Browse entries in the PDBbind-CN Database
HEADER 6R1W_COMPLEX COMPND 6R1W_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 MET VAL LEU ALA PRO GLY ALA SER ILE PHE ARG CYS ARG SEQRES 2 A 112 GLN CYS GLY GLN THR ILE SER ARG ARG ASP TRP LEU LEU SEQRES 3 A 112 PRO MET GLY GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO SEQRES 4 A 112 ALA GLY MET ILE PHE ARG VAL TRP CYS PHE SER LEU ALA SEQRES 5 A 112 GLN GLY LEU ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SEQRES 6 A 112 SER TRP PHE LYS GLY TYR ASP TRP THR ILE ALA LEU CYS SEQRES 7 A 112 GLY GLN CYS GLY SER HIS LEU GLY TRP HIS TYR GLU GLY SEQRES 8 A 112 GLY SER GLN PRO GLN THR PHE PHE GLY LEU ILE LYS ASP SEQRES 9 A 112 ARG LEU ALA GLU GLY PRO ALA ASP SEQRES 1 B 111 MET VAL LEU ALA PRO GLY ALA SER ILE PHE ARG CYS ARG SEQRES 2 B 111 GLN CYS GLY GLN THR ILE SER ARG ARG ASP TRP LEU LEU SEQRES 3 B 111 PRO MET GLY GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO SEQRES 4 B 111 ALA GLY MET ILE PHE ARG VAL TRP CYS PHE SER LEU ALA SEQRES 5 B 111 GLN GLY LEU ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SEQRES 6 B 111 SER TRP PHE LYS GLY TYR ASP TRP THR ILE ALA LEU CYS SEQRES 7 B 111 GLY GLN CYS GLY SER HIS LEU GLY TRP HIS TYR GLU GLY SEQRES 8 B 111 GLY SER GLN PRO GLN THR PHE PHE GLY LEU ILE LYS ASP SEQRES 9 B 111 ARG LEU ALA GLU GLY PRO ALA SEQRES 1 C 106 GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR SEQRES 2 C 106 ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP SEQRES 3 C 106 HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE SEQRES 4 C 106 ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU SEQRES 5 C 106 ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY SEQRES 6 C 106 TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER SEQRES 7 C 106 HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN SEQRES 8 C 106 THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY SEQRES 9 C 106 PRO ALA HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET JPW A 642 42 ATOM 1 N MET A 13 5.881 7.064 21.101 1.00 47.73 N ATOM 2 CA MET A 13 6.174 8.138 22.089 1.00 44.97 C ATOM 3 C MET A 13 7.194 7.705 23.161 1.00 42.21 C ATOM 4 O MET A 13 7.104 6.630 23.816 1.00 40.83 O ATOM 5 CB MET A 13 4.887 8.648 22.736 1.00 44.49 C ATOM 6 HN3 MET A 13 5.490 6.237 21.596 1.00 0.00 H ATOM 7 HN2 MET A 13 6.759 6.794 20.613 1.00 0.00 H ATOM 8 HN1 MET A 13 5.190 7.413 20.406 1.00 0.00 H ATOM 9 N VAL A 14 8.172 8.581 23.358 1.00 39.85 N ATOM 10 CA VAL A 14 9.152 8.448 24.431 1.00 39.23 C ATOM 11 C VAL A 14 9.196 9.767 25.187 1.00 36.99 C ATOM 12 O VAL A 14 9.001 10.858 24.613 1.00 34.92 O ATOM 13 CB VAL A 14 10.575 8.120 23.942 1.00 41.55 C ATOM 14 CG1 VAL A 14 10.614 6.686 23.383 1.00 42.59 C ATOM 15 CG2 VAL A 14 10.995 9.108 22.916 1.00 40.29 C ATOM 16 H VAL A 14 8.243 9.399 22.719 1.00 0.00 H ATOM 17 N LEU A 15 9.497 9.671 26.458 1.00 32.78 N ATOM 18 CA LEU A 15 9.679 10.854 27.301 1.00 31.53 C ATOM 19 C LEU A 15 11.052 11.428 27.033 1.00 29.60 C ATOM 20 O LEU A 15 12.038 10.658 27.031 1.00 29.74 O ATOM 21 CB LEU A 15 9.582 10.423 28.736 1.00 33.46 C ATOM 22 CG LEU A 15 8.247 9.874 29.235 1.00 35.30 C ATOM 23 CD1 LEU A 15 8.344 9.374 30.661 1.00 36.66 C ATOM 24 CD2 LEU A 15 7.201 10.974 29.056 1.00 36.85 C ATOM 25 H LEU A 15 9.610 8.727 26.880 1.00 0.00 H ATOM 26 N ALA A 16 11.150 12.748 26.881 1.00 25.59 N ATOM 27 CA ALA A 16 12.490 13.426 26.731 1.00 24.68 C ATOM 28 C ALA A 16 13.362 12.847 25.601 1.00 23.59 C ATOM 29 O ALA A 16 14.541 12.495 25.870 1.00 22.60 O ATOM 30 CB ALA A 16 13.259 13.435 28.070 1.00 26.25 C ATOM 31 H ALA A 16 10.284 13.324 26.865 1.00 0.00 H ATOM 32 N PRO A 17 12.899 12.806 24.369 1.00 24.26 N ATOM 33 CA PRO A 17 13.676 12.199 23.339 1.00 23.51 C ATOM 34 C PRO A 17 14.905 13.051 22.993 1.00 21.86 C ATOM 35 O PRO A 17 14.815 14.292 23.064 1.00 23.11 O ATOM 36 CB PRO A 17 12.736 12.222 22.104 1.00 25.30 C ATOM 37 CG PRO A 17 11.680 13.218 22.484 1.00 24.99 C ATOM 38 CD PRO A 17 11.548 13.151 23.918 1.00 25.38 C ATOM 39 N GLY A 18 16.029 12.437 22.728 1.00 22.00 N ATOM 40 CA GLY A 18 17.287 13.162 22.336 1.00 21.32 C ATOM 41 C GLY A 18 17.561 13.129 20.882 1.00 21.23 C ATOM 42 O GLY A 18 18.582 13.672 20.452 1.00 23.13 O ATOM 43 H GLY A 18 16.054 11.399 22.791 1.00 0.00 H ATOM 44 N ALA A 19 16.723 12.505 20.086 1.00 22.49 N ATOM 45 CA ALA A 19 17.027 12.367 18.648 1.00 23.07 C ATOM 46 C ALA A 19 15.775 12.740 17.939 1.00 24.62 C ATOM 47 O ALA A 19 14.962 11.890 17.455 1.00 30.67 O ATOM 48 CB ALA A 19 17.459 11.000 18.224 1.00 24.64 C ATOM 49 H ALA A 19 15.842 12.107 20.470 1.00 0.00 H ATOM 50 N SER A 20 15.531 14.023 17.954 1.00 22.05 N ATOM 51 CA SER A 20 14.302 14.579 17.493 1.00 21.97 C ATOM 52 C SER A 20 14.448 15.603 16.383 1.00 20.34 C ATOM 53 O SER A 20 13.693 15.569 15.351 1.00 20.24 O ATOM 54 CB SER A 20 13.602 15.244 18.647 1.00 23.06 C ATOM 55 OG SER A 20 12.338 15.529 18.253 1.00 22.98 O ATOM 56 HG SER A 20 12.366 16.135 17.471 1.00 0.00 H ATOM 57 H SER A 20 16.264 14.666 18.317 1.00 0.00 H ATOM 58 N ILE A 21 15.333 16.539 16.567 1.00 17.00 N ATOM 59 CA ILE A 21 15.448 17.715 15.714 1.00 16.58 C ATOM 60 C ILE A 21 16.870 17.684 15.127 1.00 14.11 C ATOM 61 O ILE A 21 17.856 17.265 15.774 1.00 15.89 O ATOM 62 CB ILE A 21 15.275 18.997 16.542 1.00 19.75 C ATOM 63 CG1 ILE A 21 13.750 19.127 16.826 1.00 23.51 C ATOM 64 CG2 ILE A 21 15.780 20.207 15.810 1.00 22.13 C ATOM 65 CD1 ILE A 21 13.346 20.519 17.231 1.00 28.03 C ATOM 66 H ILE A 21 15.993 16.443 17.365 1.00 0.00 H ATOM 67 N PHE A 22 16.976 18.029 13.839 1.00 11.87 N ATOM 68 CA PHE A 22 18.252 18.293 13.230 1.00 12.08 C ATOM 69 C PHE A 22 18.469 19.816 13.083 1.00 11.52 C ATOM 70 O PHE A 22 17.601 20.554 12.613 1.00 12.56 O ATOM 71 CB PHE A 22 18.296 17.687 11.801 1.00 12.22 C ATOM 72 CG PHE A 22 18.286 16.175 11.817 1.00 12.83 C ATOM 73 CD1 PHE A 22 19.432 15.483 11.993 1.00 15.77 C ATOM 74 CD2 PHE A 22 17.116 15.499 11.615 1.00 14.68 C ATOM 75 CE1 PHE A 22 19.437 14.073 12.042 1.00 18.08 C ATOM 76 CE2 PHE A 22 17.119 14.103 11.649 1.00 16.09 C ATOM 77 CZ PHE A 22 18.238 13.427 11.811 1.00 15.94 C ATOM 78 H PHE A 22 16.114 18.108 13.263 1.00 0.00 H ATOM 79 N ARG A 23 19.650 20.247 13.540 1.00 10.96 N ATOM 80 CA ARG A 23 20.072 21.620 13.452 1.00 11.60 C ATOM 81 C ARG A 23 21.293 21.726 12.576 1.00 11.23 C ATOM 82 O ARG A 23 22.029 20.762 12.410 1.00 11.69 O ATOM 83 CB ARG A 23 20.367 22.136 14.898 1.00 12.68 C ATOM 84 CG ARG A 23 19.197 22.213 15.728 1.00 13.55 C ATOM 85 CD ARG A 23 19.488 22.814 17.130 1.00 14.45 C ATOM 86 NE ARG A 23 18.304 22.958 17.910 1.00 15.61 N ATOM 87 CZ ARG A 23 17.358 23.814 17.671 1.00 16.62 C ATOM 88 NH1 ARG A 23 17.511 24.865 16.851 1.00 17.31 N ATOM 89 NH2 ARG A 23 16.190 23.734 18.294 1.00 19.40 N ATOM 90 HE ARG A 23 18.189 22.331 18.732 1.00 0.00 H ATOM 91 HH12 ARG A 23 16.720 25.522 16.694 1.00 0.00 H ATOM 92 HH11 ARG A 23 18.421 25.023 16.372 1.00 0.00 H ATOM 93 HH22 ARG A 23 15.443 24.429 18.090 1.00 0.00 H ATOM 94 HH21 ARG A 23 16.021 22.977 18.986 1.00 0.00 H ATOM 95 H ARG A 23 20.293 19.558 13.979 1.00 0.00 H ATOM 96 N CYS A 24 21.590 22.921 12.072 1.00 10.66 N ATOM 97 CA CYS A 24 22.852 23.180 11.393 1.00 10.38 C ATOM 98 C CYS A 24 23.986 22.929 12.318 1.00 11.00 C ATOM 99 O CYS A 24 24.022 23.475 13.432 1.00 12.02 O ATOM 100 CB CYS A 24 22.846 24.600 10.861 1.00 10.31 C ATOM 101 SG CYS A 24 24.435 25.029 10.103 1.00 11.60 S ATOM 102 H CYS A 24 20.900 23.693 12.166 1.00 0.00 H ATOM 103 N ARG A 25 24.956 22.110 11.918 1.00 11.02 N ATOM 104 CA ARG A 25 26.124 21.812 12.769 1.00 12.01 C ATOM 105 C ARG A 25 26.936 23.026 13.059 1.00 13.64 C ATOM 106 O ARG A 25 27.646 23.044 14.096 1.00 13.30 O ATOM 107 CB ARG A 25 26.962 20.721 12.069 1.00 12.83 C ATOM 108 CG ARG A 25 28.228 20.343 12.759 1.00 13.28 C ATOM 109 CD ARG A 25 28.884 19.212 12.037 1.00 12.50 C ATOM 110 NE ARG A 25 30.157 18.970 12.644 1.00 13.60 N ATOM 111 CZ ARG A 25 31.014 18.051 12.219 1.00 12.93 C ATOM 112 NH1 ARG A 25 30.690 17.207 11.268 1.00 12.46 N ATOM 113 NH2 ARG A 25 32.167 17.964 12.837 1.00 14.64 N ATOM 114 HE ARG A 25 30.426 19.548 13.466 1.00 0.00 H ATOM 115 HH12 ARG A 25 31.377 16.494 10.949 1.00 0.00 H ATOM 116 HH11 ARG A 25 29.746 17.251 10.833 1.00 0.00 H ATOM 117 HH22 ARG A 25 32.867 17.257 12.535 1.00 0.00 H ATOM 118 HH21 ARG A 25 32.382 18.602 13.630 1.00 0.00 H ATOM 119 H ARG A 25 24.889 21.668 10.979 1.00 0.00 H ATOM 120 N GLN A 26 26.948 23.987 12.155 1.00 13.22 N ATOM 121 CA GLN A 26 27.824 25.175 12.337 1.00 15.04 C ATOM 122 C GLN A 26 27.209 26.215 13.203 1.00 16.48 C ATOM 123 O GLN A 26 27.936 26.947 13.915 1.00 20.74 O ATOM 124 CB GLN A 26 28.196 25.752 11.010 1.00 17.13 C ATOM 125 CG GLN A 26 28.913 24.768 10.190 1.00 19.42 C ATOM 126 CD GLN A 26 30.158 24.172 10.817 1.00 23.05 C ATOM 127 OE1 GLN A 26 30.923 24.834 11.458 1.00 25.88 O ATOM 128 NE2 GLN A 26 30.323 22.856 10.651 1.00 26.86 N ATOM 129 HE22 GLN A 26 29.638 22.313 10.087 1.00 0.00 H ATOM 130 HE21 GLN A 26 31.136 22.375 11.085 1.00 0.00 H ATOM 131 H GLN A 26 26.343 23.913 11.312 1.00 0.00 H ATOM 132 N CYS A 27 25.916 26.371 13.324 1.00 13.96 N ATOM 133 CA CYS A 27 25.308 27.492 14.042 1.00 14.21 C ATOM 134 C CYS A 27 24.110 27.176 14.824 1.00 14.48 C ATOM 135 O CYS A 27 23.622 28.015 15.623 1.00 16.32 O ATOM 136 CB CYS A 27 25.024 28.582 13.029 1.00 13.03 C ATOM 137 SG CYS A 27 23.524 28.263 11.991 1.00 12.68 S ATOM 138 H CYS A 27 25.290 25.664 12.889 1.00 0.00 H ATOM 139 N GLY A 28 23.482 26.013 14.713 1.00 12.91 N ATOM 140 CA GLY A 28 22.317 25.691 15.447 1.00 12.56 C ATOM 141 C GLY A 28 20.960 26.032 14.917 1.00 12.74 C ATOM 142 O GLY A 28 19.937 25.652 15.521 1.00 13.17 O ATOM 143 H GLY A 28 23.865 25.304 14.055 1.00 0.00 H ATOM 144 N GLN A 29 20.895 26.608 13.696 1.00 12.17 N ATOM 145 CA GLN A 29 19.585 26.885 13.100 1.00 12.34 C ATOM 146 C GLN A 29 18.783 25.579 13.011 1.00 11.99 C ATOM 147 O GLN A 29 19.305 24.558 12.625 1.00 12.23 O ATOM 148 CB GLN A 29 19.805 27.506 11.713 1.00 12.34 C ATOM 149 CG GLN A 29 18.553 27.689 10.890 1.00 13.00 C ATOM 150 CD GLN A 29 17.523 28.698 11.434 1.00 13.51 C ATOM 151 OE1 GLN A 29 17.851 29.891 11.687 1.00 14.58 O ATOM 152 NE2 GLN A 29 16.232 28.258 11.486 1.00 16.12 N ATOM 153 HE22 GLN A 29 16.012 27.265 11.269 1.00 0.00 H ATOM 154 HE21 GLN A 29 15.468 28.916 11.743 1.00 0.00 H ATOM 155 H GLN A 29 21.767 26.852 13.184 1.00 0.00 H ATOM 156 N THR A 30 17.500 25.651 13.351 1.00 13.06 N ATOM 157 CA THR A 30 16.610 24.498 13.188 1.00 13.51 C ATOM 158 C THR A 30 16.420 24.215 11.707 1.00 12.46 C ATOM 159 O THR A 30 16.077 25.126 10.986 1.00 13.17 O ATOM 160 CB THR A 30 15.236 24.820 13.786 1.00 15.54 C ATOM 161 OG1 THR A 30 15.387 25.534 15.054 1.00 21.14 O ATOM 162 CG2 THR A 30 14.567 23.597 13.951 1.00 16.25 C ATOM 163 HG1 THR A 30 14.492 25.735 15.427 1.00 0.00 H ATOM 164 H THR A 30 17.122 26.539 13.739 1.00 0.00 H ATOM 165 N ILE A 31 16.590 22.930 11.338 1.00 11.56 N ATOM 166 CA ILE A 31 16.543 22.528 9.907 1.00 12.12 C ATOM 167 C ILE A 31 15.477 21.474 9.678 1.00 12.04 C ATOM 168 O ILE A 31 14.669 21.611 8.756 1.00 12.95 O ATOM 169 CB ILE A 31 17.880 22.093 9.371 1.00 11.83 C ATOM 170 CG1 ILE A 31 18.966 23.135 9.531 1.00 11.62 C ATOM 171 CG2 ILE A 31 17.712 21.675 7.899 1.00 12.56 C ATOM 172 CD1 ILE A 31 18.744 24.404 8.768 1.00 12.24 C ATOM 173 H ILE A 31 16.757 22.207 12.067 1.00 0.00 H ATOM 174 N SER A 32 15.472 20.343 10.365 1.00 12.00 N ATOM 175 CA SER A 32 14.485 19.298 10.076 1.00 13.32 C ATOM 176 C SER A 32 14.246 18.461 11.294 1.00 14.16 C ATOM 177 O SER A 32 14.659 18.795 12.407 1.00 13.55 O ATOM 178 CB SER A 32 14.857 18.526 8.813 1.00 13.37 C ATOM 179 OG SER A 32 13.731 17.760 8.352 1.00 14.88 O ATOM 180 HG SER A 32 12.978 18.371 8.150 1.00 0.00 H ATOM 181 H SER A 32 16.175 20.194 11.117 1.00 0.00 H ATOM 182 N ARG A 33 13.578 17.336 11.095 1.00 15.08 N ATOM 183 CA ARG A 33 13.187 16.468 12.209 1.00 16.12 C ATOM 184 C ARG A 33 13.302 15.062 11.800 1.00 15.48 C ATOM 185 O ARG A 33 13.034 14.754 10.581 1.00 15.25 O ATOM 186 CB ARG A 33 11.732 16.683 12.586 1.00 18.78 C ATOM 187 CG ARG A 33 11.388 18.118 12.969 1.00 20.93 C ATOM 188 CD ARG A 33 9.925 18.191 13.464 1.00 25.72 C ATOM 189 NE ARG A 33 9.818 17.670 14.804 1.00 30.24 N ATOM 190 CZ ARG A 33 9.941 18.442 15.898 1.00 35.35 C ATOM 191 NH1 ARG A 33 10.170 19.764 15.806 1.00 36.08 N ATOM 192 NH2 ARG A 33 9.852 17.908 17.093 1.00 38.83 N ATOM 193 HE ARG A 33 9.638 16.653 14.930 1.00 0.00 H ATOM 194 HH12 ARG A 33 10.261 20.337 16.669 1.00 0.00 H ATOM 195 HH11 ARG A 33 10.256 20.213 14.872 1.00 0.00 H ATOM 196 HH22 ARG A 33 9.947 18.506 17.938 1.00 0.00 H ATOM 197 HH21 ARG A 33 9.686 16.886 17.195 1.00 0.00 H ATOM 198 H ARG A 33 13.324 17.061 10.125 1.00 0.00 H ATOM 199 N ARG A 34 13.620 14.177 12.695 1.00 15.69 N ATOM 200 CA ARG A 34 13.668 12.756 12.335 1.00 17.20 C ATOM 201 C ARG A 34 12.330 12.199 11.813 1.00 17.82 C ATOM 202 O ARG A 34 12.320 11.381 10.893 1.00 17.45 O ATOM 203 CB ARG A 34 14.180 11.968 13.561 1.00 19.51 C ATOM 204 CG ARG A 34 14.165 10.470 13.387 1.00 23.18 C ATOM 205 CD ARG A 34 15.095 9.780 14.384 1.00 25.68 C ATOM 206 NE ARG A 34 16.533 9.997 14.081 1.00 28.63 N ATOM 207 CZ ARG A 34 17.264 9.313 13.194 1.00 27.87 C ATOM 208 NH1 ARG A 34 16.729 8.341 12.428 1.00 30.91 N ATOM 209 NH2 ARG A 34 18.527 9.603 13.024 1.00 30.44 N ATOM 210 HE ARG A 34 17.017 10.752 14.608 1.00 0.00 H ATOM 211 HH12 ARG A 34 17.325 7.828 11.748 1.00 0.00 H ATOM 212 HH11 ARG A 34 15.720 8.104 12.518 1.00 0.00 H ATOM 213 HH22 ARG A 34 19.094 9.071 12.334 1.00 0.00 H ATOM 214 HH21 ARG A 34 18.965 10.366 13.579 1.00 0.00 H ATOM 215 H ARG A 34 13.841 14.475 13.667 1.00 0.00 H ATOM 216 N ASP A 35 11.261 12.732 12.326 1.00 18.19 N ATOM 217 CA ASP A 35 9.929 12.304 11.889 1.00 19.12 C ATOM 218 C ASP A 35 9.705 12.586 10.409 1.00 17.44 C ATOM 219 O ASP A 35 8.764 12.052 9.817 1.00 19.28 O ATOM 220 CB ASP A 35 8.819 13.013 12.702 1.00 20.83 C ATOM 221 CG ASP A 35 8.674 12.456 14.123 1.00 25.73 C ATOM 222 OD1 ASP A 35 9.187 11.382 14.446 1.00 30.07 O ATOM 223 OD2 ASP A 35 8.012 13.141 14.885 1.00 31.66 O ATOM 224 H ASP A 35 11.352 13.469 13.054 1.00 0.00 H ATOM 225 N TRP A 36 10.502 13.526 9.841 1.00 15.82 N ATOM 226 CA TRP A 36 10.315 13.899 8.452 1.00 15.83 C ATOM 227 C TRP A 36 11.279 13.204 7.510 1.00 14.62 C ATOM 228 O TRP A 36 11.256 13.497 6.278 1.00 15.15 O ATOM 229 CB TRP A 36 10.430 15.416 8.330 1.00 15.30 C ATOM 230 CG TRP A 36 9.496 16.230 9.131 1.00 17.48 C ATOM 231 CD1 TRP A 36 8.313 15.822 9.668 1.00 19.42 C ATOM 232 CD2 TRP A 36 9.608 17.603 9.446 1.00 18.31 C ATOM 233 NE1 TRP A 36 7.686 16.851 10.283 1.00 21.30 N ATOM 234 CE2 TRP A 36 8.439 17.977 10.147 1.00 20.46 C ATOM 235 CE3 TRP A 36 10.587 18.574 9.210 1.00 18.63 C ATOM 236 CZ2 TRP A 36 8.242 19.297 10.590 1.00 21.01 C ATOM 237 CZ3 TRP A 36 10.367 19.856 9.605 1.00 19.75 C ATOM 238 CH2 TRP A 36 9.218 20.213 10.367 1.00 20.94 C ATOM 239 HE1 TRP A 36 6.774 16.791 10.780 1.00 0.00 H ATOM 240 H TRP A 36 11.249 13.980 10.404 1.00 0.00 H ATOM 241 N LEU A 37 12.004 12.214 7.938 1.00 16.48 N ATOM 242 CA LEU A 37 12.819 11.439 7.016 1.00 17.31 C ATOM 243 C LEU A 37 11.933 10.756 5.974 1.00 17.35 C ATOM 244 O LEU A 37 10.782 10.365 6.266 1.00 18.59 O ATOM 245 CB LEU A 37 13.607 10.399 7.769 1.00 18.48 C ATOM 246 CG LEU A 37 14.837 10.920 8.481 1.00 19.39 C ATOM 247 CD1 LEU A 37 15.358 9.933 9.555 1.00 21.69 C ATOM 248 CD2 LEU A 37 15.925 11.270 7.453 1.00 18.89 C ATOM 249 H LEU A 37 12.001 11.974 8.950 1.00 0.00 H ATOM 250 N LEU A 38 12.407 10.665 4.725 1.00 16.90 N ATOM 251 CA LEU A 38 11.629 10.224 3.612 1.00 17.84 C ATOM 252 C LEU A 38 12.359 9.103 2.902 1.00 18.85 C ATOM 253 O LEU A 38 13.413 9.357 2.343 1.00 19.17 O ATOM 254 CB LEU A 38 11.479 11.390 2.634 1.00 18.46 C ATOM 255 CG LEU A 38 10.743 11.079 1.316 1.00 19.12 C ATOM 256 CD1 LEU A 38 9.298 10.658 1.560 1.00 21.19 C ATOM 257 CD2 LEU A 38 10.762 12.335 0.421 1.00 20.18 C ATOM 258 H LEU A 38 13.398 10.931 4.556 1.00 0.00 H ATOM 259 N PRO A 39 11.839 7.876 2.934 1.00 20.82 N ATOM 260 CA PRO A 39 12.558 6.811 2.226 1.00 21.84 C ATOM 261 C PRO A 39 12.459 6.749 0.701 1.00 22.57 C ATOM 262 O PRO A 39 11.819 5.853 0.141 1.00 25.18 O ATOM 263 CB PRO A 39 11.991 5.537 2.828 1.00 22.43 C ATOM 264 CG PRO A 39 10.927 5.868 3.738 1.00 21.96 C ATOM 265 CD PRO A 39 10.825 7.352 3.875 1.00 21.37 C ATOM 266 N MET A 40 13.109 7.663 -0.002 1.00 21.81 N ATOM 267 CA MET A 40 13.177 7.684 -1.472 1.00 21.98 C ATOM 268 C MET A 40 13.781 6.436 -2.078 1.00 23.31 C ATOM 269 O MET A 40 14.896 6.050 -1.703 1.00 23.25 O ATOM 270 CB MET A 40 13.983 8.891 -1.909 1.00 21.58 C ATOM 271 CG MET A 40 13.320 10.234 -1.642 1.00 22.10 C ATOM 272 SD MET A 40 11.782 10.378 -2.514 1.00 24.56 S ATOM 273 CE MET A 40 12.362 10.790 -4.155 1.00 22.56 C ATOM 274 H MET A 40 13.604 8.415 0.518 1.00 0.00 H ATOM 275 N GLY A 41 13.074 5.765 -2.986 1.00 24.21 N ATOM 276 CA GLY A 41 13.615 4.508 -3.533 1.00 27.66 C ATOM 277 C GLY A 41 13.838 3.457 -2.464 1.00 28.10 C ATOM 278 O GLY A 41 14.710 2.593 -2.643 1.00 32.74 O ATOM 279 H GLY A 41 12.151 6.124 -3.305 1.00 0.00 H ATOM 280 N GLY A 42 13.093 3.497 -1.340 1.00 28.47 N ATOM 281 CA GLY A 42 13.206 2.575 -0.250 1.00 27.66 C ATOM 282 C GLY A 42 14.231 2.830 0.851 1.00 28.86 C ATOM 283 O GLY A 42 14.403 2.037 1.813 1.00 31.18 O ATOM 284 H GLY A 42 12.384 4.254 -1.259 1.00 0.00 H ATOM 285 N ASP A 43 14.901 3.961 0.781 1.00 26.71 N ATOM 286 CA ASP A 43 15.947 4.236 1.785 1.00 25.21 C ATOM 287 C ASP A 43 15.995 5.739 1.958 1.00 21.25 C ATOM 288 O ASP A 43 16.068 6.476 0.960 1.00 21.66 O ATOM 289 CB ASP A 43 17.332 3.780 1.306 1.00 27.19 C ATOM 290 CG ASP A 43 18.343 3.614 2.430 1.00 31.49 C ATOM 291 OD1 ASP A 43 18.261 4.263 3.521 1.00 29.72 O ATOM 292 OD2 ASP A 43 19.247 2.745 2.318 1.00 34.78 O ATOM 293 H ASP A 43 14.696 4.650 0.030 1.00 0.00 H ATOM 294 N HIS A 44 16.041 6.222 3.186 1.00 20.94 N ATOM 295 CA HIS A 44 16.230 7.668 3.377 1.00 20.54 C ATOM 296 C HIS A 44 17.674 8.068 3.117 1.00 19.12 C ATOM 297 O HIS A 44 17.907 9.229 2.847 1.00 19.01 O ATOM 298 CB HIS A 44 15.755 8.127 4.735 1.00 20.63 C ATOM 299 CG HIS A 44 16.555 7.658 5.904 1.00 21.58 C ATOM 300 ND1 HIS A 44 15.984 6.853 6.859 1.00 28.06 N ATOM 301 CD2 HIS A 44 17.808 7.936 6.340 1.00 22.64 C ATOM 302 CE1 HIS A 44 16.882 6.601 7.809 1.00 26.94 C ATOM 303 NE2 HIS A 44 17.993 7.260 7.523 1.00 25.37 N ATOM 304 H HIS A 44 15.945 5.589 4.006 1.00 0.00 H ATOM 305 N GLU A 45 18.614 7.131 3.131 1.00 19.46 N ATOM 306 CA GLU A 45 20.014 7.450 2.897 1.00 19.39 C ATOM 307 C GLU A 45 20.451 7.075 1.475 1.00 19.86 C ATOM 308 O GLU A 45 20.197 5.989 1.047 1.00 20.67 O ATOM 309 CB GLU A 45 20.853 6.734 3.920 1.00 21.32 C ATOM 310 CG GLU A 45 22.342 7.013 3.778 1.00 22.75 C ATOM 311 CD GLU A 45 23.130 6.356 4.886 1.00 25.50 C ATOM 312 OE1 GLU A 45 23.152 6.927 5.991 1.00 27.16 O ATOM 313 OE2 GLU A 45 23.717 5.251 4.665 1.00 28.81 O ATOM 314 H GLU A 45 18.343 6.144 3.314 1.00 0.00 H ATOM 315 N HIS A 46 21.076 8.047 0.782 1.00 18.12 N ATOM 316 CA HIS A 46 21.568 7.882 -0.562 1.00 18.43 C ATOM 317 C HIS A 46 23.007 8.343 -0.596 1.00 18.18 C ATOM 318 O HIS A 46 23.317 9.478 -0.178 1.00 18.14 O ATOM 319 CB HIS A 46 20.757 8.627 -1.564 1.00 20.58 C ATOM 320 CG HIS A 46 19.383 8.050 -1.734 1.00 22.22 C ATOM 321 ND1 HIS A 46 18.991 7.384 -2.874 1.00 26.14 N ATOM 322 CD2 HIS A 46 18.356 7.980 -0.872 1.00 23.92 C ATOM 323 CE1 HIS A 46 17.747 6.921 -2.683 1.00 26.87 C ATOM 324 NE2 HIS A 46 17.360 7.267 -1.481 1.00 23.95 N ATOM 325 H HIS A 46 21.211 8.969 1.244 1.00 0.00 H ATOM 326 N VAL A 47 23.966 7.491 -1.003 1.00 19.49 N ATOM 327 CA VAL A 47 25.332 7.881 -1.018 1.00 19.05 C ATOM 328 C VAL A 47 25.716 8.157 -2.479 1.00 17.67 C ATOM 329 O VAL A 47 25.547 7.344 -3.354 1.00 19.85 O ATOM 330 CB VAL A 47 26.263 6.788 -0.425 1.00 23.65 C ATOM 331 CG1 VAL A 47 27.693 7.317 -0.408 1.00 24.51 C ATOM 332 CG2 VAL A 47 25.903 6.497 1.046 1.00 25.13 C ATOM 333 H VAL A 47 23.703 6.533 -1.311 1.00 0.00 H ATOM 334 N VAL A 48 26.191 9.357 -2.727 1.00 15.23 N ATOM 335 CA VAL A 48 26.321 9.907 -4.072 1.00 16.00 C ATOM 336 C VAL A 48 27.580 10.697 -4.222 1.00 16.25 C ATOM 337 O VAL A 48 28.193 11.055 -3.223 1.00 17.87 O ATOM 338 CB VAL A 48 25.118 10.860 -4.323 1.00 17.01 C ATOM 339 CG1 VAL A 48 23.830 10.025 -4.287 1.00 18.49 C ATOM 340 CG2 VAL A 48 25.074 12.023 -3.310 1.00 17.18 C ATOM 341 H VAL A 48 26.490 9.945 -1.923 1.00 0.00 H ATOM 342 N PHE A 49 28.021 10.978 -5.449 1.00 16.29 N ATOM 343 CA PHE A 49 29.115 11.899 -5.687 1.00 16.47 C ATOM 344 C PHE A 49 28.825 12.929 -6.717 1.00 15.81 C ATOM 345 O PHE A 49 28.057 12.679 -7.656 1.00 16.94 O ATOM 346 CB PHE A 49 30.487 11.227 -5.984 1.00 21.04 C ATOM 347 CG PHE A 49 30.509 10.436 -7.121 1.00 23.29 C ATOM 348 CD1 PHE A 49 30.153 9.039 -7.114 1.00 24.33 C ATOM 349 CD2 PHE A 49 31.020 10.946 -8.343 1.00 24.89 C ATOM 350 CE1 PHE A 49 30.140 8.311 -8.292 1.00 25.26 C ATOM 351 CE2 PHE A 49 31.004 10.245 -9.491 1.00 25.95 C ATOM 352 CZ PHE A 49 30.614 8.894 -9.481 1.00 26.52 C ATOM 353 H PHE A 49 27.564 10.520 -6.264 1.00 0.00 H ATOM 354 N ASN A 50 29.371 14.119 -6.593 1.00 16.50 N ATOM 355 CA ASN A 50 29.232 15.165 -7.604 1.00 17.29 C ATOM 356 C ASN A 50 30.339 15.125 -8.661 1.00 17.88 C ATOM 357 O ASN A 50 31.261 14.314 -8.599 1.00 18.63 O ATOM 358 CB ASN A 50 29.076 16.523 -6.878 1.00 17.59 C ATOM 359 CG ASN A 50 30.348 17.009 -6.226 1.00 18.46 C ATOM 360 OD1 ASN A 50 31.438 16.495 -6.446 1.00 20.05 O ATOM 361 ND2 ASN A 50 30.207 18.083 -5.516 1.00 19.76 N ATOM 362 HD22 ASN A 50 29.259 18.481 -5.358 1.00 0.00 H ATOM 363 HD21 ASN A 50 31.041 18.547 -5.104 1.00 0.00 H ATOM 364 H ASN A 50 29.926 14.325 -5.738 1.00 0.00 H ATOM 365 N PRO A 51 30.276 16.053 -9.634 1.00 18.87 N ATOM 366 CA PRO A 51 31.291 16.062 -10.705 1.00 20.97 C ATOM 367 C PRO A 51 32.668 16.398 -10.221 1.00 20.57 C ATOM 368 O PRO A 51 33.651 16.051 -10.925 1.00 23.55 O ATOM 369 CB PRO A 51 30.783 17.143 -11.690 1.00 21.84 C ATOM 370 CG PRO A 51 29.281 17.107 -11.459 1.00 22.22 C ATOM 371 CD PRO A 51 29.123 16.961 -9.985 1.00 20.37 C ATOM 372 N ALA A 52 32.788 16.956 -9.018 1.00 19.20 N ATOM 373 CA ALA A 52 34.121 17.224 -8.420 1.00 19.97 C ATOM 374 C ALA A 52 34.565 16.062 -7.566 1.00 20.65 C ATOM 375 O ALA A 52 35.594 16.174 -6.909 1.00 19.40 O ATOM 376 CB ALA A 52 34.092 18.480 -7.616 1.00 20.73 C ATOM 377 H ALA A 52 31.931 17.209 -8.486 1.00 0.00 H ATOM 378 N GLY A 53 33.889 14.944 -7.643 1.00 19.36 N ATOM 379 CA GLY A 53 34.243 13.712 -6.925 1.00 20.59 C ATOM 380 C GLY A 53 33.941 13.723 -5.439 1.00 19.89 C ATOM 381 O GLY A 53 34.289 12.757 -4.756 1.00 21.77 O ATOM 382 H GLY A 53 33.046 14.927 -8.252 1.00 0.00 H ATOM 383 N MET A 54 33.256 14.708 -4.922 1.00 19.35 N ATOM 384 CA MET A 54 32.915 14.749 -3.500 1.00 18.60 C ATOM 385 C MET A 54 31.819 13.736 -3.224 1.00 19.21 C ATOM 386 O MET A 54 30.799 13.758 -3.933 1.00 17.27 O ATOM 387 CB MET A 54 32.519 16.142 -3.133 1.00 20.02 C ATOM 388 CG MET A 54 32.271 16.405 -1.665 1.00 20.55 C ATOM 389 SD MET A 54 33.392 15.722 -0.458 1.00 21.79 S ATOM 390 CE MET A 54 34.878 16.693 -0.729 1.00 21.83 C ATOM 391 H MET A 54 32.944 15.485 -5.539 1.00 0.00 H ATOM 392 N ILE A 55 31.979 12.900 -2.193 1.00 18.55 N ATOM 393 CA ILE A 55 30.990 11.898 -1.761 1.00 18.90 C ATOM 394 C ILE A 55 30.152 12.515 -0.688 1.00 17.95 C ATOM 395 O ILE A 55 30.656 13.192 0.182 1.00 19.99 O ATOM 396 CB ILE A 55 31.622 10.605 -1.195 1.00 19.90 C ATOM 397 CG1 ILE A 55 30.590 9.477 -1.033 1.00 20.96 C ATOM 398 CG2 ILE A 55 32.328 10.873 0.169 1.00 20.03 C ATOM 399 CD1 ILE A 55 31.165 8.146 -0.700 1.00 22.96 C ATOM 400 H ILE A 55 32.868 12.962 -1.656 1.00 0.00 H ATOM 401 N PHE A 56 28.840 12.318 -0.794 1.00 15.64 N ATOM 402 CA PHE A 56 27.894 12.865 0.221 1.00 15.66 C ATOM 403 C PHE A 56 26.991 11.714 0.670 1.00 17.24 C ATOM 404 O PHE A 56 26.511 10.921 -0.110 1.00 17.47 O ATOM 405 CB PHE A 56 27.024 13.961 -0.344 1.00 15.90 C ATOM 406 CG PHE A 56 27.730 15.157 -0.922 1.00 16.49 C ATOM 407 CD1 PHE A 56 28.127 16.165 -0.113 1.00 18.47 C ATOM 408 CD2 PHE A 56 28.007 15.263 -2.267 1.00 18.61 C ATOM 409 CE1 PHE A 56 28.815 17.305 -0.630 1.00 19.08 C ATOM 410 CE2 PHE A 56 28.657 16.374 -2.761 1.00 19.63 C ATOM 411 CZ PHE A 56 29.024 17.406 -1.981 1.00 19.49 C ATOM 412 H PHE A 56 28.468 11.773 -1.598 1.00 0.00 H ATOM 413 N ARG A 57 26.785 11.648 2.003 1.00 15.69 N ATOM 414 CA ARG A 57 25.800 10.793 2.600 1.00 17.35 C ATOM 415 C ARG A 57 24.566 11.664 2.745 1.00 14.76 C ATOM 416 O ARG A 57 24.478 12.496 3.655 1.00 15.46 O ATOM 417 CB ARG A 57 26.265 10.279 3.936 1.00 20.17 C ATOM 418 CG ARG A 57 25.298 9.344 4.689 1.00 25.44 C ATOM 419 CD ARG A 57 25.629 9.192 6.175 1.00 29.73 C ATOM 420 NE ARG A 57 26.905 8.518 6.347 1.00 33.55 N ATOM 421 CZ ARG A 57 27.054 7.262 6.766 1.00 35.65 C ATOM 422 NH1 ARG A 57 25.986 6.530 7.128 1.00 35.76 N ATOM 423 NH2 ARG A 57 28.297 6.760 6.923 1.00 36.38 N ATOM 424 HE ARG A 57 27.767 9.057 6.126 1.00 0.00 H ATOM 425 HH12 ARG A 57 26.113 5.551 7.454 1.00 0.00 H ATOM 426 HH11 ARG A 57 25.033 6.943 7.082 1.00 0.00 H ATOM 427 HH22 ARG A 57 28.425 5.781 7.250 1.00 0.00 H ATOM 428 HH21 ARG A 57 29.127 7.352 6.717 1.00 0.00 H ATOM 429 H ARG A 57 27.367 12.244 2.625 1.00 0.00 H ATOM 430 N VAL A 58 23.659 11.528 1.852 1.00 13.92 N ATOM 431 CA VAL A 58 22.466 12.385 1.723 1.00 13.36 C ATOM 432 C VAL A 58 21.293 11.684 2.445 1.00 14.51 C ATOM 433 O VAL A 58 21.024 10.497 2.164 1.00 16.24 O ATOM 434 CB VAL A 58 22.083 12.653 0.289 1.00 14.11 C ATOM 435 CG1 VAL A 58 20.778 13.438 0.149 1.00 13.84 C ATOM 436 CG2 VAL A 58 23.196 13.508 -0.332 1.00 14.77 C ATOM 437 H VAL A 58 23.772 10.755 1.166 1.00 0.00 H ATOM 438 N TRP A 59 20.679 12.415 3.359 1.00 13.03 N ATOM 439 CA TRP A 59 19.435 11.925 3.974 1.00 13.37 C ATOM 440 C TRP A 59 18.312 12.708 3.349 1.00 13.11 C ATOM 441 O TRP A 59 18.362 13.956 3.269 1.00 12.90 O ATOM 442 CB TRP A 59 19.435 12.096 5.457 1.00 14.20 C ATOM 443 CG TRP A 59 20.276 11.002 6.180 1.00 17.31 C ATOM 444 CD1 TRP A 59 21.142 10.106 5.579 1.00 20.64 C ATOM 445 CD2 TRP A 59 20.219 10.615 7.550 1.00 20.75 C ATOM 446 NE1 TRP A 59 21.631 9.215 6.542 1.00 22.35 N ATOM 447 CE2 TRP A 59 21.046 9.500 7.727 1.00 21.12 C ATOM 448 CE3 TRP A 59 19.482 11.070 8.623 1.00 22.27 C ATOM 449 CZ2 TRP A 59 21.225 8.879 8.954 1.00 23.52 C ATOM 450 CZ3 TRP A 59 19.677 10.457 9.855 1.00 25.07 C ATOM 451 CH2 TRP A 59 20.575 9.403 10.012 1.00 24.88 C ATOM 452 HE1 TRP A 59 22.327 8.461 6.374 1.00 0.00 H ATOM 453 H TRP A 59 21.074 13.334 3.643 1.00 0.00 H ATOM 454 N CYS A 60 17.269 11.998 2.913 1.00 13.66 N ATOM 455 CA CYS A 60 16.103 12.634 2.298 1.00 14.14 C ATOM 456 C CYS A 60 15.062 12.936 3.351 1.00 13.79 C ATOM 457 O CYS A 60 14.775 12.093 4.205 1.00 14.66 O ATOM 458 CB CYS A 60 15.509 11.720 1.258 1.00 14.20 C ATOM 459 SG CYS A 60 16.700 11.319 -0.064 1.00 16.52 S ATOM 460 H CYS A 60 17.285 10.963 3.013 1.00 0.00 H ATOM 461 N PHE A 61 14.537 14.150 3.277 1.00 12.61 N ATOM 462 CA PHE A 61 13.479 14.643 4.188 1.00 13.08 C ATOM 463 C PHE A 61 12.344 15.174 3.358 1.00 12.65 C ATOM 464 O PHE A 61 12.505 15.770 2.270 1.00 13.95 O ATOM 465 CB PHE A 61 14.052 15.770 5.020 1.00 13.46 C ATOM 466 CG PHE A 61 15.068 15.339 6.029 1.00 13.70 C ATOM 467 CD1 PHE A 61 14.732 15.053 7.319 1.00 13.82 C ATOM 468 CD2 PHE A 61 16.411 15.302 5.755 1.00 13.72 C ATOM 469 CE1 PHE A 61 15.665 14.719 8.283 1.00 14.58 C ATOM 470 CE2 PHE A 61 17.376 15.003 6.677 1.00 14.27 C ATOM 471 CZ PHE A 61 17.030 14.736 7.975 1.00 13.88 C ATOM 472 H PHE A 61 14.887 14.792 2.538 1.00 0.00 H ATOM 473 N SER A 62 11.113 14.922 3.833 1.00 13.67 N ATOM 474 CA SER A 62 9.954 15.499 3.173 1.00 14.89 C ATOM 475 C SER A 62 9.866 16.987 3.308 1.00 15.02 C ATOM 476 O SER A 62 9.286 17.650 2.458 1.00 16.33 O ATOM 477 CB SER A 62 8.698 14.819 3.693 1.00 16.33 C ATOM 478 OG SER A 62 8.713 13.419 3.374 1.00 18.73 O ATOM 479 HG SER A 62 7.889 12.994 3.720 1.00 0.00 H ATOM 480 H SER A 62 10.990 14.317 4.670 1.00 0.00 H ATOM 481 N LEU A 63 10.412 17.509 4.419 1.00 14.62 N ATOM 482 CA LEU A 63 10.257 18.866 4.832 1.00 14.95 C ATOM 483 C LEU A 63 11.557 19.304 5.504 1.00 13.18 C ATOM 484 O LEU A 63 12.217 18.509 6.111 1.00 15.29 O ATOM 485 CB LEU A 63 9.090 18.727 5.825 1.00 17.17 C ATOM 486 CG LEU A 63 8.567 19.923 6.503 1.00 17.79 C ATOM 487 CD1 LEU A 63 8.216 20.912 5.444 1.00 18.21 C ATOM 488 CD2 LEU A 63 7.368 19.466 7.348 1.00 18.41 C ATOM 489 H LEU A 63 10.986 16.882 5.018 1.00 0.00 H ATOM 490 N ALA A 64 11.780 20.570 5.405 1.00 13.31 N ATOM 491 CA ALA A 64 12.886 21.241 6.113 1.00 13.05 C ATOM 492 C ALA A 64 12.543 22.666 6.197 1.00 13.74 C ATOM 493 O ALA A 64 11.659 23.178 5.520 1.00 15.79 O ATOM 494 CB ALA A 64 14.190 21.046 5.430 1.00 12.71 C ATOM 495 H ALA A 64 11.155 21.141 4.801 1.00 0.00 H ATOM 496 N GLN A 65 13.199 23.361 7.120 1.00 13.25 N ATOM 497 CA GLN A 65 13.023 24.779 7.379 1.00 13.01 C ATOM 498 C GLN A 65 14.374 25.388 7.618 1.00 12.20 C ATOM 499 O GLN A 65 15.361 24.700 7.746 1.00 12.89 O ATOM 500 CB GLN A 65 12.156 25.018 8.641 1.00 15.24 C ATOM 501 CG GLN A 65 12.774 24.399 9.902 1.00 17.75 C ATOM 502 CD GLN A 65 11.855 24.465 11.116 1.00 21.76 C ATOM 503 OE1 GLN A 65 11.819 25.427 11.811 1.00 30.91 O ATOM 504 NE2 GLN A 65 11.131 23.451 11.314 1.00 26.71 N ATOM 505 HE22 GLN A 65 11.198 22.632 10.677 1.00 0.00 H ATOM 506 HE21 GLN A 65 10.467 23.435 12.114 1.00 0.00 H ATOM 507 H GLN A 65 13.893 22.850 7.702 1.00 0.00 H ATOM 508 N GLY A 66 14.434 26.684 7.717 1.00 12.78 N ATOM 509 CA GLY A 66 15.694 27.378 8.122 1.00 12.33 C ATOM 510 C GLY A 66 16.723 27.405 7.064 1.00 12.32 C ATOM 511 O GLY A 66 17.862 27.790 7.360 1.00 12.38 O ATOM 512 H GLY A 66 13.586 27.250 7.510 1.00 0.00 H ATOM 513 N LEU A 67 16.389 27.027 5.845 1.00 12.10 N ATOM 514 CA LEU A 67 17.310 27.046 4.697 1.00 12.73 C ATOM 515 C LEU A 67 17.095 28.251 3.880 1.00 13.69 C ATOM 516 O LEU A 67 16.101 28.978 4.058 1.00 15.31 O ATOM 517 CB LEU A 67 17.127 25.782 3.849 1.00 12.13 C ATOM 518 CG LEU A 67 17.410 24.492 4.590 1.00 12.48 C ATOM 519 CD1 LEU A 67 16.734 23.338 3.850 1.00 13.12 C ATOM 520 CD2 LEU A 67 18.855 24.213 4.800 1.00 13.76 C ATOM 521 H LEU A 67 15.416 26.696 5.686 1.00 0.00 H ATOM 522 N ARG A 68 18.018 28.539 2.962 1.00 13.49 N ATOM 523 CA ARG A 68 17.789 29.465 1.869 1.00 14.57 C ATOM 524 C ARG A 68 18.128 28.775 0.595 1.00 14.22 C ATOM 525 O ARG A 68 19.244 28.222 0.432 1.00 13.77 O ATOM 526 CB ARG A 68 18.695 30.681 1.998 1.00 16.87 C ATOM 527 CG ARG A 68 18.550 31.786 1.058 1.00 23.85 C ATOM 528 CD ARG A 68 19.041 33.121 1.648 1.00 27.88 C ATOM 529 NE ARG A 68 20.456 33.203 1.314 1.00 32.25 N ATOM 530 CZ ARG A 68 21.452 32.833 2.070 1.00 33.10 C ATOM 531 NH1 ARG A 68 21.241 32.385 3.299 1.00 40.34 N ATOM 532 NH2 ARG A 68 22.701 32.955 1.627 1.00 34.74 N ATOM 533 HE ARG A 68 20.696 33.595 0.381 1.00 0.00 H ATOM 534 HH12 ARG A 68 22.045 32.093 3.891 1.00 0.00 H ATOM 535 HH11 ARG A 68 20.272 32.325 3.671 1.00 0.00 H ATOM 536 HH22 ARG A 68 23.497 32.661 2.228 1.00 0.00 H ATOM 537 HH21 ARG A 68 22.881 33.345 0.680 1.00 0.00 H ATOM 538 H ARG A 68 18.947 28.077 3.033 1.00 0.00 H ATOM 539 N LEU A 69 17.172 28.745 -0.338 1.00 14.89 N ATOM 540 CA LEU A 69 17.309 28.006 -1.612 1.00 16.13 C ATOM 541 C LEU A 69 17.828 28.974 -2.605 1.00 17.96 C ATOM 542 O LEU A 69 17.259 30.108 -2.772 1.00 20.54 O ATOM 543 CB LEU A 69 15.941 27.381 -1.973 1.00 16.15 C ATOM 544 CG LEU A 69 15.322 26.543 -0.897 1.00 18.37 C ATOM 545 CD1 LEU A 69 14.006 25.980 -1.490 1.00 21.00 C ATOM 546 CD2 LEU A 69 16.292 25.477 -0.474 1.00 17.04 C ATOM 547 H LEU A 69 16.290 29.266 -0.160 1.00 0.00 H ATOM 548 N ILE A 70 18.943 28.673 -3.272 1.00 18.22 N ATOM 549 CA ILE A 70 19.695 29.605 -4.060 1.00 20.72 C ATOM 550 C ILE A 70 19.495 29.361 -5.530 1.00 22.32 C ATOM 551 O ILE A 70 19.678 28.211 -6.000 1.00 22.06 O ATOM 552 CB ILE A 70 21.200 29.500 -3.845 1.00 25.19 C ATOM 553 CG1 ILE A 70 21.541 29.519 -2.373 1.00 25.94 C ATOM 554 CG2 ILE A 70 21.945 30.527 -4.673 1.00 27.27 C ATOM 555 CD1 ILE A 70 21.002 30.717 -1.694 1.00 26.40 C ATOM 556 H ILE A 70 19.291 27.695 -3.217 1.00 0.00 H ATOM 557 N GLY A 71 19.078 30.429 -6.218 1.00 20.65 N ATOM 558 CA GLY A 71 18.920 30.306 -7.671 1.00 23.14 C ATOM 559 C GLY A 71 17.738 29.526 -8.109 1.00 21.56 C ATOM 560 O GLY A 71 16.745 29.361 -7.398 1.00 25.24 O ATOM 561 H GLY A 71 18.871 31.326 -5.734 1.00 0.00 H ATOM 562 N ALA A 72 17.798 29.132 -9.381 1.00 24.21 N ATOM 563 CA ALA A 72 16.781 28.446 -10.064 1.00 21.56 C ATOM 564 C ALA A 72 17.189 26.931 -10.270 1.00 18.23 C ATOM 565 O ALA A 72 18.392 26.611 -10.312 1.00 21.70 O ATOM 566 CB ALA A 72 16.620 29.035 -11.468 1.00 25.07 C ATOM 567 H ALA A 72 18.667 29.350 -9.909 1.00 0.00 H ATOM 568 N PRO A 73 16.232 26.078 -10.426 1.00 18.15 N ATOM 569 CA PRO A 73 16.489 24.671 -10.477 1.00 16.98 C ATOM 570 C PRO A 73 17.275 24.217 -11.678 1.00 17.18 C ATOM 571 O PRO A 73 17.127 24.809 -12.767 1.00 19.63 O ATOM 572 CB PRO A 73 15.128 24.028 -10.450 1.00 19.09 C ATOM 573 CG PRO A 73 14.173 25.091 -9.995 1.00 19.27 C ATOM 574 CD PRO A 73 14.800 26.284 -10.432 1.00 19.35 C ATOM 575 N SER A 74 18.032 23.140 -11.573 1.00 14.64 N ATOM 576 CA SER A 74 18.736 22.488 -12.627 1.00 13.91 C ATOM 577 C SER A 74 18.539 21.012 -12.600 1.00 13.65 C ATOM 578 O SER A 74 18.576 20.430 -11.496 1.00 14.26 O ATOM 579 CB SER A 74 20.221 22.790 -12.498 1.00 15.76 C ATOM 580 OG SER A 74 20.933 22.111 -13.513 1.00 17.71 O ATOM 581 HG SER A 74 21.899 22.310 -13.426 1.00 0.00 H ATOM 582 H SER A 74 18.124 22.725 -10.624 1.00 0.00 H ATOM 583 N GLY A 75 18.372 20.364 -13.721 1.00 13.16 N ATOM 584 CA GLY A 75 18.374 18.925 -13.780 1.00 13.42 C ATOM 585 C GLY A 75 19.746 18.308 -13.947 1.00 14.37 C ATOM 586 O GLY A 75 19.850 17.063 -13.920 1.00 15.72 O ATOM 587 H GLY A 75 18.233 20.904 -14.599 1.00 0.00 H ATOM 588 N GLU A 76 20.792 19.095 -14.129 1.00 15.63 N ATOM 589 CA GLU A 76 22.105 18.563 -14.494 1.00 18.11 C ATOM 590 C GLU A 76 22.658 17.691 -13.394 1.00 16.52 C ATOM 591 O GLU A 76 22.712 18.086 -12.260 1.00 18.11 O ATOM 592 CB GLU A 76 23.075 19.676 -14.816 1.00 21.98 C ATOM 593 CG GLU A 76 22.768 20.528 -16.000 1.00 29.63 C ATOM 594 CD GLU A 76 24.010 21.442 -16.233 1.00 35.69 C ATOM 595 OE1 GLU A 76 23.861 22.683 -16.216 1.00 43.69 O ATOM 596 OE2 GLU A 76 25.154 20.897 -16.348 1.00 45.30 O ATOM 597 H GLU A 76 20.678 20.122 -14.009 1.00 0.00 H ATOM 598 N PHE A 77 23.051 16.477 -13.729 1.00 17.43 N ATOM 599 CA PHE A 77 23.731 15.577 -12.822 1.00 18.33 C ATOM 600 C PHE A 77 22.784 15.186 -11.684 1.00 15.99 C ATOM 601 O PHE A 77 23.250 14.715 -10.650 1.00 15.73 O ATOM 602 CB PHE A 77 25.048 16.154 -12.249 1.00 20.56 C ATOM 603 CG PHE A 77 26.014 16.684 -13.284 1.00 24.03 C ATOM 604 CD1 PHE A 77 26.585 15.916 -14.130 1.00 27.87 C ATOM 605 CD2 PHE A 77 26.324 18.037 -13.250 1.00 28.00 C ATOM 606 CE1 PHE A 77 27.512 16.413 -15.071 1.00 29.65 C ATOM 607 CE2 PHE A 77 27.195 18.600 -14.181 1.00 30.95 C ATOM 608 CZ PHE A 77 27.788 17.778 -15.065 1.00 30.61 C ATOM 609 H PHE A 77 22.862 16.149 -14.698 1.00 0.00 H ATOM 610 N SER A 78 21.468 15.350 -11.769 1.00 14.76 N ATOM 611 CA SER A 78 20.638 15.051 -10.620 1.00 13.63 C ATOM 612 C SER A 78 20.737 13.605 -10.197 1.00 13.90 C ATOM 613 O SER A 78 20.687 12.686 -11.016 1.00 14.88 O ATOM 614 CB SER A 78 19.165 15.318 -10.965 1.00 13.99 C ATOM 615 OG SER A 78 18.403 15.062 -9.795 1.00 14.11 O ATOM 616 HG SER A 78 17.445 15.225 -9.984 1.00 0.00 H ATOM 617 H SER A 78 21.038 15.690 -12.653 1.00 0.00 H ATOM 618 N TRP A 79 20.906 13.429 -8.873 1.00 13.47 N ATOM 619 CA TRP A 79 20.989 12.086 -8.295 1.00 13.89 C ATOM 620 C TRP A 79 19.652 11.405 -8.200 1.00 16.15 C ATOM 621 O TRP A 79 19.604 10.193 -7.881 1.00 18.09 O ATOM 622 CB TRP A 79 21.637 12.173 -6.931 1.00 14.56 C ATOM 623 CG TRP A 79 23.024 12.663 -6.944 1.00 14.02 C ATOM 624 CD1 TRP A 79 24.063 12.213 -7.703 1.00 15.03 C ATOM 625 CD2 TRP A 79 23.564 13.651 -6.071 1.00 13.45 C ATOM 626 NE1 TRP A 79 25.232 12.909 -7.376 1.00 14.76 N ATOM 627 CE2 TRP A 79 24.933 13.795 -6.376 1.00 13.70 C ATOM 628 CE3 TRP A 79 23.008 14.495 -5.088 1.00 14.06 C ATOM 629 CZ2 TRP A 79 25.721 14.741 -5.711 1.00 13.93 C ATOM 630 CZ3 TRP A 79 23.789 15.348 -4.420 1.00 14.54 C ATOM 631 CH2 TRP A 79 25.134 15.453 -4.712 1.00 14.52 C ATOM 632 HE1 TRP A 79 26.165 12.776 -7.816 1.00 0.00 H ATOM 633 H TRP A 79 20.979 14.259 -8.251 1.00 0.00 H ATOM 634 N PHE A 80 18.565 12.108 -8.482 1.00 13.95 N ATOM 635 CA PHE A 80 17.227 11.590 -8.274 1.00 14.21 C ATOM 636 C PHE A 80 16.451 11.771 -9.566 1.00 13.92 C ATOM 637 O PHE A 80 16.185 12.921 -9.987 1.00 14.66 O ATOM 638 CB PHE A 80 16.509 12.276 -7.078 1.00 14.79 C ATOM 639 CG PHE A 80 17.231 12.046 -5.766 1.00 15.12 C ATOM 640 CD1 PHE A 80 17.008 10.897 -5.033 1.00 16.94 C ATOM 641 CD2 PHE A 80 18.117 12.931 -5.296 1.00 15.36 C ATOM 642 CE1 PHE A 80 17.575 10.697 -3.749 1.00 18.11 C ATOM 643 CE2 PHE A 80 18.766 12.719 -4.092 1.00 16.67 C ATOM 644 CZ PHE A 80 18.485 11.582 -3.327 1.00 17.61 C ATOM 645 H PHE A 80 18.676 13.068 -8.867 1.00 0.00 H ATOM 646 N LYS A 81 16.088 10.646 -10.201 1.00 15.84 N ATOM 647 CA LYS A 81 15.486 10.718 -11.521 1.00 16.09 C ATOM 648 C LYS A 81 14.183 11.487 -11.498 1.00 15.20 C ATOM 649 O LYS A 81 13.320 11.282 -10.689 1.00 16.60 O ATOM 650 CB LYS A 81 15.256 9.259 -12.025 1.00 19.26 C ATOM 651 CG LYS A 81 14.575 9.130 -13.384 1.00 22.57 C ATOM 652 CD LYS A 81 14.467 7.680 -13.850 1.00 26.30 C ATOM 653 H LYS A 81 16.238 9.722 -9.748 1.00 0.00 H ATOM 654 N GLY A 82 14.098 12.446 -12.444 1.00 14.91 N ATOM 655 CA GLY A 82 12.938 13.267 -12.599 1.00 14.43 C ATOM 656 C GLY A 82 12.885 14.498 -11.779 1.00 13.84 C ATOM 657 O GLY A 82 11.998 15.306 -11.907 1.00 14.90 O ATOM 658 H GLY A 82 14.905 12.593 -13.083 1.00 0.00 H ATOM 659 N TYR A 83 13.933 14.745 -10.952 1.00 13.18 N ATOM 660 CA TYR A 83 13.968 15.929 -10.111 1.00 12.79 C ATOM 661 C TYR A 83 15.050 16.886 -10.512 1.00 12.38 C ATOM 662 O TYR A 83 16.117 16.468 -10.922 1.00 14.39 O ATOM 663 CB TYR A 83 14.197 15.560 -8.654 1.00 12.01 C ATOM 664 CG TYR A 83 13.140 14.723 -8.023 1.00 11.67 C ATOM 665 CD1 TYR A 83 12.058 15.310 -7.385 1.00 12.13 C ATOM 666 CD2 TYR A 83 13.193 13.357 -8.055 1.00 12.82 C ATOM 667 CE1 TYR A 83 11.076 14.550 -6.824 1.00 12.22 C ATOM 668 CE2 TYR A 83 12.198 12.576 -7.478 1.00 13.08 C ATOM 669 CZ TYR A 83 11.160 13.161 -6.857 1.00 13.04 C ATOM 670 OH TYR A 83 10.186 12.369 -6.307 1.00 15.01 O ATOM 671 HH TYR A 83 9.494 12.941 -5.889 1.00 0.00 H ATOM 672 H TYR A 83 14.726 14.073 -10.920 1.00 0.00 H ATOM 673 N ASP A 84 14.763 18.166 -10.353 1.00 12.88 N ATOM 674 CA ASP A 84 15.695 19.244 -10.568 1.00 13.71 C ATOM 675 C ASP A 84 16.062 19.750 -9.188 1.00 13.96 C ATOM 676 O ASP A 84 15.248 19.673 -8.298 1.00 16.68 O ATOM 677 CB ASP A 84 15.052 20.343 -11.426 1.00 15.15 C ATOM 678 CG ASP A 84 14.296 19.669 -12.702 1.00 18.00 C ATOM 679 OD1 ASP A 84 15.125 19.052 -13.434 1.00 21.68 O ATOM 680 OD2 ASP A 84 13.013 19.666 -12.766 1.00 21.50 O ATOM 681 H ASP A 84 13.798 18.412 -10.052 1.00 0.00 H ATOM 682 N TRP A 85 17.236 20.294 -9.063 1.00 12.58 N ATOM 683 CA TRP A 85 17.768 20.690 -7.701 1.00 12.27 C ATOM 684 C TRP A 85 18.072 22.174 -7.675 1.00 12.51 C ATOM 685 O TRP A 85 18.462 22.790 -8.672 1.00 13.07 O ATOM 686 CB TRP A 85 18.985 19.885 -7.371 1.00 13.64 C ATOM 687 CG TRP A 85 20.069 19.864 -8.356 1.00 13.35 C ATOM 688 CD1 TRP A 85 20.301 18.934 -9.358 1.00 15.04 C ATOM 689 CD2 TRP A 85 21.095 20.837 -8.560 1.00 14.35 C ATOM 690 NE1 TRP A 85 21.348 19.279 -10.097 1.00 15.41 N ATOM 691 CE2 TRP A 85 21.859 20.471 -9.698 1.00 15.17 C ATOM 692 CE3 TRP A 85 21.485 22.013 -7.878 1.00 14.49 C ATOM 693 CZ2 TRP A 85 22.911 21.233 -10.140 1.00 15.83 C ATOM 694 CZ3 TRP A 85 22.561 22.730 -8.327 1.00 15.57 C ATOM 695 CH2 TRP A 85 23.300 22.331 -9.435 1.00 16.42 C ATOM 696 HE1 TRP A 85 21.728 18.710 -10.880 1.00 0.00 H ATOM 697 H TRP A 85 17.818 20.460 -9.909 1.00 0.00 H ATOM 698 N THR A 86 18.036 22.683 -6.448 1.00 12.52 N ATOM 699 CA THR A 86 18.483 24.023 -6.064 1.00 12.84 C ATOM 700 C THR A 86 19.422 23.793 -4.835 1.00 13.13 C ATOM 701 O THR A 86 19.076 22.995 -3.950 1.00 14.24 O ATOM 702 CB THR A 86 17.250 24.863 -5.685 1.00 13.88 C ATOM 703 OG1 THR A 86 16.499 24.962 -6.945 1.00 14.47 O ATOM 704 CG2 THR A 86 17.488 26.158 -5.343 1.00 14.78 C ATOM 705 HG1 THR A 86 16.255 24.054 -7.255 1.00 0.00 H ATOM 706 H THR A 86 17.657 22.076 -5.694 1.00 0.00 H ATOM 707 N ILE A 87 20.514 24.486 -4.783 1.00 11.52 N ATOM 708 CA ILE A 87 21.361 24.496 -3.544 1.00 11.85 C ATOM 709 C ILE A 87 20.576 24.996 -2.391 1.00 11.80 C ATOM 710 O ILE A 87 19.912 26.057 -2.487 1.00 13.46 O ATOM 711 CB ILE A 87 22.625 25.306 -3.852 1.00 14.03 C ATOM 712 CG1 ILE A 87 23.509 24.522 -4.832 1.00 16.70 C ATOM 713 CG2 ILE A 87 23.373 25.625 -2.576 1.00 15.36 C ATOM 714 CD1 ILE A 87 24.610 25.378 -5.446 1.00 20.19 C ATOM 715 H ILE A 87 20.808 25.043 -5.610 1.00 0.00 H ATOM 716 N ALA A 88 20.745 24.321 -1.266 1.00 10.59 N ATOM 717 CA ALA A 88 20.125 24.707 0.007 1.00 10.99 C ATOM 718 C ALA A 88 21.213 25.060 1.027 1.00 11.04 C ATOM 719 O ALA A 88 22.021 24.212 1.363 1.00 11.70 O ATOM 720 CB ALA A 88 19.270 23.627 0.512 1.00 11.64 C ATOM 721 H ALA A 88 21.348 23.474 -1.285 1.00 0.00 H ATOM 722 N LEU A 89 21.284 26.322 1.358 1.00 11.20 N ATOM 723 CA LEU A 89 22.202 26.802 2.380 1.00 11.37 C ATOM 724 C LEU A 89 21.482 26.925 3.678 1.00 11.57 C ATOM 725 O LEU A 89 20.278 27.202 3.695 1.00 12.00 O ATOM 726 CB LEU A 89 22.786 28.144 2.008 1.00 12.02 C ATOM 727 CG LEU A 89 23.495 28.241 0.628 1.00 12.93 C ATOM 728 CD1 LEU A 89 24.073 29.648 0.443 1.00 15.40 C ATOM 729 CD2 LEU A 89 24.553 27.184 0.483 1.00 13.50 C ATOM 730 H LEU A 89 20.665 27.005 0.876 1.00 0.00 H ATOM 731 N CYS A 90 22.189 26.785 4.784 1.00 10.99 N ATOM 732 CA CYS A 90 21.652 27.266 6.074 1.00 10.78 C ATOM 733 C CYS A 90 21.298 28.723 5.926 1.00 10.57 C ATOM 734 O CYS A 90 22.114 29.559 5.537 1.00 12.84 O ATOM 735 CB CYS A 90 22.689 27.095 7.144 1.00 9.99 C ATOM 736 SG CYS A 90 22.119 27.696 8.772 1.00 11.24 S ATOM 737 H CYS A 90 23.126 26.335 4.747 1.00 0.00 H ATOM 738 N GLY A 91 20.020 29.051 6.256 1.00 11.57 N ATOM 739 CA GLY A 91 19.611 30.415 6.140 1.00 12.21 C ATOM 740 C GLY A 91 20.172 31.340 7.129 1.00 12.76 C ATOM 741 O GLY A 91 20.050 32.584 6.940 1.00 15.22 O ATOM 742 H GLY A 91 19.354 28.324 6.586 1.00 0.00 H ATOM 743 N GLN A 92 20.799 30.837 8.172 1.00 11.69 N ATOM 744 CA GLN A 92 21.391 31.659 9.179 1.00 12.31 C ATOM 745 C GLN A 92 22.878 31.876 8.857 1.00 12.42 C ATOM 746 O GLN A 92 23.314 33.036 8.672 1.00 13.45 O ATOM 747 CB GLN A 92 21.167 31.022 10.540 1.00 12.32 C ATOM 748 CG GLN A 92 21.733 31.744 11.727 1.00 12.38 C ATOM 749 CD GLN A 92 21.094 31.330 13.040 1.00 12.69 C ATOM 750 OE1 GLN A 92 20.127 31.964 13.475 1.00 14.16 O ATOM 751 NE2 GLN A 92 21.528 30.249 13.620 1.00 12.85 N ATOM 752 HE22 GLN A 92 22.345 29.740 13.226 1.00 0.00 H ATOM 753 HE21 GLN A 92 21.058 29.894 14.477 1.00 0.00 H ATOM 754 H GLN A 92 20.866 29.803 8.266 1.00 0.00 H ATOM 755 N CYS A 93 23.640 30.794 8.722 1.00 12.20 N ATOM 756 CA CYS A 93 25.095 30.948 8.568 1.00 12.21 C ATOM 757 C CYS A 93 25.629 30.750 7.164 1.00 12.66 C ATOM 758 O CYS A 93 26.834 31.032 6.951 1.00 14.31 O ATOM 759 CB CYS A 93 25.846 30.064 9.499 1.00 11.90 C ATOM 760 SG CYS A 93 25.941 28.308 9.010 1.00 12.40 S ATOM 761 H CYS A 93 23.211 29.847 8.725 1.00 0.00 H ATOM 762 N GLY A 94 24.853 30.226 6.219 1.00 12.10 N ATOM 763 CA GLY A 94 25.324 30.009 4.873 1.00 12.16 C ATOM 764 C GLY A 94 26.000 28.706 4.620 1.00 12.51 C ATOM 765 O GLY A 94 26.361 28.456 3.454 1.00 13.44 O ATOM 766 H GLY A 94 23.875 29.964 6.458 1.00 0.00 H ATOM 767 N SER A 95 26.167 27.852 5.583 1.00 12.41 N ATOM 768 CA SER A 95 26.748 26.517 5.385 1.00 12.22 C ATOM 769 C SER A 95 25.929 25.767 4.327 1.00 12.03 C ATOM 770 O SER A 95 24.712 25.823 4.315 1.00 11.46 O ATOM 771 CB SER A 95 26.685 25.742 6.687 1.00 13.82 C ATOM 772 OG SER A 95 27.177 24.377 6.558 1.00 14.51 O ATOM 773 HG SER A 95 28.122 24.394 6.262 1.00 0.00 H ATOM 774 H SER A 95 25.875 28.126 6.543 1.00 0.00 H ATOM 775 N HIS A 96 26.610 25.081 3.425 1.00 12.00 N ATOM 776 CA HIS A 96 25.894 24.320 2.397 1.00 11.24 C ATOM 777 C HIS A 96 25.384 23.037 3.000 1.00 11.43 C ATOM 778 O HIS A 96 26.149 22.112 3.295 1.00 12.73 O ATOM 779 CB HIS A 96 26.794 24.026 1.227 1.00 12.08 C ATOM 780 CG HIS A 96 26.137 23.181 0.227 1.00 12.97 C ATOM 781 ND1 HIS A 96 26.888 22.387 -0.608 1.00 15.47 N ATOM 782 CD2 HIS A 96 24.832 23.026 -0.111 1.00 12.69 C ATOM 783 CE1 HIS A 96 26.017 21.759 -1.402 1.00 14.27 C ATOM 784 NE2 HIS A 96 24.773 22.145 -1.162 1.00 13.64 N ATOM 785 H HIS A 96 27.650 25.081 3.445 1.00 0.00 H ATOM 786 N LEU A 97 24.073 22.939 3.241 1.00 10.26 N ATOM 787 CA LEU A 97 23.469 21.830 3.902 1.00 11.14 C ATOM 788 C LEU A 97 22.904 20.755 3.007 1.00 11.08 C ATOM 789 O LEU A 97 22.740 19.613 3.423 1.00 11.94 O ATOM 790 CB LEU A 97 22.398 22.254 4.897 1.00 10.99 C ATOM 791 CG LEU A 97 22.918 23.101 6.062 1.00 12.08 C ATOM 792 CD1 LEU A 97 21.853 23.372 7.082 1.00 12.79 C ATOM 793 CD2 LEU A 97 24.127 22.544 6.750 1.00 13.37 C ATOM 794 H LEU A 97 23.458 23.717 2.928 1.00 0.00 H ATOM 795 N GLY A 98 22.661 21.087 1.740 1.00 11.31 N ATOM 796 CA GLY A 98 22.172 20.099 0.794 1.00 11.21 C ATOM 797 C GLY A 98 21.502 20.733 -0.384 1.00 10.43 C ATOM 798 O GLY A 98 21.978 21.751 -0.898 1.00 11.12 O ATOM 799 H GLY A 98 22.823 22.065 1.425 1.00 0.00 H ATOM 800 N TRP A 99 20.351 20.160 -0.758 1.00 10.43 N ATOM 801 CA TRP A 99 19.671 20.578 -1.996 1.00 10.30 C ATOM 802 C TRP A 99 18.184 20.393 -1.773 1.00 11.10 C ATOM 803 O TRP A 99 17.761 19.497 -1.063 1.00 11.65 O ATOM 804 CB TRP A 99 20.084 19.747 -3.207 1.00 11.64 C ATOM 805 CG TRP A 99 21.558 19.771 -3.477 1.00 11.49 C ATOM 806 CD1 TRP A 99 22.219 20.657 -4.293 1.00 13.36 C ATOM 807 CD2 TRP A 99 22.594 18.968 -2.826 1.00 13.02 C ATOM 808 NE1 TRP A 99 23.589 20.416 -4.199 1.00 14.39 N ATOM 809 CE2 TRP A 99 23.830 19.408 -3.315 1.00 13.38 C ATOM 810 CE3 TRP A 99 22.578 17.916 -1.914 1.00 14.14 C ATOM 811 CZ2 TRP A 99 25.038 18.791 -2.902 1.00 14.64 C ATOM 812 CZ3 TRP A 99 23.789 17.386 -1.474 1.00 14.73 C ATOM 813 CH2 TRP A 99 24.934 17.827 -1.970 1.00 14.48 C ATOM 814 HE1 TRP A 99 24.321 20.932 -4.728 1.00 0.00 H ATOM 815 H TRP A 99 19.933 19.412 -0.168 1.00 0.00 H ATOM 816 N HIS A 100 17.428 21.244 -2.449 1.00 11.28 N ATOM 817 CA HIS A 100 15.981 21.041 -2.563 1.00 10.89 C ATOM 818 C HIS A 100 15.678 20.491 -3.952 1.00 11.01 C ATOM 819 O HIS A 100 16.229 21.021 -4.948 1.00 12.77 O ATOM 820 CB HIS A 100 15.214 22.354 -2.390 1.00 12.50 C ATOM 821 CG HIS A 100 13.760 22.171 -2.320 1.00 13.97 C ATOM 822 ND1 HIS A 100 12.908 22.801 -3.221 1.00 18.12 N ATOM 823 CD2 HIS A 100 12.970 21.462 -1.467 1.00 14.47 C ATOM 824 CE1 HIS A 100 11.652 22.451 -2.914 1.00 17.03 C ATOM 825 NE2 HIS A 100 11.639 21.664 -1.875 1.00 17.05 N ATOM 826 H HIS A 100 17.867 22.069 -2.906 1.00 0.00 H ATOM 827 N TYR A 101 14.882 19.475 -3.989 1.00 10.30 N ATOM 828 CA TYR A 101 14.494 18.815 -5.268 1.00 10.14 C ATOM 829 C TYR A 101 13.045 19.091 -5.561 1.00 10.86 C ATOM 830 O TYR A 101 12.216 19.095 -4.676 1.00 12.51 O ATOM 831 CB TYR A 101 14.700 17.311 -5.151 1.00 10.13 C ATOM 832 CG TYR A 101 16.187 16.945 -5.090 1.00 10.37 C ATOM 833 CD1 TYR A 101 16.899 16.812 -6.272 1.00 11.34 C ATOM 834 CD2 TYR A 101 16.862 16.833 -3.891 1.00 10.87 C ATOM 835 CE1 TYR A 101 18.238 16.520 -6.255 1.00 11.71 C ATOM 836 CE2 TYR A 101 18.222 16.576 -3.874 1.00 10.85 C ATOM 837 CZ TYR A 101 18.874 16.451 -5.060 1.00 11.00 C ATOM 838 OH TYR A 101 20.270 16.134 -5.048 1.00 13.16 O ATOM 839 HH TYR A 101 20.602 16.077 -5.979 1.00 0.00 H ATOM 840 H TYR A 101 14.499 19.105 -3.096 1.00 0.00 H ATOM 841 N GLU A 102 12.784 19.392 -6.825 1.00 11.97 N ATOM 842 CA GLU A 102 11.386 19.674 -7.289 1.00 12.83 C ATOM 843 C GLU A 102 11.241 19.172 -8.724 1.00 12.83 C ATOM 844 O GLU A 102 12.169 18.676 -9.354 1.00 13.12 O ATOM 845 CB GLU A 102 11.135 21.167 -7.216 1.00 15.25 C ATOM 846 CG GLU A 102 11.949 22.008 -8.164 1.00 19.92 C ATOM 847 CD GLU A 102 11.860 23.522 -7.823 1.00 25.97 C ATOM 848 OE1 GLU A 102 10.898 24.083 -8.257 1.00 28.90 O ATOM 849 OE2 GLU A 102 12.789 24.086 -7.139 1.00 30.58 O ATOM 850 H GLU A 102 13.566 19.434 -7.510 1.00 0.00 H ATOM 851 N GLY A 103 10.001 19.233 -9.152 1.00 12.06 N ATOM 852 CA GLY A 103 9.701 18.950 -10.511 1.00 12.87 C ATOM 853 C GLY A 103 9.434 17.476 -10.834 1.00 12.78 C ATOM 854 O GLY A 103 9.278 17.119 -12.025 1.00 13.74 O ATOM 855 H GLY A 103 9.237 19.489 -8.494 1.00 0.00 H ATOM 856 N GLY A 104 9.436 16.639 -9.807 1.00 12.98 N ATOM 857 CA GLY A 104 9.299 15.198 -9.964 1.00 12.82 C ATOM 858 C GLY A 104 7.885 14.742 -9.604 1.00 13.70 C ATOM 859 O GLY A 104 6.915 15.436 -9.709 1.00 13.13 O ATOM 860 H GLY A 104 9.540 17.028 -8.848 1.00 0.00 H ATOM 861 N SER A 105 7.854 13.470 -9.174 1.00 14.25 N ATOM 862 CA SER A 105 6.585 12.764 -8.964 1.00 15.27 C ATOM 863 C SER A 105 6.666 11.917 -7.723 1.00 16.20 C ATOM 864 O SER A 105 7.633 11.168 -7.529 1.00 17.58 O ATOM 865 CB SER A 105 6.246 11.925 -10.107 1.00 16.17 C ATOM 866 OG SER A 105 6.203 12.655 -11.351 1.00 17.10 O ATOM 867 HG SER A 105 5.969 12.036 -12.087 1.00 0.00 H ATOM 868 H SER A 105 8.749 12.975 -8.986 1.00 0.00 H ATOM 869 N GLN A 106 5.644 12.043 -6.879 1.00 16.75 N ATOM 870 CA GLN A 106 5.456 11.167 -5.714 1.00 17.38 C ATOM 871 C GLN A 106 6.707 10.964 -4.846 1.00 17.12 C ATOM 872 O GLN A 106 7.202 9.832 -4.732 1.00 19.41 O ATOM 873 CB GLN A 106 4.828 9.829 -6.163 1.00 18.78 C ATOM 874 CG GLN A 106 4.207 9.096 -4.930 1.00 22.57 C ATOM 875 CD GLN A 106 3.299 7.962 -5.201 1.00 24.92 C ATOM 876 OE1 GLN A 106 2.923 7.683 -6.307 1.00 27.68 O ATOM 877 NE2 GLN A 106 2.842 7.334 -4.138 1.00 27.33 N ATOM 878 HE22 GLN A 106 3.185 7.596 -3.192 1.00 0.00 H ATOM 879 HE21 GLN A 106 2.138 6.576 -4.244 1.00 0.00 H ATOM 880 H GLN A 106 4.947 12.795 -7.052 1.00 0.00 H ATOM 881 N PRO A 107 7.221 12.017 -4.239 1.00 15.06 N ATOM 882 CA PRO A 107 6.669 13.342 -4.177 1.00 14.85 C ATOM 883 C PRO A 107 7.108 14.267 -5.307 1.00 14.70 C ATOM 884 O PRO A 107 8.131 14.032 -5.949 1.00 13.90 O ATOM 885 CB PRO A 107 7.162 13.818 -2.817 1.00 16.12 C ATOM 886 CG PRO A 107 8.493 13.270 -2.760 1.00 15.24 C ATOM 887 CD PRO A 107 8.367 11.910 -3.304 1.00 15.65 C ATOM 888 N GLN A 108 6.430 15.373 -5.412 1.00 14.05 N ATOM 889 CA GLN A 108 6.891 16.401 -6.354 1.00 13.77 C ATOM 890 C GLN A 108 8.209 17.018 -5.886 1.00 12.89 C ATOM 891 O GLN A 108 9.001 17.438 -6.723 1.00 13.51 O ATOM 892 CB GLN A 108 5.833 17.458 -6.541 1.00 14.64 C ATOM 893 CG GLN A 108 4.614 16.969 -7.350 1.00 16.01 C ATOM 894 CD GLN A 108 3.552 17.991 -7.488 1.00 18.80 C ATOM 895 OE1 GLN A 108 3.236 18.651 -6.560 1.00 21.67 O ATOM 896 NE2 GLN A 108 3.051 18.185 -8.689 1.00 20.36 N ATOM 897 HE22 GLN A 108 3.353 17.584 -9.482 1.00 0.00 H ATOM 898 HE21 GLN A 108 2.353 18.940 -8.845 1.00 0.00 H ATOM 899 H GLN A 108 5.576 15.526 -4.838 1.00 0.00 H ATOM 900 N THR A 109 8.335 17.163 -4.561 1.00 13.18 N ATOM 901 CA THR A 109 9.447 17.847 -3.954 1.00 13.81 C ATOM 902 C THR A 109 9.960 17.147 -2.719 1.00 13.46 C ATOM 903 O THR A 109 9.224 16.454 -2.089 1.00 15.33 O ATOM 904 CB THR A 109 9.092 19.290 -3.631 1.00 16.02 C ATOM 905 OG1 THR A 109 8.200 19.284 -2.499 1.00 18.41 O ATOM 906 CG2 THR A 109 8.463 19.994 -4.682 1.00 16.15 C ATOM 907 HG1 THR A 109 7.384 18.772 -2.726 1.00 0.00 H ATOM 908 H THR A 109 7.598 16.765 -3.944 1.00 0.00 H ATOM 909 N PHE A 110 11.241 17.349 -2.400 1.00 11.54 N ATOM 910 CA PHE A 110 11.806 16.888 -1.135 1.00 11.50 C ATOM 911 C PHE A 110 13.161 17.572 -0.945 1.00 10.65 C ATOM 912 O PHE A 110 13.639 18.259 -1.837 1.00 11.38 O ATOM 913 CB PHE A 110 11.938 15.362 -1.079 1.00 12.50 C ATOM 914 CG PHE A 110 12.928 14.783 -2.002 1.00 12.49 C ATOM 915 CD1 PHE A 110 12.655 14.559 -3.363 1.00 12.97 C ATOM 916 CD2 PHE A 110 14.190 14.523 -1.591 1.00 13.41 C ATOM 917 CE1 PHE A 110 13.655 14.104 -4.253 1.00 14.19 C ATOM 918 CE2 PHE A 110 15.161 14.058 -2.471 1.00 13.78 C ATOM 919 CZ PHE A 110 14.887 13.832 -3.774 1.00 13.26 C ATOM 920 H PHE A 110 11.855 17.850 -3.073 1.00 0.00 H ATOM 921 N PHE A 111 13.762 17.355 0.225 1.00 10.38 N ATOM 922 CA PHE A 111 15.106 17.857 0.498 1.00 10.22 C ATOM 923 C PHE A 111 16.094 16.717 0.638 1.00 11.15 C ATOM 924 O PHE A 111 15.792 15.726 1.279 1.00 11.53 O ATOM 925 CB PHE A 111 15.069 18.628 1.840 1.00 11.27 C ATOM 926 CG PHE A 111 14.344 19.908 1.807 1.00 12.29 C ATOM 927 CD1 PHE A 111 12.971 19.869 2.012 1.00 13.71 C ATOM 928 CD2 PHE A 111 14.936 21.099 1.566 1.00 13.49 C ATOM 929 CE1 PHE A 111 12.241 21.020 2.016 1.00 14.85 C ATOM 930 CE2 PHE A 111 14.160 22.302 1.564 1.00 15.32 C ATOM 931 CZ PHE A 111 12.856 22.224 1.758 1.00 14.92 C ATOM 932 H PHE A 111 13.262 16.816 0.960 1.00 0.00 H ATOM 933 N GLY A 112 17.275 16.887 0.080 1.00 10.30 N ATOM 934 CA GLY A 112 18.392 15.979 0.325 1.00 10.78 C ATOM 935 C GLY A 112 19.463 16.687 1.096 1.00 10.78 C ATOM 936 O GLY A 112 20.052 17.658 0.563 1.00 12.06 O ATOM 937 H GLY A 112 17.417 17.696 -0.557 1.00 0.00 H ATOM 938 N LEU A 113 19.617 16.340 2.366 1.00 10.38 N ATOM 939 CA LEU A 113 20.537 17.092 3.238 1.00 11.03 C ATOM 940 C LEU A 113 21.757 16.210 3.569 1.00 10.82 C ATOM 941 O LEU A 113 21.671 14.977 3.714 1.00 12.94 O ATOM 942 CB LEU A 113 19.844 17.507 4.524 1.00 11.35 C ATOM 943 CG LEU A 113 18.617 18.383 4.297 1.00 11.54 C ATOM 944 CD1 LEU A 113 18.013 18.731 5.658 1.00 12.35 C ATOM 945 CD2 LEU A 113 18.925 19.633 3.493 1.00 12.71 C ATOM 946 H LEU A 113 19.086 15.532 2.749 1.00 0.00 H ATOM 947 N ILE A 114 22.875 16.825 3.729 1.00 11.64 N ATOM 948 CA ILE A 114 24.153 16.164 3.982 1.00 11.90 C ATOM 949 C ILE A 114 24.253 15.835 5.446 1.00 11.65 C ATOM 950 O ILE A 114 24.324 16.692 6.325 1.00 12.85 O ATOM 951 CB ILE A 114 25.300 17.048 3.526 1.00 11.84 C ATOM 952 CG1 ILE A 114 25.226 17.378 2.045 1.00 11.91 C ATOM 953 CG2 ILE A 114 26.619 16.331 3.805 1.00 12.98 C ATOM 954 CD1 ILE A 114 25.958 18.587 1.646 1.00 13.28 C ATOM 955 H ILE A 114 22.869 17.864 3.675 1.00 0.00 H ATOM 956 N LYS A 115 24.220 14.533 5.779 1.00 12.90 N ATOM 957 CA LYS A 115 24.000 14.097 7.147 1.00 13.05 C ATOM 958 C LYS A 115 24.994 14.674 8.123 1.00 12.84 C ATOM 959 O LYS A 115 24.676 15.090 9.241 1.00 14.94 O ATOM 960 CB LYS A 115 23.969 12.575 7.165 1.00 15.88 C ATOM 961 CG LYS A 115 23.652 11.925 8.454 1.00 20.53 C ATOM 962 CD LYS A 115 24.769 11.517 9.297 1.00 22.16 C ATOM 963 CE LYS A 115 24.285 10.501 10.364 1.00 24.33 C ATOM 964 NZ LYS A 115 25.205 10.062 11.514 1.00 19.91 N ATOM 965 HZ1 LYS A 115 26.058 9.614 11.122 1.00 0.00 H ATOM 966 HZ2 LYS A 115 25.476 10.894 12.077 1.00 0.00 H ATOM 967 HZ3 LYS A 115 24.702 9.382 12.119 1.00 0.00 H ATOM 968 H LYS A 115 24.356 13.818 5.036 1.00 0.00 H ATOM 969 N ASP A 116 26.282 14.664 7.742 1.00 12.65 N ATOM 970 CA ASP A 116 27.361 15.085 8.616 1.00 13.39 C ATOM 971 C ASP A 116 27.479 16.597 8.774 1.00 12.22 C ATOM 972 O ASP A 116 28.324 17.082 9.580 1.00 14.04 O ATOM 973 CB ASP A 116 28.745 14.484 8.196 1.00 13.91 C ATOM 974 CG ASP A 116 29.003 14.690 6.757 1.00 15.97 C ATOM 975 OD1 ASP A 116 28.260 14.105 5.971 1.00 19.19 O ATOM 976 OD2 ASP A 116 30.070 15.192 6.428 1.00 19.10 O ATOM 977 H ASP A 116 26.515 14.341 6.781 1.00 0.00 H ATOM 978 N ARG A 117 26.604 17.358 8.101 1.00 11.19 N ATOM 979 CA ARG A 117 26.532 18.794 8.283 1.00 11.39 C ATOM 980 C ARG A 117 25.437 19.208 9.191 1.00 11.28 C ATOM 981 O ARG A 117 25.155 20.432 9.380 1.00 11.83 O ATOM 982 CB ARG A 117 26.477 19.445 6.904 1.00 13.99 C ATOM 983 CG ARG A 117 27.736 19.090 6.069 1.00 14.96 C ATOM 984 CD ARG A 117 27.821 19.899 4.775 1.00 16.15 C ATOM 985 NE ARG A 117 28.926 19.430 3.981 1.00 16.08 N ATOM 986 CZ ARG A 117 29.266 19.978 2.807 1.00 17.73 C ATOM 987 NH1 ARG A 117 28.661 21.054 2.408 1.00 18.32 N ATOM 988 NH2 ARG A 117 30.286 19.473 2.098 1.00 18.69 N ATOM 989 HE ARG A 117 29.486 18.629 4.335 1.00 0.00 H ATOM 990 HH12 ARG A 117 28.917 21.488 1.498 1.00 0.00 H ATOM 991 HH11 ARG A 117 27.920 21.483 2.998 1.00 0.00 H ATOM 992 HH22 ARG A 117 30.548 19.900 1.187 1.00 0.00 H ATOM 993 HH21 ARG A 117 30.815 18.654 2.459 1.00 0.00 H ATOM 994 H ARG A 117 25.956 16.903 7.427 1.00 0.00 H ATOM 995 N LEU A 118 24.735 18.241 9.774 1.00 11.62 N ATOM 996 CA LEU A 118 23.627 18.469 10.718 1.00 10.79 C ATOM 997 C LEU A 118 24.042 17.929 12.088 1.00 12.07 C ATOM 998 O LEU A 118 24.839 16.982 12.169 1.00 13.51 O ATOM 999 CB LEU A 118 22.370 17.752 10.263 1.00 11.53 C ATOM 1000 CG LEU A 118 21.883 18.133 8.848 1.00 12.64 C ATOM 1001 CD1 LEU A 118 20.762 17.163 8.462 1.00 14.27 C ATOM 1002 CD2 LEU A 118 21.433 19.582 8.795 1.00 13.84 C ATOM 1003 H LEU A 118 24.985 17.257 9.548 1.00 0.00 H ATOM 1004 N ALA A 119 23.456 18.454 13.142 1.00 11.27 N ATOM 1005 CA ALA A 119 23.551 17.920 14.510 1.00 11.35 C ATOM 1006 C ALA A 119 22.185 17.485 14.975 1.00 11.40 C ATOM 1007 O ALA A 119 21.221 18.274 14.770 1.00 11.83 O ATOM 1008 CB ALA A 119 24.091 18.929 15.415 1.00 11.92 C ATOM 1009 H ALA A 119 22.883 19.310 12.998 1.00 0.00 H ATOM 1010 N GLU A 120 22.061 16.322 15.546 1.00 12.22 N ATOM 1011 CA GLU A 120 20.761 15.806 15.980 1.00 13.56 C ATOM 1012 C GLU A 120 20.612 15.924 17.510 1.00 13.18 C ATOM 1013 O GLU A 120 21.549 15.642 18.207 1.00 13.70 O ATOM 1014 CB GLU A 120 20.606 14.315 15.543 1.00 16.60 C ATOM 1015 CG GLU A 120 19.154 13.850 15.604 1.00 20.63 C ATOM 1016 CD GLU A 120 18.911 12.453 15.025 1.00 23.69 C ATOM 1017 OE1 GLU A 120 19.911 11.817 14.570 1.00 26.31 O ATOM 1018 OE2 GLU A 120 17.699 12.104 15.057 1.00 27.23 O ATOM 1019 H GLU A 120 22.911 15.742 15.699 1.00 0.00 H ATOM 1020 N GLY A 121 19.391 16.258 17.962 1.00 13.41 N ATOM 1021 CA GLY A 121 19.269 16.464 19.407 1.00 13.93 C ATOM 1022 C GLY A 121 17.814 16.615 19.773 1.00 14.95 C ATOM 1023 O GLY A 121 16.877 16.328 19.002 1.00 14.92 O ATOM 1024 H GLY A 121 18.578 16.364 17.322 1.00 0.00 H ATOM 1025 N PRO A 122 17.592 17.003 21.017 1.00 15.92 N ATOM 1026 CA PRO A 122 16.244 17.091 21.550 1.00 17.37 C ATOM 1027 C PRO A 122 15.346 18.134 20.912 1.00 19.40 C ATOM 1028 O PRO A 122 15.788 19.051 20.258 1.00 22.52 O ATOM 1029 CB PRO A 122 16.466 17.458 22.994 1.00 18.96 C ATOM 1030 CG PRO A 122 17.863 17.701 23.209 1.00 18.62 C ATOM 1031 CD PRO A 122 18.604 17.348 22.014 1.00 17.22 C ATOM 1032 N ALA A 123 14.052 17.989 21.099 1.00 21.61 N ATOM 1033 CA ALA A 123 12.993 18.825 20.545 1.00 24.06 C ATOM 1034 C ALA A 123 12.985 20.234 21.154 1.00 29.37 C ATOM 1035 O ALA A 123 13.526 20.453 22.197 1.00 27.64 O ATOM 1036 CB ALA A 123 11.665 18.168 20.804 1.00 27.79 C ATOM 1037 H ALA A 123 13.754 17.197 21.704 1.00 0.00 H ATOM 1038 N ASP A 124 12.309 21.163 20.503 1.00 36.04 N ATOM 1039 CA ASP A 124 12.224 22.549 21.035 1.00 41.02 C ATOM 1040 C ASP A 124 10.789 22.766 21.500 1.00 47.08 C ATOM 1041 O ASP A 124 10.077 21.784 21.771 1.00 49.69 O ATOM 1042 CB ASP A 124 12.749 23.601 20.039 1.00 43.64 C ATOM 1043 CG ASP A 124 12.045 23.556 18.702 1.00 43.58 C ATOM 1044 OD1 ASP A 124 11.047 22.796 18.576 1.00 44.90 O ATOM 1045 OD2 ASP A 124 12.515 24.237 17.745 1.00 44.28 O ATOM 1046 OXT ASP A 124 10.331 23.893 21.705 1.00 50.46 O ATOM 1047 H ASP A 124 11.832 20.923 19.611 1.00 0.00 H TER 1048 ASP A 124 ATOM 1049 N MET B 13 44.600 -14.418 7.307 1.00 32.48 N ATOM 1050 CA MET B 13 44.257 -14.853 8.700 1.00 31.39 C ATOM 1051 C MET B 13 44.612 -13.693 9.574 1.00 31.54 C ATOM 1052 O MET B 13 45.538 -12.948 9.273 1.00 32.11 O ATOM 1053 CB MET B 13 45.052 -16.127 9.036 1.00 31.97 C ATOM 1054 HN3 MET B 13 45.615 -14.196 7.254 1.00 0.00 H ATOM 1055 HN2 MET B 13 44.046 -13.572 7.063 1.00 0.00 H ATOM 1056 HN1 MET B 13 44.376 -15.185 6.641 1.00 0.00 H ATOM 1057 N VAL B 14 43.899 -13.540 10.690 1.00 28.05 N ATOM 1058 CA VAL B 14 44.047 -12.448 11.646 1.00 27.19 C ATOM 1059 C VAL B 14 44.452 -13.057 12.996 1.00 27.54 C ATOM 1060 O VAL B 14 43.863 -14.095 13.424 1.00 27.03 O ATOM 1061 CB VAL B 14 42.733 -11.656 11.731 1.00 26.77 C ATOM 1062 CG1 VAL B 14 42.811 -10.566 12.772 1.00 25.44 C ATOM 1063 CG2 VAL B 14 42.394 -11.037 10.372 1.00 29.01 C ATOM 1064 H VAL B 14 43.177 -14.259 10.896 1.00 0.00 H ATOM 1065 N LEU B 15 45.602 -12.589 13.542 1.00 27.18 N ATOM 1066 CA LEU B 15 46.188 -13.220 14.716 1.00 26.96 C ATOM 1067 C LEU B 15 46.013 -12.364 15.943 1.00 26.58 C ATOM 1068 O LEU B 15 46.298 -12.841 17.047 1.00 28.37 O ATOM 1069 CB LEU B 15 47.686 -13.563 14.514 1.00 28.00 C ATOM 1070 CG LEU B 15 47.889 -14.719 13.516 1.00 29.69 C ATOM 1071 CD1 LEU B 15 49.381 -15.154 13.518 1.00 29.94 C ATOM 1072 CD2 LEU B 15 47.035 -15.947 13.697 1.00 31.80 C ATOM 1073 H LEU B 15 46.073 -11.766 13.115 1.00 0.00 H ATOM 1074 N ALA B 16 45.565 -11.133 15.757 1.00 28.18 N ATOM 1075 CA ALA B 16 45.572 -10.133 16.823 1.00 29.14 C ATOM 1076 C ALA B 16 44.570 -9.070 16.516 1.00 29.71 C ATOM 1077 O ALA B 16 44.048 -9.049 15.403 1.00 30.41 O ATOM 1078 CB ALA B 16 46.952 -9.506 16.904 1.00 30.94 C ATOM 1079 H ALA B 16 45.196 -10.868 14.822 1.00 0.00 H ATOM 1080 N PRO B 17 44.411 -8.108 17.442 1.00 29.91 N ATOM 1081 CA PRO B 17 43.546 -7.000 17.144 1.00 29.86 C ATOM 1082 C PRO B 17 44.153 -6.105 16.089 1.00 30.47 C ATOM 1083 O PRO B 17 45.371 -6.167 15.752 1.00 28.48 O ATOM 1084 CB PRO B 17 43.447 -6.252 18.482 1.00 31.11 C ATOM 1085 CG PRO B 17 43.853 -7.222 19.486 1.00 31.43 C ATOM 1086 CD PRO B 17 44.901 -8.057 18.833 1.00 32.14 C ATOM 1087 N GLY B 18 43.337 -5.185 15.628 1.00 28.25 N ATOM 1088 CA GLY B 18 43.807 -4.117 14.696 1.00 31.37 C ATOM 1089 C GLY B 18 45.047 -3.436 15.241 1.00 29.91 C ATOM 1090 O GLY B 18 45.300 -3.432 16.463 1.00 31.76 O ATOM 1091 H GLY B 18 42.339 -5.201 15.919 1.00 0.00 H ATOM 1092 N ALA B 19 45.855 -2.897 14.338 1.00 31.91 N ATOM 1093 CA ALA B 19 47.048 -2.262 14.753 1.00 34.04 C ATOM 1094 C ALA B 19 46.772 -0.912 15.295 1.00 34.09 C ATOM 1095 O ALA B 19 47.797 -0.379 15.690 1.00 39.93 O ATOM 1096 CB ALA B 19 48.098 -2.218 13.617 1.00 36.72 C ATOM 1097 H ALA B 19 45.612 -2.941 13.328 1.00 0.00 H ATOM 1098 N SER B 20 45.511 -0.408 15.308 1.00 32.19 N ATOM 1099 CA SER B 20 45.288 0.868 15.891 1.00 27.04 C ATOM 1100 C SER B 20 44.302 0.941 17.108 1.00 24.93 C ATOM 1101 O SER B 20 43.173 0.334 17.165 1.00 27.57 O ATOM 1102 CB SER B 20 44.973 1.980 14.925 1.00 28.39 C ATOM 1103 OG SER B 20 43.731 2.072 14.583 1.00 23.22 O ATOM 1104 HG SER B 20 43.179 2.232 15.389 1.00 0.00 H ATOM 1105 H SER B 20 44.722 -0.947 14.898 1.00 0.00 H ATOM 1106 N ILE B 21 44.636 1.934 17.941 1.00 19.37 N ATOM 1107 CA ILE B 21 43.922 2.148 19.165 1.00 16.50 C ATOM 1108 C ILE B 21 43.610 3.601 19.279 1.00 14.75 C ATOM 1109 O ILE B 21 44.239 4.493 18.623 1.00 17.37 O ATOM 1110 CB ILE B 21 44.680 1.688 20.399 1.00 19.39 C ATOM 1111 CG1 ILE B 21 46.002 2.277 20.542 1.00 21.87 C ATOM 1112 CG2 ILE B 21 44.779 0.116 20.402 1.00 20.66 C ATOM 1113 CD1 ILE B 21 46.669 1.782 21.774 1.00 25.41 C ATOM 1114 H ILE B 21 45.428 2.562 17.696 1.00 0.00 H ATOM 1115 N PHE B 22 42.639 3.944 20.111 1.00 11.47 N ATOM 1116 CA PHE B 22 42.302 5.314 20.470 1.00 11.25 C ATOM 1117 C PHE B 22 42.741 5.555 21.895 1.00 11.82 C ATOM 1118 O PHE B 22 42.327 4.846 22.841 1.00 12.42 O ATOM 1119 CB PHE B 22 40.793 5.541 20.319 1.00 11.31 C ATOM 1120 CG PHE B 22 40.333 5.541 18.913 1.00 11.98 C ATOM 1121 CD1 PHE B 22 39.996 4.402 18.288 1.00 12.84 C ATOM 1122 CD2 PHE B 22 40.260 6.725 18.244 1.00 13.42 C ATOM 1123 CE1 PHE B 22 39.566 4.442 16.918 1.00 13.73 C ATOM 1124 CE2 PHE B 22 39.831 6.788 16.899 1.00 14.56 C ATOM 1125 CZ PHE B 22 39.492 5.622 16.305 1.00 13.42 C ATOM 1126 H PHE B 22 42.077 3.180 20.539 1.00 0.00 H ATOM 1127 N ARG B 23 43.573 6.576 22.050 1.00 12.18 N ATOM 1128 CA ARG B 23 44.074 6.934 23.376 1.00 12.61 C ATOM 1129 C ARG B 23 43.444 8.240 23.775 1.00 12.55 C ATOM 1130 O ARG B 23 43.007 9.076 22.942 1.00 14.11 O ATOM 1131 CB ARG B 23 45.568 7.026 23.343 1.00 13.69 C ATOM 1132 CG ARG B 23 46.233 5.712 23.113 1.00 14.58 C ATOM 1133 CD ARG B 23 47.763 5.926 23.061 1.00 15.53 C ATOM 1134 NE ARG B 23 48.526 4.700 22.895 1.00 17.73 N ATOM 1135 CZ ARG B 23 48.900 3.918 23.885 1.00 19.27 C ATOM 1136 NH1 ARG B 23 48.486 4.080 25.197 1.00 17.57 N ATOM 1137 NH2 ARG B 23 49.605 2.847 23.517 1.00 22.24 N ATOM 1138 HE ARG B 23 48.794 4.422 21.929 1.00 0.00 H ATOM 1139 HH12 ARG B 23 48.820 3.425 25.932 1.00 0.00 H ATOM 1140 HH11 ARG B 23 47.841 4.857 25.447 1.00 0.00 H ATOM 1141 HH22 ARG B 23 49.942 2.174 24.235 1.00 0.00 H ATOM 1142 HH21 ARG B 23 49.818 2.685 22.512 1.00 0.00 H ATOM 1143 H ARG B 23 43.872 7.127 21.220 1.00 0.00 H ATOM 1144 N CYS B 24 43.389 8.501 25.094 1.00 12.08 N ATOM 1145 CA CYS B 24 43.018 9.806 25.565 1.00 12.41 C ATOM 1146 C CYS B 24 43.970 10.833 25.040 1.00 14.59 C ATOM 1147 O CYS B 24 45.188 10.683 25.198 1.00 14.64 O ATOM 1148 CB CYS B 24 43.089 9.753 27.122 1.00 13.35 C ATOM 1149 SG CYS B 24 42.854 11.360 27.890 1.00 14.79 S ATOM 1150 H CYS B 24 43.617 7.751 25.778 1.00 0.00 H ATOM 1151 N ARG B 25 43.460 11.872 24.409 1.00 14.71 N ATOM 1152 CA ARG B 25 44.350 12.869 23.783 1.00 17.12 C ATOM 1153 C ARG B 25 45.146 13.598 24.869 1.00 17.98 C ATOM 1154 O ARG B 25 46.276 14.056 24.588 1.00 19.20 O ATOM 1155 CB ARG B 25 43.511 13.798 22.951 1.00 18.79 C ATOM 1156 CG ARG B 25 44.345 14.910 22.298 1.00 22.01 C ATOM 1157 CD ARG B 25 43.420 15.656 21.318 1.00 24.28 C ATOM 1158 NE ARG B 25 43.155 14.859 20.171 1.00 30.28 N ATOM 1159 CZ ARG B 25 43.987 14.658 19.135 1.00 32.59 C ATOM 1160 NH1 ARG B 25 45.181 15.215 19.120 1.00 36.84 N ATOM 1161 NH2 ARG B 25 43.634 13.909 18.116 1.00 30.24 N ATOM 1162 HE ARG B 25 42.229 14.387 20.130 1.00 0.00 H ATOM 1163 HH12 ARG B 25 45.819 15.055 18.315 1.00 0.00 H ATOM 1164 HH11 ARG B 25 45.485 15.815 19.913 1.00 0.00 H ATOM 1165 HH22 ARG B 25 44.292 13.765 17.324 1.00 0.00 H ATOM 1166 HH21 ARG B 25 42.696 13.459 18.101 1.00 0.00 H ATOM 1167 H ARG B 25 42.428 11.989 24.352 1.00 0.00 H ATOM 1168 N GLN B 26 44.587 13.741 26.067 1.00 17.09 N ATOM 1169 CA GLN B 26 45.282 14.494 27.133 1.00 18.72 C ATOM 1170 C GLN B 26 46.331 13.755 27.886 1.00 19.24 C ATOM 1171 O GLN B 26 47.410 14.353 28.124 1.00 23.26 O ATOM 1172 CB GLN B 26 44.233 15.022 28.106 1.00 20.76 C ATOM 1173 CG GLN B 26 44.650 15.792 29.377 1.00 25.19 C ATOM 1174 CD GLN B 26 43.400 16.399 30.093 1.00 29.46 C ATOM 1175 OE1 GLN B 26 43.192 16.232 31.287 1.00 37.88 O ATOM 1176 NE2 GLN B 26 42.549 17.051 29.329 1.00 36.85 N ATOM 1177 HE22 GLN B 26 42.751 17.178 28.317 1.00 0.00 H ATOM 1178 HE21 GLN B 26 41.675 17.439 29.738 1.00 0.00 H ATOM 1179 H GLN B 26 43.655 13.320 26.255 1.00 0.00 H ATOM 1180 N CYS B 27 46.182 12.459 28.138 1.00 16.22 N ATOM 1181 CA CYS B 27 47.222 11.737 28.893 1.00 16.56 C ATOM 1182 C CYS B 27 47.772 10.476 28.225 1.00 16.06 C ATOM 1183 O CYS B 27 48.799 9.932 28.736 1.00 17.58 O ATOM 1184 CB CYS B 27 46.779 11.376 30.269 1.00 16.79 C ATOM 1185 SG CYS B 27 45.597 9.907 30.316 1.00 16.50 S ATOM 1186 H CYS B 27 45.335 11.956 27.804 1.00 0.00 H ATOM 1187 N GLY B 28 47.196 10.057 27.120 1.00 14.75 N ATOM 1188 CA GLY B 28 47.669 8.875 26.486 1.00 15.21 C ATOM 1189 C GLY B 28 47.177 7.541 26.885 1.00 14.26 C ATOM 1190 O GLY B 28 47.509 6.567 26.257 1.00 15.90 O ATOM 1191 H GLY B 28 46.399 10.587 26.712 1.00 0.00 H ATOM 1192 N GLN B 29 46.347 7.446 27.905 1.00 15.90 N ATOM 1193 CA GLN B 29 45.825 6.158 28.368 1.00 16.97 C ATOM 1194 C GLN B 29 45.043 5.535 27.182 1.00 15.79 C ATOM 1195 O GLN B 29 44.270 6.257 26.498 1.00 14.25 O ATOM 1196 CB GLN B 29 44.848 6.307 29.471 1.00 18.29 C ATOM 1197 CG GLN B 29 44.594 4.908 30.082 1.00 21.56 C ATOM 1198 CD GLN B 29 43.778 4.911 31.269 1.00 21.48 C ATOM 1199 OE1 GLN B 29 43.897 4.019 32.126 1.00 23.26 O ATOM 1200 NE2 GLN B 29 42.685 5.734 31.228 1.00 22.10 N ATOM 1201 HE22 GLN B 29 42.616 6.471 30.497 1.00 0.00 H ATOM 1202 HE21 GLN B 29 41.923 5.622 31.927 1.00 0.00 H ATOM 1203 H GLN B 29 46.053 8.314 28.397 1.00 0.00 H ATOM 1204 N THR B 30 45.199 4.257 26.904 1.00 16.32 N ATOM 1205 CA THR B 30 44.406 3.558 25.998 1.00 15.66 C ATOM 1206 C THR B 30 42.946 3.506 26.449 1.00 14.15 C ATOM 1207 O THR B 30 42.663 3.174 27.595 1.00 15.61 O ATOM 1208 CB THR B 30 44.905 2.113 25.844 1.00 17.32 C ATOM 1209 OG1 THR B 30 46.263 2.216 25.285 1.00 20.57 O ATOM 1210 CG2 THR B 30 44.101 1.293 24.913 1.00 19.31 C ATOM 1211 HG1 THR B 30 46.638 1.308 25.163 1.00 0.00 H ATOM 1212 H THR B 30 45.959 3.740 27.390 1.00 0.00 H ATOM 1213 N ILE B 31 42.057 3.866 25.548 1.00 11.70 N ATOM 1214 CA ILE B 31 40.608 3.922 25.808 1.00 11.08 C ATOM 1215 C ILE B 31 39.835 2.963 24.980 1.00 11.68 C ATOM 1216 O ILE B 31 38.960 2.247 25.500 1.00 12.07 O ATOM 1217 CB ILE B 31 40.086 5.345 25.624 1.00 11.72 C ATOM 1218 CG1 ILE B 31 40.801 6.326 26.469 1.00 12.76 C ATOM 1219 CG2 ILE B 31 38.569 5.432 25.842 1.00 11.92 C ATOM 1220 CD1 ILE B 31 40.684 6.158 27.954 1.00 12.81 C ATOM 1221 H ILE B 31 42.396 4.125 24.600 1.00 0.00 H ATOM 1222 N SER B 32 40.000 2.930 23.653 1.00 11.16 N ATOM 1223 CA SER B 32 39.239 1.987 22.854 1.00 11.33 C ATOM 1224 C SER B 32 40.006 1.645 21.604 1.00 12.07 C ATOM 1225 O SER B 32 41.223 1.892 21.516 1.00 12.33 O ATOM 1226 CB SER B 32 37.820 2.525 22.574 1.00 11.19 C ATOM 1227 OG SER B 32 36.988 1.498 22.085 1.00 11.98 O ATOM 1228 HG SER B 32 36.930 0.774 22.757 1.00 0.00 H ATOM 1229 H SER B 32 40.672 3.578 23.195 1.00 0.00 H ATOM 1230 N ARG B 33 39.360 0.967 20.672 1.00 13.21 N ATOM 1231 CA ARG B 33 40.058 0.392 19.536 1.00 14.78 C ATOM 1232 C ARG B 33 39.191 0.478 18.340 1.00 13.62 C ATOM 1233 O ARG B 33 37.975 0.376 18.414 1.00 13.08 O ATOM 1234 CB ARG B 33 40.327 -1.114 19.783 1.00 19.63 C ATOM 1235 CG ARG B 33 40.905 -1.492 21.143 1.00 25.24 C ATOM 1236 CD ARG B 33 41.135 -2.994 21.229 1.00 27.50 C ATOM 1237 NE ARG B 33 42.437 -3.239 20.615 1.00 36.53 N ATOM 1238 CZ ARG B 33 43.632 -3.191 21.245 1.00 37.71 C ATOM 1239 NH1 ARG B 33 44.732 -3.432 20.570 1.00 41.89 N ATOM 1240 NH2 ARG B 33 43.714 -2.867 22.545 1.00 44.35 N ATOM 1241 HE ARG B 33 42.446 -3.471 19.601 1.00 0.00 H ATOM 1242 HH12 ARG B 33 45.654 -3.397 21.049 1.00 0.00 H ATOM 1243 HH11 ARG B 33 44.681 -3.658 19.556 1.00 0.00 H ATOM 1244 HH22 ARG B 33 44.641 -2.834 23.015 1.00 0.00 H ATOM 1245 HH21 ARG B 33 42.851 -2.649 23.082 1.00 0.00 H ATOM 1246 H ARG B 33 38.331 0.843 20.754 1.00 0.00 H ATOM 1247 N ARG B 34 39.773 0.668 17.165 1.00 14.01 N ATOM 1248 CA ARG B 34 39.077 0.647 15.935 1.00 14.83 C ATOM 1249 C ARG B 34 38.257 -0.616 15.651 1.00 13.70 C ATOM 1250 O ARG B 34 37.129 -0.513 15.139 1.00 13.39 O ATOM 1251 CB ARG B 34 40.016 0.981 14.760 1.00 16.65 C ATOM 1252 CG ARG B 34 39.336 0.987 13.402 1.00 18.98 C ATOM 1253 CD ARG B 34 40.275 1.655 12.360 1.00 19.00 C ATOM 1254 NE ARG B 34 40.294 3.102 12.553 1.00 23.13 N ATOM 1255 CZ ARG B 34 39.392 4.006 12.042 1.00 21.45 C ATOM 1256 NH1 ARG B 34 38.409 3.575 11.252 1.00 26.19 N ATOM 1257 NH2 ARG B 34 39.490 5.238 12.318 1.00 24.93 N ATOM 1258 HE ARG B 34 41.066 3.487 13.134 1.00 0.00 H ATOM 1259 HH12 ARG B 34 37.722 4.251 10.861 1.00 0.00 H ATOM 1260 HH11 ARG B 34 38.329 2.563 11.027 1.00 0.00 H ATOM 1261 HH22 ARG B 34 38.804 5.915 11.927 1.00 0.00 H ATOM 1262 HH21 ARG B 34 40.257 5.573 12.935 1.00 0.00 H ATOM 1263 H ARG B 34 40.798 0.842 17.147 1.00 0.00 H ATOM 1264 N ASP B 35 38.757 -1.735 16.131 1.00 13.83 N ATOM 1265 CA ASP B 35 38.016 -2.997 15.947 1.00 14.80 C ATOM 1266 C ASP B 35 36.660 -2.937 16.671 1.00 13.13 C ATOM 1267 O ASP B 35 35.763 -3.735 16.316 1.00 12.97 O ATOM 1268 CB ASP B 35 38.754 -4.177 16.571 1.00 17.33 C ATOM 1269 CG ASP B 35 39.980 -4.649 15.822 1.00 21.85 C ATOM 1270 OD1 ASP B 35 40.122 -4.284 14.676 1.00 23.84 O ATOM 1271 OD2 ASP B 35 40.730 -5.373 16.546 1.00 25.49 O ATOM 1272 H ASP B 35 39.666 -1.729 16.635 1.00 0.00 H ATOM 1273 N TRP B 36 36.522 -2.044 17.644 1.00 11.56 N ATOM 1274 CA TRP B 36 35.295 -1.951 18.435 1.00 11.43 C ATOM 1275 C TRP B 36 34.365 -0.860 17.985 1.00 12.08 C ATOM 1276 O TRP B 36 33.310 -0.655 18.577 1.00 12.46 O ATOM 1277 CB TRP B 36 35.662 -1.756 19.889 1.00 11.21 C ATOM 1278 CG TRP B 36 36.419 -2.883 20.526 1.00 10.97 C ATOM 1279 CD1 TRP B 36 36.506 -4.177 20.129 1.00 11.86 C ATOM 1280 CD2 TRP B 36 37.124 -2.800 21.769 1.00 12.16 C ATOM 1281 NE1 TRP B 36 37.234 -4.868 20.994 1.00 13.68 N ATOM 1282 CE2 TRP B 36 37.657 -4.078 22.033 1.00 12.82 C ATOM 1283 CE3 TRP B 36 37.420 -1.753 22.662 1.00 12.62 C ATOM 1284 CZ2 TRP B 36 38.414 -4.351 23.157 1.00 14.70 C ATOM 1285 CZ3 TRP B 36 38.143 -2.037 23.821 1.00 13.90 C ATOM 1286 CH2 TRP B 36 38.661 -3.289 24.028 1.00 14.81 C ATOM 1287 HE1 TRP B 36 37.456 -5.879 20.898 1.00 0.00 H ATOM 1288 H TRP B 36 37.307 -1.393 17.849 1.00 0.00 H ATOM 1289 N LEU B 37 34.624 -0.231 16.810 1.00 12.47 N ATOM 1290 CA LEU B 37 33.690 0.730 16.302 1.00 12.96 C ATOM 1291 C LEU B 37 32.326 0.083 16.076 1.00 12.87 C ATOM 1292 O LEU B 37 32.253 -1.133 15.662 1.00 15.21 O ATOM 1293 CB LEU B 37 34.166 1.315 14.984 1.00 15.13 C ATOM 1294 CG LEU B 37 35.190 2.395 15.206 1.00 15.51 C ATOM 1295 CD1 LEU B 37 35.900 2.724 13.850 1.00 16.16 C ATOM 1296 CD2 LEU B 37 34.632 3.696 15.765 1.00 15.16 C ATOM 1297 H LEU B 37 35.494 -0.445 16.282 1.00 0.00 H ATOM 1298 N LEU B 38 31.259 0.812 16.369 1.00 12.72 N ATOM 1299 CA LEU B 38 29.931 0.244 16.395 1.00 15.43 C ATOM 1300 C LEU B 38 29.012 1.116 15.598 1.00 15.89 C ATOM 1301 O LEU B 38 28.758 2.238 15.996 1.00 15.86 O ATOM 1302 CB LEU B 38 29.467 0.187 17.861 1.00 15.73 C ATOM 1303 CG LEU B 38 28.046 -0.338 18.033 1.00 17.15 C ATOM 1304 CD1 LEU B 38 27.916 -1.761 17.651 1.00 19.44 C ATOM 1305 CD2 LEU B 38 27.704 -0.259 19.540 1.00 18.33 C ATOM 1306 H LEU B 38 31.381 1.822 16.586 1.00 0.00 H ATOM 1307 N PRO B 39 28.500 0.659 14.472 1.00 17.70 N ATOM 1308 CA PRO B 39 27.653 1.543 13.653 1.00 19.05 C ATOM 1309 C PRO B 39 26.214 1.654 14.115 1.00 19.61 C ATOM 1310 O PRO B 39 25.225 1.166 13.440 1.00 25.54 O ATOM 1311 CB PRO B 39 27.721 0.920 12.262 1.00 21.27 C ATOM 1312 CG PRO B 39 27.890 -0.446 12.546 1.00 21.28 C ATOM 1313 CD PRO B 39 28.745 -0.616 13.788 1.00 20.21 C ATOM 1314 N MET B 40 25.957 2.318 15.205 1.00 19.57 N ATOM 1315 CA MET B 40 24.610 2.503 15.770 1.00 19.58 C ATOM 1316 C MET B 40 23.789 3.321 14.832 1.00 21.23 C ATOM 1317 O MET B 40 24.207 4.370 14.356 1.00 20.73 O ATOM 1318 CB MET B 40 24.698 3.289 17.123 1.00 20.56 C ATOM 1319 CG MET B 40 25.278 2.490 18.241 1.00 22.38 C ATOM 1320 SD MET B 40 24.343 0.962 18.727 1.00 26.96 S ATOM 1321 CE MET B 40 22.769 1.646 19.273 1.00 27.02 C ATOM 1322 H MET B 40 26.758 2.747 15.711 1.00 0.00 H ATOM 1323 N GLY B 41 22.555 2.873 14.526 1.00 22.68 N ATOM 1324 CA GLY B 41 21.739 3.611 13.587 1.00 24.48 C ATOM 1325 C GLY B 41 22.361 3.706 12.199 1.00 26.14 C ATOM 1326 O GLY B 41 21.996 4.622 11.481 1.00 31.09 O ATOM 1327 H GLY B 41 22.192 2.002 14.963 1.00 0.00 H ATOM 1328 N GLY B 42 23.282 2.826 11.825 1.00 24.47 N ATOM 1329 CA GLY B 42 23.925 2.785 10.546 1.00 25.47 C ATOM 1330 C GLY B 42 25.181 3.636 10.364 1.00 25.56 C ATOM 1331 O GLY B 42 25.646 3.816 9.203 1.00 27.96 O ATOM 1332 H GLY B 42 23.560 2.105 12.520 1.00 0.00 H ATOM 1333 N ASP B 43 25.683 4.194 11.448 1.00 20.81 N ATOM 1334 CA ASP B 43 26.845 5.074 11.324 1.00 19.05 C ATOM 1335 C ASP B 43 27.560 4.990 12.636 1.00 16.29 C ATOM 1336 O ASP B 43 26.962 5.186 13.701 1.00 18.18 O ATOM 1337 CB ASP B 43 26.438 6.533 11.088 1.00 19.78 C ATOM 1338 CG ASP B 43 27.530 7.378 10.464 1.00 22.48 C ATOM 1339 OD1 ASP B 43 28.711 7.129 10.661 1.00 20.51 O ATOM 1340 OD2 ASP B 43 27.103 8.451 9.876 1.00 25.42 O ATOM 1341 H ASP B 43 25.258 4.011 12.379 1.00 0.00 H ATOM 1342 N HIS B 44 28.915 4.871 12.660 1.00 15.97 N ATOM 1343 CA HIS B 44 29.610 5.036 13.903 1.00 14.52 C ATOM 1344 C HIS B 44 29.766 6.476 14.346 1.00 13.34 C ATOM 1345 O HIS B 44 29.916 6.676 15.515 1.00 13.44 O ATOM 1346 CB HIS B 44 30.969 4.341 13.955 1.00 16.74 C ATOM 1347 CG HIS B 44 31.981 4.880 13.032 1.00 18.68 C ATOM 1348 ND1 HIS B 44 32.532 4.092 12.019 1.00 24.79 N ATOM 1349 CD2 HIS B 44 32.698 6.026 13.047 1.00 20.14 C ATOM 1350 CE1 HIS B 44 33.463 4.815 11.396 1.00 26.60 C ATOM 1351 NE2 HIS B 44 33.528 6.018 11.950 1.00 24.65 N ATOM 1352 H HIS B 44 29.440 4.663 11.787 1.00 0.00 H ATOM 1353 N GLU B 45 29.598 7.412 13.426 1.00 12.76 N ATOM 1354 CA GLU B 45 29.649 8.845 13.784 1.00 12.22 C ATOM 1355 C GLU B 45 28.310 9.468 13.947 1.00 12.14 C ATOM 1356 O GLU B 45 27.459 9.290 13.075 1.00 12.75 O ATOM 1357 CB GLU B 45 30.437 9.632 12.735 1.00 13.42 C ATOM 1358 CG GLU B 45 30.544 11.136 13.113 1.00 13.70 C ATOM 1359 CD GLU B 45 31.473 11.934 12.180 1.00 14.57 C ATOM 1360 OE1 GLU B 45 32.709 11.723 12.320 1.00 14.54 O ATOM 1361 OE2 GLU B 45 31.002 12.715 11.358 1.00 14.91 O ATOM 1362 H GLU B 45 29.428 7.136 12.438 1.00 0.00 H ATOM 1363 N HIS B 46 28.101 10.172 15.069 1.00 12.07 N ATOM 1364 CA HIS B 46 26.865 10.863 15.332 1.00 12.66 C ATOM 1365 C HIS B 46 27.204 12.272 15.769 1.00 11.91 C ATOM 1366 O HIS B 46 27.803 12.445 16.833 1.00 12.59 O ATOM 1367 CB HIS B 46 26.068 10.123 16.446 1.00 14.13 C ATOM 1368 CG HIS B 46 25.603 8.778 16.035 1.00 15.44 C ATOM 1369 ND1 HIS B 46 24.278 8.565 15.745 1.00 20.97 N ATOM 1370 CD2 HIS B 46 26.235 7.636 15.740 1.00 17.15 C ATOM 1371 CE1 HIS B 46 24.121 7.311 15.322 1.00 19.70 C ATOM 1372 NE2 HIS B 46 25.293 6.741 15.311 1.00 17.81 N ATOM 1373 H HIS B 46 28.861 10.221 15.777 1.00 0.00 H ATOM 1374 N VAL B 47 26.796 13.265 15.050 1.00 11.40 N ATOM 1375 CA VAL B 47 26.901 14.660 15.433 1.00 11.54 C ATOM 1376 C VAL B 47 25.610 15.003 16.121 1.00 11.56 C ATOM 1377 O VAL B 47 24.528 14.887 15.568 1.00 12.91 O ATOM 1378 CB VAL B 47 27.165 15.605 14.264 1.00 12.23 C ATOM 1379 CG1 VAL B 47 27.286 17.034 14.686 1.00 12.38 C ATOM 1380 CG2 VAL B 47 28.451 15.210 13.469 1.00 13.14 C ATOM 1381 H VAL B 47 26.361 13.048 14.130 1.00 0.00 H ATOM 1382 N VAL B 48 25.725 15.468 17.349 1.00 11.72 N ATOM 1383 CA VAL B 48 24.583 15.569 18.290 1.00 11.65 C ATOM 1384 C VAL B 48 24.677 16.855 19.052 1.00 11.51 C ATOM 1385 O VAL B 48 25.741 17.502 19.126 1.00 11.73 O ATOM 1386 CB VAL B 48 24.561 14.379 19.248 1.00 11.97 C ATOM 1387 CG1 VAL B 48 24.237 13.077 18.542 1.00 13.49 C ATOM 1388 CG2 VAL B 48 25.853 14.241 19.989 1.00 12.42 C ATOM 1389 H VAL B 48 26.663 15.779 17.674 1.00 0.00 H ATOM 1390 N PHE B 49 23.575 17.281 19.678 1.00 11.03 N ATOM 1391 CA PHE B 49 23.596 18.420 20.575 1.00 11.26 C ATOM 1392 C PHE B 49 22.784 18.124 21.818 1.00 11.51 C ATOM 1393 O PHE B 49 21.829 17.328 21.801 1.00 11.41 O ATOM 1394 CB PHE B 49 23.153 19.742 19.935 1.00 11.05 C ATOM 1395 CG PHE B 49 21.726 19.735 19.476 1.00 11.86 C ATOM 1396 CD1 PHE B 49 20.716 20.170 20.339 1.00 13.04 C ATOM 1397 CD2 PHE B 49 21.341 19.353 18.158 1.00 12.51 C ATOM 1398 CE1 PHE B 49 19.398 20.156 19.945 1.00 14.22 C ATOM 1399 CE2 PHE B 49 20.022 19.326 17.789 1.00 13.72 C ATOM 1400 CZ PHE B 49 19.052 19.752 18.647 1.00 14.01 C ATOM 1401 H PHE B 49 22.677 16.781 19.517 1.00 0.00 H ATOM 1402 N ASN B 50 23.211 18.698 22.944 1.00 10.56 N ATOM 1403 CA ASN B 50 22.577 18.425 24.233 1.00 10.65 C ATOM 1404 C ASN B 50 21.520 19.552 24.500 1.00 11.31 C ATOM 1405 O ASN B 50 21.341 20.501 23.746 1.00 11.30 O ATOM 1406 CB ASN B 50 23.590 18.246 25.349 1.00 11.33 C ATOM 1407 CG ASN B 50 24.316 19.482 25.740 1.00 12.30 C ATOM 1408 OD1 ASN B 50 23.984 20.604 25.394 1.00 12.15 O ATOM 1409 ND2 ASN B 50 25.329 19.307 26.621 1.00 13.85 N ATOM 1410 HD22 ASN B 50 25.606 18.347 26.911 1.00 0.00 H ATOM 1411 HD21 ASN B 50 25.830 20.132 27.008 1.00 0.00 H ATOM 1412 H ASN B 50 24.015 19.356 22.904 1.00 0.00 H ATOM 1413 N PRO B 51 20.804 19.466 25.664 1.00 11.82 N ATOM 1414 CA PRO B 51 19.786 20.453 25.946 1.00 12.36 C ATOM 1415 C PRO B 51 20.328 21.877 26.175 1.00 12.24 C ATOM 1416 O PRO B 51 19.564 22.833 26.042 1.00 14.31 O ATOM 1417 CB PRO B 51 19.116 19.930 27.218 1.00 13.43 C ATOM 1418 CG PRO B 51 19.341 18.476 27.149 1.00 13.83 C ATOM 1419 CD PRO B 51 20.725 18.297 26.557 1.00 12.59 C ATOM 1420 N ALA B 52 21.639 21.977 26.473 1.00 11.90 N ATOM 1421 CA ALA B 52 22.271 23.303 26.596 1.00 12.37 C ATOM 1422 C ALA B 52 22.789 23.803 25.300 1.00 12.08 C ATOM 1423 O ALA B 52 23.341 24.891 25.271 1.00 12.79 O ATOM 1424 CB ALA B 52 23.377 23.247 27.615 1.00 13.16 C ATOM 1425 H ALA B 52 22.206 21.117 26.616 1.00 0.00 H ATOM 1426 N GLY B 53 22.522 23.091 24.236 1.00 11.85 N ATOM 1427 CA GLY B 53 22.922 23.483 22.856 1.00 11.80 C ATOM 1428 C GLY B 53 24.389 23.236 22.601 1.00 12.29 C ATOM 1429 O GLY B 53 24.882 23.698 21.540 1.00 14.20 O ATOM 1430 H GLY B 53 22.000 22.200 24.361 1.00 0.00 H ATOM 1431 N MET B 54 25.106 22.459 23.374 1.00 12.08 N ATOM 1432 CA MET B 54 26.475 22.116 23.034 1.00 13.50 C ATOM 1433 C MET B 54 26.472 20.995 22.020 1.00 12.34 C ATOM 1434 O MET B 54 25.762 20.036 22.146 1.00 11.65 O ATOM 1435 CB MET B 54 27.170 21.706 24.326 1.00 16.68 C ATOM 1436 CG MET B 54 27.408 22.768 25.336 1.00 21.27 C ATOM 1437 SD MET B 54 28.702 23.948 24.766 1.00 33.14 S ATOM 1438 CE MET B 54 29.871 23.938 26.108 1.00 36.75 C ATOM 1439 H MET B 54 24.687 22.081 24.247 1.00 0.00 H ATOM 1440 N ILE B 55 27.302 21.125 21.001 1.00 12.02 N ATOM 1441 CA ILE B 55 27.439 20.164 19.875 1.00 11.94 C ATOM 1442 C ILE B 55 28.613 19.289 20.098 1.00 11.42 C ATOM 1443 O ILE B 55 29.699 19.773 20.486 1.00 14.07 O ATOM 1444 CB ILE B 55 27.538 20.875 18.521 1.00 12.71 C ATOM 1445 CG1 ILE B 55 26.244 21.701 18.284 1.00 13.58 C ATOM 1446 CG2 ILE B 55 27.877 19.981 17.415 1.00 12.89 C ATOM 1447 CD1 ILE B 55 26.333 22.753 17.237 1.00 15.17 C ATOM 1448 H ILE B 55 27.910 21.969 20.985 1.00 0.00 H ATOM 1449 N PHE B 56 28.430 17.988 19.861 1.00 10.95 N ATOM 1450 CA PHE B 56 29.512 17.001 19.969 1.00 11.16 C ATOM 1451 C PHE B 56 29.508 16.140 18.769 1.00 11.24 C ATOM 1452 O PHE B 56 28.436 15.803 18.221 1.00 12.35 O ATOM 1453 CB PHE B 56 29.347 16.106 21.223 1.00 11.65 C ATOM 1454 CG PHE B 56 29.274 16.844 22.545 1.00 12.27 C ATOM 1455 CD1 PHE B 56 28.020 17.297 22.991 1.00 13.33 C ATOM 1456 CD2 PHE B 56 30.360 17.098 23.275 1.00 13.43 C ATOM 1457 CE1 PHE B 56 27.953 17.968 24.180 1.00 14.89 C ATOM 1458 CE2 PHE B 56 30.271 17.778 24.470 1.00 14.60 C ATOM 1459 CZ PHE B 56 29.057 18.244 24.888 1.00 15.40 C ATOM 1460 H PHE B 56 27.482 17.660 19.588 1.00 0.00 H ATOM 1461 N ARG B 57 30.663 15.669 18.385 1.00 10.83 N ATOM 1462 CA ARG B 57 30.822 14.656 17.401 1.00 11.87 C ATOM 1463 C ARG B 57 31.284 13.395 18.028 1.00 11.33 C ATOM 1464 O ARG B 57 32.434 13.319 18.473 1.00 11.43 O ATOM 1465 CB ARG B 57 31.725 15.108 16.252 1.00 12.67 C ATOM 1466 CG ARG B 57 31.945 14.136 15.147 1.00 13.38 C ATOM 1467 CD ARG B 57 32.633 14.719 13.922 1.00 14.70 C ATOM 1468 NE ARG B 57 34.016 15.117 14.282 1.00 15.44 N ATOM 1469 CZ ARG B 57 35.130 14.484 13.908 1.00 15.50 C ATOM 1470 NH1 ARG B 57 35.082 13.456 13.190 1.00 15.84 N ATOM 1471 NH2 ARG B 57 36.302 14.907 14.371 1.00 17.86 N ATOM 1472 HE ARG B 57 34.127 15.962 14.877 1.00 0.00 H ATOM 1473 HH12 ARG B 57 35.961 12.977 12.909 1.00 0.00 H ATOM 1474 HH11 ARG B 57 34.163 13.083 12.876 1.00 0.00 H ATOM 1475 HH22 ARG B 57 37.178 14.423 14.088 1.00 0.00 H ATOM 1476 HH21 ARG B 57 36.343 15.722 15.016 1.00 0.00 H ATOM 1477 H ARG B 57 31.520 16.059 18.826 1.00 0.00 H ATOM 1478 N VAL B 58 30.421 12.427 18.128 1.00 11.32 N ATOM 1479 CA VAL B 58 30.601 11.206 18.912 1.00 12.97 C ATOM 1480 C VAL B 58 30.798 10.030 17.992 1.00 11.72 C ATOM 1481 O VAL B 58 30.168 9.932 16.924 1.00 11.87 O ATOM 1482 CB VAL B 58 29.267 10.985 19.736 1.00 16.37 C ATOM 1483 CG1 VAL B 58 29.099 9.624 20.297 1.00 19.06 C ATOM 1484 CG2 VAL B 58 29.249 12.069 20.868 1.00 17.42 C ATOM 1485 H VAL B 58 29.527 12.530 17.606 1.00 0.00 H ATOM 1486 N TRP B 59 31.765 9.161 18.333 1.00 11.11 N ATOM 1487 CA TRP B 59 31.958 7.864 17.670 1.00 11.14 C ATOM 1488 C TRP B 59 31.521 6.785 18.624 1.00 10.63 C ATOM 1489 O TRP B 59 31.901 6.823 19.788 1.00 10.38 O ATOM 1490 CB TRP B 59 33.418 7.701 17.249 1.00 11.62 C ATOM 1491 CG TRP B 59 33.752 8.439 15.968 1.00 11.89 C ATOM 1492 CD1 TRP B 59 33.103 9.536 15.433 1.00 13.67 C ATOM 1493 CD2 TRP B 59 34.832 8.169 15.102 1.00 12.96 C ATOM 1494 NE1 TRP B 59 33.701 9.863 14.226 1.00 13.81 N ATOM 1495 CE2 TRP B 59 34.713 9.013 13.986 1.00 13.69 C ATOM 1496 CE3 TRP B 59 35.831 7.204 15.070 1.00 13.80 C ATOM 1497 CZ2 TRP B 59 35.593 8.986 12.913 1.00 15.08 C ATOM 1498 CZ3 TRP B 59 36.667 7.144 14.001 1.00 15.02 C ATOM 1499 CH2 TRP B 59 36.556 8.030 12.935 1.00 16.04 C ATOM 1500 HE1 TRP B 59 33.411 10.644 13.604 1.00 0.00 H ATOM 1501 H TRP B 59 32.410 9.420 19.106 1.00 0.00 H ATOM 1502 N CYS B 60 30.786 5.827 18.113 1.00 10.83 N ATOM 1503 CA CYS B 60 30.304 4.720 18.945 1.00 11.45 C ATOM 1504 C CYS B 60 31.247 3.536 18.929 1.00 10.73 C ATOM 1505 O CYS B 60 31.716 3.150 17.874 1.00 11.11 O ATOM 1506 CB CYS B 60 28.959 4.272 18.523 1.00 11.70 C ATOM 1507 SG CYS B 60 27.665 5.570 18.655 1.00 15.04 S ATOM 1508 H CYS B 60 30.541 5.853 17.103 1.00 0.00 H ATOM 1509 N PHE B 61 31.504 3.027 20.143 1.00 10.46 N ATOM 1510 CA PHE B 61 32.367 1.864 20.338 1.00 10.54 C ATOM 1511 C PHE B 61 31.637 0.857 21.182 1.00 10.19 C ATOM 1512 O PHE B 61 30.956 1.228 22.164 1.00 10.88 O ATOM 1513 CB PHE B 61 33.638 2.242 21.020 1.00 10.59 C ATOM 1514 CG PHE B 61 34.548 3.155 20.238 1.00 10.64 C ATOM 1515 CD1 PHE B 61 34.374 4.535 20.267 1.00 10.95 C ATOM 1516 CD2 PHE B 61 35.593 2.648 19.475 1.00 11.55 C ATOM 1517 CE1 PHE B 61 35.238 5.353 19.555 1.00 11.55 C ATOM 1518 CE2 PHE B 61 36.459 3.514 18.799 1.00 12.38 C ATOM 1519 CZ PHE B 61 36.292 4.834 18.848 1.00 12.44 C ATOM 1520 H PHE B 61 31.073 3.477 20.976 1.00 0.00 H ATOM 1521 N SER B 62 31.813 -0.422 20.925 1.00 9.95 N ATOM 1522 CA SER B 62 31.144 -1.469 21.730 1.00 10.72 C ATOM 1523 C SER B 62 31.686 -1.537 23.146 1.00 11.02 C ATOM 1524 O SER B 62 30.903 -1.728 24.107 1.00 13.59 O ATOM 1525 CB SER B 62 31.311 -2.791 21.049 1.00 11.59 C ATOM 1526 OG SER B 62 32.703 -3.061 20.905 1.00 11.90 O ATOM 1527 HG SER B 62 33.122 -2.348 20.361 1.00 0.00 H ATOM 1528 H SER B 62 32.435 -0.703 20.140 1.00 0.00 H ATOM 1529 N LEU B 63 32.967 -1.382 23.320 1.00 10.27 N ATOM 1530 CA LEU B 63 33.701 -1.499 24.582 1.00 10.47 C ATOM 1531 C LEU B 63 34.650 -0.339 24.698 1.00 10.62 C ATOM 1532 O LEU B 63 34.992 0.291 23.682 1.00 11.35 O ATOM 1533 CB LEU B 63 34.467 -2.822 24.668 1.00 11.31 C ATOM 1534 CG LEU B 63 33.667 -4.134 24.430 1.00 12.91 C ATOM 1535 CD1 LEU B 63 34.638 -5.270 24.464 1.00 15.49 C ATOM 1536 CD2 LEU B 63 32.482 -4.314 25.391 1.00 13.67 C ATOM 1537 H LEU B 63 33.527 -1.151 22.475 1.00 0.00 H ATOM 1538 N ALA B 64 35.121 -0.129 25.895 1.00 10.82 N ATOM 1539 CA ALA B 64 36.193 0.806 26.184 1.00 11.02 C ATOM 1540 C ALA B 64 36.835 0.404 27.476 1.00 12.42 C ATOM 1541 O ALA B 64 36.314 -0.502 28.194 1.00 13.64 O ATOM 1542 CB ALA B 64 35.697 2.211 26.257 1.00 11.22 C ATOM 1543 H ALA B 64 34.706 -0.661 26.687 1.00 0.00 H ATOM 1544 N GLN B 65 37.960 1.005 27.784 1.00 12.16 N ATOM 1545 CA GLN B 65 38.660 0.772 29.045 1.00 13.85 C ATOM 1546 C GLN B 65 39.289 2.040 29.497 1.00 12.90 C ATOM 1547 O GLN B 65 39.406 2.996 28.749 1.00 12.77 O ATOM 1548 CB GLN B 65 39.693 -0.315 28.921 1.00 17.56 C ATOM 1549 CG GLN B 65 40.722 0.068 27.872 1.00 19.46 C ATOM 1550 CD GLN B 65 41.617 -1.063 27.501 1.00 25.38 C ATOM 1551 OE1 GLN B 65 41.162 -2.052 26.880 1.00 28.92 O ATOM 1552 NE2 GLN B 65 42.819 -1.029 28.060 1.00 27.05 N ATOM 1553 HE22 GLN B 65 43.135 -0.175 28.562 1.00 0.00 H ATOM 1554 HE21 GLN B 65 43.445 -1.857 27.997 1.00 0.00 H ATOM 1555 H GLN B 65 38.370 1.675 27.102 1.00 0.00 H ATOM 1556 N GLY B 66 39.651 2.045 30.767 1.00 12.51 N ATOM 1557 CA GLY B 66 40.370 3.204 31.288 1.00 13.29 C ATOM 1558 C GLY B 66 39.542 4.386 31.606 1.00 13.09 C ATOM 1559 O GLY B 66 40.107 5.392 32.032 1.00 14.73 O ATOM 1560 H GLY B 66 39.428 1.238 31.385 1.00 0.00 H ATOM 1561 N LEU B 67 38.224 4.300 31.513 1.00 11.82 N ATOM 1562 CA LEU B 67 37.347 5.413 31.871 1.00 12.68 C ATOM 1563 C LEU B 67 36.847 5.265 33.285 1.00 13.13 C ATOM 1564 O LEU B 67 36.996 4.203 33.925 1.00 13.96 O ATOM 1565 CB LEU B 67 36.158 5.457 30.905 1.00 11.67 C ATOM 1566 CG LEU B 67 36.501 5.610 29.413 1.00 11.98 C ATOM 1567 CD1 LEU B 67 35.388 5.161 28.519 1.00 12.73 C ATOM 1568 CD2 LEU B 67 36.907 7.024 29.136 1.00 13.41 C ATOM 1569 H LEU B 67 37.800 3.413 31.175 1.00 0.00 H ATOM 1570 N ARG B 68 36.241 6.317 33.784 1.00 13.13 N ATOM 1571 CA ARG B 68 35.480 6.308 35.058 1.00 14.55 C ATOM 1572 C ARG B 68 34.128 6.866 34.747 1.00 13.47 C ATOM 1573 O ARG B 68 34.023 8.023 34.277 1.00 13.99 O ATOM 1574 CB ARG B 68 36.187 7.096 36.107 1.00 17.15 C ATOM 1575 CG ARG B 68 35.524 7.200 37.410 1.00 18.37 C ATOM 1576 CD ARG B 68 35.371 5.859 38.119 1.00 22.01 C ATOM 1577 NE ARG B 68 34.648 5.949 39.373 1.00 24.73 N ATOM 1578 CZ ARG B 68 35.135 6.328 40.543 1.00 25.48 C ATOM 1579 NH1 ARG B 68 36.417 6.656 40.691 1.00 27.42 N ATOM 1580 NH2 ARG B 68 34.298 6.374 41.583 1.00 29.04 N ATOM 1581 HE ARG B 68 33.641 5.688 39.350 1.00 0.00 H ATOM 1582 HH12 ARG B 68 36.774 6.951 41.622 1.00 0.00 H ATOM 1583 HH11 ARG B 68 37.061 6.618 39.875 1.00 0.00 H ATOM 1584 HH22 ARG B 68 34.646 6.667 42.518 1.00 0.00 H ATOM 1585 HH21 ARG B 68 33.298 6.116 41.458 1.00 0.00 H ATOM 1586 H ARG B 68 36.298 7.210 33.255 1.00 0.00 H ATOM 1587 N LEU B 69 33.063 6.113 34.986 1.00 12.81 N ATOM 1588 CA LEU B 69 31.711 6.506 34.739 1.00 14.70 C ATOM 1589 C LEU B 69 31.158 7.147 35.963 1.00 15.41 C ATOM 1590 O LEU B 69 31.327 6.558 37.094 1.00 19.18 O ATOM 1591 CB LEU B 69 30.886 5.317 34.258 1.00 14.69 C ATOM 1592 CG LEU B 69 31.460 4.577 33.089 1.00 15.86 C ATOM 1593 CD1 LEU B 69 30.501 3.479 32.607 1.00 16.39 C ATOM 1594 CD2 LEU B 69 31.738 5.502 31.945 1.00 16.10 C ATOM 1595 H LEU B 69 33.223 5.165 35.383 1.00 0.00 H ATOM 1596 N ILE B 70 30.546 8.311 35.905 1.00 15.36 N ATOM 1597 CA ILE B 70 30.140 9.020 37.102 1.00 18.18 C ATOM 1598 C ILE B 70 28.638 9.188 37.125 1.00 17.54 C ATOM 1599 O ILE B 70 28.041 9.565 36.142 1.00 19.57 O ATOM 1600 CB ILE B 70 30.815 10.354 37.163 1.00 22.33 C ATOM 1601 CG1 ILE B 70 32.324 10.113 37.476 1.00 25.04 C ATOM 1602 CG2 ILE B 70 30.220 11.282 38.217 1.00 25.28 C ATOM 1603 CD1 ILE B 70 32.583 9.288 38.694 1.00 28.05 C ATOM 1604 H ILE B 70 30.349 8.733 34.975 1.00 0.00 H ATOM 1605 N GLY B 71 28.047 8.936 38.247 1.00 19.25 N ATOM 1606 CA GLY B 71 26.635 9.147 38.424 1.00 20.77 C ATOM 1607 C GLY B 71 25.773 7.982 38.077 1.00 21.62 C ATOM 1608 O GLY B 71 26.238 6.942 37.623 1.00 24.86 O ATOM 1609 H GLY B 71 28.608 8.571 39.043 1.00 0.00 H ATOM 1610 N ALA B 72 24.489 8.103 38.435 1.00 20.80 N ATOM 1611 CA ALA B 72 23.546 7.093 38.075 1.00 20.54 C ATOM 1612 C ALA B 72 23.174 7.269 36.593 1.00 17.99 C ATOM 1613 O ALA B 72 23.112 8.418 36.116 1.00 18.44 O ATOM 1614 CB ALA B 72 22.309 7.227 38.896 1.00 22.15 C ATOM 1615 H ALA B 72 24.177 8.934 38.977 1.00 0.00 H ATOM 1616 N PRO B 73 22.770 6.226 35.904 1.00 18.60 N ATOM 1617 CA PRO B 73 22.341 6.343 34.516 1.00 17.39 C ATOM 1618 C PRO B 73 21.079 7.189 34.417 1.00 16.68 C ATOM 1619 O PRO B 73 20.211 7.205 35.355 1.00 18.26 O ATOM 1620 CB PRO B 73 21.943 4.927 34.172 1.00 19.97 C ATOM 1621 CG PRO B 73 22.705 4.054 35.148 1.00 23.06 C ATOM 1622 CD PRO B 73 22.707 4.833 36.381 1.00 21.09 C ATOM 1623 N SER B 74 20.949 7.936 33.319 1.00 15.35 N ATOM 1624 CA SER B 74 19.817 8.812 33.076 1.00 15.43 C ATOM 1625 C SER B 74 19.296 8.534 31.720 1.00 15.38 C ATOM 1626 O SER B 74 20.028 8.406 30.761 1.00 14.87 O ATOM 1627 CB SER B 74 20.294 10.214 33.154 1.00 16.40 C ATOM 1628 OG SER B 74 19.185 11.105 32.817 1.00 18.54 O ATOM 1629 HG SER B 74 19.492 12.045 32.866 1.00 0.00 H ATOM 1630 H SER B 74 21.698 7.888 32.599 1.00 0.00 H ATOM 1631 N GLY B 75 17.964 8.568 31.581 1.00 15.99 N ATOM 1632 CA GLY B 75 17.367 8.489 30.285 1.00 16.27 C ATOM 1633 C GLY B 75 17.096 9.840 29.641 1.00 16.43 C ATOM 1634 O GLY B 75 16.685 9.885 28.431 1.00 20.73 O ATOM 1635 H GLY B 75 17.360 8.653 32.423 1.00 0.00 H ATOM 1636 N GLU B 76 17.358 10.917 30.350 1.00 15.70 N ATOM 1637 CA GLU B 76 16.948 12.284 29.870 1.00 16.25 C ATOM 1638 C GLU B 76 17.638 12.651 28.580 1.00 15.43 C ATOM 1639 O GLU B 76 18.907 12.752 28.543 1.00 16.49 O ATOM 1640 CB GLU B 76 17.302 13.333 30.879 1.00 17.98 C ATOM 1641 CG GLU B 76 16.558 13.246 32.157 1.00 20.17 C ATOM 1642 CD GLU B 76 15.293 13.986 32.089 1.00 23.59 C ATOM 1643 OE1 GLU B 76 14.920 14.456 30.970 1.00 23.47 O ATOM 1644 OE2 GLU B 76 14.626 14.078 33.132 1.00 25.26 O ATOM 1645 H GLU B 76 17.857 10.822 31.258 1.00 0.00 H ATOM 1646 N PHE B 77 16.939 12.924 27.529 1.00 14.92 N ATOM 1647 CA PHE B 77 17.474 13.356 26.255 1.00 15.14 C ATOM 1648 C PHE B 77 18.536 12.465 25.732 1.00 14.11 C ATOM 1649 O PHE B 77 19.446 12.876 24.989 1.00 13.81 O ATOM 1650 CB PHE B 77 17.848 14.827 26.304 1.00 17.16 C ATOM 1651 CG PHE B 77 16.748 15.724 26.877 1.00 17.66 C ATOM 1652 CD1 PHE B 77 15.574 15.883 26.161 1.00 18.70 C ATOM 1653 CD2 PHE B 77 16.833 16.205 28.126 1.00 20.73 C ATOM 1654 CE1 PHE B 77 14.505 16.580 26.701 1.00 20.31 C ATOM 1655 CE2 PHE B 77 15.811 16.990 28.663 1.00 19.48 C ATOM 1656 CZ PHE B 77 14.612 17.129 27.966 1.00 22.12 C ATOM 1657 H PHE B 77 15.906 12.825 27.604 1.00 0.00 H ATOM 1658 N SER B 78 18.422 11.154 25.976 1.00 13.87 N ATOM 1659 CA SER B 78 19.430 10.256 25.412 1.00 13.09 C ATOM 1660 C SER B 78 19.451 10.335 23.874 1.00 12.68 C ATOM 1661 O SER B 78 18.405 10.289 23.208 1.00 14.99 O ATOM 1662 CB SER B 78 19.064 8.829 25.761 1.00 14.28 C ATOM 1663 OG SER B 78 20.057 7.963 25.229 1.00 14.28 O ATOM 1664 HG SER B 78 19.829 7.026 25.451 1.00 0.00 H ATOM 1665 H SER B 78 17.638 10.784 26.551 1.00 0.00 H ATOM 1666 N TRP B 79 20.664 10.410 23.331 1.00 11.98 N ATOM 1667 CA TRP B 79 20.811 10.439 21.869 1.00 12.67 C ATOM 1668 C TRP B 79 20.497 9.104 21.221 1.00 14.00 C ATOM 1669 O TRP B 79 20.430 9.028 19.976 1.00 16.15 O ATOM 1670 CB TRP B 79 22.218 10.917 21.499 1.00 12.27 C ATOM 1671 CG TRP B 79 22.478 12.337 21.920 1.00 11.41 C ATOM 1672 CD1 TRP B 79 21.665 13.434 21.744 1.00 12.34 C ATOM 1673 CD2 TRP B 79 23.662 12.833 22.516 1.00 10.84 C ATOM 1674 NE1 TRP B 79 22.274 14.549 22.228 1.00 11.43 N ATOM 1675 CE2 TRP B 79 23.522 14.224 22.672 1.00 10.77 C ATOM 1676 CE3 TRP B 79 24.886 12.240 22.919 1.00 11.70 C ATOM 1677 CZ2 TRP B 79 24.500 15.012 23.272 1.00 12.05 C ATOM 1678 CZ3 TRP B 79 25.835 13.034 23.526 1.00 11.80 C ATOM 1679 CH2 TRP B 79 25.670 14.406 23.663 1.00 12.44 C ATOM 1680 HE1 TRP B 79 21.854 15.500 22.255 1.00 0.00 H ATOM 1681 H TRP B 79 21.506 10.448 23.940 1.00 0.00 H ATOM 1682 N PHE B 80 20.438 8.034 22.016 1.00 13.40 N ATOM 1683 CA PHE B 80 20.245 6.690 21.502 1.00 14.23 C ATOM 1684 C PHE B 80 19.015 6.099 22.140 1.00 14.87 C ATOM 1685 O PHE B 80 19.021 5.785 23.327 1.00 15.51 O ATOM 1686 CB PHE B 80 21.487 5.829 21.691 1.00 13.83 C ATOM 1687 CG PHE B 80 22.718 6.393 21.020 1.00 13.82 C ATOM 1688 CD1 PHE B 80 22.937 6.203 19.647 1.00 15.29 C ATOM 1689 CD2 PHE B 80 23.581 7.178 21.683 1.00 13.11 C ATOM 1690 CE1 PHE B 80 24.020 6.806 19.016 1.00 15.70 C ATOM 1691 CE2 PHE B 80 24.677 7.740 21.022 1.00 13.63 C ATOM 1692 CZ PHE B 80 24.842 7.573 19.688 1.00 15.09 C ATOM 1693 H PHE B 80 20.534 8.168 23.043 1.00 0.00 H ATOM 1694 N LYS B 81 17.926 6.041 21.373 1.00 18.54 N ATOM 1695 CA LYS B 81 16.656 5.593 21.884 1.00 18.81 C ATOM 1696 C LYS B 81 16.778 4.208 22.510 1.00 17.59 C ATOM 1697 O LYS B 81 17.437 3.310 21.957 1.00 20.30 O ATOM 1698 CB LYS B 81 15.653 5.548 20.692 1.00 22.78 C ATOM 1699 CG LYS B 81 14.252 5.129 21.052 1.00 28.00 C ATOM 1700 CD LYS B 81 13.383 5.150 19.779 1.00 31.74 C ATOM 1701 CE LYS B 81 12.100 4.341 19.973 1.00 37.71 C ATOM 1702 NZ LYS B 81 11.124 4.586 18.877 1.00 43.10 N ATOM 1703 HZ1 LYS B 81 10.875 5.596 18.855 1.00 0.00 H ATOM 1704 HZ2 LYS B 81 11.550 4.313 17.968 1.00 0.00 H ATOM 1705 HZ3 LYS B 81 10.268 4.020 19.044 1.00 0.00 H ATOM 1706 H LYS B 81 17.996 6.328 20.376 1.00 0.00 H ATOM 1707 N GLY B 82 16.235 4.063 23.709 1.00 17.34 N ATOM 1708 CA GLY B 82 16.281 2.813 24.392 1.00 18.67 C ATOM 1709 C GLY B 82 17.407 2.678 25.390 1.00 16.40 C ATOM 1710 O GLY B 82 17.485 1.626 26.062 1.00 18.16 O ATOM 1711 H GLY B 82 15.767 4.875 24.160 1.00 0.00 H ATOM 1712 N TYR B 83 18.290 3.680 25.447 1.00 15.07 N ATOM 1713 CA TYR B 83 19.444 3.615 26.320 1.00 14.21 C ATOM 1714 C TYR B 83 19.459 4.728 27.326 1.00 13.96 C ATOM 1715 O TYR B 83 19.093 5.871 26.967 1.00 14.83 O ATOM 1716 CB TYR B 83 20.763 3.643 25.521 1.00 13.68 C ATOM 1717 CG TYR B 83 20.959 2.459 24.639 1.00 13.83 C ATOM 1718 CD1 TYR B 83 20.402 2.403 23.385 1.00 14.60 C ATOM 1719 CD2 TYR B 83 21.678 1.353 25.065 1.00 15.11 C ATOM 1720 CE1 TYR B 83 20.615 1.315 22.579 1.00 15.89 C ATOM 1721 CE2 TYR B 83 21.867 0.266 24.263 1.00 15.31 C ATOM 1722 CZ TYR B 83 21.293 0.223 23.024 1.00 16.52 C ATOM 1723 OH TYR B 83 21.478 -0.892 22.218 1.00 17.99 O ATOM 1724 HH TYR B 83 21.122 -1.693 22.678 1.00 0.00 H ATOM 1725 H TYR B 83 18.146 4.522 24.854 1.00 0.00 H ATOM 1726 N ASP B 84 19.981 4.463 28.523 1.00 14.21 N ATOM 1727 CA ASP B 84 20.363 5.477 29.479 1.00 15.12 C ATOM 1728 C ASP B 84 21.828 5.788 29.350 1.00 15.19 C ATOM 1729 O ASP B 84 22.568 4.920 28.859 1.00 16.19 O ATOM 1730 CB ASP B 84 20.089 5.009 30.864 1.00 16.47 C ATOM 1731 CG ASP B 84 18.709 5.167 31.321 1.00 18.12 C ATOM 1732 OD1 ASP B 84 17.764 5.312 30.563 1.00 18.03 O ATOM 1733 OD2 ASP B 84 18.633 5.130 32.650 1.00 22.71 O ATOM 1734 H ASP B 84 20.122 3.466 28.785 1.00 0.00 H ATOM 1735 N TRP B 85 22.244 6.933 29.778 1.00 12.82 N ATOM 1736 CA TRP B 85 23.634 7.382 29.676 1.00 12.86 C ATOM 1737 C TRP B 85 24.225 7.697 31.033 1.00 12.46 C ATOM 1738 O TRP B 85 23.508 8.110 31.977 1.00 13.08 O ATOM 1739 CB TRP B 85 23.764 8.557 28.785 1.00 12.57 C ATOM 1740 CG TRP B 85 22.946 9.755 29.115 1.00 12.29 C ATOM 1741 CD1 TRP B 85 21.647 10.063 28.671 1.00 13.71 C ATOM 1742 CD2 TRP B 85 23.245 10.793 30.020 1.00 12.75 C ATOM 1743 NE1 TRP B 85 21.199 11.168 29.218 1.00 14.43 N ATOM 1744 CE2 TRP B 85 22.118 11.677 30.086 1.00 13.63 C ATOM 1745 CE3 TRP B 85 24.369 11.102 30.798 1.00 13.47 C ATOM 1746 CZ2 TRP B 85 22.135 12.802 30.875 1.00 15.28 C ATOM 1747 CZ3 TRP B 85 24.355 12.237 31.575 1.00 14.47 C ATOM 1748 CH2 TRP B 85 23.229 13.060 31.607 1.00 15.45 C ATOM 1749 HE1 TRP B 85 20.272 11.596 29.017 1.00 0.00 H ATOM 1750 H TRP B 85 21.553 7.572 30.220 1.00 0.00 H ATOM 1751 N THR B 86 25.564 7.580 31.103 1.00 11.52 N ATOM 1752 CA THR B 86 26.363 8.074 32.214 1.00 12.03 C ATOM 1753 C THR B 86 27.583 8.769 31.627 1.00 11.99 C ATOM 1754 O THR B 86 28.146 8.286 30.613 1.00 12.70 O ATOM 1755 CB THR B 86 26.891 6.975 33.165 1.00 13.06 C ATOM 1756 OG1 THR B 86 27.637 6.016 32.423 1.00 13.86 O ATOM 1757 CG2 THR B 86 25.728 6.362 33.869 1.00 13.40 C ATOM 1758 HG1 THR B 86 28.402 6.464 31.982 1.00 0.00 H ATOM 1759 H THR B 86 26.056 7.109 30.317 1.00 0.00 H ATOM 1760 N ILE B 87 28.012 9.860 32.204 1.00 12.28 N ATOM 1761 CA ILE B 87 29.226 10.550 31.796 1.00 12.37 C ATOM 1762 C ILE B 87 30.437 9.663 31.961 1.00 12.02 C ATOM 1763 O ILE B 87 30.580 9.040 32.982 1.00 11.96 O ATOM 1764 CB ILE B 87 29.406 11.855 32.625 1.00 14.18 C ATOM 1765 CG1 ILE B 87 28.330 12.835 32.238 1.00 15.98 C ATOM 1766 CG2 ILE B 87 30.811 12.466 32.454 1.00 14.08 C ATOM 1767 CD1 ILE B 87 28.241 14.051 33.150 1.00 18.33 C ATOM 1768 H ILE B 87 27.459 10.254 32.992 1.00 0.00 H ATOM 1769 N ALA B 88 31.309 9.715 30.990 1.00 11.55 N ATOM 1770 CA ALA B 88 32.593 8.997 31.006 1.00 11.52 C ATOM 1771 C ALA B 88 33.798 9.924 31.005 1.00 12.37 C ATOM 1772 O ALA B 88 33.942 10.680 30.033 1.00 12.99 O ATOM 1773 CB ALA B 88 32.661 8.054 29.806 1.00 11.26 C ATOM 1774 H ALA B 88 31.083 10.297 30.158 1.00 0.00 H ATOM 1775 N LEU B 89 34.576 9.852 32.051 1.00 11.60 N ATOM 1776 CA LEU B 89 35.818 10.598 32.133 1.00 12.87 C ATOM 1777 C LEU B 89 36.974 9.693 31.971 1.00 12.54 C ATOM 1778 O LEU B 89 36.905 8.495 32.280 1.00 13.64 O ATOM 1779 CB LEU B 89 36.003 11.242 33.499 1.00 14.27 C ATOM 1780 CG LEU B 89 34.864 12.102 34.002 1.00 16.08 C ATOM 1781 CD1 LEU B 89 35.105 12.683 35.317 1.00 18.72 C ATOM 1782 CD2 LEU B 89 34.521 13.211 32.981 1.00 16.62 C ATOM 1783 H LEU B 89 34.298 9.243 32.847 1.00 0.00 H ATOM 1784 N CYS B 90 38.108 10.159 31.452 1.00 12.79 N ATOM 1785 CA CYS B 90 39.323 9.365 31.540 1.00 13.15 C ATOM 1786 C CYS B 90 39.648 9.089 32.996 1.00 13.25 C ATOM 1787 O CYS B 90 39.692 10.008 33.787 1.00 14.68 O ATOM 1788 CB CYS B 90 40.472 10.113 30.882 1.00 14.28 C ATOM 1789 SG CYS B 90 42.067 9.222 30.992 1.00 14.44 S ATOM 1790 H CYS B 90 38.125 11.088 30.985 1.00 0.00 H ATOM 1791 N GLY B 91 39.842 7.819 33.357 1.00 13.19 N ATOM 1792 CA GLY B 91 40.146 7.489 34.715 1.00 14.37 C ATOM 1793 C GLY B 91 41.480 7.917 35.211 1.00 15.98 C ATOM 1794 O GLY B 91 41.709 8.041 36.416 1.00 17.02 O ATOM 1795 H GLY B 91 39.772 7.064 32.646 1.00 0.00 H ATOM 1796 N GLN B 92 42.383 8.172 34.279 1.00 14.62 N ATOM 1797 CA GLN B 92 43.740 8.532 34.624 1.00 15.76 C ATOM 1798 C GLN B 92 43.886 10.025 34.755 1.00 15.76 C ATOM 1799 O GLN B 92 44.486 10.450 35.721 1.00 17.94 O ATOM 1800 CB GLN B 92 44.701 7.957 33.573 1.00 15.68 C ATOM 1801 CG GLN B 92 46.125 8.131 33.783 1.00 17.17 C ATOM 1802 CD GLN B 92 46.962 7.085 33.034 1.00 16.77 C ATOM 1803 OE1 GLN B 92 47.236 5.966 33.605 1.00 17.74 O ATOM 1804 NE2 GLN B 92 47.432 7.418 31.830 1.00 16.10 N ATOM 1805 HE22 GLN B 92 47.182 8.336 31.410 1.00 0.00 H ATOM 1806 HE21 GLN B 92 48.049 6.760 31.312 1.00 0.00 H ATOM 1807 H GLN B 92 42.111 8.112 33.277 1.00 0.00 H ATOM 1808 N CYS B 93 43.313 10.841 33.877 1.00 16.00 N ATOM 1809 CA CYS B 93 43.477 12.261 33.935 1.00 16.33 C ATOM 1810 C CYS B 93 42.234 13.126 34.103 1.00 16.26 C ATOM 1811 O CYS B 93 42.322 14.353 34.275 1.00 18.27 O ATOM 1812 CB CYS B 93 44.205 12.779 32.663 1.00 17.42 C ATOM 1813 SG CYS B 93 43.202 12.879 31.213 1.00 17.09 S ATOM 1814 H CYS B 93 42.725 10.434 33.122 1.00 0.00 H ATOM 1815 N GLY B 94 41.058 12.530 33.997 1.00 15.56 N ATOM 1816 CA GLY B 94 39.814 13.247 34.137 1.00 15.58 C ATOM 1817 C GLY B 94 39.205 13.918 32.953 1.00 15.92 C ATOM 1818 O GLY B 94 38.089 14.418 33.023 1.00 16.21 O ATOM 1819 H GLY B 94 41.029 11.508 33.806 1.00 0.00 H ATOM 1820 N SER B 95 39.859 13.825 31.795 1.00 15.53 N ATOM 1821 CA SER B 95 39.275 14.414 30.565 1.00 15.51 C ATOM 1822 C SER B 95 37.910 13.870 30.278 1.00 14.67 C ATOM 1823 O SER B 95 37.707 12.661 30.411 1.00 13.85 O ATOM 1824 CB SER B 95 40.212 14.157 29.441 1.00 16.90 C ATOM 1825 OG SER B 95 39.765 14.758 28.229 1.00 18.01 O ATOM 1826 HG SER B 95 39.692 15.737 28.355 1.00 0.00 H ATOM 1827 H SER B 95 40.778 13.340 31.754 1.00 0.00 H ATOM 1828 N HIS B 96 36.938 14.683 29.889 1.00 14.41 N ATOM 1829 CA HIS B 96 35.607 14.181 29.568 1.00 14.32 C ATOM 1830 C HIS B 96 35.636 13.610 28.205 1.00 13.37 C ATOM 1831 O HIS B 96 35.712 14.320 27.188 1.00 15.06 O ATOM 1832 CB HIS B 96 34.562 15.272 29.674 1.00 14.71 C ATOM 1833 CG HIS B 96 33.214 14.838 29.220 1.00 16.69 C ATOM 1834 ND1 HIS B 96 32.349 15.667 28.534 1.00 17.43 N ATOM 1835 CD2 HIS B 96 32.638 13.602 29.204 1.00 15.18 C ATOM 1836 CE1 HIS B 96 31.279 14.966 28.198 1.00 18.39 C ATOM 1837 NE2 HIS B 96 31.423 13.722 28.627 1.00 16.02 N ATOM 1838 H HIS B 96 37.129 15.702 29.811 1.00 0.00 H ATOM 1839 N LEU B 97 35.604 12.255 28.105 1.00 11.74 N ATOM 1840 CA LEU B 97 35.791 11.590 26.830 1.00 11.99 C ATOM 1841 C LEU B 97 34.476 11.187 26.176 1.00 11.48 C ATOM 1842 O LEU B 97 34.492 10.851 25.017 1.00 11.97 O ATOM 1843 CB LEU B 97 36.726 10.395 26.958 1.00 12.06 C ATOM 1844 CG LEU B 97 38.166 10.734 27.343 1.00 12.71 C ATOM 1845 CD1 LEU B 97 39.054 9.498 27.320 1.00 13.85 C ATOM 1846 CD2 LEU B 97 38.808 11.850 26.525 1.00 14.56 C ATOM 1847 H LEU B 97 35.442 11.684 28.959 1.00 0.00 H ATOM 1848 N GLY B 98 33.372 11.129 26.867 1.00 10.94 N ATOM 1849 CA GLY B 98 32.091 10.814 26.284 1.00 11.05 C ATOM 1850 C GLY B 98 31.075 10.329 27.304 1.00 10.06 C ATOM 1851 O GLY B 98 30.983 10.875 28.407 1.00 10.30 O ATOM 1852 H GLY B 98 33.417 11.319 27.888 1.00 0.00 H ATOM 1853 N TRP B 99 30.395 9.261 26.923 1.00 9.65 N ATOM 1854 CA TRP B 99 29.289 8.720 27.710 1.00 10.04 C ATOM 1855 C TRP B 99 29.251 7.216 27.512 1.00 9.92 C ATOM 1856 O TRP B 99 29.585 6.702 26.448 1.00 10.88 O ATOM 1857 CB TRP B 99 27.915 9.289 27.301 1.00 9.74 C ATOM 1858 CG TRP B 99 27.840 10.777 27.437 1.00 10.32 C ATOM 1859 CD1 TRP B 99 27.388 11.431 28.500 1.00 11.90 C ATOM 1860 CD2 TRP B 99 28.303 11.794 26.515 1.00 11.12 C ATOM 1861 NE1 TRP B 99 27.508 12.819 28.385 1.00 12.46 N ATOM 1862 CE2 TRP B 99 28.060 13.052 27.163 1.00 11.54 C ATOM 1863 CE3 TRP B 99 28.881 11.779 25.249 1.00 12.36 C ATOM 1864 CZ2 TRP B 99 28.342 14.260 26.522 1.00 13.05 C ATOM 1865 CZ3 TRP B 99 29.222 13.069 24.704 1.00 12.70 C ATOM 1866 CH2 TRP B 99 28.913 14.185 25.324 1.00 12.75 C ATOM 1867 HE1 TRP B 99 27.231 13.530 29.091 1.00 0.00 H ATOM 1868 H TRP B 99 30.656 8.790 26.033 1.00 0.00 H ATOM 1869 N HIS B 100 28.778 6.527 28.525 1.00 10.27 N ATOM 1870 CA HIS B 100 28.406 5.117 28.436 1.00 10.18 C ATOM 1871 C HIS B 100 26.931 4.940 28.361 1.00 10.58 C ATOM 1872 O HIS B 100 26.202 5.670 29.058 1.00 12.75 O ATOM 1873 CB HIS B 100 28.919 4.351 29.660 1.00 11.12 C ATOM 1874 CG HIS B 100 28.766 2.862 29.529 1.00 12.22 C ATOM 1875 ND1 HIS B 100 28.199 2.030 30.483 1.00 18.63 N ATOM 1876 CD2 HIS B 100 29.234 2.074 28.522 1.00 14.28 C ATOM 1877 CE1 HIS B 100 28.338 0.792 29.957 1.00 15.41 C ATOM 1878 NE2 HIS B 100 28.951 0.767 28.804 1.00 17.53 N ATOM 1879 H HIS B 100 28.662 7.010 29.438 1.00 0.00 H ATOM 1880 N TYR B 101 26.454 4.063 27.488 1.00 10.85 N ATOM 1881 CA TYR B 101 25.054 3.796 27.279 1.00 10.83 C ATOM 1882 C TYR B 101 24.733 2.395 27.780 1.00 11.51 C ATOM 1883 O TYR B 101 25.483 1.472 27.541 1.00 12.96 O ATOM 1884 CB TYR B 101 24.702 3.952 25.798 1.00 10.22 C ATOM 1885 CG TYR B 101 24.769 5.409 25.392 1.00 10.68 C ATOM 1886 CD1 TYR B 101 23.690 6.241 25.610 1.00 10.69 C ATOM 1887 CD2 TYR B 101 25.933 5.964 24.883 1.00 10.38 C ATOM 1888 CE1 TYR B 101 23.796 7.589 25.318 1.00 10.83 C ATOM 1889 CE2 TYR B 101 26.040 7.316 24.645 1.00 9.80 C ATOM 1890 CZ TYR B 101 24.955 8.085 24.852 1.00 10.84 C ATOM 1891 OH TYR B 101 25.088 9.488 24.583 1.00 12.57 O ATOM 1892 HH TYR B 101 24.229 9.942 24.772 1.00 0.00 H ATOM 1893 H TYR B 101 27.139 3.531 26.914 1.00 0.00 H ATOM 1894 N GLU B 102 23.565 2.252 28.378 1.00 12.50 N ATOM 1895 CA GLU B 102 23.167 0.942 28.940 1.00 14.56 C ATOM 1896 C GLU B 102 21.637 0.844 28.876 1.00 16.77 C ATOM 1897 O GLU B 102 20.885 1.773 28.756 1.00 14.50 O ATOM 1898 CB GLU B 102 23.611 0.826 30.392 1.00 17.47 C ATOM 1899 CG GLU B 102 22.971 1.705 31.366 1.00 21.01 C ATOM 1900 CD GLU B 102 23.582 1.590 32.771 1.00 26.92 C ATOM 1901 OE1 GLU B 102 24.747 2.027 33.014 1.00 30.70 O ATOM 1902 OE2 GLU B 102 22.853 1.082 33.678 1.00 36.08 O ATOM 1903 H GLU B 102 22.921 3.065 28.455 1.00 0.00 H ATOM 1904 N GLY B 103 21.217 -0.391 29.174 1.00 20.64 N ATOM 1905 CA GLY B 103 19.767 -0.663 29.377 1.00 22.56 C ATOM 1906 C GLY B 103 19.063 -0.929 28.113 1.00 25.99 C ATOM 1907 O GLY B 103 17.813 -1.129 28.149 1.00 27.17 O ATOM 1908 H GLY B 103 21.906 -1.164 29.264 1.00 0.00 H ATOM 1909 N GLY B 104 19.753 -1.017 27.001 1.00 24.06 N ATOM 1910 CA GLY B 104 19.197 -1.489 25.708 1.00 27.59 C ATOM 1911 C GLY B 104 19.267 -2.993 25.467 1.00 28.22 C ATOM 1912 O GLY B 104 19.471 -3.806 26.367 1.00 27.41 O ATOM 1913 H GLY B 104 20.755 -0.738 27.027 1.00 0.00 H ATOM 1914 N SER B 105 18.989 -3.377 24.227 1.00 31.47 N ATOM 1915 CA SER B 105 19.272 -4.729 23.744 1.00 34.62 C ATOM 1916 C SER B 105 20.011 -4.693 22.439 1.00 31.00 C ATOM 1917 O SER B 105 19.848 -3.763 21.670 1.00 33.36 O ATOM 1918 CB SER B 105 17.981 -5.521 23.587 1.00 39.07 C ATOM 1919 OG SER B 105 17.107 -4.886 22.658 1.00 43.83 O ATOM 1920 HG SER B 105 17.553 -4.824 21.776 1.00 0.00 H ATOM 1921 H SER B 105 18.555 -2.693 23.576 1.00 0.00 H ATOM 1922 N GLN B 106 20.942 -5.623 22.262 1.00 30.29 N ATOM 1923 CA GLN B 106 21.677 -5.791 21.037 1.00 31.15 C ATOM 1924 C GLN B 106 22.285 -4.492 20.473 1.00 30.14 C ATOM 1925 O GLN B 106 21.907 -4.032 19.377 1.00 33.40 O ATOM 1926 CB GLN B 106 20.800 -6.493 19.959 1.00 36.19 C ATOM 1927 CG GLN B 106 20.258 -7.848 20.358 1.00 38.95 C ATOM 1928 CD GLN B 106 19.293 -8.428 19.311 1.00 43.58 C ATOM 1929 OE1 GLN B 106 18.267 -8.999 19.650 1.00 45.79 O ATOM 1930 NE2 GLN B 106 19.625 -8.267 18.027 1.00 47.43 N ATOM 1931 HE22 GLN B 106 20.506 -7.776 17.775 1.00 0.00 H ATOM 1932 HE21 GLN B 106 19.002 -8.633 17.279 1.00 0.00 H ATOM 1933 H GLN B 106 21.151 -6.265 23.053 1.00 0.00 H ATOM 1934 N PRO B 107 23.265 -3.898 21.154 1.00 23.47 N ATOM 1935 CA PRO B 107 23.857 -4.387 22.389 1.00 23.45 C ATOM 1936 C PRO B 107 23.227 -3.810 23.620 1.00 21.36 C ATOM 1937 O PRO B 107 22.605 -2.730 23.591 1.00 24.06 O ATOM 1938 CB PRO B 107 25.291 -3.937 22.245 1.00 22.36 C ATOM 1939 CG PRO B 107 25.171 -2.623 21.553 1.00 22.80 C ATOM 1940 CD PRO B 107 24.043 -2.784 20.556 1.00 24.26 C ATOM 1941 N GLN B 108 23.464 -4.415 24.730 1.00 19.01 N ATOM 1942 CA GLN B 108 22.943 -3.896 25.986 1.00 18.85 C ATOM 1943 C GLN B 108 23.686 -2.642 26.404 1.00 17.37 C ATOM 1944 O GLN B 108 23.013 -1.805 27.054 1.00 19.56 O ATOM 1945 CB GLN B 108 23.025 -4.946 27.074 1.00 19.66 C ATOM 1946 CG GLN B 108 21.983 -6.072 26.906 1.00 24.26 C ATOM 1947 CD GLN B 108 22.083 -7.077 28.053 1.00 27.66 C ATOM 1948 OE1 GLN B 108 22.288 -6.686 29.235 1.00 34.15 O ATOM 1949 NE2 GLN B 108 21.951 -8.378 27.757 1.00 34.00 N ATOM 1950 HE22 GLN B 108 21.783 -8.673 26.774 1.00 0.00 H ATOM 1951 HE21 GLN B 108 22.017 -9.092 28.510 1.00 0.00 H ATOM 1952 H GLN B 108 24.034 -5.285 24.730 1.00 0.00 H ATOM 1953 N THR B 109 24.982 -2.574 26.082 1.00 16.10 N ATOM 1954 CA THR B 109 25.795 -1.428 26.466 1.00 16.22 C ATOM 1955 C THR B 109 26.731 -1.061 25.330 1.00 15.09 C ATOM 1956 O THR B 109 27.115 -1.879 24.518 1.00 16.13 O ATOM 1957 CB THR B 109 26.523 -1.689 27.737 1.00 17.50 C ATOM 1958 OG1 THR B 109 27.474 -2.627 27.509 1.00 17.48 O ATOM 1959 CG2 THR B 109 25.650 -2.108 28.908 1.00 19.74 C ATOM 1960 HG1 THR B 109 27.044 -3.460 27.190 1.00 0.00 H ATOM 1961 H THR B 109 25.417 -3.353 25.548 1.00 0.00 H ATOM 1962 N PHE B 110 27.149 0.209 25.274 1.00 12.53 N ATOM 1963 CA PHE B 110 28.151 0.703 24.378 1.00 11.46 C ATOM 1964 C PHE B 110 28.594 2.066 24.782 1.00 10.90 C ATOM 1965 O PHE B 110 28.010 2.644 25.737 1.00 11.74 O ATOM 1966 CB PHE B 110 27.653 0.732 22.901 1.00 12.21 C ATOM 1967 CG PHE B 110 26.545 1.722 22.637 1.00 11.88 C ATOM 1968 CD1 PHE B 110 25.220 1.455 22.924 1.00 12.98 C ATOM 1969 CD2 PHE B 110 26.872 2.985 22.167 1.00 12.35 C ATOM 1970 CE1 PHE B 110 24.257 2.416 22.680 1.00 13.53 C ATOM 1971 CE2 PHE B 110 25.911 3.930 21.932 1.00 12.64 C ATOM 1972 CZ PHE B 110 24.616 3.653 22.192 1.00 13.40 C ATOM 1973 H PHE B 110 26.714 0.888 25.930 1.00 0.00 H ATOM 1974 N PHE B 111 29.616 2.627 24.155 1.00 10.56 N ATOM 1975 CA PHE B 111 30.095 3.970 24.470 1.00 10.13 C ATOM 1976 C PHE B 111 29.896 4.901 23.310 1.00 9.96 C ATOM 1977 O PHE B 111 30.082 4.510 22.143 1.00 11.65 O ATOM 1978 CB PHE B 111 31.610 3.914 24.782 1.00 10.81 C ATOM 1979 CG PHE B 111 31.916 3.255 26.081 1.00 10.87 C ATOM 1980 CD1 PHE B 111 32.033 1.843 26.139 1.00 11.55 C ATOM 1981 CD2 PHE B 111 32.061 4.018 27.210 1.00 11.13 C ATOM 1982 CE1 PHE B 111 32.292 1.280 27.353 1.00 13.63 C ATOM 1983 CE2 PHE B 111 32.375 3.428 28.459 1.00 13.63 C ATOM 1984 CZ PHE B 111 32.491 2.041 28.455 1.00 12.47 C ATOM 1985 H PHE B 111 30.098 2.089 23.407 1.00 0.00 H ATOM 1986 N GLY B 112 29.641 6.143 23.614 1.00 9.79 N ATOM 1987 CA GLY B 112 29.738 7.222 22.622 1.00 10.38 C ATOM 1988 C GLY B 112 30.840 8.142 23.042 1.00 9.78 C ATOM 1989 O GLY B 112 30.739 8.814 24.088 1.00 10.71 O ATOM 1990 H GLY B 112 29.361 6.377 24.588 1.00 0.00 H ATOM 1991 N LEU B 113 31.954 8.136 22.330 1.00 10.11 N ATOM 1992 CA LEU B 113 33.154 8.845 22.724 1.00 10.55 C ATOM 1993 C LEU B 113 33.369 10.065 21.817 1.00 10.13 C ATOM 1994 O LEU B 113 33.100 10.006 20.605 1.00 11.48 O ATOM 1995 CB LEU B 113 34.396 8.005 22.719 1.00 10.78 C ATOM 1996 CG LEU B 113 34.277 6.788 23.641 1.00 11.43 C ATOM 1997 CD1 LEU B 113 35.539 5.946 23.579 1.00 12.40 C ATOM 1998 CD2 LEU B 113 33.972 7.114 25.048 1.00 11.93 C ATOM 1999 H LEU B 113 31.969 7.595 21.442 1.00 0.00 H ATOM 2000 N ILE B 114 33.835 11.152 22.351 1.00 10.37 N ATOM 2001 CA ILE B 114 34.036 12.434 21.606 1.00 11.25 C ATOM 2002 C ILE B 114 35.295 12.300 20.806 1.00 10.98 C ATOM 2003 O ILE B 114 36.416 12.251 21.357 1.00 12.21 O ATOM 2004 CB ILE B 114 34.062 13.569 22.560 1.00 11.97 C ATOM 2005 CG1 ILE B 114 32.785 13.677 23.388 1.00 12.10 C ATOM 2006 CG2 ILE B 114 34.364 14.862 21.812 1.00 13.17 C ATOM 2007 CD1 ILE B 114 32.930 14.555 24.610 1.00 12.68 C ATOM 2008 H ILE B 114 34.084 11.131 23.360 1.00 0.00 H ATOM 2009 N LYS B 115 35.166 12.215 19.473 1.00 11.37 N ATOM 2010 CA LYS B 115 36.295 11.904 18.591 1.00 12.05 C ATOM 2011 C LYS B 115 37.412 12.867 18.757 1.00 12.79 C ATOM 2012 O LYS B 115 38.588 12.401 18.805 1.00 13.51 O ATOM 2013 CB LYS B 115 35.790 11.935 17.139 1.00 12.91 C ATOM 2014 CG LYS B 115 36.847 11.810 16.033 1.00 14.30 C ATOM 2015 CD LYS B 115 37.531 10.492 16.078 1.00 14.84 C ATOM 2016 CE LYS B 115 38.450 10.276 14.885 1.00 16.18 C ATOM 2017 NZ LYS B 115 39.482 11.299 14.695 1.00 17.10 N ATOM 2018 HZ1 LYS B 115 39.029 12.225 14.555 1.00 0.00 H ATOM 2019 HZ2 LYS B 115 40.093 11.334 15.536 1.00 0.00 H ATOM 2020 HZ3 LYS B 115 40.054 11.062 13.859 1.00 0.00 H ATOM 2021 H LYS B 115 34.230 12.376 19.050 1.00 0.00 H ATOM 2022 N ASP B 116 37.141 14.159 18.894 1.00 12.51 N ATOM 2023 CA ASP B 116 38.189 15.204 19.089 1.00 13.81 C ATOM 2024 C ASP B 116 38.987 15.085 20.340 1.00 14.32 C ATOM 2025 O ASP B 116 40.026 15.759 20.467 1.00 16.62 O ATOM 2026 CB ASP B 116 37.542 16.623 19.118 1.00 14.19 C ATOM 2027 CG ASP B 116 36.959 17.065 17.773 1.00 14.77 C ATOM 2028 OD1 ASP B 116 36.094 18.013 17.744 1.00 16.40 O ATOM 2029 OD2 ASP B 116 37.422 16.543 16.754 1.00 15.23 O ATOM 2030 H ASP B 116 36.146 14.459 18.864 1.00 0.00 H ATOM 2031 N ARG B 117 38.530 14.289 21.307 1.00 13.27 N ATOM 2032 CA ARG B 117 39.228 14.098 22.588 1.00 14.15 C ATOM 2033 C ARG B 117 40.010 12.833 22.624 1.00 13.16 C ATOM 2034 O ARG B 117 40.608 12.508 23.663 1.00 14.10 O ATOM 2035 CB ARG B 117 38.218 14.193 23.702 1.00 15.72 C ATOM 2036 CG ARG B 117 37.535 15.567 23.662 1.00 19.74 C ATOM 2037 CD ARG B 117 36.766 15.914 24.810 1.00 24.59 C ATOM 2038 NE ARG B 117 36.080 17.199 24.595 1.00 28.77 N ATOM 2039 CZ ARG B 117 35.262 17.713 25.484 1.00 30.73 C ATOM 2040 NH1 ARG B 117 35.085 17.099 26.564 1.00 25.27 N ATOM 2041 NH2 ARG B 117 34.642 18.896 25.267 1.00 33.77 N ATOM 2042 HE ARG B 117 36.249 17.717 23.709 1.00 0.00 H ATOM 2043 HH12 ARG B 117 34.442 17.487 27.283 1.00 0.00 H ATOM 2044 HH11 ARG B 117 35.582 16.202 26.740 1.00 0.00 H ATOM 2045 HH22 ARG B 117 33.998 19.285 25.985 1.00 0.00 H ATOM 2046 HH21 ARG B 117 34.810 19.416 24.382 1.00 0.00 H ATOM 2047 H ARG B 117 37.638 13.779 21.148 1.00 0.00 H ATOM 2048 N LEU B 118 40.088 12.118 21.515 1.00 12.74 N ATOM 2049 CA LEU B 118 40.805 10.886 21.379 1.00 12.64 C ATOM 2050 C LEU B 118 41.946 11.115 20.360 1.00 12.62 C ATOM 2051 O LEU B 118 41.841 12.004 19.498 1.00 14.92 O ATOM 2052 CB LEU B 118 39.972 9.743 20.909 1.00 13.26 C ATOM 2053 CG LEU B 118 38.727 9.410 21.740 1.00 13.67 C ATOM 2054 CD1 LEU B 118 37.896 8.368 21.057 1.00 14.94 C ATOM 2055 CD2 LEU B 118 39.177 8.921 23.111 1.00 15.87 C ATOM 2056 H LEU B 118 39.590 12.478 20.676 1.00 0.00 H ATOM 2057 N ALA B 119 42.985 10.305 20.428 1.00 12.35 N ATOM 2058 CA ALA B 119 44.073 10.299 19.435 1.00 12.97 C ATOM 2059 C ALA B 119 44.211 8.907 18.981 1.00 12.84 C ATOM 2060 O ALA B 119 44.477 7.987 19.783 1.00 14.71 O ATOM 2061 CB ALA B 119 45.365 10.786 20.087 1.00 14.80 C ATOM 2062 H ALA B 119 43.039 9.637 21.223 1.00 0.00 H ATOM 2063 N GLU B 120 44.159 8.651 17.680 1.00 13.18 N ATOM 2064 CA GLU B 120 44.296 7.308 17.115 1.00 14.09 C ATOM 2065 C GLU B 120 45.718 7.114 16.733 1.00 14.71 C ATOM 2066 O GLU B 120 46.411 7.993 16.214 1.00 14.34 O ATOM 2067 CB GLU B 120 43.410 7.179 15.874 1.00 15.59 C ATOM 2068 CG GLU B 120 43.242 5.750 15.356 1.00 17.08 C ATOM 2069 CD GLU B 120 42.192 5.614 14.230 1.00 17.55 C ATOM 2070 OE1 GLU B 120 41.817 6.606 13.718 1.00 22.51 O ATOM 2071 OE2 GLU B 120 41.938 4.434 13.920 1.00 24.31 O ATOM 2072 H GLU B 120 44.013 9.447 17.027 1.00 0.00 H ATOM 2073 N GLY B 121 46.209 5.874 16.916 1.00 15.94 N ATOM 2074 CA GLY B 121 47.632 5.619 16.747 1.00 18.85 C ATOM 2075 C GLY B 121 47.886 4.145 16.852 1.00 21.91 C ATOM 2076 O GLY B 121 47.000 3.364 17.157 1.00 21.50 O ATOM 2077 H GLY B 121 45.570 5.097 17.179 1.00 0.00 H ATOM 2078 N PRO B 122 49.101 3.740 16.541 1.00 23.88 N ATOM 2079 CA PRO B 122 49.394 2.296 16.636 1.00 25.29 C ATOM 2080 C PRO B 122 49.420 1.789 18.055 1.00 27.86 C ATOM 2081 O PRO B 122 49.712 2.520 19.007 1.00 28.05 O ATOM 2082 CB PRO B 122 50.800 2.155 16.018 1.00 25.95 C ATOM 2083 CG PRO B 122 51.173 3.481 15.567 1.00 28.32 C ATOM 2084 CD PRO B 122 50.221 4.551 16.026 1.00 25.56 C ATOM 2085 N ALA B 123 49.053 0.539 18.147 1.00 29.73 N ATOM 2086 CA ALA B 123 48.907 -0.138 19.441 1.00 33.23 C ATOM 2087 C ALA B 123 50.282 -0.427 20.084 1.00 39.74 C ATOM 2088 O ALA B 123 51.288 -0.466 19.336 1.00 41.24 O ATOM 2089 CB ALA B 123 48.171 -1.441 19.173 1.00 36.10 C ATOM 2090 H ALA B 123 48.858 0.006 17.275 1.00 0.00 H TER 2091 ALA B 123 ATOM 2092 N GLY C 18 22.781 11.704 -12.910 1.00 35.61 N ATOM 2093 CA GLY C 18 23.871 11.642 -11.853 1.00 34.54 C ATOM 2094 C GLY C 18 24.122 10.257 -11.339 1.00 34.42 C ATOM 2095 O GLY C 18 24.744 10.112 -10.311 1.00 35.54 O ATOM 2096 HN3 GLY C 18 21.889 11.353 -12.507 1.00 0.00 H ATOM 2097 HN2 GLY C 18 23.053 11.113 -13.722 1.00 0.00 H ATOM 2098 HN1 GLY C 18 22.658 12.688 -13.222 1.00 0.00 H ATOM 2099 N ALA C 19 23.682 9.221 -12.047 1.00 33.26 N ATOM 2100 CA ALA C 19 23.827 7.864 -11.536 1.00 33.01 C ATOM 2101 C ALA C 19 24.387 7.004 -12.634 1.00 31.27 C ATOM 2102 O ALA C 19 23.796 6.037 -13.134 1.00 35.09 O ATOM 2103 CB ALA C 19 22.499 7.313 -11.088 1.00 36.09 C ATOM 2104 H ALA C 19 23.232 9.380 -12.971 1.00 0.00 H ATOM 2105 N SER C 20 25.588 7.367 -13.046 1.00 25.36 N ATOM 2106 CA SER C 20 26.267 6.804 -14.151 1.00 23.79 C ATOM 2107 C SER C 20 27.484 5.921 -13.846 1.00 21.24 C ATOM 2108 O SER C 20 27.694 4.903 -14.504 1.00 19.97 O ATOM 2109 CB SER C 20 26.687 7.961 -14.975 1.00 26.19 C ATOM 2110 OG SER C 20 27.232 7.495 -16.181 1.00 26.29 O ATOM 2111 HG SER C 20 28.016 6.922 -15.988 1.00 0.00 H ATOM 2112 H SER C 20 26.070 8.123 -12.519 1.00 0.00 H ATOM 2113 N ILE C 21 28.256 6.331 -12.882 1.00 18.78 N ATOM 2114 CA ILE C 21 29.445 5.607 -12.426 1.00 17.87 C ATOM 2115 C ILE C 21 29.248 5.196 -10.963 1.00 17.26 C ATOM 2116 O ILE C 21 28.640 5.970 -10.138 1.00 17.80 O ATOM 2117 CB ILE C 21 30.707 6.470 -12.565 1.00 19.24 C ATOM 2118 CG1 ILE C 21 30.936 6.850 -14.042 1.00 22.82 C ATOM 2119 CG2 ILE C 21 31.858 5.773 -11.914 1.00 18.25 C ATOM 2120 CD1 ILE C 21 31.168 5.787 -15.073 1.00 25.96 C ATOM 2121 H ILE C 21 28.015 7.225 -12.408 1.00 0.00 H ATOM 2122 N PHE C 22 29.666 3.981 -10.660 1.00 16.44 N ATOM 2123 CA PHE C 22 29.467 3.387 -9.321 1.00 15.64 C ATOM 2124 C PHE C 22 30.828 3.180 -8.741 1.00 15.98 C ATOM 2125 O PHE C 22 31.762 2.635 -9.374 1.00 16.05 O ATOM 2126 CB PHE C 22 28.749 2.034 -9.436 1.00 15.85 C ATOM 2127 CG PHE C 22 27.346 2.185 -10.012 1.00 18.12 C ATOM 2128 CD1 PHE C 22 26.257 2.508 -9.222 1.00 21.52 C ATOM 2129 CD2 PHE C 22 27.217 2.212 -11.422 1.00 19.88 C ATOM 2130 CE1 PHE C 22 25.012 2.699 -9.854 1.00 23.44 C ATOM 2131 CE2 PHE C 22 25.988 2.432 -11.994 1.00 21.51 C ATOM 2132 CZ PHE C 22 24.923 2.760 -11.196 1.00 22.71 C ATOM 2133 H PHE C 22 30.153 3.422 -11.389 1.00 0.00 H ATOM 2134 N ARG C 23 30.994 3.662 -7.507 1.00 16.81 N ATOM 2135 CA ARG C 23 32.281 3.651 -6.792 1.00 17.51 C ATOM 2136 C ARG C 23 32.149 3.133 -5.385 1.00 16.95 C ATOM 2137 O ARG C 23 31.068 3.165 -4.824 1.00 19.34 O ATOM 2138 CB ARG C 23 32.788 5.126 -6.625 1.00 20.74 C ATOM 2139 CG ARG C 23 33.020 5.838 -7.902 1.00 24.56 C ATOM 2140 CD ARG C 23 33.130 7.358 -7.573 1.00 26.12 C ATOM 2141 NE ARG C 23 33.302 7.848 -8.827 1.00 31.36 N ATOM 2142 CZ ARG C 23 34.351 7.573 -9.447 1.00 27.73 C ATOM 2143 NH1 ARG C 23 35.421 6.954 -8.746 1.00 27.85 N ATOM 2144 NH2 ARG C 23 34.359 8.014 -10.679 1.00 31.46 N ATOM 2145 HE ARG C 23 32.571 8.444 -9.265 1.00 0.00 H ATOM 2146 HH12 ARG C 23 36.302 6.718 -9.245 1.00 0.00 H ATOM 2147 HH11 ARG C 23 35.323 6.737 -7.734 1.00 0.00 H ATOM 2148 HH22 ARG C 23 35.184 7.841 -11.288 1.00 0.00 H ATOM 2149 HH21 ARG C 23 33.540 8.537 -11.049 1.00 0.00 H ATOM 2150 H ARG C 23 30.168 4.068 -7.024 1.00 0.00 H ATOM 2151 N CYS C 24 33.223 2.666 -4.782 1.00 15.41 N ATOM 2152 CA CYS C 24 33.217 2.281 -3.375 1.00 16.09 C ATOM 2153 C CYS C 24 32.803 3.438 -2.505 1.00 17.02 C ATOM 2154 O CYS C 24 33.357 4.486 -2.567 1.00 17.69 O ATOM 2155 CB CYS C 24 34.607 1.742 -2.978 1.00 14.72 C ATOM 2156 SG CYS C 24 34.727 1.337 -1.236 1.00 15.83 S ATOM 2157 H CYS C 24 34.104 2.569 -5.327 1.00 0.00 H ATOM 2158 N ARG C 25 31.798 3.197 -1.663 1.00 18.54 N ATOM 2159 CA ARG C 25 31.326 4.264 -0.766 1.00 23.34 C ATOM 2160 C ARG C 25 32.362 4.667 0.275 1.00 23.06 C ATOM 2161 O ARG C 25 32.363 5.821 0.719 1.00 24.82 O ATOM 2162 CB ARG C 25 30.039 3.772 -0.102 1.00 25.73 C ATOM 2163 CG ARG C 25 29.606 4.420 1.163 1.00 29.27 C ATOM 2164 CD ARG C 25 28.412 3.767 1.713 1.00 29.80 C ATOM 2165 NE ARG C 25 28.009 4.469 2.913 1.00 34.80 N ATOM 2166 CZ ARG C 25 26.837 4.261 3.525 1.00 36.69 C ATOM 2167 NH1 ARG C 25 25.927 3.413 3.019 1.00 34.95 N ATOM 2168 NH2 ARG C 25 26.546 4.970 4.602 1.00 37.71 N ATOM 2169 HE ARG C 25 28.662 5.169 3.319 1.00 0.00 H ATOM 2170 HH12 ARG C 25 25.023 3.266 3.511 1.00 0.00 H ATOM 2171 HH11 ARG C 25 26.127 2.903 2.135 1.00 0.00 H ATOM 2172 HH22 ARG C 25 25.640 4.823 5.092 1.00 0.00 H ATOM 2173 HH21 ARG C 25 27.223 5.674 4.959 1.00 0.00 H ATOM 2174 H ARG C 25 31.349 2.259 -1.640 1.00 0.00 H ATOM 2175 N GLN C 26 33.220 3.760 0.659 1.00 22.93 N ATOM 2176 CA GLN C 26 34.214 4.036 1.716 1.00 24.12 C ATOM 2177 C GLN C 26 35.425 4.785 1.280 1.00 25.49 C ATOM 2178 O GLN C 26 35.941 5.652 2.002 1.00 26.88 O ATOM 2179 CB GLN C 26 34.642 2.711 2.323 1.00 26.02 C ATOM 2180 CG GLN C 26 33.545 2.077 3.046 1.00 29.39 C ATOM 2181 CD GLN C 26 32.977 2.946 4.163 1.00 33.61 C ATOM 2182 OE1 GLN C 26 31.741 2.993 4.363 1.00 38.62 O ATOM 2183 NE2 GLN C 26 33.849 3.592 4.917 1.00 37.14 N ATOM 2184 HE22 GLN C 26 34.866 3.522 4.712 1.00 0.00 H ATOM 2185 HE21 GLN C 26 33.518 4.170 5.716 1.00 0.00 H ATOM 2186 H GLN C 26 33.203 2.822 0.210 1.00 0.00 H ATOM 2187 N CYS C 27 35.899 4.540 0.051 1.00 19.98 N ATOM 2188 CA CYS C 27 37.138 5.146 -0.394 1.00 20.15 C ATOM 2189 C CYS C 27 37.063 5.800 -1.769 1.00 21.42 C ATOM 2190 O CYS C 27 38.004 6.471 -2.173 1.00 23.23 O ATOM 2191 CB CYS C 27 38.255 4.103 -0.375 1.00 18.84 C ATOM 2192 SG CYS C 27 38.192 2.928 -1.735 1.00 16.62 S ATOM 2193 H CYS C 27 35.374 3.910 -0.589 1.00 0.00 H ATOM 2194 N GLY C 28 35.996 5.565 -2.519 1.00 19.18 N ATOM 2195 CA GLY C 28 35.866 6.178 -3.819 1.00 19.66 C ATOM 2196 C GLY C 28 36.392 5.426 -5.028 1.00 17.36 C ATOM 2197 O GLY C 28 36.256 5.875 -6.131 1.00 18.35 O ATOM 2198 H GLY C 28 35.247 4.934 -2.168 1.00 0.00 H ATOM 2199 N GLN C 29 37.010 4.240 -4.818 1.00 16.39 N ATOM 2200 CA GLN C 29 37.492 3.443 -5.904 1.00 15.34 C ATOM 2201 C GLN C 29 36.438 3.238 -7.001 1.00 14.92 C ATOM 2202 O GLN C 29 35.331 2.849 -6.686 1.00 15.85 O ATOM 2203 CB GLN C 29 37.860 2.049 -5.368 1.00 16.13 C ATOM 2204 CG GLN C 29 38.225 0.970 -6.368 1.00 15.49 C ATOM 2205 CD GLN C 29 39.663 0.954 -6.735 1.00 16.87 C ATOM 2206 OE1 GLN C 29 40.210 1.971 -6.929 1.00 19.00 O ATOM 2207 NE2 GLN C 29 40.313 -0.166 -6.777 1.00 17.38 N ATOM 2208 HE22 GLN C 29 39.816 -1.063 -6.603 1.00 0.00 H ATOM 2209 HE21 GLN C 29 41.332 -0.168 -6.985 1.00 0.00 H ATOM 2210 H GLN C 29 37.138 3.900 -3.843 1.00 0.00 H ATOM 2211 N THR C 30 36.781 3.443 -8.253 1.00 15.84 N ATOM 2212 CA THR C 30 35.868 3.261 -9.337 1.00 16.26 C ATOM 2213 C THR C 30 35.619 1.775 -9.526 1.00 14.64 C ATOM 2214 O THR C 30 36.570 0.999 -9.589 1.00 15.97 O ATOM 2215 CB THR C 30 36.436 3.812 -10.626 1.00 18.50 C ATOM 2216 OG1 THR C 30 36.829 5.192 -10.405 1.00 22.67 O ATOM 2217 CG2 THR C 30 35.424 3.711 -11.754 1.00 20.76 C ATOM 2218 HG1 THR C 30 37.203 5.565 -11.242 1.00 0.00 H ATOM 2219 H THR C 30 37.753 3.749 -8.462 1.00 0.00 H ATOM 2220 N ILE C 31 34.350 1.352 -9.631 1.00 13.93 N ATOM 2221 CA ILE C 31 34.001 -0.059 -9.734 1.00 13.80 C ATOM 2222 C ILE C 31 33.272 -0.410 -11.037 1.00 14.86 C ATOM 2223 O ILE C 31 33.661 -1.338 -11.718 1.00 15.02 O ATOM 2224 CB ILE C 31 33.171 -0.523 -8.520 1.00 14.08 C ATOM 2225 CG1 ILE C 31 33.844 -0.232 -7.190 1.00 14.84 C ATOM 2226 CG2 ILE C 31 32.805 -1.989 -8.643 1.00 15.71 C ATOM 2227 CD1 ILE C 31 35.161 -0.973 -6.971 1.00 14.66 C ATOM 2228 H ILE C 31 33.586 2.058 -9.639 1.00 0.00 H ATOM 2229 N SER C 32 32.176 0.274 -11.367 1.00 14.22 N ATOM 2230 CA SER C 32 31.459 -0.091 -12.588 1.00 15.20 C ATOM 2231 C SER C 32 30.687 1.111 -13.104 1.00 15.04 C ATOM 2232 O SER C 32 30.857 2.254 -12.661 1.00 15.75 O ATOM 2233 CB SER C 32 30.620 -1.309 -12.387 1.00 16.19 C ATOM 2234 OG SER C 32 30.215 -1.860 -13.681 1.00 18.36 O ATOM 2235 HG SER C 32 31.021 -2.102 -14.202 1.00 0.00 H ATOM 2236 H SER C 32 31.837 1.053 -10.767 1.00 0.00 H ATOM 2237 N ARG C 33 29.904 0.865 -14.167 1.00 17.55 N ATOM 2238 CA ARG C 33 29.190 1.965 -14.807 1.00 19.27 C ATOM 2239 C ARG C 33 27.857 1.472 -15.309 1.00 19.65 C ATOM 2240 O ARG C 33 27.611 0.297 -15.500 1.00 17.63 O ATOM 2241 CB ARG C 33 29.982 2.579 -15.946 1.00 26.00 C ATOM 2242 CG ARG C 33 30.333 1.655 -17.023 1.00 30.97 C ATOM 2243 CD ARG C 33 31.306 2.251 -18.075 1.00 37.98 C ATOM 2244 NE ARG C 33 32.620 2.585 -17.527 1.00 42.33 N ATOM 2245 CZ ARG C 33 33.749 2.675 -18.244 1.00 47.65 C ATOM 2246 NH1 ARG C 33 34.894 2.969 -17.612 1.00 50.52 N ATOM 2247 NH2 ARG C 33 33.758 2.458 -19.579 1.00 50.11 N ATOM 2248 HE ARG C 33 32.683 2.766 -16.505 1.00 0.00 H ATOM 2249 HH12 ARG C 33 35.781 3.043 -18.150 1.00 0.00 H ATOM 2250 HH11 ARG C 33 34.896 3.123 -16.583 1.00 0.00 H ATOM 2251 HH22 ARG C 33 34.648 2.534 -20.112 1.00 0.00 H ATOM 2252 HH21 ARG C 33 32.875 2.215 -20.072 1.00 0.00 H ATOM 2253 H ARG C 33 29.807 -0.104 -14.532 1.00 0.00 H ATOM 2254 N ARG C 34 26.989 2.455 -15.527 1.00 20.12 N ATOM 2255 CA ARG C 34 25.604 2.110 -15.913 1.00 23.24 C ATOM 2256 C ARG C 34 25.527 1.424 -17.251 1.00 21.89 C ATOM 2257 O ARG C 34 24.632 0.560 -17.403 1.00 22.13 O ATOM 2258 CB ARG C 34 24.792 3.413 -15.872 1.00 26.65 C ATOM 2259 CG ARG C 34 23.323 3.190 -16.203 1.00 32.49 C ATOM 2260 CD ARG C 34 22.426 4.359 -15.809 1.00 37.42 C ATOM 2261 NE ARG C 34 22.352 4.455 -14.347 1.00 41.08 N ATOM 2262 CZ ARG C 34 21.428 3.914 -13.548 1.00 42.84 C ATOM 2263 NH1 ARG C 34 21.521 4.111 -12.230 1.00 42.93 N ATOM 2264 NH2 ARG C 34 20.386 3.239 -14.009 1.00 45.21 N ATOM 2265 HE ARG C 34 23.102 5.005 -13.881 1.00 0.00 H ATOM 2266 HH12 ARG C 34 20.812 3.698 -11.591 1.00 0.00 H ATOM 2267 HH11 ARG C 34 22.303 4.677 -11.843 1.00 0.00 H ATOM 2268 HH22 ARG C 34 19.693 2.836 -13.346 1.00 0.00 H ATOM 2269 HH21 ARG C 34 20.261 3.112 -15.034 1.00 0.00 H ATOM 2270 H ARG C 34 27.279 3.449 -15.428 1.00 0.00 H ATOM 2271 N ASP C 35 26.453 1.607 -18.139 1.00 21.33 N ATOM 2272 CA ASP C 35 26.481 0.882 -19.411 1.00 25.07 C ATOM 2273 C ASP C 35 26.548 -0.616 -19.233 1.00 23.47 C ATOM 2274 O ASP C 35 26.157 -1.391 -20.124 1.00 24.30 O ATOM 2275 CB ASP C 35 27.596 1.362 -20.346 1.00 32.13 C ATOM 2276 CG ASP C 35 27.318 2.761 -20.921 1.00 41.73 C ATOM 2277 OD1 ASP C 35 26.109 3.131 -21.023 1.00 49.49 O ATOM 2278 OD2 ASP C 35 28.290 3.508 -21.243 1.00 51.42 O ATOM 2279 H ASP C 35 27.206 2.296 -17.940 1.00 0.00 H ATOM 2280 N TRP C 36 27.056 -1.062 -18.101 1.00 20.11 N ATOM 2281 CA TRP C 36 27.223 -2.491 -17.842 1.00 19.77 C ATOM 2282 C TRP C 36 26.187 -3.045 -16.890 1.00 20.44 C ATOM 2283 O TRP C 36 26.226 -4.223 -16.540 1.00 19.62 O ATOM 2284 CB TRP C 36 28.663 -2.755 -17.293 1.00 22.51 C ATOM 2285 CG TRP C 36 29.771 -2.263 -18.171 1.00 24.68 C ATOM 2286 CD1 TRP C 36 29.757 -2.269 -19.508 1.00 30.04 C ATOM 2287 CD2 TRP C 36 31.030 -1.718 -17.772 1.00 29.86 C ATOM 2288 NE1 TRP C 36 30.898 -1.646 -19.999 1.00 32.45 N ATOM 2289 CE2 TRP C 36 31.713 -1.365 -18.951 1.00 32.46 C ATOM 2290 CE3 TRP C 36 31.702 -1.631 -16.556 1.00 34.35 C ATOM 2291 CZ2 TRP C 36 33.006 -0.829 -18.937 1.00 37.27 C ATOM 2292 CZ3 TRP C 36 33.015 -1.097 -16.529 1.00 35.71 C ATOM 2293 CH2 TRP C 36 33.628 -0.681 -17.716 1.00 37.05 C ATOM 2294 HE1 TRP C 36 31.094 -1.432 -20.998 1.00 0.00 H ATOM 2295 H TRP C 36 27.346 -0.379 -17.373 1.00 0.00 H ATOM 2296 N LEU C 37 25.217 -2.247 -16.506 1.00 19.26 N ATOM 2297 CA LEU C 37 24.193 -2.685 -15.579 1.00 23.00 C ATOM 2298 C LEU C 37 23.271 -3.564 -16.351 1.00 23.74 C ATOM 2299 O LEU C 37 22.843 -3.249 -17.516 1.00 24.93 O ATOM 2300 CB LEU C 37 23.514 -1.446 -15.011 1.00 26.45 C ATOM 2301 CG LEU C 37 22.595 -1.397 -13.823 1.00 27.74 C ATOM 2302 CD1 LEU C 37 23.211 -2.074 -12.656 1.00 27.50 C ATOM 2303 CD2 LEU C 37 22.356 0.054 -13.447 1.00 28.96 C ATOM 2304 H LEU C 37 25.183 -1.276 -16.877 1.00 0.00 H ATOM 2305 N LEU C 38 22.844 -4.642 -15.702 1.00 21.13 N ATOM 2306 CA LEU C 38 21.946 -5.636 -16.314 1.00 23.37 C ATOM 2307 C LEU C 38 20.549 -5.512 -15.685 1.00 24.15 C ATOM 2308 O LEU C 38 20.389 -5.831 -14.501 1.00 26.52 O ATOM 2309 CB LEU C 38 22.478 -7.015 -16.070 1.00 23.41 C ATOM 2310 CG LEU C 38 23.825 -7.329 -16.712 1.00 23.34 C ATOM 2311 CD1 LEU C 38 24.420 -8.585 -16.074 1.00 25.60 C ATOM 2312 CD2 LEU C 38 23.670 -7.563 -18.187 1.00 27.57 C ATOM 2313 H LEU C 38 23.157 -4.790 -14.721 1.00 0.00 H ATOM 2314 N PRO C 39 19.596 -5.005 -16.443 1.00 25.03 N ATOM 2315 CA PRO C 39 18.224 -4.991 -15.929 1.00 25.92 C ATOM 2316 C PRO C 39 17.501 -6.353 -15.951 1.00 25.38 C ATOM 2317 O PRO C 39 17.872 -7.217 -16.715 1.00 24.20 O ATOM 2318 CB PRO C 39 17.538 -4.094 -16.920 1.00 28.52 C ATOM 2319 CG PRO C 39 18.175 -4.390 -18.208 1.00 27.90 C ATOM 2320 CD PRO C 39 19.630 -4.638 -17.854 1.00 26.27 C ATOM 2321 N MET C 40 16.519 -6.488 -15.064 1.00 24.64 N ATOM 2322 CA MET C 40 15.580 -7.599 -15.144 1.00 23.39 C ATOM 2323 C MET C 40 14.244 -6.889 -15.256 1.00 23.05 C ATOM 2324 O MET C 40 13.756 -6.260 -14.325 1.00 22.49 O ATOM 2325 CB MET C 40 15.593 -8.466 -13.923 1.00 26.02 C ATOM 2326 CG MET C 40 14.785 -9.730 -14.131 1.00 27.17 C ATOM 2327 SD MET C 40 14.556 -10.758 -12.659 1.00 32.06 S ATOM 2328 CE MET C 40 16.145 -11.533 -12.746 1.00 29.98 C ATOM 2329 H MET C 40 16.420 -5.789 -14.301 1.00 0.00 H ATOM 2330 N GLY C 41 13.642 -7.031 -16.424 1.00 22.28 N ATOM 2331 CA GLY C 41 12.334 -6.295 -16.703 1.00 23.41 C ATOM 2332 C GLY C 41 12.569 -4.774 -16.561 1.00 25.77 C ATOM 2333 O GLY C 41 13.529 -4.191 -17.174 1.00 24.91 O ATOM 2334 H GLY C 41 14.059 -7.644 -17.153 1.00 0.00 H ATOM 2335 N GLY C 42 11.800 -4.149 -15.662 1.00 25.16 N ATOM 2336 CA GLY C 42 11.944 -2.704 -15.350 1.00 27.35 C ATOM 2337 C GLY C 42 12.813 -2.353 -14.187 1.00 28.19 C ATOM 2338 O GLY C 42 13.084 -1.194 -13.901 1.00 31.22 O ATOM 2339 H GLY C 42 11.072 -4.697 -15.161 1.00 0.00 H ATOM 2340 N ASP C 43 13.451 -3.367 -13.583 1.00 26.31 N ATOM 2341 CA ASP C 43 14.312 -3.206 -12.405 1.00 26.71 C ATOM 2342 C ASP C 43 15.788 -3.287 -12.729 1.00 27.65 C ATOM 2343 O ASP C 43 16.289 -4.171 -13.375 1.00 30.00 O ATOM 2344 CB ASP C 43 14.000 -4.336 -11.437 1.00 26.91 C ATOM 2345 CG ASP C 43 12.575 -4.326 -10.953 1.00 28.54 C ATOM 2346 OD1 ASP C 43 11.973 -3.243 -10.827 1.00 31.76 O ATOM 2347 OD2 ASP C 43 12.092 -5.427 -10.567 1.00 30.28 O ATOM 2348 H ASP C 43 13.328 -4.324 -13.972 1.00 0.00 H ATOM 2349 N HIS C 44 16.492 -2.272 -12.252 1.00 25.79 N ATOM 2350 CA HIS C 44 17.932 -2.253 -12.292 1.00 28.24 C ATOM 2351 C HIS C 44 18.502 -2.716 -10.993 1.00 26.69 C ATOM 2352 O HIS C 44 19.694 -3.073 -10.999 1.00 26.93 O ATOM 2353 CB HIS C 44 18.413 -0.787 -12.659 1.00 32.57 C ATOM 2354 CG HIS C 44 18.157 -0.463 -14.103 1.00 38.90 C ATOM 2355 ND1 HIS C 44 17.007 0.170 -14.556 1.00 45.67 N ATOM 2356 CD2 HIS C 44 18.855 -0.821 -15.204 1.00 41.10 C ATOM 2357 CE1 HIS C 44 17.054 0.253 -15.875 1.00 47.39 C ATOM 2358 NE2 HIS C 44 18.170 -0.328 -16.296 1.00 46.62 N ATOM 2359 H HIS C 44 15.989 -1.463 -11.835 1.00 0.00 H ATOM 2360 N GLU C 45 17.776 -2.663 -9.900 1.00 25.54 N ATOM 2361 CA GLU C 45 18.251 -3.188 -8.607 1.00 27.94 C ATOM 2362 C GLU C 45 17.301 -4.252 -8.185 1.00 27.14 C ATOM 2363 O GLU C 45 16.108 -4.318 -8.591 1.00 27.21 O ATOM 2364 CB GLU C 45 18.418 -2.108 -7.515 1.00 31.59 C ATOM 2365 CG GLU C 45 17.313 -1.137 -7.383 1.00 35.63 C ATOM 2366 CD GLU C 45 17.721 0.066 -6.524 1.00 39.45 C ATOM 2367 OE1 GLU C 45 17.397 -0.044 -5.348 1.00 44.08 O ATOM 2368 OE2 GLU C 45 18.361 1.084 -6.982 1.00 40.31 O ATOM 2369 H GLU C 45 16.830 -2.234 -9.948 1.00 0.00 H ATOM 2370 N HIS C 46 17.767 -5.167 -7.360 1.00 26.00 N ATOM 2371 CA HIS C 46 16.989 -6.325 -6.859 1.00 27.63 C ATOM 2372 C HIS C 46 17.008 -6.347 -5.362 1.00 29.91 C ATOM 2373 O HIS C 46 18.086 -6.364 -4.800 1.00 28.34 O ATOM 2374 CB HIS C 46 17.601 -7.588 -7.476 1.00 28.10 C ATOM 2375 CG HIS C 46 17.914 -7.395 -8.922 1.00 30.17 C ATOM 2376 ND1 HIS C 46 16.938 -7.394 -9.894 1.00 33.24 N ATOM 2377 CD2 HIS C 46 19.071 -7.090 -9.551 1.00 32.91 C ATOM 2378 CE1 HIS C 46 17.477 -7.086 -11.058 1.00 33.77 C ATOM 2379 NE2 HIS C 46 18.763 -6.870 -10.876 1.00 33.95 N ATOM 2380 H HIS C 46 18.751 -5.070 -7.037 1.00 0.00 H ATOM 2381 N VAL C 47 15.864 -6.490 -4.717 1.00 30.54 N ATOM 2382 CA VAL C 47 15.849 -6.593 -3.258 1.00 33.50 C ATOM 2383 C VAL C 47 16.005 -8.110 -2.946 1.00 35.02 C ATOM 2384 O VAL C 47 15.264 -8.947 -3.443 1.00 37.99 O ATOM 2385 CB VAL C 47 14.509 -6.098 -2.694 1.00 38.18 C ATOM 2386 CG1 VAL C 47 14.539 -6.200 -1.169 1.00 39.42 C ATOM 2387 CG2 VAL C 47 14.185 -4.658 -3.090 1.00 37.91 C ATOM 2388 H VAL C 47 14.971 -6.529 -5.248 1.00 0.00 H ATOM 2389 N VAL C 48 16.978 -8.411 -2.104 1.00 31.58 N ATOM 2390 CA VAL C 48 17.278 -9.776 -1.723 1.00 32.25 C ATOM 2391 C VAL C 48 17.442 -9.821 -0.212 1.00 31.49 C ATOM 2392 O VAL C 48 17.727 -8.808 0.431 1.00 33.88 O ATOM 2393 CB VAL C 48 18.573 -10.291 -2.401 1.00 32.97 C ATOM 2394 CG1 VAL C 48 18.405 -10.345 -3.901 1.00 32.81 C ATOM 2395 CG2 VAL C 48 19.759 -9.452 -2.056 1.00 33.05 C ATOM 2396 H VAL C 48 17.549 -7.641 -1.701 1.00 0.00 H ATOM 2397 N PHE C 49 17.283 -11.024 0.336 1.00 35.32 N ATOM 2398 CA PHE C 49 17.389 -11.196 1.798 1.00 35.64 C ATOM 2399 C PHE C 49 18.478 -12.293 1.999 1.00 34.21 C ATOM 2400 O PHE C 49 18.435 -13.340 1.354 1.00 32.73 O ATOM 2401 CB PHE C 49 16.067 -11.713 2.331 1.00 38.91 C ATOM 2402 CG PHE C 49 14.887 -10.806 2.214 1.00 42.20 C ATOM 2403 CD1 PHE C 49 14.151 -10.706 1.028 1.00 43.72 C ATOM 2404 CD2 PHE C 49 14.390 -10.204 3.358 1.00 46.64 C ATOM 2405 CE1 PHE C 49 13.013 -9.917 0.970 1.00 46.06 C ATOM 2406 CE2 PHE C 49 13.212 -9.440 3.326 1.00 48.17 C ATOM 2407 CZ PHE C 49 12.527 -9.286 2.118 1.00 48.32 C ATOM 2408 H PHE C 49 17.083 -11.846 -0.269 1.00 0.00 H ATOM 2409 N ASN C 50 19.466 -12.022 2.843 1.00 33.38 N ATOM 2410 CA ASN C 50 20.448 -13.016 3.189 1.00 32.62 C ATOM 2411 C ASN C 50 19.852 -14.088 4.114 1.00 35.14 C ATOM 2412 O ASN C 50 18.676 -13.989 4.473 1.00 35.27 O ATOM 2413 CB ASN C 50 21.688 -12.314 3.664 1.00 33.28 C ATOM 2414 CG ASN C 50 21.628 -11.818 5.110 1.00 35.86 C ATOM 2415 OD1 ASN C 50 20.624 -11.987 5.823 1.00 36.52 O ATOM 2416 ND2 ASN C 50 22.719 -11.226 5.540 1.00 36.17 N ATOM 2417 HD22 ASN C 50 23.533 -11.109 4.903 1.00 0.00 H ATOM 2418 HD21 ASN C 50 22.769 -10.874 6.517 1.00 0.00 H ATOM 2419 H ASN C 50 19.532 -11.073 3.263 1.00 0.00 H ATOM 2420 N PRO C 51 20.648 -15.110 4.489 1.00 35.74 N ATOM 2421 CA PRO C 51 20.106 -16.173 5.335 1.00 35.40 C ATOM 2422 C PRO C 51 19.574 -15.686 6.701 1.00 36.36 C ATOM 2423 O PRO C 51 18.732 -16.382 7.304 1.00 39.11 O ATOM 2424 CB PRO C 51 21.317 -17.094 5.538 1.00 37.37 C ATOM 2425 CG PRO C 51 22.305 -16.743 4.514 1.00 36.54 C ATOM 2426 CD PRO C 51 22.052 -15.366 4.066 1.00 35.00 C ATOM 2427 N ALA C 52 20.055 -14.525 7.153 1.00 33.36 N ATOM 2428 CA ALA C 52 19.584 -13.965 8.442 1.00 35.89 C ATOM 2429 C ALA C 52 18.402 -13.080 8.257 1.00 39.35 C ATOM 2430 O ALA C 52 17.865 -12.589 9.259 1.00 43.94 O ATOM 2431 CB ALA C 52 20.678 -13.226 9.133 1.00 37.66 C ATOM 2432 H ALA C 52 20.766 -14.010 6.596 1.00 0.00 H ATOM 2433 N GLY C 53 17.883 -12.979 7.041 1.00 40.36 N ATOM 2434 CA GLY C 53 16.759 -12.079 6.747 1.00 43.27 C ATOM 2435 C GLY C 53 17.111 -10.597 6.693 1.00 45.01 C ATOM 2436 O GLY C 53 16.208 -9.764 6.658 1.00 52.69 O ATOM 2437 H GLY C 53 18.283 -13.554 6.272 1.00 0.00 H ATOM 2438 N MET C 54 18.373 -10.235 6.598 1.00 44.83 N ATOM 2439 CA MET C 54 18.722 -8.832 6.314 1.00 45.58 C ATOM 2440 C MET C 54 18.458 -8.555 4.820 1.00 45.94 C ATOM 2441 O MET C 54 18.810 -9.368 3.974 1.00 42.84 O ATOM 2442 CB MET C 54 20.175 -8.590 6.618 1.00 42.47 C ATOM 2443 H MET C 54 19.126 -10.941 6.724 1.00 0.00 H ATOM 2444 N ILE C 55 17.891 -7.390 4.516 1.00 47.81 N ATOM 2445 CA ILE C 55 17.671 -6.949 3.124 1.00 47.49 C ATOM 2446 C ILE C 55 18.889 -6.237 2.557 1.00 44.36 C ATOM 2447 O ILE C 55 19.510 -5.443 3.221 1.00 45.85 O ATOM 2448 CB ILE C 55 16.438 -6.058 2.979 1.00 52.53 C ATOM 2449 CG1 ILE C 55 16.481 -4.830 3.911 1.00 54.93 C ATOM 2450 CG2 ILE C 55 15.157 -6.854 3.176 1.00 55.78 C ATOM 2451 CD1 ILE C 55 15.488 -3.754 3.529 1.00 57.12 C ATOM 2452 H ILE C 55 17.591 -6.764 5.291 1.00 0.00 H ATOM 2453 N PHE C 56 19.198 -6.537 1.294 1.00 40.44 N ATOM 2454 CA PHE C 56 20.145 -5.776 0.518 1.00 36.94 C ATOM 2455 C PHE C 56 19.454 -5.441 -0.826 1.00 33.02 C ATOM 2456 O PHE C 56 18.617 -6.169 -1.328 1.00 32.73 O ATOM 2457 CB PHE C 56 21.370 -6.607 0.167 1.00 37.89 C ATOM 2458 CG PHE C 56 22.179 -7.096 1.331 1.00 43.73 C ATOM 2459 CD1 PHE C 56 23.137 -6.293 1.909 1.00 46.46 C ATOM 2460 CD2 PHE C 56 22.017 -8.373 1.800 1.00 45.47 C ATOM 2461 CE1 PHE C 56 23.943 -6.762 2.938 1.00 48.92 C ATOM 2462 CE2 PHE C 56 22.819 -8.862 2.824 1.00 49.06 C ATOM 2463 CZ PHE C 56 23.778 -8.054 3.407 1.00 48.80 C ATOM 2464 H PHE C 56 18.735 -7.356 0.850 1.00 0.00 H ATOM 2465 N ARG C 57 19.878 -4.352 -1.401 1.00 31.02 N ATOM 2466 CA ARG C 57 19.584 -4.020 -2.793 1.00 28.19 C ATOM 2467 C ARG C 57 20.833 -4.306 -3.621 1.00 26.24 C ATOM 2468 O ARG C 57 21.902 -3.721 -3.337 1.00 28.94 O ATOM 2469 CB ARG C 57 19.223 -2.526 -2.860 1.00 30.41 C ATOM 2470 CG ARG C 57 18.252 -2.092 -1.746 1.00 32.89 C ATOM 2471 CD ARG C 57 17.490 -0.792 -2.051 1.00 34.58 C ATOM 2472 NE ARG C 57 16.105 -0.902 -1.552 1.00 37.18 N ATOM 2473 CZ ARG C 57 15.025 -1.126 -2.318 1.00 38.23 C ATOM 2474 NH1 ARG C 57 15.133 -1.228 -3.651 1.00 39.65 N ATOM 2475 NH2 ARG C 57 13.832 -1.241 -1.742 1.00 41.04 N ATOM 2476 HE ARG C 57 15.954 -0.798 -0.528 1.00 0.00 H ATOM 2477 HH12 ARG C 57 14.286 -1.402 -4.230 1.00 0.00 H ATOM 2478 HH11 ARG C 57 16.063 -1.133 -4.106 1.00 0.00 H ATOM 2479 HH22 ARG C 57 12.988 -1.415 -2.324 1.00 0.00 H ATOM 2480 HH21 ARG C 57 13.743 -1.157 -0.709 1.00 0.00 H ATOM 2481 H ARG C 57 20.452 -3.688 -0.843 1.00 0.00 H ATOM 2482 N VAL C 58 20.720 -5.212 -4.579 1.00 23.35 N ATOM 2483 CA VAL C 58 21.860 -5.658 -5.397 1.00 21.89 C ATOM 2484 C VAL C 58 21.740 -5.129 -6.829 1.00 20.77 C ATOM 2485 O VAL C 58 20.638 -5.227 -7.428 1.00 22.28 O ATOM 2486 CB VAL C 58 21.985 -7.221 -5.425 1.00 21.97 C ATOM 2487 CG1 VAL C 58 23.050 -7.725 -6.361 1.00 23.38 C ATOM 2488 CG2 VAL C 58 22.379 -7.663 -4.018 1.00 24.24 C ATOM 2489 H VAL C 58 19.784 -5.627 -4.762 1.00 0.00 H ATOM 2490 N TRP C 59 22.807 -4.529 -7.338 1.00 19.08 N ATOM 2491 CA TRP C 59 22.943 -4.183 -8.765 1.00 20.60 C ATOM 2492 C TRP C 59 23.799 -5.203 -9.455 1.00 20.26 C ATOM 2493 O TRP C 59 24.877 -5.545 -8.917 1.00 22.18 O ATOM 2494 CB TRP C 59 23.659 -2.848 -8.881 1.00 21.97 C ATOM 2495 CG TRP C 59 22.823 -1.588 -8.639 1.00 25.18 C ATOM 2496 CD1 TRP C 59 21.654 -1.300 -9.223 1.00 28.97 C ATOM 2497 CD2 TRP C 59 23.224 -0.389 -7.941 1.00 27.87 C ATOM 2498 NE1 TRP C 59 21.220 -0.030 -8.834 1.00 31.13 N ATOM 2499 CE2 TRP C 59 22.212 0.554 -8.107 1.00 29.88 C ATOM 2500 CE3 TRP C 59 24.342 -0.051 -7.210 1.00 30.39 C ATOM 2501 CZ2 TRP C 59 22.245 1.818 -7.531 1.00 32.20 C ATOM 2502 CZ3 TRP C 59 24.394 1.216 -6.624 1.00 30.88 C ATOM 2503 CH2 TRP C 59 23.349 2.135 -6.796 1.00 31.78 C ATOM 2504 HE1 TRP C 59 20.299 0.396 -9.061 1.00 0.00 H ATOM 2505 H TRP C 59 23.590 -4.290 -6.697 1.00 0.00 H ATOM 2506 N CYS C 60 23.350 -5.727 -10.605 1.00 19.30 N ATOM 2507 CA CYS C 60 24.144 -6.647 -11.395 1.00 18.59 C ATOM 2508 C CYS C 60 24.816 -5.936 -12.543 1.00 17.77 C ATOM 2509 O CYS C 60 24.162 -5.274 -13.318 1.00 19.39 O ATOM 2510 CB CYS C 60 23.294 -7.806 -11.918 1.00 18.92 C ATOM 2511 SG CYS C 60 22.497 -8.715 -10.533 1.00 22.69 S ATOM 2512 H CYS C 60 22.401 -5.465 -10.941 1.00 0.00 H ATOM 2513 N PHE C 61 26.117 -6.189 -12.696 1.00 17.14 N ATOM 2514 CA PHE C 61 26.935 -5.589 -13.749 1.00 17.87 C ATOM 2515 C PHE C 61 27.684 -6.644 -14.512 1.00 18.55 C ATOM 2516 O PHE C 61 28.198 -7.606 -13.922 1.00 19.11 O ATOM 2517 CB PHE C 61 27.966 -4.659 -13.146 1.00 17.70 C ATOM 2518 CG PHE C 61 27.416 -3.481 -12.407 1.00 17.88 C ATOM 2519 CD1 PHE C 61 27.132 -2.332 -13.061 1.00 19.15 C ATOM 2520 CD2 PHE C 61 27.233 -3.538 -11.046 1.00 19.65 C ATOM 2521 CE1 PHE C 61 26.693 -1.207 -12.385 1.00 20.09 C ATOM 2522 CE2 PHE C 61 26.790 -2.419 -10.351 1.00 19.53 C ATOM 2523 CZ PHE C 61 26.504 -1.247 -10.999 1.00 20.76 C ATOM 2524 H PHE C 61 26.573 -6.847 -12.032 1.00 0.00 H ATOM 2525 N SER C 62 27.687 -6.546 -15.824 1.00 17.17 N ATOM 2526 CA SER C 62 28.428 -7.509 -16.645 1.00 17.44 C ATOM 2527 C SER C 62 29.934 -7.438 -16.493 1.00 18.36 C ATOM 2528 O SER C 62 30.597 -8.460 -16.622 1.00 19.61 O ATOM 2529 CB SER C 62 28.061 -7.319 -18.117 1.00 19.64 C ATOM 2530 OG SER C 62 28.367 -6.048 -18.519 1.00 23.22 O ATOM 2531 HG SER C 62 27.859 -5.399 -17.971 1.00 0.00 H ATOM 2532 H SER C 62 27.158 -5.777 -16.284 1.00 0.00 H ATOM 2533 N LEU C 63 30.440 -6.251 -16.218 1.00 16.13 N ATOM 2534 CA LEU C 63 31.880 -5.957 -16.070 1.00 17.95 C ATOM 2535 C LEU C 63 32.091 -5.108 -14.865 1.00 17.21 C ATOM 2536 O LEU C 63 31.227 -4.308 -14.541 1.00 15.73 O ATOM 2537 CB LEU C 63 32.355 -5.235 -17.351 1.00 18.14 C ATOM 2538 CG LEU C 63 32.383 -6.068 -18.636 1.00 19.96 C ATOM 2539 CD1 LEU C 63 32.591 -5.104 -19.821 1.00 21.98 C ATOM 2540 CD2 LEU C 63 33.410 -7.194 -18.571 1.00 20.32 C ATOM 2541 H LEU C 63 29.774 -5.462 -16.096 1.00 0.00 H ATOM 2542 N ALA C 64 33.269 -5.205 -14.294 1.00 15.37 N ATOM 2543 CA ALA C 64 33.637 -4.325 -13.135 1.00 16.10 C ATOM 2544 C ALA C 64 35.145 -4.260 -13.087 1.00 16.65 C ATOM 2545 O ALA C 64 35.853 -5.079 -13.724 1.00 17.54 O ATOM 2546 CB ALA C 64 33.097 -4.836 -11.842 1.00 16.78 C ATOM 2547 H ALA C 64 33.956 -5.900 -14.649 1.00 0.00 H ATOM 2548 N GLN C 65 35.599 -3.228 -12.395 1.00 16.46 N ATOM 2549 CA GLN C 65 37.037 -3.063 -12.171 1.00 16.86 C ATOM 2550 C GLN C 65 37.271 -2.771 -10.696 1.00 15.73 C ATOM 2551 O GLN C 65 36.347 -2.439 -9.949 1.00 15.41 O ATOM 2552 CB GLN C 65 37.611 -1.938 -13.000 1.00 20.32 C ATOM 2553 CG GLN C 65 37.040 -0.632 -12.698 1.00 22.90 C ATOM 2554 CD GLN C 65 37.513 0.464 -13.626 1.00 30.83 C ATOM 2555 OE1 GLN C 65 38.242 1.375 -13.232 1.00 33.70 O ATOM 2556 NE2 GLN C 65 37.118 0.335 -14.882 1.00 37.05 N ATOM 2557 HE22 GLN C 65 36.501 -0.457 -15.154 1.00 0.00 H ATOM 2558 HE21 GLN C 65 37.424 1.025 -15.597 1.00 0.00 H ATOM 2559 H GLN C 65 34.932 -2.530 -12.008 1.00 0.00 H ATOM 2560 N GLY C 66 38.570 -2.878 -10.345 1.00 14.94 N ATOM 2561 CA GLY C 66 38.938 -2.359 -9.054 1.00 14.73 C ATOM 2562 C GLY C 66 38.521 -3.159 -7.840 1.00 14.39 C ATOM 2563 O GLY C 66 38.672 -2.717 -6.707 1.00 15.57 O ATOM 2564 H GLY C 66 39.271 -3.314 -10.977 1.00 0.00 H ATOM 2565 N LEU C 67 38.124 -4.395 -8.075 1.00 14.19 N ATOM 2566 CA LEU C 67 37.757 -5.327 -7.016 1.00 14.45 C ATOM 2567 C LEU C 67 38.894 -6.306 -6.840 1.00 15.68 C ATOM 2568 O LEU C 67 39.836 -6.392 -7.618 1.00 16.34 O ATOM 2569 CB LEU C 67 36.495 -6.104 -7.394 1.00 15.16 C ATOM 2570 CG LEU C 67 35.264 -5.245 -7.569 1.00 14.93 C ATOM 2571 CD1 LEU C 67 34.163 -5.939 -8.359 1.00 16.07 C ATOM 2572 CD2 LEU C 67 34.710 -4.786 -6.236 1.00 16.20 C ATOM 2573 H LEU C 67 38.070 -4.719 -9.062 1.00 0.00 H ATOM 2574 N ARG C 68 38.792 -7.039 -5.735 1.00 17.01 N ATOM 2575 CA ARG C 68 39.602 -8.226 -5.517 1.00 18.02 C ATOM 2576 C ARG C 68 38.722 -9.387 -5.219 1.00 19.32 C ATOM 2577 O ARG C 68 37.930 -9.293 -4.254 1.00 19.00 O ATOM 2578 CB ARG C 68 40.593 -8.040 -4.370 1.00 23.80 C ATOM 2579 CG ARG C 68 41.611 -9.125 -4.270 1.00 28.38 C ATOM 2580 CD ARG C 68 42.932 -8.547 -3.668 1.00 33.59 C ATOM 2581 NE ARG C 68 42.615 -7.959 -2.365 1.00 36.81 N ATOM 2582 CZ ARG C 68 42.672 -8.618 -1.215 1.00 40.14 C ATOM 2583 NH1 ARG C 68 43.089 -9.902 -1.168 1.00 42.84 N ATOM 2584 NH2 ARG C 68 42.308 -7.986 -0.097 1.00 42.68 N ATOM 2585 HE ARG C 68 42.327 -6.960 -2.339 1.00 0.00 H ATOM 2586 HH12 ARG C 68 43.127 -10.403 -0.258 1.00 0.00 H ATOM 2587 HH11 ARG C 68 43.372 -10.389 -2.042 1.00 0.00 H ATOM 2588 HH22 ARG C 68 42.344 -8.482 0.816 1.00 0.00 H ATOM 2589 HH21 ARG C 68 41.988 -6.997 -0.139 1.00 0.00 H ATOM 2590 H ARG C 68 38.111 -6.754 -5.003 1.00 0.00 H ATOM 2591 N LEU C 69 38.751 -10.421 -6.048 1.00 17.76 N ATOM 2592 CA LEU C 69 37.878 -11.598 -5.870 1.00 21.08 C ATOM 2593 C LEU C 69 38.592 -12.623 -5.015 1.00 23.44 C ATOM 2594 O LEU C 69 39.781 -12.948 -5.282 1.00 27.45 O ATOM 2595 CB LEU C 69 37.518 -12.160 -7.240 1.00 21.25 C ATOM 2596 CG LEU C 69 36.937 -11.127 -8.180 1.00 21.77 C ATOM 2597 CD1 LEU C 69 36.508 -11.760 -9.511 1.00 24.52 C ATOM 2598 CD2 LEU C 69 35.714 -10.446 -7.570 1.00 21.85 C ATOM 2599 H LEU C 69 39.411 -10.402 -6.851 1.00 0.00 H ATOM 2600 N ILE C 70 37.996 -13.068 -3.939 1.00 23.08 N ATOM 2601 CA ILE C 70 38.767 -13.851 -2.964 1.00 26.60 C ATOM 2602 C ILE C 70 38.085 -15.185 -2.765 1.00 28.39 C ATOM 2603 O ILE C 70 36.844 -15.316 -2.679 1.00 30.52 O ATOM 2604 CB ILE C 70 39.048 -13.098 -1.690 1.00 30.05 C ATOM 2605 CG1 ILE C 70 37.790 -12.663 -1.030 1.00 31.47 C ATOM 2606 CG2 ILE C 70 39.937 -11.854 -1.972 1.00 31.74 C ATOM 2607 CD1 ILE C 70 37.979 -12.330 0.442 1.00 34.85 C ATOM 2608 H ILE C 70 36.988 -12.870 -3.776 1.00 0.00 H ATOM 2609 N GLY C 71 38.936 -16.187 -2.682 1.00 32.56 N ATOM 2610 CA GLY C 71 38.502 -17.515 -2.312 1.00 35.98 C ATOM 2611 C GLY C 71 37.893 -18.279 -3.445 1.00 36.33 C ATOM 2612 O GLY C 71 38.018 -17.934 -4.651 1.00 34.87 O ATOM 2613 H GLY C 71 39.942 -16.019 -2.887 1.00 0.00 H ATOM 2614 N ALA C 72 37.287 -19.387 -3.043 1.00 38.76 N ATOM 2615 CA ALA C 72 36.722 -20.324 -3.972 1.00 38.01 C ATOM 2616 C ALA C 72 35.203 -20.093 -4.100 1.00 34.15 C ATOM 2617 O ALA C 72 34.591 -19.667 -3.140 1.00 35.00 O ATOM 2618 CB ALA C 72 36.964 -21.744 -3.476 1.00 40.75 C ATOM 2619 H ALA C 72 37.219 -19.583 -2.024 1.00 0.00 H ATOM 2620 N PRO C 73 34.634 -20.450 -5.226 1.00 32.57 N ATOM 2621 CA PRO C 73 33.195 -20.230 -5.405 1.00 32.24 C ATOM 2622 C PRO C 73 32.340 -21.076 -4.456 1.00 30.99 C ATOM 2623 O PRO C 73 32.737 -22.192 -4.088 1.00 35.15 O ATOM 2624 CB PRO C 73 32.939 -20.657 -6.839 1.00 31.72 C ATOM 2625 CG PRO C 73 34.290 -20.672 -7.498 1.00 33.08 C ATOM 2626 CD PRO C 73 35.238 -21.051 -6.412 1.00 34.25 C ATOM 2627 N SER C 74 31.153 -20.576 -4.122 1.00 29.11 N ATOM 2628 CA SER C 74 30.189 -21.254 -3.282 1.00 28.86 C ATOM 2629 C SER C 74 28.801 -21.089 -3.888 1.00 28.01 C ATOM 2630 O SER C 74 28.428 -20.042 -4.333 1.00 25.22 O ATOM 2631 CB SER C 74 30.196 -20.605 -1.913 1.00 29.95 C ATOM 2632 OG SER C 74 29.231 -21.251 -1.101 1.00 30.91 O ATOM 2633 HG SER C 74 29.226 -20.835 -0.202 1.00 0.00 H ATOM 2634 H SER C 74 30.901 -19.636 -4.489 1.00 0.00 H ATOM 2635 N GLY C 75 28.005 -22.146 -3.784 1.00 28.09 N ATOM 2636 CA GLY C 75 26.612 -22.049 -4.096 1.00 28.56 C ATOM 2637 C GLY C 75 25.694 -21.668 -2.952 1.00 28.73 C ATOM 2638 O GLY C 75 24.498 -21.501 -3.166 1.00 31.92 O ATOM 2639 H GLY C 75 28.399 -23.056 -3.472 1.00 0.00 H ATOM 2640 N GLU C 76 26.223 -21.550 -1.743 1.00 29.67 N ATOM 2641 CA GLU C 76 25.381 -21.423 -0.535 1.00 30.56 C ATOM 2642 C GLU C 76 24.477 -20.189 -0.564 1.00 29.79 C ATOM 2643 O GLU C 76 24.945 -19.055 -0.677 1.00 26.77 O ATOM 2644 CB GLU C 76 26.261 -21.326 0.701 1.00 32.07 C ATOM 2645 H GLU C 76 27.258 -21.547 -1.641 1.00 0.00 H ATOM 2646 N PHE C 77 23.182 -20.404 -0.445 1.00 28.70 N ATOM 2647 CA PHE C 77 22.199 -19.328 -0.416 1.00 31.12 C ATOM 2648 C PHE C 77 22.275 -18.380 -1.617 1.00 26.47 C ATOM 2649 O PHE C 77 21.901 -17.215 -1.542 1.00 25.45 O ATOM 2650 CB PHE C 77 22.289 -18.579 0.914 1.00 35.42 C ATOM 2651 CG PHE C 77 21.231 -18.953 1.891 1.00 41.62 C ATOM 2652 CD1 PHE C 77 19.973 -18.457 1.727 1.00 46.88 C ATOM 2653 CD2 PHE C 77 21.496 -19.761 2.968 1.00 45.44 C ATOM 2654 CE1 PHE C 77 18.950 -18.768 2.629 1.00 46.96 C ATOM 2655 CE2 PHE C 77 20.514 -20.054 3.910 1.00 49.29 C ATOM 2656 CZ PHE C 77 19.223 -19.571 3.725 1.00 49.24 C ATOM 2657 H PHE C 77 22.846 -21.385 -0.368 1.00 0.00 H ATOM 2658 N SER C 78 22.727 -18.863 -2.771 1.00 25.08 N ATOM 2659 CA SER C 78 22.881 -17.920 -3.912 1.00 23.99 C ATOM 2660 C SER C 78 21.572 -17.290 -4.292 1.00 23.86 C ATOM 2661 O SER C 78 20.559 -17.984 -4.432 1.00 25.26 O ATOM 2662 CB SER C 78 23.421 -18.673 -5.085 1.00 24.12 C ATOM 2663 OG SER C 78 23.589 -17.755 -6.137 1.00 23.71 O ATOM 2664 HG SER C 78 23.947 -18.226 -6.931 1.00 0.00 H ATOM 2665 H SER C 78 22.966 -19.870 -2.873 1.00 0.00 H ATOM 2666 N TRP C 79 21.574 -15.974 -4.494 1.00 23.40 N ATOM 2667 CA TRP C 79 20.375 -15.275 -4.919 1.00 22.88 C ATOM 2668 C TRP C 79 20.067 -15.490 -6.364 1.00 24.01 C ATOM 2669 O TRP C 79 18.996 -15.032 -6.841 1.00 27.32 O ATOM 2670 CB TRP C 79 20.537 -13.774 -4.666 1.00 22.91 C ATOM 2671 CG TRP C 79 20.582 -13.460 -3.188 1.00 23.81 C ATOM 2672 CD1 TRP C 79 19.720 -13.916 -2.234 1.00 25.04 C ATOM 2673 CD2 TRP C 79 21.473 -12.579 -2.545 1.00 23.22 C ATOM 2674 NE1 TRP C 79 20.071 -13.407 -1.021 1.00 26.35 N ATOM 2675 CE2 TRP C 79 21.113 -12.547 -1.177 1.00 25.02 C ATOM 2676 CE3 TRP C 79 22.554 -11.818 -2.989 1.00 23.08 C ATOM 2677 CZ2 TRP C 79 21.819 -11.786 -0.256 1.00 26.22 C ATOM 2678 CZ3 TRP C 79 23.214 -11.023 -2.102 1.00 24.67 C ATOM 2679 CH2 TRP C 79 22.873 -11.022 -0.730 1.00 24.85 C ATOM 2680 HE1 TRP C 79 19.614 -13.640 -0.116 1.00 0.00 H ATOM 2681 H TRP C 79 22.452 -15.436 -4.344 1.00 0.00 H ATOM 2682 N PHE C 80 20.982 -16.113 -7.112 1.00 23.54 N ATOM 2683 CA PHE C 80 20.785 -16.323 -8.551 1.00 22.41 C ATOM 2684 C PHE C 80 20.868 -17.808 -8.804 1.00 24.41 C ATOM 2685 O PHE C 80 21.940 -18.397 -8.674 1.00 23.16 O ATOM 2686 CB PHE C 80 21.812 -15.518 -9.372 1.00 21.94 C ATOM 2687 CG PHE C 80 21.713 -14.024 -9.111 1.00 21.92 C ATOM 2688 CD1 PHE C 80 20.764 -13.265 -9.758 1.00 23.26 C ATOM 2689 CD2 PHE C 80 22.498 -13.430 -8.138 1.00 22.37 C ATOM 2690 CE1 PHE C 80 20.676 -11.900 -9.501 1.00 24.33 C ATOM 2691 CE2 PHE C 80 22.380 -12.123 -7.855 1.00 22.62 C ATOM 2692 CZ PHE C 80 21.498 -11.355 -8.551 1.00 24.47 C ATOM 2693 H PHE C 80 21.855 -16.457 -6.664 1.00 0.00 H ATOM 2694 N LYS C 81 19.768 -18.422 -9.133 1.00 24.73 N ATOM 2695 CA LYS C 81 19.684 -19.900 -9.087 1.00 27.35 C ATOM 2696 C LYS C 81 20.621 -20.492 -10.119 1.00 26.71 C ATOM 2697 O LYS C 81 20.654 -20.056 -11.224 1.00 26.33 O ATOM 2698 CB LYS C 81 18.251 -20.357 -9.270 1.00 28.47 C ATOM 2699 CG LYS C 81 18.052 -21.835 -9.154 1.00 30.34 C ATOM 2700 CD LYS C 81 16.542 -22.189 -9.219 1.00 32.89 C ATOM 2701 CE LYS C 81 16.307 -23.693 -9.158 1.00 36.54 C ATOM 2702 NZ LYS C 81 15.069 -24.182 -9.847 1.00 40.30 N ATOM 2703 HZ1 LYS C 81 14.234 -23.737 -9.415 1.00 0.00 H ATOM 2704 HZ2 LYS C 81 15.114 -23.932 -10.856 1.00 0.00 H ATOM 2705 HZ3 LYS C 81 15.003 -25.215 -9.747 1.00 0.00 H ATOM 2706 H LYS C 81 18.939 -17.869 -9.431 1.00 0.00 H ATOM 2707 N GLY C 82 21.480 -21.434 -9.672 1.00 28.50 N ATOM 2708 CA GLY C 82 22.446 -22.061 -10.560 1.00 28.84 C ATOM 2709 C GLY C 82 23.763 -21.338 -10.724 1.00 30.05 C ATOM 2710 O GLY C 82 24.629 -21.772 -11.449 1.00 32.91 O ATOM 2711 H GLY C 82 21.450 -21.717 -8.672 1.00 0.00 H ATOM 2712 N TYR C 83 23.928 -20.214 -10.019 1.00 26.58 N ATOM 2713 CA TYR C 83 25.202 -19.482 -10.038 1.00 25.29 C ATOM 2714 C TYR C 83 25.909 -19.585 -8.704 1.00 24.86 C ATOM 2715 O TYR C 83 25.268 -19.545 -7.655 1.00 27.17 O ATOM 2716 CB TYR C 83 24.950 -18.007 -10.309 1.00 25.20 C ATOM 2717 CG TYR C 83 24.534 -17.715 -11.717 1.00 25.67 C ATOM 2718 CD1 TYR C 83 23.252 -17.988 -12.179 1.00 27.97 C ATOM 2719 CD2 TYR C 83 25.432 -17.111 -12.582 1.00 24.84 C ATOM 2720 CE1 TYR C 83 22.928 -17.716 -13.484 1.00 31.71 C ATOM 2721 CE2 TYR C 83 25.101 -16.864 -13.902 1.00 27.85 C ATOM 2722 CZ TYR C 83 23.837 -17.075 -14.294 1.00 27.52 C ATOM 2723 OH TYR C 83 23.459 -16.812 -15.618 1.00 34.67 O ATOM 2724 HH TYR C 83 23.616 -15.856 -15.821 1.00 0.00 H ATOM 2725 H TYR C 83 23.140 -19.851 -9.446 1.00 0.00 H ATOM 2726 N ASP C 84 27.220 -19.776 -8.776 1.00 24.43 N ATOM 2727 CA ASP C 84 28.065 -19.785 -7.593 1.00 24.07 C ATOM 2728 C ASP C 84 28.684 -18.410 -7.472 1.00 22.31 C ATOM 2729 O ASP C 84 28.903 -17.730 -8.473 1.00 21.76 O ATOM 2730 CB ASP C 84 29.170 -20.814 -7.649 1.00 28.33 C ATOM 2731 CG ASP C 84 28.653 -22.256 -7.514 1.00 33.00 C ATOM 2732 OD1 ASP C 84 27.492 -22.500 -7.168 1.00 33.46 O ATOM 2733 OD2 ASP C 84 29.460 -23.160 -7.786 1.00 39.24 O ATOM 2734 H ASP C 84 27.657 -19.924 -9.708 1.00 0.00 H ATOM 2735 N TRP C 85 29.011 -18.035 -6.248 1.00 20.96 N ATOM 2736 CA TRP C 85 29.566 -16.722 -5.966 1.00 20.86 C ATOM 2737 C TRP C 85 30.925 -16.806 -5.325 1.00 20.89 C ATOM 2738 O TRP C 85 31.257 -17.745 -4.633 1.00 21.79 O ATOM 2739 CB TRP C 85 28.617 -15.924 -5.085 1.00 20.75 C ATOM 2740 CG TRP C 85 28.175 -16.597 -3.805 1.00 21.18 C ATOM 2741 CD1 TRP C 85 26.994 -17.248 -3.623 1.00 22.31 C ATOM 2742 CD2 TRP C 85 28.847 -16.649 -2.560 1.00 21.05 C ATOM 2743 NE1 TRP C 85 26.882 -17.712 -2.363 1.00 23.85 N ATOM 2744 CE2 TRP C 85 28.020 -17.395 -1.675 1.00 22.30 C ATOM 2745 CE3 TRP C 85 30.086 -16.194 -2.092 1.00 20.98 C ATOM 2746 CZ2 TRP C 85 28.352 -17.577 -0.335 1.00 23.75 C ATOM 2747 CZ3 TRP C 85 30.433 -16.422 -0.804 1.00 22.86 C ATOM 2748 CH2 TRP C 85 29.581 -17.143 0.077 1.00 23.94 C ATOM 2749 HE1 TRP C 85 26.065 -18.226 -1.977 1.00 0.00 H ATOM 2750 H TRP C 85 28.867 -18.700 -5.462 1.00 0.00 H ATOM 2751 N THR C 86 31.674 -15.740 -5.472 1.00 19.96 N ATOM 2752 CA THR C 86 32.964 -15.480 -4.816 1.00 20.51 C ATOM 2753 C THR C 86 32.885 -14.059 -4.267 1.00 19.37 C ATOM 2754 O THR C 86 32.353 -13.151 -4.930 1.00 20.90 O ATOM 2755 CB THR C 86 34.074 -15.556 -5.908 1.00 26.05 C ATOM 2756 OG1 THR C 86 34.082 -16.923 -6.434 1.00 27.83 O ATOM 2757 CG2 THR C 86 35.506 -15.166 -5.466 1.00 28.08 C ATOM 2758 HG1 THR C 86 33.196 -17.130 -6.825 1.00 0.00 H ATOM 2759 H THR C 86 31.320 -15.005 -6.117 1.00 0.00 H ATOM 2760 N ILE C 87 33.413 -13.826 -3.098 1.00 18.41 N ATOM 2761 CA ILE C 87 33.414 -12.515 -2.473 1.00 19.68 C ATOM 2762 C ILE C 87 34.209 -11.523 -3.315 1.00 17.22 C ATOM 2763 O ILE C 87 35.316 -11.851 -3.763 1.00 17.65 O ATOM 2764 CB ILE C 87 33.990 -12.602 -1.047 1.00 21.73 C ATOM 2765 CG1 ILE C 87 33.025 -13.388 -0.184 1.00 25.50 C ATOM 2766 CG2 ILE C 87 34.362 -11.229 -0.459 1.00 22.48 C ATOM 2767 CD1 ILE C 87 31.815 -12.697 0.309 1.00 29.08 C ATOM 2768 H ILE C 87 33.855 -14.617 -2.588 1.00 0.00 H ATOM 2769 N ALA C 88 33.654 -10.324 -3.418 1.00 16.63 N ATOM 2770 CA ALA C 88 34.329 -9.205 -4.088 1.00 15.94 C ATOM 2771 C ALA C 88 34.592 -8.078 -3.111 1.00 16.38 C ATOM 2772 O ALA C 88 33.613 -7.503 -2.594 1.00 16.11 O ATOM 2773 CB ALA C 88 33.501 -8.744 -5.258 1.00 17.51 C ATOM 2774 H ALA C 88 32.709 -10.170 -3.011 1.00 0.00 H ATOM 2775 N LEU C 89 35.867 -7.814 -2.863 1.00 15.30 N ATOM 2776 CA LEU C 89 36.275 -6.694 -2.035 1.00 15.29 C ATOM 2777 C LEU C 89 36.696 -5.534 -2.865 1.00 13.66 C ATOM 2778 O LEU C 89 37.201 -5.695 -3.985 1.00 15.02 O ATOM 2779 CB LEU C 89 37.428 -7.049 -1.128 1.00 16.91 C ATOM 2780 CG LEU C 89 37.300 -8.321 -0.291 1.00 17.82 C ATOM 2781 CD1 LEU C 89 38.569 -8.506 0.502 1.00 20.24 C ATOM 2782 CD2 LEU C 89 36.022 -8.226 0.597 1.00 17.66 C ATOM 2783 H LEU C 89 36.598 -8.429 -3.275 1.00 0.00 H ATOM 2784 N CYS C 90 36.573 -4.340 -2.352 1.00 14.45 N ATOM 2785 CA CYS C 90 37.238 -3.175 -2.934 1.00 14.14 C ATOM 2786 C CYS C 90 38.742 -3.433 -2.937 1.00 14.56 C ATOM 2787 O CYS C 90 39.325 -3.674 -1.896 1.00 15.68 O ATOM 2788 CB CYS C 90 36.912 -1.949 -2.117 1.00 15.19 C ATOM 2789 SG CYS C 90 37.707 -0.459 -2.749 1.00 14.68 S ATOM 2790 H CYS C 90 35.984 -4.214 -1.504 1.00 0.00 H ATOM 2791 N GLY C 91 39.373 -3.283 -4.090 1.00 14.41 N ATOM 2792 CA GLY C 91 40.798 -3.453 -4.154 1.00 15.26 C ATOM 2793 C GLY C 91 41.617 -2.364 -3.507 1.00 15.41 C ATOM 2794 O GLY C 91 42.821 -2.537 -3.250 1.00 18.01 O ATOM 2795 H GLY C 91 38.838 -3.042 -4.949 1.00 0.00 H ATOM 2796 N GLN C 92 41.012 -1.216 -3.274 1.00 13.51 N ATOM 2797 CA GLN C 92 41.686 -0.114 -2.677 1.00 14.80 C ATOM 2798 C GLN C 92 41.628 -0.109 -1.197 1.00 15.20 C ATOM 2799 O GLN C 92 42.669 0.113 -0.560 1.00 17.24 O ATOM 2800 CB GLN C 92 41.143 1.192 -3.277 1.00 13.99 C ATOM 2801 CG GLN C 92 41.772 2.468 -2.774 1.00 13.87 C ATOM 2802 CD GLN C 92 41.577 3.634 -3.766 1.00 14.77 C ATOM 2803 OE1 GLN C 92 42.351 3.874 -4.696 1.00 15.26 O ATOM 2804 NE2 GLN C 92 40.524 4.359 -3.569 1.00 14.24 N ATOM 2805 HE22 GLN C 92 39.883 4.141 -2.780 1.00 0.00 H ATOM 2806 HE21 GLN C 92 40.318 5.160 -4.200 1.00 0.00 H ATOM 2807 H GLN C 92 40.011 -1.113 -3.535 1.00 0.00 H ATOM 2808 N CYS C 93 40.454 -0.347 -0.602 1.00 14.13 N ATOM 2809 CA CYS C 93 40.291 -0.261 0.883 1.00 15.73 C ATOM 2810 C CYS C 93 39.859 -1.554 1.527 1.00 15.52 C ATOM 2811 O CYS C 93 39.881 -1.619 2.771 1.00 17.23 O ATOM 2812 CB CYS C 93 39.304 0.834 1.285 1.00 15.13 C ATOM 2813 SG CYS C 93 37.546 0.393 1.010 1.00 16.42 S ATOM 2814 H CYS C 93 39.632 -0.599 -1.187 1.00 0.00 H ATOM 2815 N GLY C 94 39.514 -2.564 0.786 1.00 16.25 N ATOM 2816 CA GLY C 94 39.089 -3.850 1.363 1.00 16.59 C ATOM 2817 C GLY C 94 37.608 -3.994 1.731 1.00 17.76 C ATOM 2818 O GLY C 94 37.216 -5.058 2.172 1.00 19.70 O ATOM 2819 H GLY C 94 39.539 -2.461 -0.249 1.00 0.00 H ATOM 2820 N SER C 95 36.822 -2.942 1.646 1.00 17.14 N ATOM 2821 CA SER C 95 35.370 -3.014 1.905 1.00 17.78 C ATOM 2822 C SER C 95 34.705 -4.112 1.090 1.00 16.72 C ATOM 2823 O SER C 95 34.985 -4.341 -0.098 1.00 16.62 O ATOM 2824 CB SER C 95 34.709 -1.706 1.520 1.00 17.97 C ATOM 2825 OG SER C 95 33.300 -1.736 1.805 1.00 20.38 O ATOM 2826 HG SER C 95 33.164 -1.888 2.774 1.00 0.00 H ATOM 2827 H SER C 95 37.239 -2.025 1.387 1.00 0.00 H ATOM 2828 N HIS C 96 33.825 -4.889 1.677 1.00 17.26 N ATOM 2829 CA HIS C 96 33.094 -5.926 0.983 1.00 16.54 C ATOM 2830 C HIS C 96 31.976 -5.305 0.181 1.00 17.57 C ATOM 2831 O HIS C 96 30.974 -4.845 0.701 1.00 20.41 O ATOM 2832 CB HIS C 96 32.561 -6.940 1.989 1.00 18.50 C ATOM 2833 CG HIS C 96 31.721 -7.977 1.327 1.00 19.03 C ATOM 2834 ND1 HIS C 96 30.646 -8.568 1.966 1.00 22.00 N ATOM 2835 CD2 HIS C 96 31.743 -8.459 0.054 1.00 18.92 C ATOM 2836 CE1 HIS C 96 30.087 -9.425 1.126 1.00 21.04 C ATOM 2837 NE2 HIS C 96 30.733 -9.385 -0.039 1.00 20.17 N ATOM 2838 H HIS C 96 33.644 -4.752 2.692 1.00 0.00 H ATOM 2839 N LEU C 97 32.150 -5.286 -1.168 1.00 16.27 N ATOM 2840 CA LEU C 97 31.209 -4.588 -2.038 1.00 16.50 C ATOM 2841 C LEU C 97 30.179 -5.514 -2.655 1.00 16.64 C ATOM 2842 O LEU C 97 29.131 -5.040 -3.127 1.00 18.84 O ATOM 2843 CB LEU C 97 31.942 -3.841 -3.167 1.00 16.85 C ATOM 2844 CG LEU C 97 32.927 -2.788 -2.713 1.00 17.25 C ATOM 2845 CD1 LEU C 97 33.507 -2.052 -3.873 1.00 17.05 C ATOM 2846 CD2 LEU C 97 32.273 -1.817 -1.695 1.00 18.09 C ATOM 2847 H LEU C 97 32.966 -5.777 -1.586 1.00 0.00 H ATOM 2848 N GLY C 98 30.408 -6.809 -2.680 1.00 16.50 N ATOM 2849 CA GLY C 98 29.457 -7.737 -3.238 1.00 16.71 C ATOM 2850 C GLY C 98 30.117 -9.043 -3.625 1.00 17.43 C ATOM 2851 O GLY C 98 30.974 -9.558 -2.864 1.00 16.91 O ATOM 2852 H GLY C 98 31.299 -7.173 -2.287 1.00 0.00 H ATOM 2853 N TRP C 99 29.737 -9.566 -4.775 1.00 16.92 N ATOM 2854 CA TRP C 99 30.118 -10.921 -5.164 1.00 17.32 C ATOM 2855 C TRP C 99 30.285 -11.002 -6.659 1.00 17.24 C ATOM 2856 O TRP C 99 29.664 -10.252 -7.417 1.00 18.54 O ATOM 2857 CB TRP C 99 29.081 -11.986 -4.779 1.00 18.61 C ATOM 2858 CG TRP C 99 28.803 -12.021 -3.301 1.00 19.38 C ATOM 2859 CD1 TRP C 99 29.458 -12.772 -2.376 1.00 20.52 C ATOM 2860 CD2 TRP C 99 27.903 -11.165 -2.567 1.00 20.09 C ATOM 2861 NE1 TRP C 99 28.972 -12.478 -1.120 1.00 22.33 N ATOM 2862 CE2 TRP C 99 28.051 -11.487 -1.220 1.00 21.11 C ATOM 2863 CE3 TRP C 99 26.984 -10.165 -2.931 1.00 21.35 C ATOM 2864 CZ2 TRP C 99 27.262 -10.889 -0.209 1.00 22.87 C ATOM 2865 CZ3 TRP C 99 26.261 -9.552 -1.934 1.00 22.05 C ATOM 2866 CH2 TRP C 99 26.396 -9.932 -0.611 1.00 23.73 C ATOM 2867 HE1 TRP C 99 29.265 -12.942 -0.236 1.00 0.00 H ATOM 2868 H TRP C 99 29.151 -8.999 -5.421 1.00 0.00 H ATOM 2869 N HIS C 100 31.105 -11.919 -7.103 1.00 19.15 N ATOM 2870 CA HIS C 100 31.160 -12.312 -8.536 1.00 18.56 C ATOM 2871 C HIS C 100 30.452 -13.614 -8.711 1.00 19.09 C ATOM 2872 O HIS C 100 30.711 -14.537 -7.923 1.00 20.28 O ATOM 2873 CB HIS C 100 32.619 -12.435 -8.979 1.00 20.23 C ATOM 2874 CG HIS C 100 32.787 -12.641 -10.433 1.00 22.07 C ATOM 2875 ND1 HIS C 100 33.329 -13.802 -10.956 1.00 28.63 N ATOM 2876 CD2 HIS C 100 32.490 -11.837 -11.479 1.00 23.16 C ATOM 2877 CE1 HIS C 100 33.362 -13.684 -12.276 1.00 28.32 C ATOM 2878 NE2 HIS C 100 32.899 -12.488 -12.616 1.00 26.48 N ATOM 2879 H HIS C 100 31.742 -12.390 -6.429 1.00 0.00 H ATOM 2880 N TYR C 101 29.580 -13.686 -9.672 1.00 18.18 N ATOM 2881 CA TYR C 101 28.751 -14.878 -9.958 1.00 19.03 C ATOM 2882 C TYR C 101 29.195 -15.531 -11.227 1.00 22.26 C ATOM 2883 O TYR C 101 29.547 -14.857 -12.192 1.00 21.10 O ATOM 2884 CB TYR C 101 27.289 -14.482 -10.067 1.00 19.47 C ATOM 2885 CG TYR C 101 26.711 -14.071 -8.739 1.00 17.95 C ATOM 2886 CD1 TYR C 101 26.113 -15.037 -7.911 1.00 19.90 C ATOM 2887 CD2 TYR C 101 26.722 -12.734 -8.338 1.00 17.78 C ATOM 2888 CE1 TYR C 101 25.604 -14.678 -6.684 1.00 18.86 C ATOM 2889 CE2 TYR C 101 26.204 -12.374 -7.095 1.00 18.37 C ATOM 2890 CZ TYR C 101 25.632 -13.341 -6.306 1.00 18.87 C ATOM 2891 OH TYR C 101 25.149 -12.927 -5.068 1.00 19.86 O ATOM 2892 HH TYR C 101 24.762 -13.703 -4.590 1.00 0.00 H ATOM 2893 H TYR C 101 29.457 -12.851 -10.280 1.00 0.00 H ATOM 2894 N GLU C 102 29.108 -16.875 -11.204 1.00 23.57 N ATOM 2895 CA GLU C 102 29.391 -17.637 -12.441 1.00 27.61 C ATOM 2896 C GLU C 102 28.419 -18.817 -12.482 1.00 28.38 C ATOM 2897 O GLU C 102 28.180 -19.443 -11.464 1.00 27.65 O ATOM 2898 CB GLU C 102 30.837 -18.092 -12.480 1.00 31.61 C ATOM 2899 CG GLU C 102 31.980 -17.263 -11.923 1.00 38.05 C ATOM 2900 CD GLU C 102 33.228 -18.141 -11.691 1.00 45.93 C ATOM 2901 OE1 GLU C 102 33.241 -18.990 -10.748 1.00 53.96 O ATOM 2902 OE2 GLU C 102 34.208 -17.977 -12.460 1.00 53.41 O ATOM 2903 H GLU C 102 28.845 -17.371 -10.328 1.00 0.00 H ATOM 2904 N GLY C 103 27.815 -19.027 -13.668 1.00 30.39 N ATOM 2905 CA GLY C 103 26.965 -20.177 -13.916 1.00 31.46 C ATOM 2906 C GLY C 103 26.663 -20.364 -15.412 1.00 36.84 C ATOM 2907 O GLY C 103 27.416 -19.924 -16.311 1.00 39.26 O ATOM 2908 H GLY C 103 27.963 -18.340 -14.434 1.00 0.00 H ATOM 2909 N GLY C 104 25.522 -20.977 -15.709 1.00 37.48 N ATOM 2910 CA GLY C 104 25.369 -21.780 -16.973 1.00 43.81 C ATOM 2911 C GLY C 104 24.858 -20.998 -18.163 1.00 46.85 C ATOM 2912 O GLY C 104 25.450 -21.080 -19.265 1.00 49.90 O ATOM 2913 H GLY C 104 24.718 -20.900 -15.054 1.00 0.00 H ATOM 2914 N SER C 105 23.844 -20.167 -17.930 1.00 46.16 N ATOM 2915 CA SER C 105 23.175 -19.470 -19.004 1.00 47.09 C ATOM 2916 C SER C 105 23.733 -18.072 -19.192 1.00 44.79 C ATOM 2917 O SER C 105 24.684 -17.672 -18.542 1.00 52.05 O ATOM 2918 CB SER C 105 21.656 -19.428 -18.746 1.00 49.11 C ATOM 2919 OG SER C 105 21.012 -20.579 -19.281 1.00 50.50 O ATOM 2920 HG SER C 105 20.040 -20.525 -19.101 1.00 0.00 H ATOM 2921 H SER C 105 23.526 -20.016 -16.951 1.00 0.00 H ATOM 2922 N GLN C 106 23.165 -17.383 -20.139 1.00 42.35 N ATOM 2923 CA GLN C 106 23.422 -15.984 -20.391 1.00 41.11 C ATOM 2924 C GLN C 106 22.765 -15.176 -19.284 1.00 40.57 C ATOM 2925 O GLN C 106 21.533 -15.196 -19.194 1.00 40.34 O ATOM 2926 CB GLN C 106 22.795 -15.556 -21.719 1.00 42.49 C ATOM 2927 H GLN C 106 22.482 -17.871 -20.754 1.00 0.00 H ATOM 2928 N PRO C 107 23.503 -14.415 -18.504 1.00 38.30 N ATOM 2929 CA PRO C 107 24.963 -14.148 -18.730 1.00 35.87 C ATOM 2930 C PRO C 107 25.772 -15.121 -17.890 1.00 36.99 C ATOM 2931 O PRO C 107 25.336 -15.528 -16.776 1.00 37.93 O ATOM 2932 CB PRO C 107 25.139 -12.713 -18.272 1.00 37.42 C ATOM 2933 CG PRO C 107 24.105 -12.544 -17.235 1.00 36.90 C ATOM 2934 CD PRO C 107 22.898 -13.368 -17.652 1.00 38.19 C ATOM 2935 N GLN C 108 26.889 -15.615 -18.424 1.00 30.44 N ATOM 2936 CA GLN C 108 27.581 -16.636 -17.744 1.00 30.85 C ATOM 2937 C GLN C 108 28.261 -16.161 -16.456 1.00 26.40 C ATOM 2938 O GLN C 108 28.395 -16.943 -15.518 1.00 27.64 O ATOM 2939 CB GLN C 108 28.547 -17.357 -18.641 1.00 33.77 C ATOM 2940 CG GLN C 108 27.852 -18.335 -19.593 1.00 38.14 C ATOM 2941 CD GLN C 108 28.812 -19.388 -20.148 1.00 42.92 C ATOM 2942 OE1 GLN C 108 30.017 -19.163 -20.299 1.00 46.32 O ATOM 2943 NE2 GLN C 108 28.268 -20.544 -20.449 1.00 47.23 N ATOM 2944 HE22 GLN C 108 27.248 -20.692 -20.306 1.00 0.00 H ATOM 2945 HE21 GLN C 108 28.856 -21.312 -20.830 1.00 0.00 H ATOM 2946 H GLN C 108 27.245 -15.251 -19.331 1.00 0.00 H ATOM 2947 N THR C 109 28.666 -14.892 -16.462 1.00 23.98 N ATOM 2948 CA THR C 109 29.247 -14.270 -15.296 1.00 24.00 C ATOM 2949 C THR C 109 28.735 -12.851 -15.182 1.00 23.78 C ATOM 2950 O THR C 109 28.355 -12.181 -16.162 1.00 25.12 O ATOM 2951 CB THR C 109 30.756 -14.219 -15.387 1.00 25.90 C ATOM 2952 OG1 THR C 109 31.135 -13.355 -16.502 1.00 27.68 O ATOM 2953 CG2 THR C 109 31.345 -15.623 -15.498 1.00 26.76 C ATOM 2954 HG1 THR C 109 30.778 -12.444 -16.349 1.00 0.00 H ATOM 2955 H THR C 109 28.561 -14.333 -17.332 1.00 0.00 H ATOM 2956 N PHE C 110 28.691 -12.391 -13.936 1.00 19.54 N ATOM 2957 CA PHE C 110 28.369 -11.014 -13.650 1.00 18.74 C ATOM 2958 C PHE C 110 28.795 -10.714 -12.213 1.00 18.41 C ATOM 2959 O PHE C 110 29.171 -11.621 -11.460 1.00 20.57 O ATOM 2960 CB PHE C 110 26.855 -10.694 -13.860 1.00 19.13 C ATOM 2961 CG PHE C 110 25.932 -11.464 -12.941 1.00 20.17 C ATOM 2962 CD1 PHE C 110 25.507 -12.727 -13.315 1.00 24.26 C ATOM 2963 CD2 PHE C 110 25.500 -10.965 -11.759 1.00 21.06 C ATOM 2964 CE1 PHE C 110 24.643 -13.461 -12.529 1.00 23.81 C ATOM 2965 CE2 PHE C 110 24.622 -11.679 -10.991 1.00 21.25 C ATOM 2966 CZ PHE C 110 24.261 -12.971 -11.326 1.00 23.06 C ATOM 2967 H PHE C 110 28.894 -13.039 -13.148 1.00 0.00 H ATOM 2968 N PHE C 111 28.763 -9.455 -11.900 1.00 16.55 N ATOM 2969 CA PHE C 111 29.062 -8.962 -10.525 1.00 16.45 C ATOM 2970 C PHE C 111 27.779 -8.485 -9.917 1.00 19.33 C ATOM 2971 O PHE C 111 27.051 -7.697 -10.509 1.00 21.69 O ATOM 2972 CB PHE C 111 30.046 -7.815 -10.594 1.00 17.82 C ATOM 2973 CG PHE C 111 31.393 -8.170 -11.211 1.00 17.14 C ATOM 2974 CD1 PHE C 111 31.549 -8.181 -12.598 1.00 17.26 C ATOM 2975 CD2 PHE C 111 32.513 -8.435 -10.394 1.00 17.16 C ATOM 2976 CE1 PHE C 111 32.780 -8.477 -13.097 1.00 16.67 C ATOM 2977 CE2 PHE C 111 33.716 -8.745 -10.954 1.00 16.40 C ATOM 2978 CZ PHE C 111 33.844 -8.815 -12.297 1.00 16.45 C ATOM 2979 H PHE C 111 28.519 -8.763 -12.637 1.00 0.00 H ATOM 2980 N GLY C 112 27.453 -8.974 -8.731 1.00 18.36 N ATOM 2981 CA GLY C 112 26.297 -8.536 -7.948 1.00 18.99 C ATOM 2982 C GLY C 112 26.771 -7.709 -6.799 1.00 17.27 C ATOM 2983 O GLY C 112 27.394 -8.250 -5.891 1.00 18.82 O ATOM 2984 H GLY C 112 28.058 -9.718 -8.329 1.00 0.00 H ATOM 2985 N LEU C 113 26.597 -6.398 -6.856 1.00 17.00 N ATOM 2986 CA LEU C 113 27.186 -5.500 -5.890 1.00 18.59 C ATOM 2987 C LEU C 113 26.090 -4.855 -5.034 1.00 18.73 C ATOM 2988 O LEU C 113 24.959 -4.588 -5.486 1.00 18.56 O ATOM 2989 CB LEU C 113 27.986 -4.404 -6.582 1.00 19.82 C ATOM 2990 CG LEU C 113 29.082 -4.934 -7.523 1.00 20.27 C ATOM 2991 CD1 LEU C 113 29.736 -3.757 -8.176 1.00 21.85 C ATOM 2992 CD2 LEU C 113 30.084 -5.806 -6.805 1.00 20.76 C ATOM 2993 H LEU C 113 26.017 -6.001 -7.622 1.00 0.00 H ATOM 2994 N ILE C 114 26.423 -4.596 -3.775 1.00 20.00 N ATOM 2995 CA ILE C 114 25.505 -4.091 -2.781 1.00 20.83 C ATOM 2996 C ILE C 114 25.321 -2.629 -2.900 1.00 20.75 C ATOM 2997 O ILE C 114 26.234 -1.849 -2.725 1.00 19.78 O ATOM 2998 CB ILE C 114 26.002 -4.461 -1.365 1.00 21.11 C ATOM 2999 CG1 ILE C 114 26.185 -5.964 -1.199 1.00 21.56 C ATOM 3000 CG2 ILE C 114 25.058 -3.923 -0.302 1.00 22.79 C ATOM 3001 CD1 ILE C 114 27.184 -6.252 -0.072 1.00 23.59 C ATOM 3002 H ILE C 114 27.407 -4.768 -3.486 1.00 0.00 H ATOM 3003 N LYS C 115 24.090 -2.197 -3.200 1.00 22.30 N ATOM 3004 CA LYS C 115 23.806 -0.737 -3.358 1.00 22.65 C ATOM 3005 C LYS C 115 24.318 0.121 -2.191 1.00 23.40 C ATOM 3006 O LYS C 115 24.926 1.161 -2.438 1.00 24.57 O ATOM 3007 CB LYS C 115 22.322 -0.544 -3.561 1.00 26.85 C ATOM 3008 CG LYS C 115 21.954 0.930 -3.742 1.00 29.69 C ATOM 3009 CD LYS C 115 20.490 1.130 -4.002 1.00 31.93 C ATOM 3010 CE LYS C 115 20.272 2.570 -4.462 1.00 35.19 C ATOM 3011 NZ LYS C 115 18.834 2.830 -4.726 1.00 36.20 N ATOM 3012 HZ1 LYS C 115 18.497 2.186 -5.470 1.00 0.00 H ATOM 3013 HZ2 LYS C 115 18.289 2.670 -3.855 1.00 0.00 H ATOM 3014 HZ3 LYS C 115 18.712 3.815 -5.037 1.00 0.00 H ATOM 3015 H LYS C 115 23.321 -2.886 -3.325 1.00 0.00 H ATOM 3016 N ASP C 116 24.111 -0.309 -0.953 1.00 24.32 N ATOM 3017 CA ASP C 116 24.512 0.523 0.157 1.00 26.26 C ATOM 3018 C ASP C 116 26.029 0.475 0.482 1.00 24.87 C ATOM 3019 O ASP C 116 26.472 1.098 1.422 1.00 26.57 O ATOM 3020 CB ASP C 116 23.616 0.323 1.385 1.00 29.13 C ATOM 3021 CG ASP C 116 23.897 -0.891 2.125 1.00 33.85 C ATOM 3022 OD1 ASP C 116 25.026 -1.449 2.182 1.00 37.87 O ATOM 3023 OD2 ASP C 116 22.947 -1.210 2.845 1.00 45.33 O ATOM 3024 H ASP C 116 23.666 -1.234 -0.784 1.00 0.00 H ATOM 3025 N ARG C 117 26.801 -0.246 -0.311 1.00 22.81 N ATOM 3026 CA ARG C 117 28.247 -0.215 -0.206 1.00 22.70 C ATOM 3027 C ARG C 117 28.842 0.617 -1.325 1.00 21.68 C ATOM 3028 O ARG C 117 30.069 0.769 -1.377 1.00 20.14 O ATOM 3029 CB ARG C 117 28.786 -1.654 -0.228 1.00 23.78 C ATOM 3030 CG ARG C 117 28.248 -2.488 0.891 1.00 26.65 C ATOM 3031 CD ARG C 117 29.156 -2.539 2.077 1.00 29.01 C ATOM 3032 NE ARG C 117 28.394 -3.160 3.200 1.00 32.12 N ATOM 3033 CZ ARG C 117 28.449 -4.434 3.546 1.00 33.72 C ATOM 3034 NH1 ARG C 117 29.334 -5.283 3.017 1.00 31.03 N ATOM 3035 NH2 ARG C 117 27.676 -4.802 4.600 1.00 35.03 N ATOM 3036 HE ARG C 117 27.770 -2.540 3.755 1.00 0.00 H ATOM 3037 HH12 ARG C 117 29.343 -6.279 3.318 1.00 0.00 H ATOM 3038 HH11 ARG C 117 30.014 -4.949 2.305 1.00 0.00 H ATOM 3039 HH22 ARG C 117 27.674 -5.791 4.923 1.00 0.00 H ATOM 3040 HH21 ARG C 117 27.086 -4.095 5.084 1.00 0.00 H ATOM 3041 H ARG C 117 26.359 -0.853 -1.031 1.00 0.00 H ATOM 3042 N LEU C 118 28.016 1.237 -2.154 1.00 20.85 N ATOM 3043 CA LEU C 118 28.467 1.984 -3.344 1.00 19.99 C ATOM 3044 C LEU C 118 27.996 3.416 -3.286 1.00 19.70 C ATOM 3045 O LEU C 118 27.052 3.733 -2.555 1.00 21.90 O ATOM 3046 CB LEU C 118 27.967 1.355 -4.663 1.00 20.86 C ATOM 3047 CG LEU C 118 28.452 -0.060 -4.968 1.00 23.60 C ATOM 3048 CD1 LEU C 118 27.776 -0.632 -6.161 1.00 25.17 C ATOM 3049 CD2 LEU C 118 29.938 -0.069 -5.144 1.00 24.86 C ATOM 3050 H LEU C 118 26.996 1.195 -1.956 1.00 0.00 H ATOM 3051 N ALA C 119 28.674 4.304 -3.939 1.00 19.58 N ATOM 3052 CA ALA C 119 28.254 5.709 -4.185 1.00 19.25 C ATOM 3053 C ALA C 119 28.049 5.841 -5.706 1.00 18.13 C ATOM 3054 O ALA C 119 28.850 5.275 -6.521 1.00 18.28 O ATOM 3055 CB ALA C 119 29.338 6.667 -3.773 1.00 20.22 C ATOM 3056 H ALA C 119 29.593 4.009 -4.326 1.00 0.00 H ATOM 3057 N GLU C 120 27.004 6.543 -6.099 1.00 18.08 N ATOM 3058 CA GLU C 120 26.752 6.731 -7.546 1.00 19.61 C ATOM 3059 C GLU C 120 26.979 8.186 -7.888 1.00 19.45 C ATOM 3060 O GLU C 120 26.613 9.071 -7.143 1.00 17.34 O ATOM 3061 CB GLU C 120 25.299 6.299 -7.887 1.00 23.25 C ATOM 3062 CG GLU C 120 24.200 6.990 -7.129 1.00 27.86 C ATOM 3063 CD GLU C 120 22.799 6.459 -7.426 1.00 31.61 C ATOM 3064 OE1 GLU C 120 22.689 5.440 -8.208 1.00 31.62 O ATOM 3065 OE2 GLU C 120 21.869 7.085 -6.847 1.00 40.05 O ATOM 3066 H GLU C 120 26.361 6.962 -5.397 1.00 0.00 H ATOM 3067 N GLY C 121 27.432 8.435 -9.128 1.00 19.41 N ATOM 3068 CA GLY C 121 27.580 9.817 -9.571 1.00 20.74 C ATOM 3069 C GLY C 121 27.767 9.891 -11.068 1.00 20.46 C ATOM 3070 O GLY C 121 27.650 8.906 -11.760 1.00 19.73 O ATOM 3071 H GLY C 121 27.675 7.650 -9.766 1.00 0.00 H ATOM 3072 N PRO C 122 27.968 11.119 -11.537 1.00 20.64 N ATOM 3073 CA PRO C 122 28.012 11.345 -12.984 1.00 22.56 C ATOM 3074 C PRO C 122 29.226 10.799 -13.671 1.00 23.92 C ATOM 3075 O PRO C 122 30.262 10.553 -13.057 1.00 25.01 O ATOM 3076 CB PRO C 122 28.011 12.854 -13.062 1.00 23.98 C ATOM 3077 CG PRO C 122 28.561 13.349 -11.741 1.00 24.30 C ATOM 3078 CD PRO C 122 28.030 12.374 -10.758 1.00 23.17 C ATOM 3079 N ALA C 123 29.055 10.574 -15.005 1.00 26.69 N ATOM 3080 CA ALA C 123 30.248 10.144 -15.800 1.00 28.27 C ATOM 3081 C ALA C 123 31.386 11.190 -15.774 1.00 29.31 C ATOM 3082 O ALA C 123 31.114 12.409 -15.642 1.00 31.34 O ATOM 3083 CB ALA C 123 29.856 9.824 -17.231 1.00 30.08 C ATOM 3084 H ALA C 123 28.126 10.697 -15.455 1.00 0.00 H TER 3085 ALA C 123 HETATM 3086 ZN ZN A 1 24.106 27.292 9.989 1.00 11.83 ZN HETATM 3087 ZN ZN A 2 43.463 10.827 30.091 1.00 15.42 ZN HETATM 3088 ZN ZN A 3 37.013 1.062 -1.115 1.00 15.73 ZN HETATM 3089 O HOH 4 14.489 27.134 11.651 1.00 21.28 O HETATM 3090 O HOH 5 13.808 24.452 -5.153 1.00 29.95 O HETATM 3091 O HOH 6 14.224 25.753 18.342 1.00 34.42 O HETATM 3092 O HOH 7 23.994 33.232 -0.433 1.00 48.24 O HETATM 3093 O HOH 8 10.095 22.924 -10.366 1.00 32.94 O HETATM 3094 O HOH 9 28.053 20.680 -3.837 1.00 48.76 O HETATM 3095 O HOH 10 14.878 22.630 -7.125 1.00 26.85 O HETATM 3096 O HOH 11 15.050 18.887 -16.013 1.00 18.94 O HETATM 3097 O HOH 12 31.750 27.291 11.622 1.00 31.99 O HETATM 3098 O HOH 13 8.459 11.612 5.227 1.00 18.87 O HETATM 3099 O HOH 14 31.701 16.390 8.068 1.00 17.84 O HETATM 3100 O HOH 15 8.182 16.056 0.276 1.00 25.86 O HETATM 3101 O HOH 16 28.721 13.369 3.494 1.00 19.16 O HETATM 3102 O HOH 17 21.040 9.241 13.798 1.00 40.61 O HETATM 3103 O HOH 18 21.122 26.237 -7.036 1.00 16.75 O HETATM 3104 O HOH 19 30.546 17.063 4.603 1.00 22.45 O HETATM 3105 O HOH 20 17.414 32.919 6.795 1.00 31.28 O HETATM 3106 O HOH 21 20.243 24.974 -9.294 1.00 17.25 O HETATM 3107 O HOH 22 28.304 27.908 1.693 1.00 37.95 O HETATM 3108 O HOH 23 23.989 14.363 11.736 1.00 24.29 O HETATM 3109 O HOH 24 20.397 12.974 18.594 1.00 26.93 O HETATM 3110 O HOH 25 16.337 21.681 20.134 1.00 23.33 O HETATM 3111 O HOH 26 23.163 9.342 13.121 1.00 37.49 O HETATM 3112 O HOH 27 29.879 23.042 15.608 1.00 20.89 O HETATM 3113 O HOH 28 29.872 24.564 6.494 1.00 23.65 O HETATM 3114 O HOH 29 9.432 9.733 8.529 1.00 34.52 O HETATM 3115 O HOH 30 6.650 18.268 2.144 1.00 31.16 O HETATM 3116 O HOH 31 30.605 15.060 2.171 1.00 32.05 O HETATM 3117 O HOH 32 11.672 8.727 10.832 1.00 34.88 O HETATM 3118 O HOH 33 15.790 30.453 -5.081 1.00 30.96 O HETATM 3119 O HOH 34 10.675 15.692 -14.270 1.00 16.43 O HETATM 3120 O HOH 35 23.502 23.041 -13.343 1.00 25.68 O HETATM 3121 O HOH 36 10.290 22.064 13.523 1.00 41.26 O HETATM 3122 O HOH 37 12.831 9.292 -8.866 1.00 32.28 O HETATM 3123 O HOH 38 9.444 21.499 -0.236 1.00 38.26 O HETATM 3124 O HOH 39 15.164 31.621 -1.801 1.00 34.98 O HETATM 3125 O HOH 40 20.987 5.943 -4.143 1.00 42.21 O HETATM 3126 O HOH 41 15.786 30.539 6.333 1.00 33.39 O HETATM 3127 O HOH 42 13.144 16.478 23.463 1.00 29.01 O HETATM 3128 O HOH 43 6.034 17.546 -2.739 1.00 24.11 O HETATM 3129 O HOH 44 11.210 9.846 15.598 1.00 53.70 O HETATM 3130 O HOH 45 13.652 19.145 24.658 1.00 28.05 O HETATM 3131 O HOH 46 26.042 12.617 12.312 1.00 17.58 O HETATM 3132 O HOH 47 28.272 32.870 8.517 1.00 24.78 O HETATM 3133 O HOH 48 32.315 20.867 10.712 1.00 31.13 O HETATM 3134 O HOH 49 29.108 30.481 5.364 1.00 36.66 O HETATM 3135 O HOH 50 7.417 20.254 -8.616 1.00 23.57 O HETATM 3136 O HOH 51 3.788 15.314 -4.386 1.00 26.27 O HETATM 3137 O HOH 52 14.619 9.630 26.458 1.00 36.24 O HETATM 3138 O HOH 53 11.275 14.143 14.941 1.00 21.74 O HETATM 3139 O HOH 54 32.189 17.396 2.440 1.00 26.30 O HETATM 3140 O HOH 55 25.723 21.733 -5.530 1.00 28.59 O HETATM 3141 O HOH 56 27.010 22.478 8.665 1.00 15.34 O HETATM 3142 O HOH 57 31.242 20.592 14.711 1.00 28.00 O HETATM 3143 O HOH 58 15.195 4.418 5.218 1.00 35.55 O HETATM 3144 O HOH 59 29.365 21.204 8.534 1.00 24.13 O HETATM 3145 O HOH 60 14.325 16.385 -14.058 1.00 33.27 O HETATM 3146 O HOH 61 9.678 19.068 0.010 1.00 27.50 O HETATM 3147 O HOH 62 16.165 13.024 -14.329 1.00 36.60 O HETATM 3148 O HOH 63 16.484 8.063 -9.022 1.00 27.54 O HETATM 3149 O HOH 64 9.859 9.536 -6.011 1.00 40.99 O HETATM 3150 O HOH 65 9.425 20.269 18.667 1.00 50.79 O HETATM 3151 O HOH 66 10.594 25.748 14.394 1.00 37.08 O HETATM 3152 O HOH 67 14.556 9.069 17.847 1.00 43.22 O HETATM 3153 O HOH 68 29.496 24.948 3.461 1.00 20.12 O HETATM 3154 O HOH 69 30.468 24.705 0.881 1.00 41.60 O HETATM 3155 O HOH 70 22.592 3.409 2.711 1.00 43.92 O HETATM 3156 O HOH 71 30.853 8.182 6.765 1.00 38.46 O HETATM 3157 O HOH 72 28.472 11.220 6.459 1.00 27.33 O HETATM 3158 O HOH 73 23.060 15.722 -16.575 1.00 36.31 O HETATM 3159 O HOH 74 13.064 6.659 6.528 1.00 38.06 O HETATM 3160 O HOH 75 4.586 7.357 -1.755 1.00 37.86 O HETATM 3161 O HOH 76 2.809 17.898 -3.735 1.00 32.16 O HETATM 3162 O HOH 77 21.808 3.603 0.364 1.00 50.09 O HETATM 3163 O HOH 78 16.934 15.690 -13.668 1.00 30.51 O HETATM 3164 O HOH 79 13.991 7.186 12.359 1.00 44.66 O HETATM 3165 O HOH 80 32.250 19.883 -4.310 1.00 35.33 O HETATM 3166 O HOH 81 22.845 4.758 -1.491 1.00 38.61 O HETATM 3167 O HOH 82 15.819 22.363 22.581 1.00 43.24 O HETATM 3168 O HOH 83 19.749 9.158 15.985 1.00 36.59 O HETATM 3169 O HOH 84 22.681 5.493 8.628 1.00 49.49 O HETATM 3170 O HOH 85 5.282 16.922 12.162 1.00 39.70 O HETATM 3171 O HOH 86 31.003 19.302 9.018 1.00 24.48 O HETATM 3172 O HOH 87 12.703 21.179 12.706 1.00 40.82 O HETATM 3173 O HOH 88 10.308 11.874 -10.197 1.00 19.40 O HETATM 3174 O HOH 89 17.954 7.853 -6.641 1.00 35.60 O HETATM 3175 O HOH 90 11.098 7.370 -4.833 1.00 44.23 O HETATM 3176 O HOH 91 20.688 29.315 -10.660 1.00 45.01 O HETATM 3177 O HOH 92 14.520 10.296 20.642 1.00 36.06 O HETATM 3178 O HOH 93 19.206 9.902 -11.501 1.00 37.50 O HETATM 3179 O HOH 94 25.669 21.650 -12.209 1.00 37.99 O HETATM 3180 O HOH 95 13.301 29.224 10.320 1.00 27.59 O HETATM 3181 O HOH 96 11.666 11.654 17.415 1.00 56.15 O HETATM 3182 O HOH 97 16.660 7.945 16.791 1.00 40.38 O HETATM 3183 O HOH 98 6.159 9.602 -1.490 1.00 46.89 O HETATM 3184 O HOH 99 27.308 25.645 -1.986 1.00 47.19 O HETATM 3185 O HOH 100 15.492 7.219 -5.233 1.00 38.80 O HETATM 3186 O HOH 101 27.485 23.124 -4.106 1.00 41.32 O HETATM 3187 O HOH 102 5.752 21.249 -6.446 1.00 37.56 O HETATM 3188 O HOH 103 5.585 20.733 -9.586 1.00 39.72 O HETATM 3189 O HOH 104 13.093 11.748 -16.002 1.00 41.31 O HETATM 3190 O HOH 105 9.426 8.167 12.482 1.00 46.37 O HETATM 3191 O HOH 106 6.680 19.924 14.267 1.00 35.39 O HETATM 3192 O HOH 107 29.166 28.575 9.036 1.00 28.20 O HETATM 3193 O HOH 108 23.458 27.840 -7.639 1.00 36.18 O HETATM 3194 O HOH 109 30.750 26.795 7.717 1.00 40.74 O HETATM 3195 O HOH 110 22.354 25.324 -11.097 1.00 35.60 O HETATM 3196 O HOH 111 6.722 9.746 4.408 1.00 34.65 O HETATM 3197 O HOH 112 11.713 10.005 19.829 1.00 44.22 O HETATM 3198 O HOH 113 6.996 8.046 8.458 1.00 46.50 O HETATM 3199 O HOH 114 28.548 27.004 -0.438 1.00 49.98 O HETATM 3200 O HOH 115 25.421 28.715 -6.062 1.00 44.50 O HETATM 3201 O HOH 116 32.127 18.773 17.066 1.00 28.12 O HETATM 3202 O HOH 117 37.856 18.097 14.612 1.00 37.44 O HETATM 3203 O HOH 118 42.006 2.360 16.960 1.00 28.63 O HETATM 3204 O HOH 119 29.210 17.192 29.116 1.00 52.05 O HETATM 3205 O HOH 120 36.978 17.160 12.139 1.00 24.63 O HETATM 3206 O HOH 121 45.339 12.785 16.570 1.00 30.36 O HETATM 3207 O HOH 122 36.285 18.566 22.262 1.00 33.68 O HETATM 3208 O HOH 123 28.502 5.675 37.588 1.00 34.00 O HETATM 3209 O HOH 124 30.591 8.188 9.220 1.00 34.85 O HETATM 3210 O HOH 125 34.601 15.226 18.290 1.00 15.16 O HETATM 3211 O HOH 126 43.091 -0.793 14.350 1.00 29.09 O HETATM 3212 O HOH 127 40.148 7.766 11.986 1.00 25.18 O HETATM 3213 O HOH 128 33.790 -2.893 14.421 1.00 31.95 O HETATM 3214 O HOH 129 45.956 -3.175 11.707 1.00 41.99 O HETATM 3215 O HOH 130 31.416 -3.313 17.340 1.00 17.51 O HETATM 3216 O HOH 131 15.502 -0.135 26.153 1.00 35.40 O HETATM 3217 O HOH 132 28.768 -3.509 23.232 1.00 20.88 O HETATM 3218 O HOH 133 28.511 10.525 8.988 1.00 22.19 O HETATM 3219 O HOH 134 47.411 -0.136 24.800 1.00 34.63 O HETATM 3220 O HOH 135 22.583 10.567 16.236 1.00 35.71 O HETATM 3221 O HOH 136 26.396 10.843 34.472 1.00 16.14 O HETATM 3222 O HOH 137 43.629 -2.436 18.308 1.00 27.24 O HETATM 3223 O HOH 138 20.814 10.628 17.851 1.00 36.30 O HETATM 3224 O HOH 139 27.226 3.074 32.874 1.00 29.23 O HETATM 3225 O HOH 140 49.702 14.854 29.466 1.00 45.02 O HETATM 3226 O HOH 141 39.179 2.673 34.396 1.00 18.28 O HETATM 3227 O HOH 142 19.063 5.119 36.656 1.00 44.64 O HETATM 3228 O HOH 143 15.868 9.420 22.766 1.00 35.91 O HETATM 3229 O HOH 144 24.754 4.400 31.348 1.00 25.84 O HETATM 3230 O HOH 145 39.662 17.473 28.079 1.00 32.31 O HETATM 3231 O HOH 146 32.338 14.891 10.408 1.00 13.50 O HETATM 3232 O HOH 147 23.781 10.067 34.050 1.00 14.44 O HETATM 3233 O HOH 148 36.246 -1.256 12.667 1.00 29.33 O HETATM 3234 O HOH 149 39.951 15.763 16.085 1.00 26.43 O HETATM 3235 O HOH 150 41.293 16.735 33.427 1.00 38.05 O HETATM 3236 O HOH 151 30.349 22.210 21.531 1.00 30.02 O HETATM 3237 O HOH 152 34.478 6.787 44.278 1.00 30.96 O HETATM 3238 O HOH 153 17.097 0.651 21.425 1.00 41.01 O HETATM 3239 O HOH 154 38.661 6.613 39.130 1.00 41.11 O HETATM 3240 O HOH 155 45.981 -12.519 19.747 1.00 37.96 O HETATM 3241 O HOH 156 24.736 -5.860 30.155 1.00 31.13 O HETATM 3242 O HOH 157 35.863 -5.623 14.322 1.00 31.16 O HETATM 3243 O HOH 158 47.584 -15.215 17.574 1.00 25.01 O HETATM 3244 O HOH 159 15.912 8.162 33.369 1.00 33.50 O HETATM 3245 O HOH 160 41.601 17.323 18.831 1.00 42.72 O HETATM 3246 O HOH 161 20.073 13.564 33.705 1.00 26.95 O HETATM 3247 O HOH 162 37.346 1.143 10.474 1.00 46.17 O HETATM 3248 O HOH 163 19.317 3.387 19.918 1.00 34.53 O HETATM 3249 O HOH 164 34.580 11.610 10.265 1.00 14.88 O HETATM 3250 O HOH 165 26.008 4.734 35.926 1.00 35.82 O HETATM 3251 O HOH 166 43.783 1.295 29.337 1.00 28.78 O HETATM 3252 O HOH 167 40.778 -6.877 13.842 1.00 34.55 O HETATM 3253 O HOH 168 32.169 4.085 38.111 1.00 30.03 O HETATM 3254 O HOH 169 19.784 9.508 36.900 1.00 41.30 O HETATM 3255 O HOH 170 28.252 12.494 10.789 1.00 17.00 O HETATM 3256 O HOH 171 26.818 15.173 29.851 1.00 22.35 O HETATM 3257 O HOH 172 48.575 8.764 17.872 1.00 52.58 O HETATM 3258 O HOH 173 21.455 0.394 15.358 1.00 39.78 O HETATM 3259 O HOH 174 16.805 22.866 25.372 1.00 20.93 O HETATM 3260 O HOH 175 24.295 -7.131 24.690 1.00 29.95 O HETATM 3261 O HOH 176 19.722 -4.122 29.179 1.00 42.25 O HETATM 3262 O HOH 177 39.548 8.668 38.151 1.00 28.56 O HETATM 3263 O HOH 178 43.623 1.227 31.675 1.00 31.10 O HETATM 3264 O HOH 179 41.240 14.287 25.843 1.00 16.70 O HETATM 3265 O HOH 180 35.422 7.028 10.082 1.00 31.24 O HETATM 3266 O HOH 181 40.740 10.654 17.168 1.00 23.16 O HETATM 3267 O HOH 182 26.825 -5.003 26.076 1.00 24.13 O HETATM 3268 O HOH 183 45.189 -2.588 24.979 1.00 50.59 O HETATM 3269 O HOH 184 29.975 4.013 10.141 1.00 29.09 O HETATM 3270 O HOH 185 41.626 -1.999 16.537 1.00 19.16 O HETATM 3271 O HOH 186 31.518 1.411 11.881 1.00 32.83 O HETATM 3272 O HOH 187 22.314 -2.748 30.389 1.00 34.74 O HETATM 3273 O HOH 188 37.318 17.536 29.892 1.00 25.63 O HETATM 3274 O HOH 189 30.015 -1.206 26.796 1.00 16.50 O HETATM 3275 O HOH 190 31.647 20.291 22.544 1.00 40.47 O HETATM 3276 O HOH 191 47.276 7.224 19.867 1.00 23.39 O HETATM 3277 O HOH 192 29.603 8.249 40.594 1.00 36.79 O HETATM 3278 O HOH 193 37.625 -7.723 21.340 1.00 18.18 O HETATM 3279 O HOH 194 20.487 15.349 28.848 1.00 21.39 O HETATM 3280 O HOH 195 47.221 10.672 17.026 1.00 27.93 O HETATM 3281 O HOH 196 23.711 12.129 15.057 1.00 27.89 O HETATM 3282 O HOH 197 17.524 -1.260 22.837 1.00 52.02 O HETATM 3283 O HOH 198 48.109 3.744 13.788 1.00 37.90 O HETATM 3284 O HOH 199 32.961 17.214 19.380 1.00 15.28 O HETATM 3285 O HOH 200 45.408 -7.705 13.160 1.00 35.01 O HETATM 3286 O HOH 201 51.453 5.612 19.397 1.00 48.98 O HETATM 3287 O HOH 202 26.705 21.410 28.192 1.00 32.89 O HETATM 3288 O HOH 203 47.395 10.662 23.216 1.00 33.34 O HETATM 3289 O HOH 204 20.028 1.853 33.147 1.00 46.89 O HETATM 3290 O HOH 205 38.240 10.411 36.361 1.00 24.89 O HETATM 3291 O HOH 206 28.719 23.706 20.510 1.00 23.47 O HETATM 3292 O HOH 207 41.055 -9.078 15.438 1.00 31.89 O HETATM 3293 O HOH 208 42.079 3.445 34.441 1.00 29.57 O HETATM 3294 O HOH 209 18.262 7.340 18.643 1.00 36.57 O HETATM 3295 O HOH 210 25.287 1.348 35.943 1.00 43.02 O HETATM 3296 O HOH 211 47.737 2.931 28.051 1.00 45.47 O HETATM 3297 O HOH 212 26.568 -0.426 32.576 1.00 32.59 O HETATM 3298 O HOH 213 23.503 10.938 39.203 1.00 38.38 O HETATM 3299 O HOH 214 21.036 -4.262 16.296 1.00 55.05 O HETATM 3300 O HOH 215 35.162 20.942 19.763 1.00 39.32 O HETATM 3301 O HOH 216 16.337 9.807 34.114 1.00 41.58 O HETATM 3302 O HOH 217 25.163 -8.399 27.149 1.00 36.94 O HETATM 3303 O HOH 218 46.886 -2.022 23.039 1.00 53.30 O HETATM 3304 O HOH 219 51.069 -1.076 15.681 1.00 48.60 O HETATM 3305 O HOH 220 17.439 16.751 32.154 1.00 39.94 O HETATM 3306 O HOH 221 28.504 10.678 41.402 1.00 39.81 O HETATM 3307 O HOH 222 25.273 -1.998 15.227 1.00 44.20 O HETATM 3308 O HOH 223 21.330 5.783 16.382 1.00 44.85 O HETATM 3309 O HOH 224 12.551 3.450 23.643 1.00 42.24 O HETATM 3310 O HOH 225 46.636 15.755 32.685 1.00 43.62 O HETATM 3311 O HOH 226 21.057 0.653 36.940 1.00 47.26 O HETATM 3312 O HOH 227 49.847 13.035 25.582 1.00 51.36 O HETATM 3313 O HOH 228 23.967 -2.274 34.968 1.00 51.55 O HETATM 3314 O HOH 229 20.920 1.494 9.164 1.00 49.49 O HETATM 3315 O HOH 230 13.956 1.663 21.700 1.00 42.10 O HETATM 3316 O HOH 231 44.508 17.465 24.988 1.00 54.37 O HETATM 3317 O HOH 232 40.680 -9.524 18.142 1.00 31.39 O HETATM 3318 O HOH 233 27.225 12.462 40.128 1.00 45.33 O HETATM 3319 O HOH 234 19.591 1.000 12.148 1.00 54.73 O HETATM 3320 O HOH 235 25.636 15.739 32.328 1.00 39.70 O HETATM 3321 O HOH 236 22.569 12.489 34.875 1.00 23.32 O HETATM 3322 O HOH 237 29.814 -4.709 15.644 1.00 31.86 O HETATM 3323 O HOH 238 20.020 15.819 31.640 1.00 29.29 O HETATM 3324 O HOH 239 41.545 16.683 24.724 1.00 30.62 O HETATM 3325 O HOH 240 18.703 8.865 39.394 1.00 46.21 O HETATM 3326 O HOH 241 25.811 23.075 30.157 1.00 37.89 O HETATM 3327 O HOH 242 17.416 19.407 30.351 1.00 34.76 O HETATM 3328 O HOH 243 10.630 4.673 13.155 1.00 58.03 O HETATM 3329 O HOH 244 32.942 -18.251 -2.253 1.00 31.66 O HETATM 3330 O HOH 245 11.772 0.865 -13.508 1.00 42.30 O HETATM 3331 O HOH 246 28.306 -10.931 -18.347 1.00 43.30 O HETATM 3332 O HOH 247 35.585 7.432 -12.833 1.00 35.64 O HETATM 3333 O HOH 248 41.372 -6.467 1.737 1.00 38.33 O HETATM 3334 O HOH 249 34.595 -16.167 -1.782 1.00 28.39 O HETATM 3335 O HOH 250 37.322 5.919 4.154 1.00 40.29 O HETATM 3336 O HOH 251 28.468 3.747 -18.641 1.00 40.50 O HETATM 3337 O HOH 252 31.418 14.508 -14.101 1.00 44.77 O HETATM 3338 O HOH 253 20.910 -5.251 -11.972 1.00 24.51 O HETATM 3339 O HOH 254 31.099 6.684 2.882 1.00 46.40 O HETATM 3340 O HOH 255 24.398 3.537 -3.518 1.00 37.42 O HETATM 3341 O HOH 256 27.832 -11.095 3.196 1.00 50.87 O HETATM 3342 O HOH 257 38.132 -2.502 4.592 1.00 57.97 O HETATM 3343 O HOH 258 35.482 0.839 -20.854 1.00 48.15 O HETATM 3344 O HOH 259 23.080 -22.948 -4.947 1.00 41.82 O HETATM 3345 O HOH 260 27.468 -14.926 -20.979 1.00 44.54 O HETATM 3346 O HOH 261 14.863 -1.841 -17.402 1.00 40.27 O HETATM 3347 O HOH 262 18.407 -19.572 -12.676 1.00 29.22 O HETATM 3348 O HOH 263 33.826 -11.580 -15.008 1.00 24.53 O HETATM 3349 O HOH 264 30.281 1.133 3.008 1.00 32.71 O HETATM 3350 O HOH 265 22.905 7.609 -15.865 1.00 40.78 O HETATM 3351 O HOH 266 31.345 -10.848 -15.414 1.00 29.32 O HETATM 3352 O HOH 267 43.546 -3.296 -0.714 1.00 35.98 O HETATM 3353 O HOH 268 41.998 -4.706 -7.378 1.00 30.98 O HETATM 3354 O HOH 269 32.729 -2.113 4.472 1.00 38.74 O HETATM 3355 O HOH 270 33.601 -15.826 -9.100 1.00 36.42 O HETATM 3356 O HOH 271 39.150 1.433 -10.480 1.00 27.86 O HETATM 3357 O HOH 272 14.504 -5.523 -19.392 1.00 26.99 O HETATM 3358 O HOH 273 42.077 -12.109 -6.598 1.00 38.70 O HETATM 3359 O HOH 274 31.611 0.332 0.898 1.00 22.60 O HETATM 3360 O HOH 275 41.553 0.086 4.250 1.00 32.48 O HETATM 3361 O HOH 276 41.486 -5.243 -0.975 1.00 27.97 O HETATM 3362 O HOH 277 34.865 8.213 1.487 1.00 33.84 O HETATM 3363 O HOH 278 32.959 9.961 -12.411 1.00 37.93 O HETATM 3364 O HOH 279 9.778 -2.924 -9.049 1.00 42.91 O HETATM 3365 O HOH 280 35.054 -7.192 -15.451 1.00 18.27 O HETATM 3366 O HOH 281 28.537 -24.727 -2.680 1.00 40.47 O HETATM 3367 O HOH 282 24.259 -22.172 -7.149 1.00 42.14 O HETATM 3368 O HOH 283 29.152 -13.333 1.608 1.00 35.50 O HETATM 3369 O HOH 284 26.228 11.174 -15.981 1.00 33.71 O HETATM 3370 O HOH 285 15.316 -0.585 -10.227 1.00 38.25 O HETATM 3371 O HOH 286 25.667 -17.770 1.830 1.00 35.37 O HETATM 3372 O HOH 287 33.220 -4.645 4.519 1.00 25.80 O HETATM 3373 O HOH 288 36.686 -18.077 -7.277 1.00 40.61 O HETATM 3374 O HOH 289 29.925 -20.476 1.668 1.00 46.27 O HETATM 3375 O HOH 290 21.716 0.402 -17.952 1.00 43.18 O HETATM 3376 O HOH 291 19.834 5.004 -8.973 1.00 53.12 O HETATM 3377 O HOH 292 31.945 -17.449 -8.535 1.00 35.49 O HETATM 3378 O HOH 293 19.798 -16.588 -21.237 1.00 47.83 O HETATM 3379 O HOH 294 21.989 -2.459 -0.273 1.00 30.40 O HETATM 3380 O HOH 295 42.651 -0.985 -8.562 1.00 30.28 O HETATM 3381 O HOH 296 25.864 -9.830 8.579 1.00 52.07 O HETATM 3382 O HOH 297 15.639 -15.965 6.848 1.00 39.44 O HETATM 3383 O HOH 298 44.452 -9.060 2.045 1.00 56.76 O HETATM 3384 O HOH 299 33.624 -24.441 -6.344 1.00 46.50 O HETATM 3385 O HOH 300 42.335 -3.927 3.129 1.00 48.64 O HETATM 3386 O HOH 301 17.716 2.349 -10.112 1.00 50.68 O HETATM 3387 O HOH 302 13.059 -7.897 -19.715 1.00 38.75 O HETATM 3388 O HOH 303 46.283 -10.042 0.466 1.00 51.35 O HETATM 3389 O HOH 304 17.100 -10.889 -8.798 1.00 23.72 O HETATM 3390 O HOH 305 34.910 5.293 -14.760 1.00 40.63 O HETATM 3391 O HOH 306 18.866 6.411 -11.089 1.00 41.70 O HETATM 3392 O HOH 307 37.113 0.767 4.142 1.00 42.43 O HETATM 3393 O HOH 308 16.120 -1.491 -19.613 1.00 50.97 O HETATM 3394 O HOH 309 16.990 -15.830 -2.702 1.00 41.92 O HETATM 3395 O HOH 310 32.790 8.469 -17.689 1.00 40.42 O HETATM 3396 O HOH 311 14.201 -14.356 -1.963 1.00 53.17 O HETATM 3397 O HOH 312 35.488 -11.503 3.553 1.00 51.25 O HETATM 3398 C4 JPW A 313 23.530 19.492 30.407 1.00 -0.01 C HETATM 3399 C5 JPW A 313 22.021 19.549 30.211 1.00 -0.04 C HETATM 3400 C6 JPW A 313 21.404 20.876 30.638 1.00 -0.01 C HETATM 3401 C7 JPW A 313 21.794 21.181 32.071 1.00 -0.02 C HETATM 3402 C8 JPW A 313 23.300 21.312 32.186 1.00 -0.01 C HETATM 3403 C9 JPW A 313 23.970 20.006 31.780 1.00 -0.04 C HETATM 3404 H9 JPW A 313 25.058 20.165 31.759 1.00 0.03 H HETATM 3405 H10 JPW A 313 23.726 19.241 32.532 1.00 0.03 H HETATM 3406 H7 JPW A 313 23.566 21.550 33.226 1.00 0.03 H HETATM 3407 H8 JPW A 313 23.647 22.120 31.525 1.00 0.03 H HETATM 3408 N2 JPW A 313 21.113 22.424 32.563 1.00 0.22 N HETATM 3409 H16 JPW A 313 20.114 22.316 32.478 1.00 0.20 H HETATM 3410 H17 JPW A 313 21.414 23.212 32.012 1.00 0.20 H HETATM 3411 H18 JPW A 313 21.353 22.578 33.530 1.00 0.20 H HETATM 3412 H6 JPW A 313 21.471 20.340 32.703 1.00 0.09 H HETATM 3413 H4 JPW A 313 20.308 20.811 30.563 1.00 0.03 H HETATM 3414 H5 JPW A 313 21.770 21.678 29.980 1.00 0.03 H HETATM 3415 H2 JPW A 313 21.562 18.744 30.804 1.00 0.03 H HETATM 3416 H3 JPW A 313 21.802 19.390 29.145 1.00 0.03 H HETATM 3417 C3 JPW A 313 24.058 18.082 30.223 1.00 0.08 C HETATM 3418 O1 JPW A 313 23.297 17.339 29.239 1.00 -0.26 O HETATM 3419 C2 JPW A 313 24.051 16.547 28.404 1.00 0.32 C HETATM 3420 N1 JPW A 313 23.234 15.625 27.949 1.00 -0.24 N HETATM 3421 C1 JPW A 313 23.597 14.620 26.957 1.00 0.14 C HETATM 3422 C10 JPW A 313 22.494 14.406 26.009 1.00 0.23 C HETATM 3423 N3 JPW A 313 22.271 13.133 25.566 1.00 -0.20 N HETATM 3424 C11 JPW A 313 23.089 12.032 25.744 1.00 0.20 C HETATM 3425 C12 JPW A 313 24.235 12.214 26.668 1.00 0.05 C HETATM 3426 C13 JPW A 313 24.086 13.361 27.646 1.00 0.01 C HETATM 3427 H13 JPW A 313 25.062 13.564 28.110 1.00 0.03 H HETATM 3428 H14 JPW A 313 23.363 13.075 28.424 1.00 0.03 H HETATM 3429 H11 JPW A 313 25.136 12.394 26.064 1.00 0.05 H HETATM 3430 H12 JPW A 313 24.360 11.286 27.245 1.00 0.05 H HETATM 3431 O4 JPW A 313 22.843 10.978 25.210 1.00 -0.39 O HETATM 3432 H21 JPW A 313 21.424 12.981 25.057 1.00 0.23 H HETATM 3433 O3 JPW A 313 21.782 15.313 25.615 1.00 -0.38 O HETATM 3434 H22 JPW A 313 24.443 15.015 26.376 1.00 0.08 H HETATM 3435 H15 JPW A 313 22.300 15.611 28.307 1.00 0.19 H HETATM 3436 O2 JPW A 313 25.219 16.679 28.086 1.00 -0.38 O HETATM 3437 H19 JPW A 313 24.003 17.554 31.186 1.00 0.06 H HETATM 3438 H20 JPW A 313 25.106 18.136 29.894 1.00 0.06 H HETATM 3439 H1 JPW A 313 23.988 20.135 29.641 1.00 0.03 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 101 100 3086 CONECT 137 136 3086 CONECT 736 735 3086 CONECT 760 759 3086 CONECT 1049 1050 1054 1055 1056 CONECT 1054 1049 CONECT 1055 1049 CONECT 1056 1049 CONECT 1149 1148 3087 CONECT 1185 1184 3087 CONECT 1789 1788 3087 CONECT 1813 1812 3087 CONECT 2092 2093 2096 2097 2098 CONECT 2096 2092 CONECT 2097 2092 CONECT 2098 2092 CONECT 2156 2155 3088 CONECT 2192 2191 3088 CONECT 2789 2788 3088 CONECT 2813 2812 3088 CONECT 3086 101 137 736 760 CONECT 3087 1149 1185 1789 1813 CONECT 3088 2156 2192 2789 2813 CONECT 3398 3399 3403 3417 3439 CONECT 3399 3398 3400 3415 3416 CONECT 3400 3399 3401 3413 3414 CONECT 3401 3400 3402 3408 3412 CONECT 3402 3401 3403 3406 3407 CONECT 3403 3398 3402 3404 3405 CONECT 3404 3403 CONECT 3405 3403 CONECT 3406 3402 CONECT 3407 3402 CONECT 3408 3401 3409 3410 3411 CONECT 3409 3408 CONECT 3410 3408 CONECT 3411 3408 CONECT 3412 3401 CONECT 3413 3400 CONECT 3414 3400 CONECT 3415 3399 CONECT 3416 3399 CONECT 3417 3398 3418 3437 3438 CONECT 3418 3417 3419 CONECT 3419 3418 3420 3436 CONECT 3420 3419 3421 3435 CONECT 3421 3420 3422 3426 3434 CONECT 3422 3421 3423 3433 CONECT 3423 3422 3424 3432 CONECT 3424 3423 3425 3431 CONECT 3425 3424 3426 3429 3430 CONECT 3426 3421 3425 3427 3428 CONECT 3427 3426 CONECT 3428 3426 CONECT 3429 3425 CONECT 3430 3425 CONECT 3431 3424 CONECT 3432 3423 CONECT 3433 3422 CONECT 3434 3421 CONECT 3435 3420 CONECT 3436 3419 CONECT 3437 3417 CONECT 3438 3417 CONECT 3439 3398 MASTER 0 0 0 0 0 0 0 0 3436 3 69 27 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6r1w
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%
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%
6r0s
RCSB PDB
PDBbind
125aa, >6R0S_1|Chains... at 100%
6r0u
RCSB PDB
PDBbind
125aa, >6R0U_1|Chains... at 100%
6r0v
RCSB PDB
PDBbind
125aa, >6R0V_1|Chains... at 100%
6r11
RCSB PDB
PDBbind
125aa, >6R11_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6r1w
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
JPW
EC.Number
E.C.-.-.-.-
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Ki=5.0uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 6615-6629
Ligand Properties
Formula
C
1
3
H
2
2
N
3
O
4
Molecular Weight
284.331
Exact Mass
284.161
No. of atoms
42
No. of bonds
43
Polar Surface Area
112.14
LOGP Value
-0.24 (
Computed with XLOGP3
)
0.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
[NH3+][C@@H]1CC[C@H](CC1)COC(=O)N[C@H]1CCC(=O)NC1=O
InChI String
InChI=1S/C13H21N3O4/c14-9-3-1-8(2-4-9)7-20-13(19)15-10-5-6-11(17)16-12(10)18/h8-10H,1-7,14H2,(H,15,19)(H,16,17,18)/p+1/t8-,9-,10-/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
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com