673 22.426 1.00 39.73 O ATOM 1861 HG SER B 105 17.568 -4.551 21.562 1.00 0.00 H ATOM 1862 H SER B 105 18.836 -2.674 23.383 1.00 0.00 H ATOM 1863 N GLN B 106 20.938 -5.729 22.083 1.00 33.62 N ATOM 1864 CA GLN B 106 21.704 -5.939 20.852 1.00 34.23 C ATOM 1865 C GLN B 106 22.358 -4.644 20.303 1.00 32.02 C ATOM 1866 O GLN B 106 21.993 -4.171 19.231 1.00 32.19 O ATOM 1867 CB GLN B 106 20.798 -6.602 19.793 1.00 36.93 C ATOM 1868 CG GLN B 106 20.425 -8.059 20.080 1.00 39.35 C ATOM 1869 CD GLN B 106 18.931 -8.332 19.985 1.00 42.24 C ATOM 1870 OE1 GLN B 106 18.163 -7.663 20.659 1.00 45.95 O ATOM 1871 NE2 GLN B 106 18.521 -9.321 19.184 1.00 42.46 N ATOM 1872 HE22 GLN B 106 19.215 -9.862 18.629 1.00 0.00 H ATOM 1873 HE21 GLN B 106 17.509 -9.549 19.116 1.00 0.00 H ATOM 1874 H GLN B 106 21.101 -6.379 22.878 1.00 0.00 H ATOM 1875 N PRO B 107 23.320 -4.071 21.025 1.00 28.59 N ATOM 1876 CA PRO B 107 23.862 -4.598 22.279 1.00 27.75 C ATOM 1877 C PRO B 107 23.170 -4.057 23.509 1.00 26.46 C ATOM 1878 O PRO B 107 22.442 -3.069 23.434 1.00 27.46 O ATOM 1879 CB PRO B 107 25.291 -4.092 22.243 1.00 26.73 C ATOM 1880 CG PRO B 107 25.180 -2.747 21.590 1.00 26.38 C ATOM 1881 CD PRO B 107 24.092 -2.899 20.548 1.00 27.23 C ATOM 1882 N GLN B 108 23.400 -4.691 24.646 1.00 25.73 N ATOM 1883 CA GLN B 108 22.852 -4.165 25.892 1.00 25.65 C ATOM 1884 C GLN B 108 23.529 -2.868 26.276 1.00 24.07 C ATOM 1885 O GLN B 108 22.882 -1.993 26.841 1.00 23.47 O ATOM 1886 CB GLN B 108 22.985 -5.175 27.033 1.00 27.70 C ATOM 1887 CG GLN B 108 21.991 -6.327 26.880 1.00 30.61 C ATOM 1888 CD GLN B 108 21.984 -7.282 28.037 1.00 33.27 C ATOM 1889 OE1 GLN B 108 22.206 -6.911 29.202 1.00 36.47 O ATOM 1890 NE2 GLN B 108 21.742 -8.527 27.726 1.00 36.59 N ATOM 1891 HE22 GLN B 108 21.562 -8.790 26.736 1.00 0.00 H ATOM 1892 HE21 GLN B 108 21.730 -9.255 28.468 1.00 0.00 H ATOM 1893 H GLN B 108 23.969 -5.561 24.652 1.00 0.00 H ATOM 1894 N THR B 109 24.830 -2.777 25.971 1.00 22.54 N ATOM 1895 CA THR B 109 25.656 -1.624 26.351 1.00 21.56 C ATOM 1896 C THR B 109 26.631 -1.270 25.237 1.00 20.21 C ATOM 1897 O THR B 109 26.985 -2.116 24.422 1.00 20.96 O ATOM 1898 CB THR B 109 26.487 -1.900 27.622 1.00 21.65 C ATOM 1899 OG1 THR B 109 27.493 -2.873 27.343 1.00 21.95 O ATOM 1900 CG2 THR B 109 25.609 -2.428 28.772 1.00 22.51 C ATOM 1901 HG1 THR B 109 27.064 -3.713 27.044 1.00 0.00 H ATOM 1902 H THR B 109 25.274 -3.555 25.443 1.00 0.00 H ATOM 1903 N PHE B 110 27.036 -0.006 25.200 1.00 18.01 N ATOM 1904 CA PHE B 110 28.072 0.482 24.275 1.00 17.00 C ATOM 1905 C PHE B 110 28.488 1.896 24.732 1.00 16.18 C ATOM 1906 O PHE B 110 27.925 2.450 25.656 1.00 16.43 O ATOM 1907 CB PHE B 110 27.561 0.493 22.815 1.00 17.46 C ATOM 1908 CG PHE B 110 26.505 1.531 22.546 1.00 17.66 C ATOM 1909 CD1 PHE B 110 25.168 1.291 22.816 1.00 17.98 C ATOM 1910 CD2 PHE B 110 26.862 2.765 22.016 1.00 17.47 C ATOM 1911 CE1 PHE B 110 24.228 2.288 22.562 1.00 18.48 C ATOM 1912 CE2 PHE B 110 25.937 3.723 21.768 1.00 17.57 C ATOM 1913 CZ PHE B 110 24.629 3.512 22.040 1.00 17.97 C ATOM 1914 H PHE B 110 26.600 0.672 25.857 1.00 0.00 H ATOM 1915 N PHE B 111 29.521 2.442 24.114 1.00 15.06 N ATOM 1916 CA PHE B 111 30.003 3.778 24.403 1.00 14.46 C ATOM 1917 C PHE B 111 29.794 4.706 23.228 1.00 14.28 C ATOM 1918 O PHE B 111 30.007 4.312 22.092 1.00 15.52 O ATOM 1919 CB PHE B 111 31.532 3.703 24.692 1.00 14.56 C ATOM 1920 CG PHE B 111 31.859 3.071 26.000 1.00 14.99 C ATOM 1921 CD1 PHE B 111 31.960 1.703 26.107 1.00 15.71 C ATOM 1922 CD2 PHE B 111 32.033 3.837 27.133 1.00 15.41 C ATOM 1923 CE1 PHE B 111 32.242 1.083 27.318 1.00 16.12 C ATOM 1924 CE2 PHE B 111 32.329 3.245 28.368 1.00 16.44 C ATOM 1925 CZ PHE B 111 32.405 1.863 28.446 1.00 16.04 C ATOM 1926 H PHE B 111 30.012 1.886 23.385 1.00 0.00 H ATOM 1927 N GLY B 112 29.525 5.963 23.517 1.00 14.11 N ATOM 1928 CA GLY B 112 29.617 7.025 22.511 1.00 14.62 C ATOM 1929 C GLY B 112 30.712 7.957 22.965 1.00 14.49 C ATOM 1930 O GLY B 112 30.583 8.624 23.995 1.00 14.83 O ATOM 1931 H GLY B 112 29.239 6.209 24.486 1.00 0.00 H ATOM 1932 N LEU B 113 31.810 7.984 22.219 1.00 15.05 N ATOM 1933 CA LEU B 113 32.986 8.750 22.628 1.00 15.23 C ATOM 1934 C LEU B 113 33.185 9.931 21.695 1.00 15.44 C ATOM 1935 O LEU B 113 32.920 9.829 20.511 1.00 15.58 O ATOM 1936 CB LEU B 113 34.235 7.875 22.637 1.00 15.80 C ATOM 1937 CG LEU B 113 34.139 6.644 23.546 1.00 16.18 C ATOM 1938 CD1 LEU B 113 35.467 5.870 23.500 1.00 16.78 C ATOM 1939 CD2 LEU B 113 33.819 7.049 24.965 1.00 16.46 C ATOM 1940 H LEU B 113 31.834 7.450 21.327 1.00 0.00 H ATOM 1941 N ILE B 114 33.670 11.031 22.234 1.00 15.43 N ATOM 1942 CA ILE B 114 33.835 12.279 21.504 1.00 15.96 C ATOM 1943 C ILE B 114 35.103 12.190 20.689 1.00 16.07 C ATOM 1944 O ILE B 114 36.205 12.176 21.244 1.00 16.07 O ATOM 1945 CB ILE B 114 33.855 13.492 22.440 1.00 16.54 C ATOM 1946 CG1 ILE B 114 32.540 13.542 23.254 1.00 16.74 C ATOM 1947 CG2 ILE B 114 34.042 14.791 21.648 1.00 17.55 C ATOM 1948 CD1 ILE B 114 32.644 14.386 24.489 1.00 17.20 C ATOM 1949 H ILE B 114 33.950 11.006 23.235 1.00 0.00 H ATOM 1950 N LYS B 115 34.940 12.117 19.361 1.00 16.48 N ATOM 1951 CA LYS B 115 36.057 11.805 18.473 1.00 17.62 C ATOM 1952 C LYS B 115 37.221 12.749 18.648 1.00 18.24 C ATOM 1953 O LYS B 115 38.370 12.306 18.719 1.00 18.93 O ATOM 1954 CB LYS B 115 35.575 11.801 17.020 1.00 18.17 C ATOM 1955 CG LYS B 115 36.650 11.635 15.931 1.00 18.88 C ATOM 1956 CD LYS B 115 37.419 10.348 16.008 1.00 19.06 C ATOM 1957 CE LYS B 115 38.312 10.107 14.800 1.00 20.42 C ATOM 1958 NZ LYS B 115 39.335 11.135 14.585 1.00 21.00 N ATOM 1959 HZ1 LYS B 115 38.874 12.056 14.442 1.00 0.00 H ATOM 1960 HZ2 LYS B 115 39.957 11.183 15.417 1.00 0.00 H ATOM 1961 HZ3 LYS B 115 39.897 10.893 13.744 1.00 0.00 H ATOM 1962 H LYS B 115 33.998 12.286 18.954 1.00 0.00 H ATOM 1963 N ASP B 116 36.948 14.043 18.754 1.00 18.45 N ATOM 1964 CA ASP B 116 37.959 15.092 18.905 1.00 19.51 C ATOM 1965 C ASP B 116 38.777 15.042 20.183 1.00 19.76 C ATOM 1966 O ASP B 116 39.799 15.739 20.309 1.00 20.49 O ATOM 1967 CB ASP B 116 37.274 16.479 18.930 1.00 20.20 C ATOM 1968 CG ASP B 116 36.748 16.922 17.588 1.00 20.67 C ATOM 1969 OD1 ASP B 116 37.202 16.466 16.530 1.00 21.11 O ATOM 1970 OD2 ASP B 116 35.861 17.794 17.591 1.00 21.28 O ATOM 1971 H ASP B 116 35.949 14.332 18.728 1.00 0.00 H ATOM 1972 N ARG B 117 38.292 14.276 21.172 1.00 18.88 N ATOM 1973 CA ARG B 117 38.975 14.142 22.449 1.00 20.09 C ATOM 1974 C ARG B 117 39.805 12.878 22.551 1.00 18.41 C ATOM 1975 O ARG B 117 40.373 12.590 23.594 1.00 18.72 O ATOM 1976 CB ARG B 117 37.938 14.247 23.559 1.00 21.36 C ATOM 1977 CG ARG B 117 37.243 15.605 23.517 1.00 24.49 C ATOM 1978 CD ARG B 117 36.303 15.858 24.612 1.00 27.02 C ATOM 1979 NE ARG B 117 35.463 17.028 24.341 1.00 29.85 N ATOM 1980 CZ ARG B 117 34.589 17.529 25.207 1.00 31.99 C ATOM 1981 NH1 ARG B 117 34.458 16.998 26.414 1.00 31.58 N ATOM 1982 NH2 ARG B 117 33.844 18.583 24.851 1.00 33.71 N ATOM 1983 HE ARG B 117 35.557 17.494 23.416 1.00 0.00 H ATOM 1984 HH12 ARG B 117 33.771 17.397 27.086 1.00 0.00 H ATOM 1985 HH11 ARG B 117 35.042 16.183 26.690 1.00 0.00 H ATOM 1986 HH22 ARG B 117 33.156 18.984 25.521 1.00 0.00 H ATOM 1987 HH21 ARG B 117 33.953 19.001 23.905 1.00 0.00 H ATOM 1988 H ARG B 117 37.400 13.762 21.021 1.00 0.00 H ATOM 1989 N LEU B 118 39.884 12.136 21.454 1.00 17.28 N ATOM 1990 CA LEU B 118 40.683 10.916 21.347 1.00 17.68 C ATOM 1991 C LEU B 118 41.798 11.145 20.316 1.00 17.69 C ATOM 1992 O LEU B 118 41.649 11.979 19.407 1.00 18.40 O ATOM 1993 CB LEU B 118 39.831 9.740 20.886 1.00 17.89 C ATOM 1994 CG LEU B 118 38.604 9.404 21.728 1.00 17.78 C ATOM 1995 CD1 LEU B 118 37.777 8.359 20.986 1.00 18.39 C ATOM 1996 CD2 LEU B 118 39.076 8.940 23.094 1.00 18.46 C ATOM 1997 H LEU B 118 39.344 12.441 20.619 1.00 0.00 H ATOM 1998 N ALA B 119 42.854 10.378 20.431 1.00 17.80 N ATOM 1999 CA ALA B 119 43.932 10.384 19.438 1.00 18.84 C ATOM 2000 C ALA B 119 44.079 8.969 18.959 1.00 18.96 C ATOM 2001 O ALA B 119 44.242 8.076 19.787 1.00 20.42 O ATOM 2002 CB ALA B 119 45.246 10.869 20.067 1.00 19.56 C ATOM 2003 H ALA B 119 42.930 9.745 21.253 1.00 0.00 H ATOM 2004 N GLU B 120 44.053 8.738 17.647 1.00 19.12 N ATOM 2005 CA GLU B 120 44.192 7.405 17.069 1.00 20.32 C ATOM 2006 C GLU B 120 45.644 7.113 16.688 1.00 20.98 C ATOM 2007 O GLU B 120 46.325 7.999 16.188 1.00 20.10 O ATOM 2008 CB GLU B 120 43.330 7.277 15.828 1.00 21.21 C ATOM 2009 CG GLU B 120 43.221 5.845 15.321 1.00 22.69 C ATOM 2010 CD GLU B 120 42.194 5.661 14.220 1.00 23.65 C ATOM 2011 OE1 GLU B 120 41.740 6.643 13.673 1.00 26.13 O ATOM 2012 OE2 GLU B 120 41.862 4.523 13.881 1.00 27.17 O ATOM 2013 H GLU B 120 43.928 9.546 17.004 1.00 0.00 H ATOM 2014 N GLY B 121 46.100 5.893 16.943 1.00 22.14 N ATOM 2015 CA GLY B 121 47.508 5.582 16.693 1.00 24.93 C ATOM 2016 C GLY B 121 47.763 4.092 16.774 1.00 27.37 C ATOM 2017 O GLY B 121 46.893 3.317 17.138 1.00 25.80 O ATOM 2018 H GLY B 121 45.461 5.163 17.318 1.00 0.00 H ATOM 2019 N PRO B 122 48.987 3.678 16.465 1.00 29.89 N ATOM 2020 CA PRO B 122 49.353 2.264 16.573 1.00 31.77 C ATOM 2021 C PRO B 122 49.357 1.754 18.020 1.00 33.49 C ATOM 2022 O PRO B 122 49.593 2.520 18.959 1.00 32.52 O ATOM 2023 CB PRO B 122 50.764 2.215 15.966 1.00 32.69 C ATOM 2024 CG PRO B 122 51.291 3.601 16.101 1.00 32.96 C ATOM 2025 CD PRO B 122 50.112 4.531 16.037 1.00 31.41 C ATOM 2026 N ALA B 123 49.016 0.484 18.170 1.00 36.74 N ATOM 2027 CA ALA B 123 48.959 -0.164 19.481 1.00 39.22 C ATOM 2028 C ALA B 123 50.368 -0.376 20.028 1.00 42.11 C ATOM 2029 O ALA B 123 51.305 -0.540 19.242 1.00 44.95 O ATOM 2030 CB ALA B 123 48.239 -1.504 19.366 1.00 40.92 C ATOM 2031 H ALA B 123 48.780 -0.074 17.325 1.00 0.00 H TER 2032 ALA B 123 ATOM 2033 N PRO C 17 20.127 10.473 -14.309 1.00 65.35 N ATOM 2034 CA PRO C 17 21.085 11.256 -15.111 1.00 65.01 C ATOM 2035 C PRO C 17 22.466 11.468 -14.473 1.00 62.70 C ATOM 2036 O PRO C 17 23.412 11.753 -15.194 1.00 65.42 O ATOM 2037 CB PRO C 17 20.364 12.598 -15.314 1.00 67.15 C ATOM 2038 CG PRO C 17 19.455 12.714 -14.131 1.00 68.18 C ATOM 2039 CD PRO C 17 19.059 11.314 -13.737 1.00 67.01 C ATOM 2040 HN2 PRO C 17 20.640 10.009 -13.532 1.00 0.00 H ATOM 2041 HN1 PRO C 17 19.694 9.749 -14.917 1.00 0.00 H ATOM 2042 N GLY C 18 22.569 11.369 -13.149 1.00 59.68 N ATOM 2043 CA GLY C 18 23.858 11.344 -12.462 1.00 56.96 C ATOM 2044 C GLY C 18 24.025 10.033 -11.733 1.00 54.08 C ATOM 2045 O GLY C 18 24.587 10.021 -10.661 1.00 53.88 O ATOM 2046 H GLY C 18 21.699 11.307 -12.583 1.00 0.00 H ATOM 2047 N ALA C 19 23.514 8.933 -12.289 1.00 50.28 N ATOM 2048 CA ALA C 19 23.706 7.590 -11.734 1.00 47.57 C ATOM 2049 C ALA C 19 24.415 6.736 -12.780 1.00 44.57 C ATOM 2050 O ALA C 19 23.892 5.798 -13.296 1.00 45.93 O ATOM 2051 CB ALA C 19 22.372 6.987 -11.332 1.00 48.48 C ATOM 2052 H ALA C 19 22.952 9.033 -13.158 1.00 0.00 H ATOM 2053 N SER C 20 25.641 7.114 -13.091 1.00 41.46 N ATOM 2054 CA SER C 20 26.358 6.645 -14.264 1.00 38.87 C ATOM 2055 C SER C 20 27.643 5.864 -13.980 1.00 35.53 C ATOM 2056 O SER C 20 27.921 4.895 -14.671 1.00 32.38 O ATOM 2057 CB SER C 20 26.666 7.855 -15.117 1.00 41.50 C ATOM 2058 OG SER C 20 27.277 7.491 -16.326 1.00 43.34 O ATOM 2059 HG SER C 20 28.125 7.017 -16.136 1.00 0.00 H ATOM 2060 H SER C 20 26.121 7.787 -12.460 1.00 0.00 H ATOM 2061 N ILE C 21 28.404 6.289 -12.989 1.00 32.34 N ATOM 2062 CA ILE C 21 29.545 5.533 -12.470 1.00 30.82 C ATOM 2063 C ILE C 21 29.240 5.093 -11.033 1.00 28.73 C ATOM 2064 O ILE C 21 28.544 5.815 -10.266 1.00 27.74 O ATOM 2065 CB ILE C 21 30.837 6.364 -12.461 1.00 32.17 C ATOM 2066 CG1 ILE C 21 31.256 6.821 -13.855 1.00 33.76 C ATOM 2067 CG2 ILE C 21 31.969 5.599 -11.736 1.00 32.05 C ATOM 2068 CD1 ILE C 21 31.203 5.733 -14.872 1.00 34.05 C ATOM 2069 H ILE C 21 28.182 7.208 -12.555 1.00 0.00 H ATOM 2070 N PHE C 22 29.663 3.861 -10.738 1.00 27.39 N ATOM 2071 CA PHE C 22 29.482 3.273 -9.425 1.00 26.92 C ATOM 2072 C PHE C 22 30.834 3.115 -8.795 1.00 27.30 C ATOM 2073 O PHE C 22 31.753 2.527 -9.405 1.00 25.15 O ATOM 2074 CB PHE C 22 28.776 1.895 -9.531 1.00 26.75 C ATOM 2075 CG PHE C 22 27.385 1.998 -10.099 1.00 27.86 C ATOM 2076 CD1 PHE C 22 27.215 2.010 -11.504 1.00 28.56 C ATOM 2077 CD2 PHE C 22 26.283 2.309 -9.284 1.00 29.32 C ATOM 2078 CE1 PHE C 22 25.964 2.220 -12.046 1.00 29.45 C ATOM 2079 CE2 PHE C 22 25.051 2.518 -9.852 1.00 30.59 C ATOM 2080 CZ PHE C 22 24.892 2.465 -11.220 1.00 29.97 C ATOM 2081 H PHE C 22 30.139 3.304 -11.476 1.00 0.00 H ATOM 2082 N ARG C 23 30.940 3.578 -7.538 1.00 28.09 N ATOM 2083 CA ARG C 23 32.237 3.671 -6.806 1.00 28.92 C ATOM 2084 C ARG C 23 32.088 3.068 -5.395 1.00 27.63 C ATOM 2085 O ARG C 23 31.009 3.051 -4.854 1.00 28.25 O ATOM 2086 CB ARG C 23 32.731 5.133 -6.572 1.00 32.47 C ATOM 2087 CG ARG C 23 32.411 6.110 -7.676 1.00 35.61 C ATOM 2088 CD ARG C 23 33.082 7.456 -7.529 1.00 37.58 C ATOM 2089 NE ARG C 23 33.416 7.862 -8.897 1.00 39.71 N ATOM 2090 CZ ARG C 23 34.497 7.454 -9.549 1.00 41.11 C ATOM 2091 NH1 ARG C 23 35.470 6.732 -8.921 1.00 40.75 N ATOM 2092 NH2 ARG C 23 34.592 7.857 -10.822 1.00 43.34 N ATOM 2093 HE ARG C 23 32.766 8.510 -9.387 1.00 0.00 H ATOM 2094 HH12 ARG C 23 36.310 6.421 -9.450 1.00 0.00 H ATOM 2095 HH11 ARG C 23 35.371 6.492 -7.914 1.00 0.00 H ATOM 2096 HH22 ARG C 23 35.412 7.576 -11.396 1.00 0.00 H ATOM 2097 HH21 ARG C 23 33.846 8.451 -11.237 1.00 0.00 H ATOM 2098 H ARG C 23 30.075 3.887 -7.051 1.00 0.00 H ATOM 2099 N CYS C 24 33.180 2.612 -4.807 1.00 25.56 N ATOM 2100 CA CYS C 24 33.170 2.195 -3.431 1.00 25.75 C ATOM 2101 C CYS C 24 32.779 3.366 -2.510 1.00 27.21 C ATOM 2102 O CYS C 24 33.332 4.429 -2.595 1.00 26.09 O ATOM 2103 CB CYS C 24 34.530 1.648 -3.035 1.00 24.32 C ATOM 2104 SG CYS C 24 34.680 1.244 -1.283 1.00 24.62 S ATOM 2105 H CYS C 24 34.065 2.554 -5.351 1.00 0.00 H ATOM 2106 N ARG C 25 31.800 3.148 -1.665 1.00 29.93 N ATOM 2107 CA ARG C 25 31.321 4.150 -0.712 1.00 33.03 C ATOM 2108 C ARG C 25 32.374 4.590 0.288 1.00 32.96 C ATOM 2109 O ARG C 25 32.355 5.756 0.727 1.00 33.97 O ATOM 2110 CB ARG C 25 30.138 3.591 0.074 1.00 35.53 C ATOM 2111 CG ARG C 25 29.624 4.452 1.193 1.00 38.34 C ATOM 2112 CD ARG C 25 28.412 3.845 1.761 1.00 40.04 C ATOM 2113 NE ARG C 25 28.233 4.222 3.155 1.00 43.31 N ATOM 2114 CZ ARG C 25 27.134 3.955 3.850 1.00 45.71 C ATOM 2115 NH1 ARG C 25 26.089 3.327 3.287 1.00 45.26 N ATOM 2116 NH2 ARG C 25 27.060 4.302 5.117 1.00 48.49 N ATOM 2117 HE ARG C 25 29.007 4.727 3.632 1.00 0.00 H ATOM 2118 HH12 ARG C 25 25.237 3.128 3.850 1.00 0.00 H ATOM 2119 HH11 ARG C 25 26.131 3.040 2.288 1.00 0.00 H ATOM 2120 HH22 ARG C 25 26.200 4.094 5.664 1.00 0.00 H ATOM 2121 HH21 ARG C 25 27.861 4.784 5.572 1.00 0.00 H ATOM 2122 H ARG C 25 31.340 2.215 -1.673 1.00 0.00 H ATOM 2123 N GLN C 26 33.262 3.679 0.670 1.00 32.12 N ATOM 2124 CA GLN C 26 34.250 3.958 1.727 1.00 33.20 C ATOM 2125 C GLN C 26 35.457 4.731 1.248 1.00 32.61 C ATOM 2126 O GLN C 26 35.984 5.570 1.984 1.00 32.81 O ATOM 2127 CB GLN C 26 34.695 2.648 2.380 1.00 34.88 C ATOM 2128 CG GLN C 26 33.546 1.933 3.052 1.00 37.86 C ATOM 2129 CD GLN C 26 32.899 2.768 4.139 1.00 40.13 C ATOM 2130 OE1 GLN C 26 33.592 3.423 4.921 1.00 42.80 O ATOM 2131 NE2 GLN C 26 31.562 2.759 4.192 1.00 42.08 N ATOM 2132 HE22 GLN C 26 31.018 2.191 3.511 1.00 0.00 H ATOM 2133 HE21 GLN C 26 31.066 3.320 4.914 1.00 0.00 H ATOM 2134 H GLN C 26 33.260 2.745 0.212 1.00 0.00 H ATOM 2135 N CYS C 27 35.901 4.475 0.006 1.00 28.59 N ATOM 2136 CA CYS C 27 37.131 5.109 -0.467 1.00 27.87 C ATOM 2137 C CYS C 27 37.049 5.717 -1.871 1.00 27.45 C ATOM 2138 O CYS C 27 37.976 6.382 -2.293 1.00 30.51 O ATOM 2139 CB CYS C 27 38.257 4.080 -0.412 1.00 25.47 C ATOM 2140 SG CYS C 27 38.128 2.864 -1.736 1.00 23.26 S ATOM 2141 H CYS C 27 35.373 3.830 -0.615 1.00 0.00 H ATOM 2142 N GLY C 28 35.971 5.483 -2.591 1.00 27.01 N ATOM 2143 CA GLY C 28 35.792 6.043 -3.910 1.00 26.99 C ATOM 2144 C GLY C 28 36.360 5.304 -5.099 1.00 25.21 C ATOM 2145 O GLY C 28 36.232 5.782 -6.227 1.00 25.36 O ATOM 2146 H GLY C 28 35.225 4.875 -2.197 1.00 0.00 H ATOM 2147 N GLN C 29 36.975 4.152 -4.867 1.00 24.34 N ATOM 2148 CA GLN C 29 37.461 3.309 -5.968 1.00 23.33 C ATOM 2149 C GLN C 29 36.402 3.112 -7.045 1.00 23.35 C ATOM 2150 O GLN C 29 35.284 2.742 -6.737 1.00 23.71 O ATOM 2151 CB GLN C 29 37.848 1.934 -5.425 1.00 22.92 C ATOM 2152 CG GLN C 29 38.215 0.854 -6.448 1.00 23.21 C ATOM 2153 CD GLN C 29 39.665 0.819 -6.780 1.00 24.43 C ATOM 2154 OE1 GLN C 29 40.239 1.855 -7.024 1.00 26.38 O ATOM 2155 NE2 GLN C 29 40.283 -0.358 -6.761 1.00 25.45 N ATOM 2156 HE22 GLN C 29 39.747 -1.223 -6.546 1.00 0.00 H ATOM 2157 HE21 GLN C 29 41.302 -0.414 -6.961 1.00 0.00 H ATOM 2158 H GLN C 29 37.116 3.839 -3.885 1.00 0.00 H ATOM 2159 N THR C 30 36.774 3.327 -8.294 1.00 24.00 N ATOM 2160 CA THR C 30 35.848 3.111 -9.411 1.00 24.10 C ATOM 2161 C THR C 30 35.599 1.639 -9.557 1.00 23.30 C ATOM 2162 O THR C 30 36.552 0.859 -9.592 1.00 22.09 O ATOM 2163 CB THR C 30 36.432 3.641 -10.739 1.00 26.31 C ATOM 2164 OG1 THR C 30 36.864 4.992 -10.561 1.00 29.84 O ATOM 2165 CG2 THR C 30 35.382 3.586 -11.823 1.00 27.59 C ATOM 2166 HG1 THR C 30 37.238 5.332 -11.412 1.00 0.00 H ATOM 2167 H THR C 30 37.741 3.655 -8.489 1.00 0.00 H ATOM 2168 N ILE C 31 34.325 1.235 -9.626 1.00 22.81 N ATOM 2169 CA ILE C 31 33.993 -0.202 -9.715 1.00 22.96 C ATOM 2170 C ILE C 31 33.278 -0.558 -11.016 1.00 23.72 C ATOM 2171 O ILE C 31 33.675 -1.539 -11.687 1.00 23.62 O ATOM 2172 CB ILE C 31 33.151 -0.697 -8.527 1.00 23.00 C ATOM 2173 CG1 ILE C 31 33.833 -0.395 -7.175 1.00 23.91 C ATOM 2174 CG2 ILE C 31 32.845 -2.191 -8.670 1.00 23.37 C ATOM 2175 CD1 ILE C 31 35.167 -1.106 -6.960 1.00 23.17 C ATOM 2176 H ILE C 31 33.561 1.940 -9.617 1.00 0.00 H ATOM 2177 N SER C 32 32.192 0.156 -11.348 1.00 23.80 N ATOM 2178 CA SER C 32 31.485 -0.193 -12.573 1.00 25.01 C ATOM 2179 C SER C 32 30.713 0.999 -13.142 1.00 26.31 C ATOM 2180 O SER C 32 30.858 2.148 -12.700 1.00 25.69 O ATOM 2181 CB SER C 32 30.598 -1.428 -12.374 1.00 25.51 C ATOM 2182 OG SER C 32 30.254 -1.967 -13.646 1.00 25.65 O ATOM 2183 HG SER C 32 31.079 -2.224 -14.128 1.00 0.00 H ATOM 2184 H SER C 32 31.863 0.938 -10.747 1.00 0.00 H ATOM 2185 N ARG C 33 29.946 0.703 -14.201 1.00 28.13 N ATOM 2186 CA ARG C 33 29.332 1.726 -15.035 1.00 31.57 C ATOM 2187 C ARG C 33 27.930 1.266 -15.405 1.00 30.60 C ATOM 2188 O ARG C 33 27.674 0.097 -15.598 1.00 27.32 O ATOM 2189 CB ARG C 33 30.103 1.820 -16.347 1.00 35.19 C ATOM 2190 CG ARG C 33 31.605 1.983 -16.299 1.00 38.82 C ATOM 2191 CD ARG C 33 32.145 2.100 -17.743 1.00 42.35 C ATOM 2192 NE ARG C 33 31.757 3.308 -18.491 1.00 46.30 N ATOM 2193 CZ ARG C 33 31.660 3.402 -19.828 1.00 49.24 C ATOM 2194 NH1 ARG C 33 31.301 4.564 -20.370 1.00 52.05 N ATOM 2195 NH2 ARG C 33 31.880 2.356 -20.633 1.00 50.71 N ATOM 2196 HE ARG C 33 31.540 4.161 -17.937 1.00 0.00 H ATOM 2197 HH12 ARG C 33 31.221 4.653 -21.403 1.00 0.00 H ATOM 2198 HH11 ARG C 33 31.100 5.382 -19.760 1.00 0.00 H ATOM 2199 HH22 ARG C 33 31.796 2.466 -21.664 1.00 0.00 H ATOM 2200 HH21 ARG C 33 32.135 1.433 -20.228 1.00 0.00 H ATOM 2201 H ARG C 33 29.783 -0.297 -14.436 1.00 0.00 H ATOM 2202 N ARG C 34 27.037 2.232 -15.551 1.00 32.30 N ATOM 2203 CA ARG C 34 25.664 1.955 -15.950 1.00 34.97 C ATOM 2204 C ARG C 34 25.616 1.304 -17.321 1.00 34.47 C ATOM 2205 O ARG C 34 24.729 0.504 -17.557 1.00 33.71 O ATOM 2206 CB ARG C 34 24.805 3.227 -15.923 1.00 37.93 C ATOM 2207 CG ARG C 34 23.333 2.922 -16.223 1.00 40.44 C ATOM 2208 CD ARG C 34 22.327 4.000 -15.893 1.00 43.89 C ATOM 2209 NE ARG C 34 22.169 4.189 -14.451 1.00 45.37 N ATOM 2210 CZ ARG C 34 21.297 3.565 -13.654 1.00 47.78 C ATOM 2211 NH1 ARG C 34 20.420 2.660 -14.101 1.00 49.94 N ATOM 2212 NH2 ARG C 34 21.283 3.875 -12.361 1.00 48.16 N ATOM 2213 HE ARG C 34 22.801 4.881 -14.000 1.00 0.00 H ATOM 2214 HH12 ARG C 34 19.762 2.202 -13.439 1.00 0.00 H ATOM 2215 HH11 ARG C 34 20.396 2.414 -15.111 1.00 0.00 H ATOM 2216 HH22 ARG C 34 20.613 3.403 -11.720 1.00 0.00 H ATOM 2217 HH21 ARG C 34 21.942 4.589 -11.990 1.00 0.00 H ATOM 2218 H ARG C 34 27.324 3.216 -15.376 1.00 0.00 H ATOM 2219 N ASP C 35 26.555 1.587 -18.217 1.00 36.29 N ATOM 2220 CA ASP C 35 26.611 0.884 -19.529 1.00 37.80 C ATOM 2221 C ASP C 35 26.691 -0.648 -19.373 1.00 35.88 C ATOM 2222 O ASP C 35 26.281 -1.386 -20.258 1.00 35.03 O ATOM 2223 CB ASP C 35 27.792 1.337 -20.383 1.00 42.05 C ATOM 2224 CG ASP C 35 27.610 2.703 -20.988 1.00 46.22 C ATOM 2225 OD1 ASP C 35 26.504 3.293 -20.902 1.00 51.48 O ATOM 2226 OD2 ASP C 35 28.599 3.188 -21.586 1.00 49.52 O ATOM 2227 H ASP C 35 27.266 2.314 -17.998 1.00 0.00 H ATOM 2228 N TRP C 36 27.240 -1.096 -18.246 1.00 33.64 N ATOM 2229 CA TRP C 36 27.462 -2.526 -17.982 1.00 33.25 C ATOM 2230 C TRP C 36 26.395 -3.136 -17.083 1.00 33.13 C ATOM 2231 O TRP C 36 26.445 -4.305 -16.728 1.00 31.32 O ATOM 2232 CB TRP C 36 28.854 -2.744 -17.341 1.00 34.16 C ATOM 2233 CG TRP C 36 30.000 -2.235 -18.162 1.00 35.47 C ATOM 2234 CD1 TRP C 36 30.012 -2.047 -19.518 1.00 37.09 C ATOM 2235 CD2 TRP C 36 31.291 -1.821 -17.704 1.00 36.68 C ATOM 2236 NE1 TRP C 36 31.212 -1.549 -19.926 1.00 37.90 N ATOM 2237 CE2 TRP C 36 32.030 -1.426 -18.839 1.00 37.82 C ATOM 2238 CE3 TRP C 36 31.934 -1.860 -16.470 1.00 38.05 C ATOM 2239 CZ2 TRP C 36 33.359 -1.002 -18.761 1.00 38.91 C ATOM 2240 CZ3 TRP C 36 33.278 -1.486 -16.398 1.00 38.32 C ATOM 2241 CH2 TRP C 36 33.962 -1.039 -17.533 1.00 38.54 C ATOM 2242 HE1 TRP C 36 31.464 -1.303 -20.904 1.00 0.00 H ATOM 2243 H TRP C 36 27.524 -0.406 -17.522 1.00 0.00 H ATOM 2244 N LEU C 37 25.416 -2.338 -16.683 1.00 32.68 N ATOM 2245 CA LEU C 37 24.461 -2.732 -15.654 1.00 35.14 C ATOM 2246 C LEU C 37 23.565 -3.641 -16.436 1.00 36.06 C ATOM 2247 O LEU C 37 23.378 -3.432 -17.632 1.00 37.79 O ATOM 2248 CB LEU C 37 23.713 -1.491 -15.113 1.00 36.28 C ATOM 2249 CG LEU C 37 22.733 -1.453 -13.929 1.00 37.57 C ATOM 2250 CD1 LEU C 37 23.089 -2.414 -12.811 1.00 36.82 C ATOM 2251 CD2 LEU C 37 22.663 -0.034 -13.377 1.00 39.31 C ATOM 2252 H LEU C 37 25.325 -1.398 -17.118 1.00 0.00 H ATOM 2253 N LEU C 38 22.961 -4.615 -15.747 1.00 35.35 N ATOM 2254 CA LEU C 38 22.066 -5.569 -16.361 1.00 37.47 C ATOM 2255 C LEU C 38 20.652 -5.455 -15.779 1.00 37.58 C ATOM 2256 O LEU C 38 20.447 -5.758 -14.612 1.00 37.16 O ATOM 2257 CB LEU C 38 22.603 -6.962 -16.163 1.00 37.90 C ATOM 2258 CG LEU C 38 23.996 -7.239 -16.737 1.00 38.24 C ATOM 2259 CD1 LEU C 38 24.430 -8.663 -16.402 1.00 39.35 C ATOM 2260 CD2 LEU C 38 24.061 -7.007 -18.237 1.00 38.82 C ATOM 2261 H LEU C 38 23.143 -4.689 -14.726 1.00 0.00 H ATOM 2262 N PRO C 39 19.680 -4.992 -16.591 1.00 39.66 N ATOM 2263 CA PRO C 39 18.343 -4.841 -16.065 1.00 41.06 C ATOM 2264 C PRO C 39 17.584 -6.172 -16.108 1.00 41.22 C ATOM 2265 O PRO C 39 17.799 -6.937 -17.049 1.00 41.68 O ATOM 2266 CB PRO C 39 17.708 -3.836 -17.028 1.00 41.66 C ATOM 2267 CG PRO C 39 18.366 -4.126 -18.328 1.00 41.38 C ATOM 2268 CD PRO C 39 19.750 -4.618 -18.017 1.00 40.73 C ATOM 2269 N MET C 40 16.802 -6.490 -15.083 1.00 42.21 N ATOM 2270 CA MET C 40 15.726 -7.469 -15.232 1.00 40.77 C ATOM 2271 C MET C 40 14.448 -6.687 -15.338 1.00 39.67 C ATOM 2272 O MET C 40 14.047 -6.060 -14.414 1.00 38.50 O ATOM 2273 CB MET C 40 15.658 -8.437 -14.054 1.00 43.34 C ATOM 2274 CG MET C 40 14.877 -9.715 -14.254 1.00 44.79 C ATOM 2275 SD MET C 40 14.786 -10.632 -12.699 1.00 49.03 S ATOM 2276 CE MET C 40 16.379 -11.467 -12.669 1.00 47.85 C ATOM 2277 H MET C 40 16.957 -6.036 -14.160 1.00 0.00 H ATOM 2278 N GLY C 41 13.758 -6.851 -16.478 1.00 37.88 N ATOM 2279 CA GLY C 41 12.522 -6.115 -16.765 1.00 38.26 C ATOM 2280 C GLY C 41 12.678 -4.604 -16.597 1.00 39.65 C ATOM 2281 O GLY C 41 13.545 -3.951 -17.220 1.00 37.52 O ATOM 2282 H GLY C 41 14.114 -7.526 -17.185 1.00 0.00 H ATOM 2283 N GLY C 42 11.879 -4.052 -15.694 1.00 40.55 N ATOM 2284 CA GLY C 42 11.900 -2.600 -15.406 1.00 42.66 C ATOM 2285 C GLY C 42 12.841 -2.160 -14.291 1.00 44.19 C ATOM 2286 O GLY C 42 12.998 -0.980 -14.027 1.00 45.51 O ATOM 2287 H GLY C 42 11.216 -4.659 -15.171 1.00 0.00 H ATOM 2288 N ASP C 43 13.511 -3.129 -13.643 1.00 44.74 N ATOM 2289 CA ASP C 43 14.304 -2.861 -12.449 1.00 45.63 C ATOM 2290 C ASP C 43 15.784 -3.026 -12.734 1.00 46.13 C ATOM 2291 O ASP C 43 16.228 -4.081 -13.154 1.00 47.72 O ATOM 2292 CB ASP C 43 13.996 -3.874 -11.341 1.00 45.59 C ATOM 2293 CG ASP C 43 12.551 -3.941 -10.951 1.00 46.49 C ATOM 2294 OD1 ASP C 43 11.846 -2.915 -11.039 1.00 47.46 O ATOM 2295 OD2 ASP C 43 12.143 -5.047 -10.503 1.00 47.14 O ATOM 2296 H ASP C 43 13.462 -4.103 -14.006 1.00 0.00 H ATOM 2297 N HIS C 44 16.553 -1.968 -12.504 1.00 45.64 N ATOM 2298 CA HIS C 44 18.003 -2.102 -12.530 1.00 44.50 C ATOM 2299 C HIS C 44 18.518 -2.797 -11.261 1.00 44.13 C ATOM 2300 O HIS C 44 19.574 -3.415 -11.271 1.00 44.47 O ATOM 2301 CB HIS C 44 18.672 -0.726 -12.700 1.00 45.78 C ATOM 2302 H HIS C 44 16.120 -1.044 -12.305 1.00 0.00 H ATOM 2303 N GLU C 45 17.776 -2.703 -10.154 1.00 44.06 N ATOM 2304 CA GLU C 45 18.270 -3.110 -8.825 1.00 44.64 C ATOM 2305 C GLU C 45 17.357 -4.211 -8.412 1.00 43.83 C ATOM 2306 O GLU C 45 16.156 -4.089 -8.624 1.00 43.58 O ATOM 2307 CB GLU C 45 18.259 -1.943 -7.783 1.00 46.82 C ATOM 2308 CG GLU C 45 17.674 -0.636 -8.205 1.00 49.76 C ATOM 2309 CD GLU C 45 17.988 0.450 -7.187 1.00 51.17 C ATOM 2310 OE1 GLU C 45 17.498 0.402 -6.012 1.00 54.37 O ATOM 2311 OE2 GLU C 45 18.723 1.386 -7.556 1.00 52.71 O ATOM 2312 H GLU C 45 16.809 -2.327 -10.233 1.00 0.00 H ATOM 2313 N HIS C 46 17.860 -5.201 -7.670 1.00 43.36 N ATOM 2314 CA HIS C 46 17.081 -6.381 -7.282 1.00 44.75 C ATOM 2315 C HIS C 46 17.180 -6.571 -5.773 1.00 44.83 C ATOM 2316 O HIS C 46 18.300 -6.657 -5.250 1.00 43.19 O ATOM 2317 CB HIS C 46 17.498 -7.658 -7.985 1.00 45.50 C ATOM 2318 CG HIS C 46 17.911 -7.488 -9.407 1.00 45.89 C ATOM 2319 ND1 HIS C 46 17.064 -7.706 -10.473 1.00 47.73 N ATOM 2320 CD2 HIS C 46 19.088 -7.074 -9.930 1.00 46.17 C ATOM 2321 CE1 HIS C 46 17.719 -7.457 -11.594 1.00 47.41 C ATOM 2322 NE2 HIS C 46 18.944 -7.070 -11.294 1.00 46.60 N ATOM 2323 H HIS C 46 18.848 -5.132 -7.353 1.00 0.00 H ATOM 2324 N VAL C 47 16.012 -6.680 -5.146 1.00 45.26 N ATOM 2325 CA VAL C 47 15.870 -6.706 -3.712 1.00 46.36 C ATOM 2326 C VAL C 47 15.957 -8.158 -3.237 1.00 46.45 C ATOM 2327 O VAL C 47 15.208 -9.022 -3.705 1.00 47.13 O ATOM 2328 CB VAL C 47 14.499 -6.090 -3.306 1.00 48.26 C ATOM 2329 CG1 VAL C 47 14.272 -6.151 -1.793 1.00 49.68 C ATOM 2330 CG2 VAL C 47 14.403 -4.654 -3.805 1.00 48.90 C ATOM 2331 H VAL C 47 15.151 -6.751 -5.725 1.00 0.00 H ATOM 2332 N VAL C 48 16.873 -8.387 -2.305 1.00 45.77 N ATOM 2333 CA VAL C 48 17.181 -9.721 -1.805 1.00 46.88 C ATOM 2334 C VAL C 48 17.383 -9.663 -0.302 1.00 49.21 C ATOM 2335 O VAL C 48 17.553 -8.574 0.270 1.00 47.88 O ATOM 2336 CB VAL C 48 18.463 -10.295 -2.462 1.00 45.60 C ATOM 2337 CG1 VAL C 48 18.225 -10.514 -3.944 1.00 44.32 C ATOM 2338 CG2 VAL C 48 19.644 -9.378 -2.279 1.00 44.85 C ATOM 2339 H VAL C 48 17.395 -7.577 -1.913 1.00 0.00 H ATOM 2340 N PHE C 49 17.374 -10.826 0.357 1.00 53.49 N ATOM 2341 CA PHE C 49 17.802 -10.869 1.744 1.00 55.48 C ATOM 2342 C PHE C 49 18.788 -11.990 1.987 1.00 55.73 C ATOM 2343 O PHE C 49 18.691 -13.044 1.369 1.00 54.63 O ATOM 2344 CB PHE C 49 16.576 -10.954 2.660 1.00 59.57 C ATOM 2345 CG PHE C 49 15.319 -10.439 2.028 1.00 61.48 C ATOM 2346 CD1 PHE C 49 14.533 -11.258 1.214 1.00 62.59 C ATOM 2347 CD2 PHE C 49 14.956 -9.119 2.188 1.00 63.71 C ATOM 2348 CE1 PHE C 49 13.391 -10.767 0.605 1.00 63.85 C ATOM 2349 CE2 PHE C 49 13.801 -8.624 1.600 1.00 64.60 C ATOM 2350 CZ PHE C 49 13.015 -9.446 0.805 1.00 64.61 C ATOM 2351 H PHE C 49 17.062 -11.695 -0.121 1.00 0.00 H ATOM 2352 N ASN C 50 19.750 -11.741 2.856 1.00 56.70 N ATOM 2353 CA ASN C 50 20.664 -12.822 3.269 1.00 57.10 C ATOM 2354 C ASN C 50 19.926 -13.822 4.174 1.00 59.42 C ATOM 2355 O ASN C 50 18.736 -13.636 4.475 1.00 59.17 O ATOM 2356 CB ASN C 50 21.936 -12.246 3.851 1.00 56.50 C ATOM 2357 CG ASN C 50 21.752 -11.565 5.212 1.00 57.98 C ATOM 2358 OD1 ASN C 50 20.696 -11.655 5.858 1.00 58.92 O ATOM 2359 ND2 ASN C 50 22.802 -10.881 5.644 1.00 57.13 N ATOM 2360 HD22 ASN C 50 23.666 -10.835 5.067 1.00 0.00 H ATOM 2361 HD21 ASN C 50 22.762 -10.391 6.560 1.00 0.00 H ATOM 2362 H ASN C 50 19.863 -10.785 3.248 1.00 0.00 H ATOM 2363 N PRO C 51 20.599 -14.899 4.607 1.00 62.23 N ATOM 2364 CA PRO C 51 19.905 -15.861 5.469 1.00 64.10 C ATOM 2365 C PRO C 51 19.430 -15.300 6.810 1.00 65.75 C ATOM 2366 O PRO C 51 18.500 -15.853 7.390 1.00 67.35 O ATOM 2367 CB PRO C 51 20.961 -16.941 5.666 1.00 65.34 C ATOM 2368 CG PRO C 51 21.755 -16.891 4.407 1.00 63.97 C ATOM 2369 CD PRO C 51 21.897 -15.429 4.151 1.00 62.31 C ATOM 2370 N ALA C 52 20.058 -14.219 7.276 1.00 64.84 N ATOM 2371 CA ALA C 52 19.637 -13.532 8.485 1.00 66.71 C ATOM 2372 C ALA C 52 18.460 -12.589 8.249 1.00 67.64 C ATOM 2373 O ALA C 52 18.002 -11.947 9.189 1.00 70.26 O ATOM 2374 CB ALA C 52 20.808 -12.773 9.087 1.00 66.72 C ATOM 2375 H ALA C 52 20.880 -13.854 6.754 1.00 0.00 H ATOM 2376 N GLY C 53 17.975 -12.503 7.010 1.00 65.77 N ATOM 2377 CA GLY C 53 16.841 -11.658 6.664 1.00 66.28 C ATOM 2378 C GLY C 53 17.168 -10.189 6.443 1.00 65.57 C ATOM 2379 O GLY C 53 16.254 -9.377 6.257 1.00 66.42 O ATOM 2380 H GLY C 53 18.426 -13.063 6.259 1.00 0.00 H ATOM 2381 N MET C 54 18.457 -9.837 6.438 1.00 64.55 N ATOM 2382 CA MET C 54 18.864 -8.450 6.164 1.00 63.91 C ATOM 2383 C MET C 54 18.696 -8.168 4.670 1.00 62.83 C ATOM 2384 O MET C 54 19.117 -8.994 3.844 1.00 60.89 O ATOM 2385 CB MET C 54 20.314 -8.211 6.558 1.00 62.55 C ATOM 2386 H MET C 54 19.184 -10.555 6.631 1.00 0.00 H ATOM 2387 N ILE C 55 18.071 -7.048 4.344 1.00 63.64 N ATOM 2388 CA ILE C 55 17.680 -6.701 2.983 1.00 62.58 C ATOM 2389 C ILE C 55 18.768 -5.893 2.276 1.00 59.99 C ATOM 2390 O ILE C 55 19.373 -5.005 2.873 1.00 59.19 O ATOM 2391 CB ILE C 55 16.357 -5.881 2.966 1.00 64.99 C ATOM 2392 CG1 ILE C 55 15.830 -5.713 1.511 1.00 64.81 C ATOM 2393 CG2 ILE C 55 16.536 -4.530 3.677 1.00 65.93 C ATOM 2394 CD1 ILE C 55 16.049 -4.374 0.777 1.00 64.44 C ATOM 2395 H ILE C 55 17.845 -6.375 5.104 1.00 0.00 H ATOM 2396 N PHE C 56 19.006 -6.228 1.012 1.00 57.33 N ATOM 2397 CA PHE C 56 19.932 -5.492 0.172 1.00 54.41 C ATOM 2398 C PHE C 56 19.279 -5.211 -1.168 1.00 50.13 C ATOM 2399 O PHE C 56 18.525 -6.029 -1.695 1.00 49.25 O ATOM 2400 CB PHE C 56 21.190 -6.302 -0.136 1.00 55.12 C ATOM 2401 CG PHE C 56 21.952 -6.764 1.064 1.00 57.55 C ATOM 2402 CD1 PHE C 56 22.902 -5.946 1.668 1.00 57.82 C ATOM 2403 CD2 PHE C 56 21.766 -8.042 1.550 1.00 59.74 C ATOM 2404 CE1 PHE C 56 23.639 -6.389 2.758 1.00 59.84 C ATOM 2405 CE2 PHE C 56 22.509 -8.505 2.627 1.00 61.93 C ATOM 2406 CZ PHE C 56 23.441 -7.672 3.243 1.00 61.18 C ATOM 2407 H PHE C 56 18.510 -7.049 0.610 1.00 0.00 H ATOM 2408 N ARG C 57 19.645 -4.075 -1.746 1.00 47.60 N ATOM 2409 CA ARG C 57 19.478 -3.819 -3.154 1.00 44.55 C ATOM 2410 C ARG C 57 20.790 -4.196 -3.865 1.00 41.07 C ATOM 2411 O ARG C 57 21.815 -3.576 -3.627 1.00 42.94 O ATOM 2412 CB ARG C 57 19.079 -2.360 -3.376 1.00 45.55 C ATOM 2413 CG ARG C 57 17.556 -2.183 -3.457 1.00 48.52 C ATOM 2414 CD ARG C 57 17.022 -0.867 -2.901 1.00 50.35 C ATOM 2415 NE ARG C 57 15.574 -0.958 -2.669 1.00 53.38 N ATOM 2416 CZ ARG C 57 14.982 -1.214 -1.499 1.00 56.04 C ATOM 2417 NH1 ARG C 57 15.682 -1.396 -0.378 1.00 57.90 N ATOM 2418 NH2 ARG C 57 13.654 -1.269 -1.441 1.00 57.18 N ATOM 2419 HE ARG C 57 14.953 -0.810 -3.490 1.00 0.00 H ATOM 2420 HH12 ARG C 57 15.189 -1.594 0.516 1.00 0.00 H ATOM 2421 HH11 ARG C 57 16.720 -1.340 -0.398 1.00 0.00 H ATOM 2422 HH22 ARG C 57 13.181 -1.467 -0.536 1.00 0.00 H ATOM 2423 HH21 ARG C 57 13.089 -1.114 -2.300 1.00 0.00 H ATOM 2424 H ARG C 57 20.073 -3.334 -1.155 1.00 0.00 H ATOM 2425 N VAL C 58 20.718 -5.230 -4.702 1.00 37.41 N ATOM 2426 CA VAL C 58 21.844 -5.667 -5.516 1.00 35.27 C ATOM 2427 C VAL C 58 21.755 -5.101 -6.924 1.00 33.52 C ATOM 2428 O VAL C 58 20.691 -5.167 -7.538 1.00 31.66 O ATOM 2429 CB VAL C 58 21.933 -7.212 -5.534 1.00 35.72 C ATOM 2430 CG1 VAL C 58 22.983 -7.706 -6.523 1.00 35.07 C ATOM 2431 CG2 VAL C 58 22.368 -7.668 -4.146 1.00 36.12 C ATOM 2432 H VAL C 58 19.819 -5.747 -4.777 1.00 0.00 H ATOM 2433 N TRP C 59 22.861 -4.543 -7.414 1.00 31.71 N ATOM 2434 CA TRP C 59 22.964 -4.150 -8.824 1.00 31.85 C ATOM 2435 C TRP C 59 23.842 -5.154 -9.548 1.00 31.05 C ATOM 2436 O TRP C 59 24.925 -5.467 -9.056 1.00 30.98 O ATOM 2437 CB TRP C 59 23.606 -2.776 -8.945 1.00 32.71 C ATOM 2438 CG TRP C 59 22.743 -1.574 -8.767 1.00 35.05 C ATOM 2439 CD1 TRP C 59 21.572 -1.325 -9.395 1.00 36.66 C ATOM 2440 CD2 TRP C 59 23.094 -0.349 -8.097 1.00 36.86 C ATOM 2441 NE1 TRP C 59 21.082 -0.066 -9.057 1.00 38.54 N ATOM 2442 CE2 TRP C 59 22.029 0.565 -8.299 1.00 38.26 C ATOM 2443 CE3 TRP C 59 24.188 0.050 -7.325 1.00 37.42 C ATOM 2444 CZ2 TRP C 59 22.028 1.839 -7.754 1.00 39.67 C ATOM 2445 CZ3 TRP C 59 24.180 1.309 -6.771 1.00 38.80 C ATOM 2446 CH2 TRP C 59 23.089 2.186 -6.967 1.00 39.18 C ATOM 2447 HE1 TRP C 59 20.159 0.325 -9.333 1.00 0.00 H ATOM 2448 H TRP C 59 23.671 -4.382 -6.782 1.00 0.00 H ATOM 2449 N CYS C 60 23.345 -5.702 -10.657 1.00 30.19 N ATOM 2450 CA CYS C 60 24.105 -6.657 -11.440 1.00 29.38 C ATOM 2451 C CYS C 60 24.800 -5.962 -12.596 1.00 29.14 C ATOM 2452 O CYS C 60 24.174 -5.201 -13.302 1.00 29.40 O ATOM 2453 CB CYS C 60 23.221 -7.783 -11.971 1.00 30.28 C ATOM 2454 SG CYS C 60 22.471 -8.734 -10.632 1.00 32.03 S ATOM 2455 H CYS C 60 22.388 -5.438 -10.968 1.00 0.00 H ATOM 2456 N PHE C 61 26.092 -6.246 -12.764 1.00 27.55 N ATOM 2457 CA PHE C 61 26.912 -5.670 -13.844 1.00 27.93 C ATOM 2458 C PHE C 61 27.651 -6.760 -14.599 1.00 27.54 C ATOM 2459 O PHE C 61 28.149 -7.705 -13.989 1.00 27.45 O ATOM 2460 CB PHE C 61 27.973 -4.725 -13.291 1.00 27.18 C ATOM 2461 CG PHE C 61 27.441 -3.567 -12.508 1.00 27.41 C ATOM 2462 CD1 PHE C 61 27.057 -2.403 -13.142 1.00 27.15 C ATOM 2463 CD2 PHE C 61 27.333 -3.647 -11.136 1.00 27.50 C ATOM 2464 CE1 PHE C 61 26.604 -1.308 -12.412 1.00 28.04 C ATOM 2465 CE2 PHE C 61 26.867 -2.570 -10.395 1.00 27.59 C ATOM 2466 CZ PHE C 61 26.499 -1.398 -11.027 1.00 27.78 C ATOM 2467 H PHE C 61 26.543 -6.907 -12.100 1.00 0.00 H ATOM 2468 N SER C 62 27.744 -6.635 -15.915 1.00 27.13 N ATOM 2469 CA SER C 62 28.463 -7.623 -16.709 1.00 26.86 C ATOM 2470 C SER C 62 29.974 -7.580 -16.474 1.00 27.42 C ATOM 2471 O SER C 62 30.649 -8.609 -16.581 1.00 27.63 O ATOM 2472 CB SER C 62 28.198 -7.387 -18.192 1.00 28.06 C ATOM 2473 OG SER C 62 28.608 -6.079 -18.530 1.00 30.04 O ATOM 2474 HG SER C 62 28.097 -5.425 -17.991 1.00 0.00 H ATOM 2475 H SER C 62 27.299 -5.822 -16.387 1.00 0.00 H ATOM 2476 N LEU C 63 30.474 -6.383 -16.201 1.00 25.74 N ATOM 2477 CA LEU C 63 31.893 -6.136 -16.042 1.00 25.63 C ATOM 2478 C LEU C 63 32.119 -5.249 -14.846 1.00 25.48 C ATOM 2479 O LEU C 63 31.239 -4.474 -14.496 1.00 25.35 O ATOM 2480 CB LEU C 63 32.441 -5.442 -17.276 1.00 25.89 C ATOM 2481 CG LEU C 63 32.404 -6.217 -18.596 1.00 27.00 C ATOM 2482 CD1 LEU C 63 32.661 -5.289 -19.791 1.00 28.16 C ATOM 2483 CD2 LEU C 63 33.415 -7.345 -18.532 1.00 27.81 C ATOM 2484 H LEU C 63 29.817 -5.584 -16.096 1.00 0.00 H ATOM 2485 N ALA C 64 33.284 -5.392 -14.223 1.00 24.51 N ATOM 2486 CA ALA C 64 33.667 -4.466 -13.145 1.00 24.56 C ATOM 2487 C ALA C 64 35.167 -4.348 -13.119 1.00 24.94 C ATOM 2488 O ALA C 64 35.865 -5.150 -13.755 1.00 25.02 O ATOM 2489 CB ALA C 64 33.165 -5.006 -11.833 1.00 25.04 C ATOM 2490 H ALA C 64 33.928 -6.161 -14.498 1.00 0.00 H ATOM 2491 N GLN C 65 35.647 -3.371 -12.364 1.00 24.28 N ATOM 2492 CA GLN C 65 37.080 -3.202 -12.162 1.00 25.52 C ATOM 2493 C GLN C 65 37.327 -2.840 -10.723 1.00 24.11 C ATOM 2494 O GLN C 65 36.393 -2.518 -9.988 1.00 22.12 O ATOM 2495 CB GLN C 65 37.606 -2.086 -13.050 1.00 28.02 C ATOM 2496 CG GLN C 65 36.916 -0.758 -12.822 1.00 29.92 C ATOM 2497 CD GLN C 65 37.442 0.313 -13.737 1.00 33.90 C ATOM 2498 OE1 GLN C 65 38.296 1.100 -13.344 1.00 36.76 O ATOM 2499 NE2 GLN C 65 36.960 0.335 -14.973 1.00 37.87 N ATOM 2500 HE22 GLN C 65 36.236 -0.353 -15.261 1.00 0.00 H ATOM 2501 HE21 GLN C 65 37.307 1.041 -15.654 1.00 0.00 H ATOM 2502 H GLN C 65 34.987 -2.711 -11.906 1.00 0.00 H ATOM 2503 N GLY C 66 38.598 -2.899 -10.335 1.00 23.00 N ATOM 2504 CA GLY C 66 38.977 -2.384 -9.033 1.00 23.45 C ATOM 2505 C GLY C 66 38.610 -3.264 -7.849 1.00 23.72 C ATOM 2506 O GLY C 66 38.742 -2.824 -6.717 1.00 22.80 O ATOM 2507 H GLY C 66 39.317 -3.313 -10.962 1.00 0.00 H ATOM 2508 N LEU C 67 38.161 -4.490 -8.110 1.00 23.45 N ATOM 2509 CA LEU C 67 37.813 -5.417 -7.047 1.00 24.35 C ATOM 2510 C LEU C 67 38.948 -6.391 -6.840 1.00 26.07 C ATOM 2511 O LEU C 67 39.895 -6.446 -7.637 1.00 25.08 O ATOM 2512 CB LEU C 67 36.537 -6.197 -7.409 1.00 25.06 C ATOM 2513 CG LEU C 67 35.288 -5.326 -7.598 1.00 25.24 C ATOM 2514 CD1 LEU C 67 34.234 -6.065 -8.433 1.00 25.88 C ATOM 2515 CD2 LEU C 67 34.747 -4.935 -6.226 1.00 25.35 C ATOM 2516 H LEU C 67 38.057 -4.792 -9.100 1.00 0.00 H ATOM 2517 N ARG C 68 38.852 -7.154 -5.756 1.00 27.58 N ATOM 2518 CA ARG C 68 39.659 -8.342 -5.556 1.00 30.05 C ATOM 2519 C ARG C 68 38.720 -9.477 -5.236 1.00 30.70 C ATOM 2520 O ARG C 68 37.958 -9.369 -4.275 1.00 29.12 O ATOM 2521 CB ARG C 68 40.631 -8.109 -4.400 1.00 33.05 C ATOM 2522 CG ARG C 68 41.629 -9.217 -4.209 1.00 36.85 C ATOM 2523 CD ARG C 68 42.897 -8.678 -3.525 1.00 39.63 C ATOM 2524 NE ARG C 68 42.618 -7.833 -2.353 1.00 41.87 N ATOM 2525 CZ ARG C 68 42.316 -8.285 -1.132 1.00 44.18 C ATOM 2526 NH1 ARG C 68 42.248 -9.594 -0.860 1.00 46.69 N ATOM 2527 NH2 ARG C 68 42.093 -7.419 -0.149 1.00 44.93 N ATOM 2528 HE ARG C 68 42.659 -6.802 -2.485 1.00 0.00 H ATOM 2529 HH12 ARG C 68 42.010 -9.914 0.101 1.00 0.00 H ATOM 2530 HH11 ARG C 68 42.433 -10.291 -1.609 1.00 0.00 H ATOM 2531 HH22 ARG C 68 41.857 -7.763 0.804 1.00 0.00 H ATOM 2532 HH21 ARG C 68 42.154 -6.397 -0.332 1.00 0.00 H ATOM 2533 H ARG C 68 38.168 -6.887 -5.019 1.00 0.00 H ATOM 2534 N LEU C 69 38.737 -10.529 -6.051 1.00 31.54 N ATOM 2535 CA LEU C 69 37.851 -11.677 -5.838 1.00 33.98 C ATOM 2536 C LEU C 69 38.601 -12.686 -5.001 1.00 35.97 C ATOM 2537 O LEU C 69 39.739 -13.037 -5.365 1.00 37.30 O ATOM 2538 CB LEU C 69 37.423 -12.309 -7.160 1.00 34.41 C ATOM 2539 CG LEU C 69 36.858 -11.321 -8.182 1.00 34.03 C ATOM 2540 CD1 LEU C 69 36.351 -12.107 -9.396 1.00 35.31 C ATOM 2541 CD2 LEU C 69 35.736 -10.473 -7.574 1.00 33.35 C ATOM 2542 H LEU C 69 39.394 -10.537 -6.857 1.00 0.00 H ATOM 2543 N ILE C 70 37.996 -13.139 -3.907 1.00 36.78 N ATOM 2544 CA ILE C 70 38.704 -13.988 -2.942 1.00 39.36 C ATOM 2545 C ILE C 70 38.094 -15.380 -2.835 1.00 41.31 C ATOM 2546 O ILE C 70 36.890 -15.499 -2.795 1.00 40.60 O ATOM 2547 CB ILE C 70 38.823 -13.339 -1.540 1.00 40.32 C ATOM 2548 CG1 ILE C 70 37.475 -12.944 -0.980 1.00 41.31 C ATOM 2549 CG2 ILE C 70 39.732 -12.109 -1.624 1.00 40.36 C ATOM 2550 CD1 ILE C 70 37.554 -12.511 0.458 1.00 42.13 C ATOM 2551 H ILE C 70 37.002 -12.887 -3.732 1.00 0.00 H ATOM 2552 N GLY C 71 38.914 -16.418 -2.726 1.00 44.66 N ATOM 2553 CA GLY C 71 38.426 -17.746 -2.325 1.00 47.48 C ATOM 2554 C GLY C 71 37.788 -18.544 -3.440 1.00 49.65 C ATOM 2555 O GLY C 71 37.865 -18.148 -4.601 1.00 50.12 O ATOM 2556 H GLY C 71 39.926 -16.289 -2.929 1.00 0.00 H ATOM 2557 N ALA C 72 37.215 -19.687 -3.080 1.00 52.00 N ATOM 2558 CA ALA C 72 36.642 -20.621 -4.049 1.00 52.76 C ATOM 2559 C ALA C 72 35.137 -20.390 -4.153 1.00 51.92 C ATOM 2560 O ALA C 72 34.540 -19.933 -3.193 1.00 51.91 O ATOM 2561 CB ALA C 72 36.924 -22.057 -3.634 1.00 55.02 C ATOM 2562 H ALA C 72 37.172 -19.927 -2.069 1.00 0.00 H ATOM 2563 N PRO C 73 34.531 -20.695 -5.313 1.00 52.58 N ATOM 2564 CA PRO C 73 33.101 -20.383 -5.482 1.00 51.45 C ATOM 2565 C PRO C 73 32.213 -21.218 -4.584 1.00 51.66 C ATOM 2566 O PRO C 73 32.572 -22.336 -4.242 1.00 51.18 O ATOM 2567 CB PRO C 73 32.839 -20.713 -6.950 1.00 51.93 C ATOM 2568 CG PRO C 73 34.158 -20.657 -7.611 1.00 52.24 C ATOM 2569 CD PRO C 73 35.122 -21.177 -6.572 1.00 53.31 C ATOM 2570 N SER C 74 31.075 -20.658 -4.199 1.00 50.71 N ATOM 2571 CA SER C 74 30.091 -21.347 -3.375 1.00 50.74 C ATOM 2572 C SER C 74 28.703 -21.140 -3.968 1.00 49.43 C ATOM 2573 O SER C 74 28.362 -20.054 -4.422 1.00 47.54 O ATOM 2574 CB SER C 74 30.118 -20.798 -1.956 1.00 51.23 C ATOM 2575 OG SER C 74 29.098 -21.396 -1.167 1.00 52.11 O ATOM 2576 HG SER C 74 29.133 -21.026 -0.249 1.00 0.00 H ATOM 2577 H SER C 74 30.876 -19.682 -4.499 1.00 0.00 H ATOM 2578 N GLY C 75 27.898 -22.203 -3.930 1.00 49.47 N ATOM 2579 CA GLY C 75 26.499 -22.137 -4.301 1.00 48.83 C ATOM 2580 C GLY C 75 25.551 -21.789 -3.157 1.00 48.46 C ATOM 2581 O GLY C 75 24.355 -21.574 -3.403 1.00 47.87 O ATOM 2582 H GLY C 75 28.290 -23.116 -3.622 1.00 0.00 H ATOM 2583 N GLU C 76 26.062 -21.763 -1.922 1.00 48.93 N ATOM 2584 CA GLU C 76 25.250 -21.546 -0.722 1.00 50.06 C ATOM 2585 C GLU C 76 24.468 -20.249 -0.771 1.00 48.60 C ATOM 2586 O GLU C 76 25.054 -19.194 -0.926 1.00 47.41 O ATOM 2587 CB GLU C 76 26.126 -21.505 0.530 1.00 50.87 C ATOM 2588 H GLU C 76 27.086 -21.904 -1.807 1.00 0.00 H ATOM 2589 N PHE C 77 23.148 -20.353 -0.613 1.00 47.96 N ATOM 2590 CA PHE C 77 22.251 -19.198 -0.515 1.00 47.37 C ATOM 2591 C PHE C 77 22.287 -18.286 -1.737 1.00 44.69 C ATOM 2592 O PHE C 77 21.895 -17.126 -1.625 1.00 43.09 O ATOM 2593 CB PHE C 77 22.564 -18.346 0.731 1.00 48.43 C ATOM 2594 CG PHE C 77 22.693 -19.132 1.987 1.00 50.77 C ATOM 2595 CD1 PHE C 77 21.577 -19.694 2.561 1.00 53.02 C ATOM 2596 CD2 PHE C 77 23.922 -19.275 2.615 1.00 51.72 C ATOM 2597 CE1 PHE C 77 21.673 -20.390 3.766 1.00 54.47 C ATOM 2598 CE2 PHE C 77 24.027 -19.987 3.794 1.00 53.63 C ATOM 2599 CZ PHE C 77 22.908 -20.570 4.358 1.00 55.26 C ATOM 2600 H PHE C 77 22.733 -21.305 -0.556 1.00 0.00 H ATOM 2601 N SER C 78 22.714 -18.784 -2.889 1.00 43.39 N ATOM 2602 CA SER C 78 22.865 -17.896 -4.039 1.00 41.78 C ATOM 2603 C SER C 78 21.524 -17.288 -4.406 1.00 41.65 C ATOM 2604 O SER C 78 20.508 -18.002 -4.540 1.00 42.14 O ATOM 2605 CB SER C 78 23.428 -18.627 -5.251 1.00 41.60 C ATOM 2606 OG SER C 78 23.536 -17.734 -6.329 1.00 40.96 O ATOM 2607 HG SER C 78 23.902 -18.211 -7.116 1.00 0.00 H ATOM 2608 H SER C 78 22.939 -19.796 -2.973 1.00 0.00 H ATOM 2609 N TRP C 79 21.524 -15.970 -4.602 1.00 39.90 N ATOM 2610 CA TRP C 79 20.318 -15.276 -5.022 1.00 39.81 C ATOM 2611 C TRP C 79 20.000 -15.486 -6.492 1.00 40.12 C ATOM 2612 O TRP C 79 18.936 -15.058 -6.951 1.00 40.33 O ATOM 2613 CB TRP C 79 20.449 -13.782 -4.734 1.00 39.18 C ATOM 2614 CG TRP C 79 20.500 -13.450 -3.296 1.00 39.77 C ATOM 2615 CD1 TRP C 79 19.671 -13.934 -2.332 1.00 40.30 C ATOM 2616 CD2 TRP C 79 21.378 -12.529 -2.655 1.00 39.33 C ATOM 2617 NE1 TRP C 79 19.988 -13.381 -1.127 1.00 40.64 N ATOM 2618 CE2 TRP C 79 21.023 -12.503 -1.292 1.00 40.35 C ATOM 2619 CE3 TRP C 79 22.398 -11.686 -3.104 1.00 38.33 C ATOM 2620 CZ2 TRP C 79 21.682 -11.715 -0.362 1.00 40.43 C ATOM 2621 CZ3 TRP C 79 23.058 -10.897 -2.177 1.00 38.98 C ATOM 2622 CH2 TRP C 79 22.697 -10.905 -0.808 1.00 39.87 C ATOM 2623 HE1 TRP C 79 19.517 -13.593 -0.225 1.00 0.00 H ATOM 2624 H TRP C 79 22.400 -15.430 -4.452 1.00 0.00 H ATOM 2625 N PHE C 80 20.906 -16.100 -7.249 1.00 39.86 N ATOM 2626 CA PHE C 80 20.740 -16.248 -8.694 1.00 39.63 C ATOM 2627 C PHE C 80 20.901 -17.730 -9.006 1.00 41.24 C ATOM 2628 O PHE C 80 21.993 -18.286 -8.895 1.00 40.17 O ATOM 2629 CB PHE C 80 21.746 -15.371 -9.440 1.00 38.01 C ATOM 2630 CG PHE C 80 21.647 -13.919 -9.073 1.00 37.78 C ATOM 2631 CD1 PHE C 80 20.692 -13.089 -9.665 1.00 37.38 C ATOM 2632 CD2 PHE C 80 22.491 -13.380 -8.095 1.00 37.03 C ATOM 2633 CE1 PHE C 80 20.557 -11.778 -9.263 1.00 37.19 C ATOM 2634 CE2 PHE C 80 22.387 -12.047 -7.738 1.00 36.72 C ATOM 2635 CZ PHE C 80 21.410 -11.254 -8.305 1.00 37.20 C ATOM 2636 H PHE C 80 21.760 -16.487 -6.798 1.00 0.00 H ATOM 2637 N LYS C 81 19.796 -18.369 -9.359 1.00 43.58 N ATOM 2638 CA LYS C 81 19.785 -19.828 -9.461 1.00 46.06 C ATOM 2639 C LYS C 81 20.719 -20.262 -10.579 1.00 45.30 C ATOM 2640 O LYS C 81 20.731 -19.666 -11.648 1.00 44.73 O ATOM 2641 CB LYS C 81 18.369 -20.352 -9.667 1.00 48.72 C ATOM 2642 CG LYS C 81 17.376 -19.915 -8.591 1.00 51.13 C ATOM 2643 CD LYS C 81 17.901 -20.111 -7.174 1.00 52.61 C ATOM 2644 CE LYS C 81 16.851 -19.716 -6.161 1.00 54.05 C ATOM 2645 NZ LYS C 81 16.441 -18.287 -6.301 1.00 53.70 N ATOM 2646 HZ1 LYS C 81 17.270 -17.675 -6.163 1.00 0.00 H ATOM 2647 HZ2 LYS C 81 16.048 -18.132 -7.251 1.00 0.00 H ATOM 2648 HZ3 LYS C 81 15.720 -18.063 -5.586 1.00 0.00 H ATOM 2649 H LYS C 81 18.931 -17.830 -9.565 1.00 0.00 H ATOM 2650 N GLY C 82 21.562 -21.249 -10.279 1.00 47.38 N ATOM 2651 CA GLY C 82 22.529 -21.777 -11.232 1.00 47.68 C ATOM 2652 C GLY C 82 23.880 -21.072 -11.216 1.00 46.69 C ATOM 2653 O GLY C 82 24.757 -21.424 -12.017 1.00 48.11 O ATOM 2654 H GLY C 82 21.528 -21.660 -9.324 1.00 0.00 H ATOM 2655 N TYR C 83 24.038 -20.081 -10.336 1.00 45.43 N ATOM 2656 CA TYR C 83 25.313 -19.389 -10.180 1.00 43.83 C ATOM 2657 C TYR C 83 25.922 -19.641 -8.817 1.00 43.27 C ATOM 2658 O TYR C 83 25.216 -19.662 -7.790 1.00 42.84 O ATOM 2659 CB TYR C 83 25.165 -17.872 -10.365 1.00 43.07 C ATOM 2660 CG TYR C 83 24.765 -17.479 -11.759 1.00 43.65 C ATOM 2661 CD1 TYR C 83 23.433 -17.396 -12.122 1.00 43.97 C ATOM 2662 CD2 TYR C 83 25.731 -17.234 -12.742 1.00 43.36 C ATOM 2663 CE1 TYR C 83 23.058 -17.006 -13.388 1.00 44.55 C ATOM 2664 CE2 TYR C 83 25.365 -16.856 -14.025 1.00 43.45 C ATOM 2665 CZ TYR C 83 24.021 -16.725 -14.338 1.00 43.93 C ATOM 2666 OH TYR C 83 23.588 -16.393 -15.608 1.00 43.97 O ATOM 2667 HH TYR C 83 23.897 -17.080 -16.251 1.00 0.00 H ATOM 2668 H TYR C 83 23.231 -19.794 -9.746 1.00 0.00 H ATOM 2669 N ASP C 84 27.247 -19.796 -8.837 1.00 41.77 N ATOM 2670 CA ASP C 84 28.052 -19.863 -7.637 1.00 41.78 C ATOM 2671 C ASP C 84 28.678 -18.479 -7.490 1.00 39.17 C ATOM 2672 O ASP C 84 28.885 -17.787 -8.483 1.00 37.81 O ATOM 2673 CB ASP C 84 29.136 -20.886 -7.831 1.00 43.87 C ATOM 2674 CG ASP C 84 28.731 -22.278 -7.407 1.00 46.62 C ATOM 2675 OD1 ASP C 84 27.528 -22.645 -7.465 1.00 48.46 O ATOM 2676 OD2 ASP C 84 29.683 -22.999 -7.031 1.00 49.15 O ATOM 2677 H ASP C 84 27.723 -19.872 -9.758 1.00 0.00 H ATOM 2678 N TRP C 85 28.989 -18.104 -6.254 1.00 38.24 N ATOM 2679 CA TRP C 85 29.573 -16.785 -5.974 1.00 36.31 C ATOM 2680 C TRP C 85 30.921 -16.838 -5.277 1.00 35.79 C ATOM 2681 O TRP C 85 31.247 -17.788 -4.575 1.00 36.83 O ATOM 2682 CB TRP C 85 28.603 -15.933 -5.152 1.00 35.70 C ATOM 2683 CG TRP C 85 28.132 -16.579 -3.918 1.00 36.61 C ATOM 2684 CD1 TRP C 85 26.950 -17.292 -3.764 1.00 37.57 C ATOM 2685 CD2 TRP C 85 28.793 -16.607 -2.651 1.00 36.77 C ATOM 2686 NE1 TRP C 85 26.851 -17.744 -2.478 1.00 38.99 N ATOM 2687 CE2 TRP C 85 27.955 -17.344 -1.770 1.00 38.34 C ATOM 2688 CE3 TRP C 85 30.009 -16.104 -2.168 1.00 36.81 C ATOM 2689 CZ2 TRP C 85 28.291 -17.563 -0.435 1.00 40.16 C ATOM 2690 CZ3 TRP C 85 30.337 -16.346 -0.834 1.00 38.05 C ATOM 2691 CH2 TRP C 85 29.483 -17.065 0.011 1.00 39.48 C ATOM 2692 HE1 TRP C 85 26.062 -18.304 -2.096 1.00 0.00 H ATOM 2693 H TRP C 85 28.815 -18.760 -5.466 1.00 0.00 H ATOM 2694 N THR C 86 31.678 -15.763 -5.461 1.00 34.22 N ATOM 2695 CA THR C 86 32.936 -15.514 -4.775 1.00 34.42 C ATOM 2696 C THR C 86 32.876 -14.083 -4.269 1.00 32.33 C ATOM 2697 O THR C 86 32.325 -13.213 -4.934 1.00 30.11 O ATOM 2698 CB THR C 86 34.095 -15.639 -5.800 1.00 36.97 C ATOM 2699 OG1 THR C 86 34.089 -16.976 -6.346 1.00 40.60 O ATOM 2700 CG2 THR C 86 35.499 -15.190 -5.334 1.00 37.96 C ATOM 2701 HG1 THR C 86 33.223 -17.144 -6.795 1.00 0.00 H ATOM 2702 H THR C 86 31.349 -15.050 -6.143 1.00 0.00 H ATOM 2703 N ILE C 87 33.410 -13.869 -3.087 1.00 31.22 N ATOM 2704 CA ILE C 87 33.383 -12.552 -2.453 1.00 31.30 C ATOM 2705 C ILE C 87 34.210 -11.568 -3.267 1.00 29.16 C ATOM 2706 O ILE C 87 35.322 -11.893 -3.697 1.00 29.06 O ATOM 2707 CB ILE C 87 33.885 -12.640 -0.993 1.00 32.80 C ATOM 2708 CG1 ILE C 87 32.823 -13.341 -0.154 1.00 35.05 C ATOM 2709 CG2 ILE C 87 34.196 -11.272 -0.401 1.00 32.46 C ATOM 2710 CD1 ILE C 87 31.680 -12.491 0.325 1.00 36.67 C ATOM 2711 H ILE C 87 33.865 -14.660 -2.588 1.00 0.00 H ATOM 2712 N ALA C 88 33.641 -10.377 -3.470 1.00 27.46 N ATOM 2713 CA ALA C 88 34.313 -9.285 -4.165 1.00 26.45 C ATOM 2714 C ALA C 88 34.572 -8.162 -3.157 1.00 26.07 C ATOM 2715 O ALA C 88 33.612 -7.577 -2.613 1.00 26.53 O ATOM 2716 CB ALA C 88 33.457 -8.791 -5.317 1.00 26.36 C ATOM 2717 H ALA C 88 32.675 -10.221 -3.117 1.00 0.00 H ATOM 2718 N LEU C 89 35.853 -7.884 -2.908 1.00 24.98 N ATOM 2719 CA LEU C 89 36.247 -6.771 -2.072 1.00 24.89 C ATOM 2720 C LEU C 89 36.713 -5.620 -2.929 1.00 23.59 C ATOM 2721 O LEU C 89 37.239 -5.822 -4.038 1.00 24.39 O ATOM 2722 CB LEU C 89 37.401 -7.163 -1.152 1.00 26.39 C ATOM 2723 CG LEU C 89 37.230 -8.415 -0.307 1.00 27.76 C ATOM 2724 CD1 LEU C 89 38.459 -8.618 0.561 1.00 28.73 C ATOM 2725 CD2 LEU C 89 35.966 -8.313 0.546 1.00 28.01 C ATOM 2726 H LEU C 89 36.590 -8.486 -3.328 1.00 0.00 H ATOM 2727 N CYS C 90 36.570 -4.423 -2.389 1.00 22.54 N ATOM 2728 CA CYS C 90 37.225 -3.278 -2.988 1.00 21.75 C ATOM 2729 C CYS C 90 38.732 -3.527 -2.967 1.00 21.56 C ATOM 2730 O CYS C 90 39.305 -3.833 -1.932 1.00 22.16 O ATOM 2731 CB CYS C 90 36.911 -2.029 -2.176 1.00 22.08 C ATOM 2732 SG CYS C 90 37.679 -0.544 -2.783 1.00 21.92 S ATOM 2733 H CYS C 90 35.988 -4.303 -1.535 1.00 0.00 H ATOM 2734 N GLY C 91 39.372 -3.392 -4.121 1.00 21.07 N ATOM 2735 CA GLY C 91 40.800 -3.573 -4.191 1.00 21.69 C ATOM 2736 C GLY C 91 41.594 -2.483 -3.499 1.00 21.65 C ATOM 2737 O GLY C 91 42.775 -2.676 -3.203 1.00 22.57 O ATOM 2738 H GLY C 91 38.839 -3.154 -4.982 1.00 0.00 H ATOM 2739 N GLN C 92 40.976 -1.329 -3.292 1.00 20.81 N ATOM 2740 CA GLN C 92 41.657 -0.180 -2.720 1.00 21.55 C ATOM 2741 C GLN C 92 41.595 -0.207 -1.199 1.00 22.32 C ATOM 2742 O GLN C 92 42.631 -0.091 -0.536 1.00 22.62 O ATOM 2743 CB GLN C 92 41.091 1.116 -3.284 1.00 21.21 C ATOM 2744 CG GLN C 92 41.809 2.384 -2.861 1.00 21.17 C ATOM 2745 CD GLN C 92 41.543 3.552 -3.771 1.00 20.51 C ATOM 2746 OE1 GLN C 92 42.315 3.820 -4.689 1.00 20.48 O ATOM 2747 NE2 GLN C 92 40.428 4.226 -3.579 1.00 20.29 N ATOM 2748 HE22 GLN C 92 39.797 3.973 -2.792 1.00 0.00 H ATOM 2749 HE21 GLN C 92 40.179 5.011 -4.214 1.00 0.00 H ATOM 2750 H GLN C 92 39.971 -1.243 -3.547 1.00 0.00 H ATOM 2751 N CYS C 93 40.410 -0.405 -0.637 1.00 22.51 N ATOM 2752 CA CYS C 93 40.253 -0.354 0.842 1.00 23.26 C ATOM 2753 C CYS C 93 39.843 -1.654 1.510 1.00 23.91 C ATOM 2754 O CYS C 93 39.826 -1.706 2.758 1.00 23.55 O ATOM 2755 CB CYS C 93 39.267 0.745 1.248 1.00 23.43 C ATOM 2756 SG CYS C 93 37.533 0.330 0.974 1.00 23.72 S ATOM 2757 H CYS C 93 39.582 -0.598 -1.236 1.00 0.00 H ATOM 2758 N GLY C 94 39.467 -2.675 0.743 1.00 24.38 N ATOM 2759 CA GLY C 94 39.085 -3.965 1.328 1.00 25.64 C ATOM 2760 C GLY C 94 37.613 -4.114 1.706 1.00 25.91 C ATOM 2761 O GLY C 94 37.209 -5.190 2.150 1.00 27.57 O ATOM 2762 H GLY C 94 39.444 -2.556 -0.290 1.00 0.00 H ATOM 2763 N SER C 95 36.813 -3.068 1.521 1.00 25.95 N ATOM 2764 CA SER C 95 35.374 -3.119 1.810 1.00 26.62 C ATOM 2765 C SER C 95 34.698 -4.230 1.018 1.00 27.28 C ATOM 2766 O SER C 95 34.981 -4.436 -0.152 1.00 26.54 O ATOM 2767 CB SER C 95 34.704 -1.783 1.501 1.00 27.70 C ATOM 2768 OG SER C 95 33.297 -1.790 1.719 1.00 28.62 O ATOM 2769 HG SER C 95 32.926 -0.898 1.501 1.00 0.00 H ATOM 2770 H SER C 95 37.221 -2.182 1.159 1.00 0.00 H ATOM 2771 N HIS C 96 33.814 -4.982 1.665 1.00 28.54 N ATOM 2772 CA HIS C 96 33.083 -6.020 0.962 1.00 29.04 C ATOM 2773 C HIS C 96 31.961 -5.382 0.139 1.00 29.15 C ATOM 2774 O HIS C 96 30.984 -4.898 0.690 1.00 29.68 O ATOM 2775 CB HIS C 96 32.540 -7.052 1.948 1.00 31.30 C ATOM 2776 CG HIS C 96 31.695 -8.088 1.296 1.00 32.32 C ATOM 2777 ND1 HIS C 96 30.660 -8.735 1.943 1.00 34.24 N ATOM 2778 CD2 HIS C 96 31.704 -8.553 0.025 1.00 32.52 C ATOM 2779 CE1 HIS C 96 30.069 -9.550 1.087 1.00 34.27 C ATOM 2780 NE2 HIS C 96 30.709 -9.484 -0.071 1.00 33.71 N ATOM 2781 H HIS C 96 33.645 -4.826 2.679 1.00 0.00 H ATOM 2782 N LEU C 97 32.115 -5.368 -1.183 1.00 27.07 N ATOM 2783 CA LEU C 97 31.151 -4.676 -2.050 1.00 27.57 C ATOM 2784 C LEU C 97 30.101 -5.580 -2.683 1.00 27.74 C ATOM 2785 O LEU C 97 29.075 -5.094 -3.192 1.00 30.26 O ATOM 2786 CB LEU C 97 31.882 -3.905 -3.156 1.00 26.39 C ATOM 2787 CG LEU C 97 32.873 -2.848 -2.684 1.00 26.77 C ATOM 2788 CD1 LEU C 97 33.436 -2.177 -3.932 1.00 26.00 C ATOM 2789 CD2 LEU C 97 32.199 -1.869 -1.694 1.00 27.18 C ATOM 2790 H LEU C 97 32.930 -5.854 -1.609 1.00 0.00 H ATOM 2791 N GLY C 98 30.396 -6.872 -2.751 1.00 28.31 N ATOM 2792 CA GLY C 98 29.451 -7.805 -3.310 1.00 27.98 C ATOM 2793 C GLY C 98 30.097 -9.111 -3.675 1.00 28.04 C ATOM 2794 O GLY C 98 30.933 -9.649 -2.916 1.00 27.34 O ATOM 2795 H GLY C 98 31.313 -7.213 -2.399 1.00 0.00 H ATOM 2796 N TRP C 99 29.689 -9.656 -4.822 1.00 28.40 N ATOM 2797 CA TRP C 99 30.120 -10.990 -5.236 1.00 29.35 C ATOM 2798 C TRP C 99 30.298 -11.036 -6.731 1.00 29.29 C ATOM 2799 O TRP C 99 29.675 -10.276 -7.465 1.00 28.78 O ATOM 2800 CB TRP C 99 29.073 -12.036 -4.829 1.00 30.82 C ATOM 2801 CG TRP C 99 28.808 -12.064 -3.343 1.00 32.48 C ATOM 2802 CD1 TRP C 99 29.428 -12.835 -2.399 1.00 33.49 C ATOM 2803 CD2 TRP C 99 27.900 -11.220 -2.628 1.00 33.13 C ATOM 2804 NE1 TRP C 99 28.934 -12.554 -1.167 1.00 34.52 N ATOM 2805 CE2 TRP C 99 27.992 -11.569 -1.272 1.00 34.26 C ATOM 2806 CE3 TRP C 99 26.997 -10.221 -3.011 1.00 33.16 C ATOM 2807 CZ2 TRP C 99 27.216 -10.950 -0.279 1.00 35.10 C ATOM 2808 CZ3 TRP C 99 26.248 -9.604 -2.044 1.00 34.34 C ATOM 2809 CH2 TRP C 99 26.335 -9.993 -0.681 1.00 35.22 C ATOM 2810 HE1 TRP C 99 29.226 -13.015 -0.282 1.00 0.00 H ATOM 2811 H TRP C 99 29.047 -9.118 -5.438 1.00 0.00 H ATOM 2812 N HIS C 100 31.154 -11.947 -7.168 1.00 30.41 N ATOM 2813 CA HIS C 100 31.248 -12.320 -8.563 1.00 31.34 C ATOM 2814 C HIS C 100 30.547 -13.664 -8.706 1.00 32.34 C ATOM 2815 O HIS C 100 30.755 -14.558 -7.901 1.00 32.76 O ATOM 2816 CB HIS C 100 32.704 -12.398 -8.992 1.00 32.22 C ATOM 2817 CG HIS C 100 32.884 -12.759 -10.425 1.00 33.93 C ATOM 2818 ND1 HIS C 100 32.483 -11.952 -11.466 1.00 35.09 N ATOM 2819 CD2 HIS C 100 33.473 -13.836 -10.983 1.00 34.63 C ATOM 2820 CE1 HIS C 100 32.797 -12.534 -12.609 1.00 34.87 C ATOM 2821 NE2 HIS C 100 33.408 -13.673 -12.343 1.00 36.19 N ATOM 2822 H HIS C 100 31.783 -12.412 -6.482 1.00 0.00 H ATOM 2823 N TYR C 101 29.724 -13.768 -9.737 1.00 32.09 N ATOM 2824 CA TYR C 101 28.897 -14.947 -9.994 1.00 34.56 C ATOM 2825 C TYR C 101 29.430 -15.635 -11.237 1.00 37.68 C ATOM 2826 O TYR C 101 29.875 -14.952 -12.189 1.00 37.86 O ATOM 2827 CB TYR C 101 27.443 -14.546 -10.182 1.00 32.40 C ATOM 2828 CG TYR C 101 26.821 -14.122 -8.875 1.00 31.01 C ATOM 2829 CD1 TYR C 101 26.232 -15.053 -8.024 1.00 31.35 C ATOM 2830 CD2 TYR C 101 26.829 -12.801 -8.480 1.00 29.85 C ATOM 2831 CE1 TYR C 101 25.661 -14.671 -6.820 1.00 30.69 C ATOM 2832 CE2 TYR C 101 26.233 -12.390 -7.286 1.00 29.47 C ATOM 2833 CZ TYR C 101 25.661 -13.328 -6.454 1.00 30.61 C ATOM 2834 OH TYR C 101 25.113 -12.922 -5.255 1.00 31.27 O ATOM 2835 HH TYR C 101 24.746 -13.708 -4.778 1.00 0.00 H ATOM 2836 H TYR C 101 29.662 -12.969 -10.400 1.00 0.00 H ATOM 2837 N GLU C 102 29.442 -16.968 -11.187 1.00 42.43 N ATOM 2838 CA GLU C 102 29.968 -17.758 -12.283 1.00 48.12 C ATOM 2839 C GLU C 102 29.237 -19.088 -12.316 1.00 51.45 C ATOM 2840 O GLU C 102 28.491 -19.459 -11.385 1.00 48.63 O ATOM 2841 CB GLU C 102 31.476 -18.003 -12.106 1.00 51.49 C ATOM 2842 CG GLU C 102 31.844 -18.815 -10.872 1.00 55.22 C ATOM 2843 CD GLU C 102 33.232 -18.522 -10.339 1.00 57.98 C ATOM 2844 OE1 GLU C 102 34.206 -18.888 -11.015 1.00 62.33 O ATOM 2845 OE2 GLU C 102 33.329 -17.918 -9.258 1.00 61.23 O ATOM 2846 H GLU C 102 29.067 -17.450 -10.345 1.00 0.00 H ATOM 2847 N GLY C 103 29.517 -19.833 -13.378 1.00 55.77 N ATOM 2848 CA GLY C 103 29.025 -21.190 -13.501 1.00 60.02 C ATOM 2849 C GLY C 103 27.628 -21.299 -14.071 1.00 63.07 C ATOM 2850 O GLY C 103 27.090 -22.414 -14.147 1.00 65.00 O ATOM 2851 H GLY C 103 30.103 -19.434 -14.139 1.00 0.00 H ATOM 2852 N GLY C 104 27.038 -20.177 -14.512 1.00 64.30 N ATOM 2853 CA GLY C 104 25.715 -20.209 -15.123 1.00 66.39 C ATOM 2854 C GLY C 104 25.774 -20.166 -16.645 1.00 69.24 C ATOM 2855 O GLY C 104 26.783 -20.512 -17.257 1.00 70.56 O ATOM 2856 H GLY C 104 27.534 -19.268 -14.416 1.00 0.00 H ATOM 2857 N SER C 105 24.676 -19.713 -17.246 1.00 70.71 N ATOM 2858 CA SER C 105 24.563 -19.520 -18.687 1.00 71.31 C ATOM 2859 C SER C 105 23.815 -18.224 -18.988 1.00 70.41 C ATOM 2860 O SER C 105 22.864 -17.868 -18.282 1.00 72.50 O ATOM 2861 CB SER C 105 23.815 -20.688 -19.316 1.00 72.91 C ATOM 2862 OG SER C 105 22.561 -20.880 -18.695 1.00 74.85 O ATOM 2863 HG SER C 105 22.015 -20.061 -18.797 1.00 0.00 H ATOM 2864 H SER C 105 23.852 -19.484 -16.654 1.00 0.00 H ATOM 2865 N GLN C 106 24.280 -17.512 -20.015 1.00 69.32 N ATOM 2866 CA GLN C 106 23.615 -16.314 -20.542 1.00 67.90 C ATOM 2867 C GLN C 106 23.218 -15.291 -19.447 1.00 65.82 C ATOM 2868 O GLN C 106 22.031 -15.059 -19.214 1.00 65.40 O ATOM 2869 CB GLN C 106 22.400 -16.725 -21.390 1.00 69.41 C ATOM 2870 H GLN C 106 25.163 -17.823 -20.468 1.00 0.00 H ATOM 2871 N PRO C 107 24.189 -14.685 -18.765 1.00 63.93 N ATOM 2872 CA PRO C 107 25.621 -14.848 -19.014 1.00 61.68 C ATOM 2873 C PRO C 107 26.254 -15.940 -18.164 1.00 58.78 C ATOM 2874 O PRO C 107 25.654 -16.403 -17.190 1.00 59.34 O ATOM 2875 CB PRO C 107 26.179 -13.500 -18.587 1.00 61.94 C ATOM 2876 CG PRO C 107 25.313 -13.110 -17.432 1.00 62.31 C ATOM 2877 CD PRO C 107 23.928 -13.620 -17.775 1.00 63.65 C ATOM 2878 N GLN C 108 27.462 -16.347 -18.522 1.00 53.26 N ATOM 2879 CA GLN C 108 28.176 -17.304 -17.696 1.00 52.83 C ATOM 2880 C GLN C 108 28.568 -16.677 -16.365 1.00 48.51 C ATOM 2881 O GLN C 108 28.579 -17.374 -15.337 1.00 47.51 O ATOM 2882 CB GLN C 108 29.416 -17.835 -18.399 1.00 55.18 C ATOM 2883 CG GLN C 108 29.094 -18.807 -19.517 1.00 58.02 C ATOM 2884 CD GLN C 108 30.309 -19.127 -20.377 1.00 59.76 C ATOM 2885 OE1 GLN C 108 31.426 -19.275 -19.875 1.00 62.46 O ATOM 2886 NE2 GLN C 108 30.095 -19.229 -21.682 1.00 61.08 N ATOM 2887 HE22 GLN C 108 29.137 -19.097 -22.064 1.00 0.00 H ATOM 2888 HE21 GLN C 108 30.886 -19.441 -22.324 1.00 0.00 H ATOM 2889 H GLN C 108 27.898 -15.982 -19.393 1.00 0.00 H ATOM 2890 N THR C 109 28.903 -15.378 -16.403 1.00 44.55 N ATOM 2891 CA THR C 109 29.422 -14.663 -15.247 1.00 41.98 C ATOM 2892 C THR C 109 28.871 -13.244 -15.189 1.00 39.72 C ATOM 2893 O THR C 109 28.481 -12.667 -16.216 1.00 40.07 O ATOM 2894 CB THR C 109 30.961 -14.550 -15.293 1.00 42.51 C ATOM 2895 OG1 THR C 109 31.361 -13.661 -16.353 1.00 42.08 O ATOM 2896 CG2 THR C 109 31.629 -15.938 -15.451 1.00 43.92 C ATOM 2897 HG1 THR C 109 30.974 -12.764 -16.194 1.00 0.00 H ATOM 2898 H THR C 109 28.787 -14.860 -17.297 1.00 0.00 H ATOM 2899 N PHE C 110 28.822 -12.692 -13.979 1.00 35.42 N ATOM 2900 CA PHE C 110 28.473 -11.295 -13.754 1.00 32.07 C ATOM 2901 C PHE C 110 28.858 -10.911 -12.328 1.00 30.19 C ATOM 2902 O PHE C 110 29.257 -11.755 -11.535 1.00 29.49 O ATOM 2903 CB PHE C 110 26.972 -11.016 -14.020 1.00 32.21 C ATOM 2904 CG PHE C 110 26.050 -11.665 -13.030 1.00 32.92 C ATOM 2905 CD1 PHE C 110 25.658 -13.005 -13.175 1.00 34.09 C ATOM 2906 CD2 PHE C 110 25.569 -10.940 -11.954 1.00 32.29 C ATOM 2907 CE1 PHE C 110 24.794 -13.611 -12.263 1.00 34.33 C ATOM 2908 CE2 PHE C 110 24.689 -11.532 -11.056 1.00 32.26 C ATOM 2909 CZ PHE C 110 24.310 -12.871 -11.196 1.00 33.58 C ATOM 2910 H PHE C 110 29.043 -13.286 -13.155 1.00 0.00 H ATOM 2911 N PHE C 111 28.751 -9.636 -12.009 1.00 28.01 N ATOM 2912 CA PHE C 111 29.020 -9.137 -10.649 1.00 27.58 C ATOM 2913 C PHE C 111 27.729 -8.626 -10.031 1.00 28.43 C ATOM 2914 O PHE C 111 26.975 -7.953 -10.697 1.00 29.23 O ATOM 2915 CB PHE C 111 30.003 -7.978 -10.663 1.00 26.88 C ATOM 2916 CG PHE C 111 31.356 -8.319 -11.204 1.00 26.21 C ATOM 2917 CD1 PHE C 111 31.616 -8.284 -12.588 1.00 25.86 C ATOM 2918 CD2 PHE C 111 32.387 -8.628 -10.331 1.00 26.09 C ATOM 2919 CE1 PHE C 111 32.880 -8.621 -13.048 1.00 26.36 C ATOM 2920 CE2 PHE C 111 33.644 -8.951 -10.795 1.00 26.22 C ATOM 2921 CZ PHE C 111 33.892 -8.933 -12.158 1.00 26.53 C ATOM 2922 H PHE C 111 28.466 -8.958 -12.744 1.00 0.00 H ATOM 2923 N GLY C 112 27.474 -8.979 -8.780 1.00 28.05 N ATOM 2924 CA GLY C 112 26.303 -8.541 -8.057 1.00 28.25 C ATOM 2925 C GLY C 112 26.788 -7.725 -6.885 1.00 28.42 C ATOM 2926 O GLY C 112 27.437 -8.268 -5.959 1.00 28.71 O ATOM 2927 H GLY C 112 28.150 -9.602 -8.295 1.00 0.00 H ATOM 2928 N LEU C 113 26.555 -6.412 -6.939 1.00 28.25 N ATOM 2929 CA LEU C 113 27.173 -5.503 -5.975 1.00 29.70 C ATOM 2930 C LEU C 113 26.092 -4.870 -5.133 1.00 30.57 C ATOM 2931 O LEU C 113 25.009 -4.539 -5.656 1.00 29.87 O ATOM 2932 CB LEU C 113 27.988 -4.417 -6.688 1.00 29.92 C ATOM 2933 CG LEU C 113 29.088 -4.934 -7.612 1.00 30.50 C ATOM 2934 CD1 LEU C 113 29.801 -3.787 -8.277 1.00 30.90 C ATOM 2935 CD2 LEU C 113 30.055 -5.802 -6.829 1.00 30.85 C ATOM 2936 H LEU C 113 25.927 -6.031 -7.675 1.00 0.00 H ATOM 2937 N ILE C 114 26.429 -4.629 -3.867 1.00 31.25 N ATOM 2938 CA ILE C 114 25.448 -4.174 -2.890 1.00 32.58 C ATOM 2939 C ILE C 114 25.274 -2.671 -3.023 1.00 33.00 C ATOM 2940 O ILE C 114 26.183 -1.926 -2.765 1.00 31.38 O ATOM 2941 CB ILE C 114 25.918 -4.506 -1.449 1.00 33.41 C ATOM 2942 CG1 ILE C 114 26.234 -5.973 -1.271 1.00 33.81 C ATOM 2943 CG2 ILE C 114 24.858 -4.093 -0.437 1.00 34.89 C ATOM 2944 CD1 ILE C 114 27.167 -6.242 -0.096 1.00 34.16 C ATOM 2945 H ILE C 114 27.415 -4.769 -3.569 1.00 0.00 H ATOM 2946 N LYS C 115 24.080 -2.240 -3.415 1.00 34.34 N ATOM 2947 CA LYS C 115 23.724 -0.820 -3.478 1.00 35.31 C ATOM 2948 C LYS C 115 24.201 0.038 -2.311 1.00 36.96 C ATOM 2949 O LYS C 115 24.810 1.089 -2.564 1.00 35.63 O ATOM 2950 CB LYS C 115 22.201 -0.648 -3.650 1.00 37.56 C ATOM 2951 CG LYS C 115 21.733 0.810 -3.799 1.00 39.16 C ATOM 2952 CD LYS C 115 20.312 0.985 -4.269 1.00 40.64 C ATOM 2953 CE LYS C 115 20.083 2.434 -4.704 1.00 42.03 C ATOM 2954 NZ LYS C 115 18.644 2.793 -4.796 1.00 43.54 N ATOM 2955 HZ1 LYS C 115 18.178 2.177 -5.492 1.00 0.00 H ATOM 2956 HZ2 LYS C 115 18.197 2.668 -3.866 1.00 0.00 H ATOM 2957 HZ3 LYS C 115 18.554 3.785 -5.095 1.00 0.00 H ATOM 2958 H LYS C 115 23.365 -2.943 -3.690 1.00 0.00 H ATOM 2959 N ASP C 116 23.967 -0.390 -1.062 1.00 37.88 N ATOM 2960 CA ASP C 116 24.357 0.488 0.061 1.00 40.60 C ATOM 2961 C ASP C 116 25.869 0.534 0.347 1.00 39.00 C ATOM 2962 O ASP C 116 26.310 1.288 1.193 1.00 40.07 O ATOM 2963 CB ASP C 116 23.510 0.291 1.339 1.00 43.77 C ATOM 2964 CG ASP C 116 23.661 -1.072 1.973 1.00 46.09 C ATOM 2965 OD1 ASP C 116 24.748 -1.668 1.900 1.00 47.75 O ATOM 2966 OD2 ASP C 116 22.698 -1.523 2.630 1.00 51.68 O ATOM 2967 H ASP C 116 23.523 -1.314 -0.888 1.00 0.00 H ATOM 2968 N ARG C 117 26.649 -0.250 -0.374 1.00 36.85 N ATOM 2969 CA ARG C 117 28.111 -0.208 -0.261 1.00 35.26 C ATOM 2970 C ARG C 117 28.749 0.610 -1.372 1.00 33.01 C ATOM 2971 O ARG C 117 29.945 0.734 -1.381 1.00 30.45 O ATOM 2972 CB ARG C 117 28.662 -1.646 -0.227 1.00 36.43 C ATOM 2973 CG ARG C 117 28.019 -2.467 0.867 1.00 38.63 C ATOM 2974 CD ARG C 117 28.987 -2.871 1.970 1.00 40.46 C ATOM 2975 NE ARG C 117 28.289 -3.468 3.110 1.00 42.07 N ATOM 2976 CZ ARG C 117 28.578 -4.644 3.678 1.00 44.57 C ATOM 2977 NH1 ARG C 117 29.535 -5.420 3.187 1.00 44.22 N ATOM 2978 NH2 ARG C 117 27.861 -5.053 4.716 1.00 45.64 N ATOM 2979 HE ARG C 117 27.497 -2.929 3.515 1.00 0.00 H ATOM 2980 HH12 ARG C 117 29.748 -6.332 3.639 1.00 0.00 H ATOM 2981 HH11 ARG C 117 30.072 -5.117 2.350 1.00 0.00 H ATOM 2982 HH22 ARG C 117 28.074 -5.965 5.168 1.00 0.00 H ATOM 2983 HH21 ARG C 117 27.086 -4.462 5.078 1.00 0.00 H ATOM 2984 H ARG C 117 26.214 -0.918 -1.042 1.00 0.00 H ATOM 2985 N LEU C 118 27.928 1.164 -2.273 1.00 31.76 N ATOM 2986 CA LEU C 118 28.375 1.915 -3.425 1.00 31.39 C ATOM 2987 C LEU C 118 27.943 3.376 -3.330 1.00 31.21 C ATOM 2988 O LEU C 118 26.996 3.697 -2.660 1.00 31.38 O ATOM 2989 CB LEU C 118 27.804 1.301 -4.698 1.00 31.92 C ATOM 2990 CG LEU C 118 28.339 -0.083 -5.057 1.00 32.71 C ATOM 2991 CD1 LEU C 118 27.700 -0.528 -6.365 1.00 33.31 C ATOM 2992 CD2 LEU C 118 29.853 -0.171 -5.163 1.00 32.40 C ATOM 2993 H LEU C 118 26.904 1.047 -2.136 1.00 0.00 H ATOM 2994 N ALA C 119 28.662 4.242 -4.024 1.00 29.94 N ATOM 2995 CA ALA C 119 28.224 5.596 -4.314 1.00 30.22 C ATOM 2996 C ALA C 119 28.019 5.696 -5.821 1.00 29.22 C ATOM 2997 O ALA C 119 28.895 5.292 -6.607 1.00 28.66 O ATOM 2998 CB ALA C 119 29.277 6.575 -3.878 1.00 30.42 C ATOM 2999 H ALA C 119 29.590 3.937 -4.381 1.00 0.00 H ATOM 3000 N GLU C 120 26.862 6.218 -6.217 1.00 28.96 N ATOM 3001 CA GLU C 120 26.570 6.421 -7.652 1.00 29.32 C ATOM 3002 C GLU C 120 26.766 7.894 -7.973 1.00 29.20 C ATOM 3003 O GLU C 120 26.383 8.776 -7.188 1.00 26.92 O ATOM 3004 CB GLU C 120 25.147 5.978 -8.001 1.00 30.90 C ATOM 3005 CG GLU C 120 24.052 6.712 -7.225 1.00 34.81 C ATOM 3006 CD GLU C 120 22.663 6.179 -7.489 1.00 36.80 C ATOM 3007 OE1 GLU C 120 21.714 6.761 -6.901 1.00 41.32 O ATOM 3008 OE2 GLU C 120 22.505 5.213 -8.279 1.00 37.32 O ATOM 3009 H GLU C 120 26.152 6.488 -5.507 1.00 0.00 H ATOM 3010 N GLY C 121 27.299 8.185 -9.155 1.00 29.10 N ATOM 3011 CA GLY C 121 27.413 9.582 -9.586 1.00 30.67 C ATOM 3012 C GLY C 121 27.650 9.713 -11.070 1.00 31.37 C ATOM 3013 O GLY C 121 27.639 8.727 -11.769 1.00 30.34 O ATOM 3014 H GLY C 121 27.636 7.421 -9.775 1.00 0.00 H ATOM 3015 N PRO C 122 27.835 10.935 -11.555 1.00 32.76 N ATOM 3016 CA PRO C 122 27.920 11.190 -12.981 1.00 34.02 C ATOM 3017 C PRO C 122 29.146 10.599 -13.661 1.00 34.91 C ATOM 3018 O PRO C 122 30.186 10.395 -13.016 1.00 34.77 O ATOM 3019 CB PRO C 122 27.945 12.723 -13.057 1.00 34.97 C ATOM 3020 CG PRO C 122 28.484 13.177 -11.743 1.00 35.04 C ATOM 3021 CD PRO C 122 28.012 12.156 -10.749 1.00 33.85 C ATOM 3022 N ALA C 123 29.011 10.352 -14.972 1.00 35.88 N ATOM 3023 CA ALA C 123 30.120 9.906 -15.828 1.00 36.65 C ATOM 3024 C ALA C 123 31.328 10.830 -15.705 1.00 36.98 C ATOM 3025 O ALA C 123 31.157 12.046 -15.579 1.00 37.82 O ATOM 3026 CB ALA C 123 29.670 9.842 -17.280 1.00 37.18 C ATOM 3027 H ALA C 123 28.075 10.483 -15.405 1.00 0.00 H TER 3028 ALA C 123 HETATM 3029 ZN ZN A 1 24.034 26.956 9.993 1.00 17.28 ZN HETATM 3030 ZN ZN A 2 43.225 10.985 30.004 1.00 22.49 ZN HETATM 3031 ZN ZN A 3 36.969 0.969 -1.142 1.00 23.11 ZN HETATM 3032 O HOH 4 13.997 24.483 -5.164 1.00 35.20 O HETATM 3033 O HOH 5 14.787 22.419 -6.961 1.00 37.09 O HETATM 3034 O HOH 6 7.854 15.519 15.016 1.00 54.49 O HETATM 3035 O HOH 7 23.605 14.012 11.816 1.00 30.89 O HETATM 3036 O HOH 8 8.229 11.431 5.120 1.00 22.11 O HETATM 3037 O HOH 9 31.704 26.951 11.539 1.00 38.70 O HETATM 3038 O HOH 10 29.687 24.320 6.504 1.00 30.37 O HETATM 3039 O HOH 11 8.051 15.809 0.274 1.00 29.94 O HETATM 3040 O HOH 12 11.794 21.729 -11.946 1.00 28.27 O HETATM 3041 O HOH 13 20.344 28.778 -10.663 1.00 49.65 O HETATM 3042 O HOH 14 12.937 15.888 22.995 1.00 46.30 O HETATM 3043 O HOH 15 21.167 25.953 -7.055 1.00 24.73 O HETATM 3044 O HOH 16 31.515 16.091 8.055 1.00 21.66 O HETATM 3045 O HOH 17 33.551 14.808 -13.171 1.00 45.78 O HETATM 3046 O HOH 18 13.425 18.651 24.359 1.00 51.52 O HETATM 3047 O HOH 19 28.623 12.939 3.534 1.00 22.82 O HETATM 3048 O HOH 20 14.943 18.542 -15.976 1.00 23.51 O HETATM 3049 O HOH 21 7.257 9.603 10.487 1.00 40.39 O HETATM 3050 O HOH 22 31.992 17.106 2.493 1.00 33.50 O HETATM 3051 O HOH 23 10.589 15.499 -14.239 1.00 21.47 O HETATM 3052 O HOH 24 12.594 9.087 -8.925 1.00 37.02 O HETATM 3053 O HOH 25 23.434 22.646 -13.348 1.00 32.36 O HETATM 3054 O HOH 26 30.429 16.798 4.534 1.00 28.24 O HETATM 3055 O HOH 27 30.460 14.651 2.246 1.00 41.26 O HETATM 3056 O HOH 28 28.000 21.062 -4.289 1.00 49.31 O HETATM 3057 O HOH 29 15.390 31.186 -1.430 1.00 52.58 O HETATM 3058 O HOH 30 29.189 8.734 5.792 1.00 50.90 O HETATM 3059 O HOH 31 29.758 22.761 15.607 1.00 22.33 O HETATM 3060 O HOH 32 11.435 8.458 10.872 1.00 33.89 O HETATM 3061 O HOH 33 32.149 20.574 10.585 1.00 35.15 O HETATM 3062 O HOH 34 20.272 12.512 18.479 1.00 40.25 O HETATM 3063 O HOH 35 16.247 21.453 20.162 1.00 28.22 O HETATM 3064 O HOH 36 25.859 12.342 12.201 1.00 22.96 O HETATM 3065 O HOH 37 14.275 16.354 -13.930 1.00 35.93 O HETATM 3066 O HOH 38 9.588 19.220 -0.117 1.00 34.18 O HETATM 3067 O HOH 39 22.465 3.164 2.822 1.00 53.61 O HETATM 3068 O HOH 40 15.009 29.901 6.247 1.00 39.36 O HETATM 3069 O HOH 41 20.274 24.691 -9.278 1.00 23.91 O HETATM 3070 O HOH 42 29.007 30.294 5.314 1.00 37.12 O HETATM 3071 O HOH 43 3.791 15.369 -4.269 1.00 33.04 O HETATM 3072 O HOH 44 19.801 4.104 -1.248 1.00 52.07 O HETATM 3073 O HOH 45 9.039 14.122 26.371 1.00 53.66 O HETATM 3074 O HOH 46 7.453 20.227 -8.516 1.00 25.98 O HETATM 3075 O HOH 47 15.813 30.221 -5.033 1.00 38.67 O HETATM 3076 O HOH 48 6.320 18.062 -10.178 1.00 19.24 O HETATM 3077 O HOH 49 30.825 20.133 14.813 1.00 31.29 O HETATM 3078 O HOH 50 28.279 32.548 8.496 1.00 32.44 O HETATM 3079 O HOH 51 6.440 17.973 2.026 1.00 34.18 O HETATM 3080 O HOH 52 15.968 12.736 -14.314 1.00 40.33 O HETATM 3081 O HOH 53 11.094 13.769 14.830 1.00 25.34 O HETATM 3082 O HOH 54 29.241 20.995 8.490 1.00 30.06 O HETATM 3083 O HOH 55 26.873 22.161 8.668 1.00 21.48 O HETATM 3084 O HOH 56 14.901 4.090 5.094 1.00 44.62 O HETATM 3085 O HOH 57 4.178 19.396 -3.935 1.00 36.16 O HETATM 3086 O HOH 58 9.514 9.182 -6.185 1.00 44.78 O HETATM 3087 O HOH 59 16.476 7.821 -9.123 1.00 31.65 O HETATM 3088 O HOH 60 29.441 24.696 3.387 1.00 24.11 O HETATM 3089 O HOH 61 4.322 7.518 -1.971 1.00 46.02 O HETATM 3090 O HOH 62 5.872 17.413 -2.704 1.00 27.67 O HETATM 3091 O HOH 63 23.216 15.368 -16.450 1.00 40.82 O HETATM 3092 O HOH 64 25.553 21.523 -5.797 1.00 36.45 O HETATM 3093 O HOH 65 16.652 15.316 -13.664 1.00 33.69 O HETATM 3094 O HOH 66 22.510 4.782 -2.350 1.00 42.85 O HETATM 3095 O HOH 67 7.915 7.558 -0.256 1.00 44.07 O HETATM 3096 O HOH 68 10.117 11.749 -10.140 1.00 23.99 O HETATM 3097 O HOH 69 23.459 5.746 8.893 1.00 49.06 O HETATM 3098 O HOH 70 30.636 24.395 1.039 1.00 52.91 O HETATM 3099 O HOH 71 30.724 19.028 8.945 1.00 32.36 O HETATM 3100 O HOH 72 12.605 20.859 12.756 1.00 48.17 O HETATM 3101 O HOH 73 28.214 10.832 6.417 1.00 33.14 O HETATM 3102 O HOH 74 14.578 9.913 20.566 1.00 47.36 O HETATM 3103 O HOH 75 17.925 7.489 -6.589 1.00 39.30 O HETATM 3104 O HOH 76 13.540 6.984 12.305 1.00 50.44 O HETATM 3105 O HOH 77 21.284 8.740 13.653 1.00 44.50 O HETATM 3106 O HOH 78 10.167 25.090 14.356 1.00 41.72 O HETATM 3107 O HOH 79 18.927 32.850 -4.939 1.00 39.71 O HETATM 3108 O HOH 80 2.689 17.730 -3.544 1.00 39.91 O HETATM 3109 O HOH 81 25.467 21.183 -12.208 1.00 39.80 O HETATM 3110 O HOH 82 19.454 5.236 9.336 1.00 50.80 O HETATM 3111 O HOH 83 12.720 11.360 -16.111 1.00 47.64 O HETATM 3112 O HOH 84 15.697 22.605 22.565 1.00 46.62 O HETATM 3113 O HOH 85 6.722 19.766 14.191 1.00 40.27 O HETATM 3114 O HOH 86 32.717 26.620 9.216 1.00 48.46 O HETATM 3115 O HOH 87 13.261 28.885 10.240 1.00 34.28 O HETATM 3116 O HOH 88 15.464 7.023 -5.407 1.00 40.33 O HETATM 3117 O HOH 89 12.841 2.510 5.182 1.00 56.19 O HETATM 3118 O HOH 90 12.672 6.380 6.356 1.00 42.75 O HETATM 3119 O HOH 91 23.336 27.496 -7.695 1.00 39.31 O HETATM 3120 O HOH 92 29.050 28.185 9.140 1.00 35.12 O HETATM 3121 O HOH 93 11.112 9.129 -18.508 1.00 50.98 O HETATM 3122 O HOH 94 6.545 9.517 4.236 1.00 35.03 O HETATM 3123 O HOH 95 22.490 24.976 -10.935 1.00 37.64 O HETATM 3124 O HOH 96 30.576 26.704 7.546 1.00 40.82 O HETATM 3125 O HOH 97 10.775 8.545 22.701 1.00 48.43 O HETATM 3126 O HOH 98 12.265 7.512 14.666 1.00 54.63 O HETATM 3127 O HOH 99 14.921 5.667 -9.759 1.00 53.29 O HETATM 3128 O HOH 100 40.121 -2.384 13.121 1.00 46.26 O HETATM 3129 O HOH 101 36.962 17.080 12.043 1.00 36.71 O HETATM 3130 O HOH 102 35.863 18.582 22.018 1.00 39.90 O HETATM 3131 O HOH 103 38.178 6.411 10.313 1.00 38.56 O HETATM 3132 O HOH 104 34.656 6.870 43.938 1.00 42.31 O HETATM 3133 O HOH 105 15.336 9.705 26.024 1.00 43.49 O HETATM 3134 O HOH 106 30.662 7.636 9.249 1.00 43.98 O HETATM 3135 O HOH 107 28.383 10.076 8.938 1.00 28.68 O HETATM 3136 O HOH 108 27.015 2.830 32.486 1.00 36.40 O HETATM 3137 O HOH 109 43.642 1.659 29.331 1.00 38.17 O HETATM 3138 O HOH 110 15.484 -0.487 26.163 1.00 37.77 O HETATM 3139 O HOH 111 30.201 21.757 21.513 1.00 34.56 O HETATM 3140 O HOH 112 28.313 5.257 37.460 1.00 45.01 O HETATM 3141 O HOH 113 34.077 -3.014 14.536 1.00 37.08 O HETATM 3142 O HOH 114 28.764 -3.631 23.145 1.00 26.06 O HETATM 3143 O HOH 115 26.213 10.718 34.333 1.00 21.77 O HETATM 3144 O HOH 116 34.653 20.340 13.279 1.00 48.11 O HETATM 3145 O HOH 117 24.154 -7.254 24.480 1.00 35.10 O HETATM 3146 O HOH 118 36.402 -1.211 12.663 1.00 34.81 O HETATM 3147 O HOH 119 23.590 9.902 33.903 1.00 23.16 O HETATM 3148 O HOH 120 26.848 -5.156 26.065 1.00 29.84 O HETATM 3149 O HOH 121 35.917 -5.501 14.207 1.00 39.30 O HETATM 3150 O HOH 122 16.839 22.579 25.199 1.00 29.45 O HETATM 3151 O HOH 123 21.393 0.183 15.439 1.00 44.96 O HETATM 3152 O HOH 124 34.884 20.056 19.896 1.00 49.38 O HETATM 3153 O HOH 125 39.068 2.704 34.345 1.00 23.00 O HETATM 3154 O HOH 126 48.599 4.854 20.136 1.00 35.88 O HETATM 3155 O HOH 127 50.654 11.772 29.171 1.00 31.69 O HETATM 3156 O HOH 128 47.386 -0.044 24.751 1.00 42.82 O HETATM 3157 O HOH 129 39.386 17.546 27.994 1.00 39.80 O HETATM 3158 O HOH 130 41.209 17.488 18.750 1.00 40.70 O HETATM 3159 O HOH 131 26.461 -0.534 32.474 1.00 32.05 O HETATM 3160 O HOH 132 24.956 25.954 26.782 1.00 23.28 O HETATM 3161 O HOH 133 24.658 4.221 31.305 1.00 34.87 O HETATM 3162 O HOH 134 34.332 15.014 18.150 1.00 18.73 O HETATM 3163 O HOH 135 20.061 -4.395 28.879 1.00 44.26 O HETATM 3164 O HOH 136 28.063 12.066 10.682 1.00 22.53 O HETATM 3165 O HOH 137 19.955 13.385 33.506 1.00 37.02 O HETATM 3166 O HOH 138 20.360 -1.539 19.428 1.00 60.32 O HETATM 3167 O HOH 139 31.998 3.954 37.951 1.00 35.03 O HETATM 3168 O HOH 140 29.574 8.331 40.423 1.00 48.01 O HETATM 3169 O HOH 141 24.700 -6.015 30.189 1.00 31.76 O HETATM 3170 O HOH 142 29.860 3.789 10.043 1.00 33.20 O HETATM 3171 O HOH 143 45.117 12.844 16.408 1.00 37.10 O HETATM 3172 O HOH 144 41.002 14.298 25.806 1.00 21.48 O HETATM 3173 O HOH 145 37.756 -7.708 21.404 1.00 25.26 O HETATM 3174 O HOH 146 15.889 8.469 33.564 1.00 42.63 O HETATM 3175 O HOH 147 40.607 10.572 17.126 1.00 29.83 O HETATM 3176 O HOH 148 20.008 1.678 33.064 1.00 43.01 O HETATM 3177 O HOH 149 19.130 3.166 19.771 1.00 48.38 O HETATM 3178 O HOH 150 41.705 -2.086 16.592 1.00 24.97 O HETATM 3179 O HOH 151 23.489 11.790 14.967 1.00 29.99 O HETATM 3180 O HOH 152 20.587 14.966 28.565 1.00 37.20 O HETATM 3181 O HOH 153 37.105 17.576 29.874 1.00 33.35 O HETATM 3182 O HOH 154 28.516 23.385 20.505 1.00 28.78 O HETATM 3183 O HOH 155 22.255 -3.003 30.419 1.00 38.07 O HETATM 3184 O HOH 156 29.902 -1.368 26.702 1.00 19.93 O HETATM 3185 O HOH 157 39.937 15.612 15.985 1.00 32.62 O HETATM 3186 O HOH 158 26.673 20.783 28.097 1.00 47.69 O HETATM 3187 O HOH 159 32.754 17.040 19.222 1.00 20.12 O HETATM 3188 O HOH 160 22.030 10.041 16.595 1.00 39.93 O HETATM 3189 O HOH 161 38.264 10.400 36.397 1.00 34.01 O HETATM 3190 O HOH 162 46.963 10.817 16.996 1.00 34.50 O HETATM 3191 O HOH 163 40.382 5.883 38.001 1.00 39.33 O HETATM 3192 O HOH 164 47.204 7.303 19.874 1.00 29.61 O HETATM 3193 O HOH 165 35.469 6.803 10.001 1.00 37.46 O HETATM 3194 O HOH 166 22.584 19.362 28.306 1.00 30.62 O HETATM 3195 O HOH 167 26.094 4.314 36.073 1.00 52.01 O HETATM 3196 O HOH 168 47.248 13.598 21.703 1.00 54.08 O HETATM 3197 O HOH 169 42.022 3.361 34.410 1.00 37.06 O HETATM 3198 O HOH 170 31.900 18.675 28.135 1.00 37.95 O HETATM 3199 O HOH 171 17.816 -6.753 26.594 1.00 58.10 O HETATM 3200 O HOH 172 32.381 18.613 21.387 1.00 49.20 O HETATM 3201 O HOH 173 24.684 -1.363 10.973 1.00 55.12 O HETATM 3202 O HOH 174 46.366 15.780 32.447 1.00 51.00 O HETATM 3203 O HOH 175 49.841 13.494 26.597 1.00 48.46 O HETATM 3204 O HOH 176 43.519 1.108 31.644 1.00 44.87 O HETATM 3205 O HOH 177 23.947 11.534 38.461 1.00 48.27 O HETATM 3206 O HOH 178 21.177 5.567 16.171 1.00 45.78 O HETATM 3207 O HOH 179 24.232 -1.928 16.345 1.00 49.98 O HETATM 3208 O HOH 180 31.546 1.088 11.865 1.00 36.83 O HETATM 3209 O HOH 181 33.644 19.416 29.686 1.00 50.42 O HETATM 3210 O HOH 182 43.860 17.843 24.535 1.00 59.98 O HETATM 3211 O HOH 183 12.467 7.568 17.355 1.00 56.38 O HETATM 3212 O HOH 184 22.401 12.359 34.645 1.00 34.45 O HETATM 3213 O HOH 185 41.348 16.857 24.511 1.00 36.25 O HETATM 3214 O HOH 186 29.808 -5.001 15.695 1.00 30.97 O HETATM 3215 O HOH 187 23.871 2.963 39.337 1.00 46.83 O HETATM 3216 O HOH 188 20.932 -5.089 -12.120 1.00 32.93 O HETATM 3217 O HOH 189 35.662 7.353 -12.977 1.00 45.33 O HETATM 3218 O HOH 190 41.424 -5.208 -1.049 1.00 34.64 O HETATM 3219 O HOH 191 32.872 -18.245 -2.358 1.00 37.69 O HETATM 3220 O HOH 192 20.855 6.270 -4.587 1.00 44.89 O HETATM 3221 O HOH 193 18.519 -19.381 -12.867 1.00 40.89 O HETATM 3222 O HOH 194 37.355 5.957 4.130 1.00 43.29 O HETATM 3223 O HOH 195 34.609 -16.150 -1.702 1.00 43.38 O HETATM 3224 O HOH 196 39.034 1.299 -10.412 1.00 41.01 O HETATM 3225 O HOH 197 31.198 6.592 2.986 1.00 54.82 O HETATM 3226 O HOH 198 41.471 -0.167 4.200 1.00 39.21 O HETATM 3227 O HOH 199 42.022 -4.816 -7.443 1.00 35.48 O HETATM 3228 O HOH 200 30.272 0.639 3.131 1.00 41.62 O HETATM 3229 O HOH 201 14.517 -5.150 -19.455 1.00 48.03 O HETATM 3230 O HOH 202 31.466 0.242 0.823 1.00 33.37 O HETATM 3231 O HOH 203 17.399 2.709 -2.369 1.00 46.23 O HETATM 3232 O HOH 204 34.799 7.976 1.465 1.00 43.89 O HETATM 3233 O HOH 205 32.811 10.064 -12.297 1.00 44.57 O HETATM 3234 O HOH 206 31.284 -11.072 -15.414 1.00 38.05 O HETATM 3235 O HOH 207 28.955 -13.322 1.525 1.00 43.12 O HETATM 3236 O HOH 208 28.149 -24.534 -2.400 1.00 59.52 O HETATM 3237 O HOH 209 24.463 3.775 -3.868 1.00 39.43 O HETATM 3238 O HOH 210 19.400 -9.068 -18.001 1.00 55.73 O HETATM 3239 O HOH 211 15.413 0.025 -10.831 1.00 56.45 O HETATM 3240 O HOH 212 43.643 -3.315 -0.570 1.00 38.99 O HETATM 3241 O HOH 213 35.083 -7.275 -15.478 1.00 27.41 O HETATM 3242 O HOH 214 18.516 2.421 -10.213 1.00 56.35 O HETATM 3243 O HOH 215 33.358 -4.740 4.496 1.00 36.09 O HETATM 3244 O HOH 216 16.130 -12.903 -1.490 1.00 57.38 O HETATM 3245 O HOH 217 21.489 -2.184 -0.210 1.00 44.69 O HETATM 3246 O HOH 218 30.249 -7.712 5.227 1.00 53.14 O HETATM 3247 O HOH 219 42.722 -1.069 -8.684 1.00 40.50 O HETATM 3248 O HOH 220 19.963 -8.934 -13.858 1.00 47.71 O HETATM 3249 O HOH 221 43.124 -12.562 0.376 1.00 52.38 O HETATM 3250 O HOH 222 25.765 -9.068 6.048 1.00 53.13 O HETATM 3251 O HOH 223 21.561 -14.122 -13.428 1.00 51.93 O HETATM 3252 O HOH 224 18.899 -19.591 5.329 1.00 85.35 O HETATM 3253 O HOH 225 35.003 5.170 -14.746 1.00 55.16 O HETATM 3254 O HOH 226 21.145 -6.561 -20.845 1.00 54.74 O HETATM 3255 O3 JOH A 227 24.742 -12.025 2.487 1.00 -0.37 O HETATM 3256 C5 JOH A 227 25.275 -13.105 2.578 1.00 0.24 C HETATM 3257 N2 JOH A 227 25.372 -14.033 1.533 1.00 -0.16 N HETATM 3258 C1 JOH A 227 24.843 -13.788 0.199 1.00 0.18 C HETATM 3259 C4 JOH A 227 25.570 -14.371 -1.028 1.00 0.09 C HETATM 3260 C3 JOH A 227 24.436 -14.614 -1.991 1.00 0.21 C HETATM 3261 O1 JOH A 227 24.469 -14.735 -3.206 1.00 -0.39 O HETATM 3262 N1 JOH A 227 23.276 -14.675 -1.262 1.00 -0.20 N HETATM 3263 C2 JOH A 227 23.457 -14.370 0.052 1.00 0.24 C HETATM 3264 O2 JOH A 227 22.640 -14.515 0.931 1.00 -0.38 O HETATM 3265 H4 JOH A 227 22.389 -14.918 -1.655 1.00 0.23 H HETATM 3266 H2 JOH A 227 26.086 -15.309 -0.776 1.00 0.06 H HETATM 3267 H3 JOH A 227 26.295 -13.653 -1.440 1.00 0.06 H HETATM 3268 H1 JOH A 227 24.802 -12.695 0.080 1.00 0.09 H HETATM 3269 C8 JOH A 227 25.967 -15.222 1.971 1.00 0.23 C HETATM 3270 C7 JOH A 227 26.510 -14.926 3.325 1.00 0.10 C HETATM 3271 C6 JOH A 227 26.042 -13.675 3.711 1.00 0.06 C HETATM 3272 C9 JOH A 227 26.359 -13.106 4.929 1.00 -0.05 C HETATM 3273 C10 JOH A 227 27.154 -13.855 5.796 1.00 -0.06 C HETATM 3274 C11 JOH A 227 27.620 -15.116 5.447 1.00 -0.03 C HETATM 3275 C12 JOH A 227 27.292 -15.677 4.203 1.00 0.16 C HETATM 3276 N3 JOH A 227 27.832 -16.995 3.854 1.00 0.13 N HETATM 3277 O5 JOH A 227 27.090 -17.814 3.329 1.00 -0.11 O HETATM 3278 O6 JOH A 227 29.025 -17.189 4.062 1.00 -0.11 O HETATM 3279 H7 JOH A 227 28.241 -15.671 6.140 1.00 0.06 H HETATM 3280 H6 JOH A 227 27.414 -13.444 6.765 1.00 0.06 H HETATM 3281 H5 JOH A 227 26.005 -12.118 5.200 1.00 0.06 H HETATM 3282 O4 JOH A 227 25.935 -16.280 1.389 1.00 -0.37 O CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 78 77 3029 CONECT 114 113 3029 CONECT 718 717 3029 CONECT 742 741 3029 CONECT 1031 1032 1036 1037 1038 CONECT 1036 1031 CONECT 1037 1031 CONECT 1038 1031 CONECT 1090 1089 3030 CONECT 1126 1125 3030 CONECT 1730 1729 3030 CONECT 1754 1753 3030 CONECT 2033 2034 2039 2040 2041 CONECT 2040 2033 CONECT 2041 2033 CONECT 2104 2103 3031 CONECT 2140 2139 3031 CONECT 2732 2731 3031 CONECT 2756 2755 3031 CONECT 3029 78 114 718 742 CONECT 3030 1090 1126 1730 1754 CONECT 3031 2104 2140 2732 2756 CONECT 3255 3256 CONECT 3256 3255 3257 3271 CONECT 3257 3256 3258 3269 CONECT 3258 3257 3259 3263 3268 CONECT 3259 3258 3260 3266 3267 CONECT 3260 3259 3261 3262 CONECT 3261 3260 CONECT 3262 3260 3263 3265 CONECT 3263 3258 3262 3264 CONECT 3264 3263 CONECT 3265 3262 CONECT 3266 3259 CONECT 3267 3259 CONECT 3268 3258 CONECT 3269 3257 3270 3282 CONECT 3270 3269 3271 3275 CONECT 3271 3256 3270 3272 CONECT 3272 3271 3273 3281 CONECT 3273 3272 3274 3280 CONECT 3274 3273 3275 3279 CONECT 3275 3270 3274 3276 CONECT 3276 3275 3277 3278 CONECT 3277 3276 CONECT 3278 3276 CONECT 3279 3274 CONECT 3280 3273 CONECT 3281 3272 CONECT 3282 3269 MASTER 0 0 0 0 0 0 0 0 3279 3 54 27 END
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Related entries of code: 6r0s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5oh1
RCSB PDB
PDBbind
125aa, >5OH1_1|Chains... *
5oh2
RCSB PDB
PDBbind
125aa, >5OH2_1|Chains... at 100%
5oh3
RCSB PDB
PDBbind
125aa, >5OH3_1|Chains... at 100%
5oh4
RCSB PDB
PDBbind
125aa, >5OH4_1|Chains... at 100%
5oh7
RCSB PDB
PDBbind
125aa, >5OH7_1|Chains... at 100%
5oh9
RCSB PDB
PDBbind
125aa, >5OH9_1|Chains... at 100%
5oha
RCSB PDB
PDBbind
125aa, >5OHA_1|Chains... at 100%
6r1x
RCSB PDB
PDBbind
125aa, >6R1X_1|Chains... at 100%
6r1w
RCSB PDB
PDBbind
125aa, >6R1W_1|Chains... at 100%
6r1k
RCSB PDB
PDBbind
125aa, >6R1K_1|Chains... at 100%
6r1d
RCSB PDB
PDBbind
125aa, >6R1D_1|Chains... at 100%
6r1c
RCSB PDB
PDBbind
125aa, >6R1C_1|Chains... at 100%
6r1a
RCSB PDB
PDBbind
125aa, >6R1A_1|Chains... at 100%
6r18
RCSB PDB
PDBbind
125aa, >6R18_1|Chains... at 100%
6r13
RCSB PDB
PDBbind
125aa, >6R13_1|Chains... at 100%
6r12
RCSB PDB
PDBbind
125aa, >6R12_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
6r0s
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cereblon isoform 4
Ligand Name
JOH
EC.Number
E.C.-.-.-.-
Resolution
1.55(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
7
N
3
O
6
Molecular Weight
289.200
Exact Mass
289.033
No. of atoms
28
No. of bonds
30
Polar Surface Area
129.37
LOGP Value
-0.40 (
Computed with XLOGP3
)
0.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
O=C1NC(=O)[C@H](C1)N1C(=O)c2c(C1=O)cccc2N(=O)=O
InChI String
InChI=1S/C12H7N3O6/c16-8-4-7(10(17)13-8)14-11(18)5-2-1-3-6(15(20)21)9(5)12(14)19/h1-3,7H,4H2,(H,13,16,17)/t7-/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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