Browse entries in the PDBbind-CN Database
HEADER 4WRI_COMPLEX COMPND 4WRI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 187 LEU MLY GLU PRO SER ALA HIS TRP CYS ARG LYS MET ARG SEQRES 2 A 187 THR VAL PHE ARG PRO TRP ASP VAL GLU GLY GLY SER MLY SEQRES 3 A 187 GLY TYR VAL THR GLU GLU VAL PHE MLY ASP GLY VAL GLN SEQRES 4 A 187 ARG ARG LEU GLU MLY PHE PRO GLU LEU ALA PRO THR MLY SEQRES 5 A 187 ASP MLY MET TYR GLU ARG SER HIS ARG HIS TRP VAL ASN SEQRES 6 A 187 HIS CYS ASN LEU GLY VAL MLY MET PRO GLU GLY TYR ARG SEQRES 7 A 187 LEU THR GLU SER GLN TYR VAL GLN ASN ALA TRP LEU LEU SEQRES 8 A 187 ILE HIS SER PRO ASP PHE GLU ALA SER LEU MLY GLU SER SEQRES 9 A 187 SER GLN THR PHE TRP GLU GLY ILE ASP ARG GLU MLY MLY SEQRES 10 A 187 GLY TYR ILE THR MLY GLU GLU ALA THR MLY LEU GLY ILE SEQRES 11 A 187 ARG VAL THR MLY ASP PRO ASN LEU MLY SER THR GLY ILE SEQRES 12 A 187 PHE GLU ALA MET ASP GLU MLY ASN THR GLY ARG ILE THR SEQRES 13 A 187 PHE GLU ASP THR LEU MLY ALA GLN LEU PHE PHE PHE THR SEQRES 14 A 187 ASP GLN ASP ASN THR THR HIS PRO PHE ASN TYR VAL ARG SEQRES 15 A 187 GLY ALA LEU VAL ASP HET MLY A 5 13 HET MLY A 29 13 HET MLY A 38 13 HET MLY A 47 13 HET MLY A 55 13 HET MLY A 57 13 HET MLY A 75 13 HET MLY A 105 13 HET MLY A 119 13 HET MLY A 120 13 HET MLY A 125 13 HET MLY A 130 13 HET MLY A 137 13 HET MLY A 142 13 HET MLY A 153 13 HET MLY A 165 13 HET OKA A 507 124 ATOM 1 N LEU A 4 37.704 52.707 31.106 1.00 41.99 N ATOM 2 CA LEU A 4 38.189 51.794 32.137 1.00 43.10 C ATOM 3 C LEU A 4 38.338 50.379 31.599 1.00 31.84 C ATOM 4 O LEU A 4 37.789 50.035 30.554 1.00 43.18 O ATOM 5 CB LEU A 4 37.247 51.787 33.348 1.00 33.27 C ATOM 6 CG LEU A 4 37.096 53.116 34.083 1.00 34.34 C ATOM 7 CD1 LEU A 4 36.100 52.988 35.217 1.00 30.70 C ATOM 8 CD2 LEU A 4 38.434 53.580 34.604 1.00 32.98 C ATOM 9 HN3 LEU A 4 36.776 52.383 30.766 1.00 0.00 H ATOM 10 HN2 LEU A 4 38.378 52.723 30.314 1.00 0.00 H ATOM 11 HN1 LEU A 4 37.614 53.663 31.506 1.00 0.00 H HETATM 12 N MLY A 5 39.086 49.565 32.332 1.00 30.12 N HETATM 13 CA MLY A 5 39.154 48.143 32.078 1.00 32.45 C HETATM 14 C MLY A 5 37.922 47.492 32.707 1.00 22.98 C HETATM 15 O MLY A 5 36.933 48.178 33.009 1.00 22.33 O HETATM 16 CB MLY A 5 40.441 47.580 32.677 1.00 36.67 C HETATM 17 CG MLY A 5 41.693 48.239 32.109 1.00 35.73 C HETATM 18 CD MLY A 5 42.891 48.139 33.049 1.00 47.92 C HETATM 19 CE MLY A 5 44.159 48.695 32.389 1.00 38.72 C HETATM 20 NZ MLY A 5 43.908 50.020 31.746 1.00 38.34 N HETATM 21 CH2 MLY A 5 45.039 50.310 30.858 1.00 36.68 C HETATM 22 CH1 MLY A 5 43.930 51.032 32.813 1.00 47.88 C HETATM 23 HZ MLY A 5 43.007 50.021 31.226 1.00 0.00 H HETATM 24 H MLY A 5 39.642 49.963 33.116 1.00 0.00 H ATOM 25 N GLU A 6 37.969 46.177 32.869 1.00 20.10 N ATOM 26 CA GLU A 6 36.862 45.438 33.475 1.00 20.50 C ATOM 27 C GLU A 6 37.233 44.940 34.854 1.00 20.67 C ATOM 28 O GLU A 6 38.355 44.517 35.092 1.00 18.02 O ATOM 29 CB GLU A 6 36.445 44.246 32.622 1.00 22.00 C ATOM 30 CG GLU A 6 35.979 44.632 31.233 1.00 17.22 C ATOM 31 CD GLU A 6 34.707 45.463 31.257 1.00 26.75 C ATOM 32 OE1 GLU A 6 34.000 45.462 32.284 1.00 20.83 O ATOM 33 OE2 GLU A 6 34.410 46.129 30.251 1.00 23.05 O ATOM 34 H GLU A 6 38.814 45.658 32.557 1.00 0.00 H ATOM 35 N PRO A 7 36.273 44.976 35.777 1.00 16.07 N ATOM 36 CA PRO A 7 36.560 44.412 37.097 1.00 15.15 C ATOM 37 C PRO A 7 36.703 42.892 37.038 1.00 17.91 C ATOM 38 O PRO A 7 36.157 42.236 36.145 1.00 17.44 O ATOM 39 CB PRO A 7 35.316 44.785 37.903 1.00 17.68 C ATOM 40 CG PRO A 7 34.225 44.942 36.886 1.00 18.20 C ATOM 41 CD PRO A 7 34.897 45.482 35.653 1.00 18.38 C ATOM 42 N SER A 8 37.441 42.327 37.983 1.00 15.90 N ATOM 43 CA SER A 8 37.507 40.892 38.119 1.00 14.14 C ATOM 44 C SER A 8 36.191 40.329 38.606 1.00 14.65 C ATOM 45 O SER A 8 35.405 41.030 39.267 1.00 14.68 O ATOM 46 CB SER A 8 38.616 40.493 39.099 1.00 14.08 C ATOM 47 OG SER A 8 38.247 40.852 40.439 1.00 13.73 O ATOM 48 HG SER A 8 38.971 40.589 41.061 1.00 0.00 H ATOM 49 H SER A 8 37.982 42.928 38.637 1.00 0.00 H ATOM 50 N ALA A 9 35.953 39.057 38.331 1.00 15.44 N ATOM 51 CA ALA A 9 34.769 38.376 38.816 1.00 14.73 C ATOM 52 C ALA A 9 34.720 38.429 40.340 1.00 15.41 C ATOM 53 O ALA A 9 33.640 38.546 40.932 1.00 14.85 O ATOM 54 CB ALA A 9 34.747 36.927 38.336 1.00 17.25 C ATOM 55 H ALA A 9 36.636 38.530 37.750 1.00 0.00 H ATOM 56 N HIS A 10 35.885 38.333 40.964 1.00 15.09 N ATOM 57 CA HIS A 10 35.942 38.347 42.415 1.00 13.27 C ATOM 58 C HIS A 10 35.516 39.705 42.953 1.00 12.33 C ATOM 59 O HIS A 10 34.771 39.776 43.932 1.00 12.88 O ATOM 60 CB HIS A 10 37.351 38.023 42.902 1.00 13.40 C ATOM 61 CG HIS A 10 37.480 38.082 44.390 1.00 11.72 C ATOM 62 ND1 HIS A 10 36.826 37.203 45.222 1.00 14.26 N ATOM 63 CD2 HIS A 10 38.164 38.933 45.189 1.00 15.22 C ATOM 64 CE1 HIS A 10 37.110 37.506 46.476 1.00 13.03 C ATOM 65 NE2 HIS A 10 37.926 38.541 46.482 1.00 13.44 N ATOM 66 H HIS A 10 36.762 38.247 40.412 1.00 0.00 H ATOM 67 N TRP A 11 35.985 40.777 42.342 1.00 12.53 N ATOM 68 CA TRP A 11 35.572 42.102 42.785 1.00 13.40 C ATOM 69 C TRP A 11 34.073 42.277 42.610 1.00 13.98 C ATOM 70 O TRP A 11 33.396 42.844 43.487 1.00 13.11 O ATOM 71 CB TRP A 11 36.361 43.183 42.078 1.00 14.02 C ATOM 72 CG TRP A 11 36.020 44.573 42.507 1.00 13.62 C ATOM 73 CD1 TRP A 11 36.629 45.299 43.495 1.00 13.44 C ATOM 74 CD2 TRP A 11 35.011 45.423 41.949 1.00 13.35 C ATOM 75 NE1 TRP A 11 36.047 46.539 43.606 1.00 12.24 N ATOM 76 CE2 TRP A 11 35.047 46.636 42.668 1.00 12.12 C ATOM 77 CE3 TRP A 11 34.049 45.261 40.951 1.00 13.23 C ATOM 78 CZ2 TRP A 11 34.188 47.699 42.381 1.00 12.47 C ATOM 79 CZ3 TRP A 11 33.199 46.307 40.684 1.00 12.51 C ATOM 80 CH2 TRP A 11 33.268 47.503 41.387 1.00 12.57 C ATOM 81 HE1 TRP A 11 36.317 47.279 44.285 1.00 0.00 H ATOM 82 H TRP A 11 36.647 40.676 41.547 1.00 0.00 H ATOM 83 N CYS A 12 33.508 41.796 41.511 1.00 12.53 N ATOM 84 CA CYS A 12 32.063 41.922 41.362 1.00 13.71 C ATOM 85 C CYS A 12 31.297 41.184 42.438 1.00 14.84 C ATOM 86 O CYS A 12 30.245 41.651 42.891 1.00 11.64 O ATOM 87 CB CYS A 12 31.611 41.454 39.983 1.00 15.96 C ATOM 88 SG CYS A 12 32.234 42.518 38.648 1.00 14.30 S ATOM 89 H CYS A 12 34.082 41.340 40.773 1.00 0.00 H ATOM 90 N ARG A 13 31.810 40.029 42.851 1.00 12.66 N ATOM 91 CA ARG A 13 31.232 39.279 43.938 1.00 11.51 C ATOM 92 C ARG A 13 31.294 40.078 45.228 1.00 9.86 C ATOM 93 O ARG A 13 30.336 40.077 46.001 1.00 11.00 O ATOM 94 CB ARG A 13 31.992 37.969 44.124 1.00 13.58 C ATOM 95 CG ARG A 13 31.359 37.032 45.126 1.00 14.95 C ATOM 96 CD ARG A 13 32.157 35.745 45.228 1.00 19.05 C ATOM 97 NE ARG A 13 31.581 34.850 46.210 1.00 18.32 N ATOM 98 CZ ARG A 13 32.238 33.838 46.773 1.00 18.31 C ATOM 99 NH1 ARG A 13 33.493 33.599 46.428 1.00 23.96 N ATOM 100 NH2 ARG A 13 31.646 33.076 47.678 1.00 22.03 N ATOM 101 HE ARG A 13 30.593 35.008 46.493 1.00 0.00 H ATOM 102 HH12 ARG A 13 34.011 32.810 46.865 1.00 0.00 H ATOM 103 HH11 ARG A 13 33.961 34.200 45.720 1.00 0.00 H ATOM 104 HH22 ARG A 13 32.165 32.287 48.114 1.00 0.00 H ATOM 105 HH21 ARG A 13 30.661 33.266 47.954 1.00 0.00 H ATOM 106 H ARG A 13 32.655 39.655 42.375 1.00 0.00 H ATOM 107 N LYS A 14 32.417 40.739 45.472 1.00 11.57 N ATOM 108 CA LYS A 14 32.487 41.605 46.643 1.00 11.90 C ATOM 109 C LYS A 14 31.414 42.715 46.559 1.00 11.22 C ATOM 110 O LYS A 14 30.750 43.015 47.579 1.00 10.47 O ATOM 111 CB LYS A 14 33.890 42.190 46.818 1.00 11.39 C ATOM 112 CG LYS A 14 34.937 41.173 47.258 1.00 11.49 C ATOM 113 CD LYS A 14 36.281 41.831 47.562 1.00 11.35 C ATOM 114 CE LYS A 14 36.939 42.480 46.341 1.00 11.64 C ATOM 115 NZ LYS A 14 38.252 43.113 46.712 1.00 11.38 N ATOM 116 HZ1 LYS A 14 38.091 43.844 47.434 1.00 0.00 H ATOM 117 HZ2 LYS A 14 38.892 42.385 47.090 1.00 0.00 H ATOM 118 HZ3 LYS A 14 38.678 43.546 45.868 1.00 0.00 H ATOM 119 H LYS A 14 33.236 40.641 44.838 1.00 0.00 H ATOM 120 N MET A 15 31.205 43.311 45.387 1.00 11.98 N ATOM 121 CA MET A 15 30.211 44.378 45.294 1.00 10.76 C ATOM 122 C MET A 15 28.787 43.852 45.438 1.00 10.15 C ATOM 123 O MET A 15 27.929 44.532 46.021 1.00 10.92 O ATOM 124 CB MET A 15 30.387 45.209 44.027 1.00 10.40 C ATOM 125 CG MET A 15 31.691 45.963 43.997 1.00 11.41 C ATOM 126 SD MET A 15 32.002 47.074 45.412 1.00 11.92 S ATOM 127 CE MET A 15 33.117 46.114 46.450 1.00 11.75 C ATOM 128 H MET A 15 31.744 43.020 44.546 1.00 0.00 H ATOM 129 N ARG A 16 28.512 42.647 44.950 1.00 10.07 N ATOM 130 CA ARG A 16 27.220 42.020 45.217 1.00 12.38 C ATOM 131 C ARG A 16 27.044 41.813 46.716 1.00 11.01 C ATOM 132 O ARG A 16 25.925 41.859 47.234 1.00 11.83 O ATOM 133 CB ARG A 16 27.079 40.682 44.481 1.00 12.56 C ATOM 134 CG ARG A 16 27.007 40.835 42.962 1.00 12.21 C ATOM 135 CD ARG A 16 26.545 39.523 42.318 1.00 13.57 C ATOM 136 NE ARG A 16 27.551 38.462 42.390 1.00 17.06 N ATOM 137 CZ ARG A 16 28.593 38.338 41.560 1.00 14.95 C ATOM 138 NH1 ARG A 16 28.819 39.225 40.595 1.00 17.36 N ATOM 139 NH2 ARG A 16 29.416 37.306 41.728 1.00 18.79 N ATOM 140 HE ARG A 16 27.448 37.752 43.143 1.00 0.00 H ATOM 141 HH12 ARG A 16 29.636 39.108 39.962 1.00 0.00 H ATOM 142 HH11 ARG A 16 28.179 40.036 40.474 1.00 0.00 H ATOM 143 HH22 ARG A 16 30.234 37.185 41.097 1.00 0.00 H ATOM 144 HH21 ARG A 16 29.241 36.620 42.490 1.00 0.00 H ATOM 145 H ARG A 16 29.220 42.148 44.375 1.00 0.00 H ATOM 146 N THR A 17 28.147 41.589 47.426 1.00 10.40 N ATOM 147 CA THR A 17 28.089 41.386 48.876 1.00 11.51 C ATOM 148 C THR A 17 27.728 42.701 49.588 1.00 10.38 C ATOM 149 O THR A 17 27.045 42.697 50.596 1.00 10.07 O ATOM 150 CB THR A 17 29.422 40.797 49.382 1.00 11.20 C ATOM 151 OG1 THR A 17 29.639 39.527 48.731 1.00 11.96 O ATOM 152 CG2 THR A 17 29.425 40.591 50.893 1.00 12.31 C ATOM 153 HG1 THR A 17 29.679 39.662 47.751 1.00 0.00 H ATOM 154 H THR A 17 29.067 41.557 46.943 1.00 0.00 H ATOM 155 N VAL A 18 28.189 43.822 49.052 1.00 9.44 N ATOM 156 CA VAL A 18 27.770 45.126 49.554 1.00 11.23 C ATOM 157 C VAL A 18 26.279 45.351 49.323 1.00 9.86 C ATOM 158 O VAL A 18 25.570 45.834 50.203 1.00 10.81 O ATOM 159 CB VAL A 18 28.536 46.244 48.839 1.00 9.53 C ATOM 160 CG1 VAL A 18 28.024 47.616 49.272 1.00 11.12 C ATOM 161 CG2 VAL A 18 30.041 46.129 49.098 1.00 11.94 C ATOM 162 H VAL A 18 28.861 43.771 48.260 1.00 0.00 H ATOM 163 N PHE A 19 25.798 45.025 48.127 1.00 9.98 N ATOM 164 CA PHE A 19 24.440 45.371 47.712 1.00 9.71 C ATOM 165 C PHE A 19 23.391 44.479 48.374 1.00 11.79 C ATOM 166 O PHE A 19 22.264 44.939 48.661 1.00 11.31 O ATOM 167 CB PHE A 19 24.339 45.265 46.186 1.00 10.68 C ATOM 168 CG PHE A 19 23.044 45.783 45.611 1.00 8.61 C ATOM 169 CD1 PHE A 19 22.891 47.127 45.288 1.00 9.59 C ATOM 170 CD2 PHE A 19 21.979 44.923 45.385 1.00 9.94 C ATOM 171 CE1 PHE A 19 21.705 47.605 44.709 1.00 10.98 C ATOM 172 CE2 PHE A 19 20.775 45.404 44.806 1.00 12.22 C ATOM 173 CZ PHE A 19 20.646 46.735 44.478 1.00 10.48 C ATOM 174 H PHE A 19 26.409 44.506 47.464 1.00 0.00 H ATOM 175 N ARG A 20 23.737 43.208 48.596 1.00 12.14 N ATOM 176 CA ARG A 20 22.742 42.227 49.047 1.00 12.01 C ATOM 177 C ARG A 20 21.923 42.639 50.284 1.00 12.61 C ATOM 178 O ARG A 20 20.699 42.539 50.234 1.00 12.18 O ATOM 179 CB ARG A 20 23.364 40.818 49.202 1.00 13.99 C ATOM 180 CG ARG A 20 22.350 39.718 49.614 1.00 16.53 C ATOM 181 CD ARG A 20 21.305 39.436 48.535 1.00 15.67 C ATOM 182 NE ARG A 20 21.863 39.444 47.176 1.00 16.40 N ATOM 183 CZ ARG A 20 22.536 38.445 46.605 1.00 17.12 C ATOM 184 NH1 ARG A 20 22.745 37.307 47.263 1.00 20.73 N ATOM 185 NH2 ARG A 20 23.011 38.584 45.366 1.00 19.72 N ATOM 186 HE ARG A 20 21.720 40.305 46.610 1.00 0.00 H ATOM 187 HH12 ARG A 20 23.271 36.533 46.809 1.00 0.00 H ATOM 188 HH11 ARG A 20 22.382 37.192 48.231 1.00 0.00 H ATOM 189 HH22 ARG A 20 23.536 37.805 44.920 1.00 0.00 H ATOM 190 HH21 ARG A 20 22.856 39.471 44.846 1.00 0.00 H ATOM 191 H ARG A 20 24.722 42.910 48.448 1.00 0.00 H ATOM 192 N PRO A 21 22.577 43.125 51.351 1.00 12.27 N ATOM 193 CA PRO A 21 21.763 43.493 52.523 1.00 12.82 C ATOM 194 C PRO A 21 20.782 44.632 52.213 1.00 13.89 C ATOM 195 O PRO A 21 19.673 44.655 52.778 1.00 13.53 O ATOM 196 CB PRO A 21 22.802 43.918 53.562 1.00 12.66 C ATOM 197 CG PRO A 21 24.086 43.260 53.124 1.00 14.04 C ATOM 198 CD PRO A 21 24.026 43.217 51.617 1.00 12.39 C ATOM 199 N TRP A 22 21.160 45.553 51.325 1.00 11.15 N ATOM 200 CA TRP A 22 20.255 46.625 50.935 1.00 11.13 C ATOM 201 C TRP A 22 19.086 46.060 50.146 1.00 11.98 C ATOM 202 O TRP A 22 17.943 46.447 50.345 1.00 12.72 O ATOM 203 CB TRP A 22 20.973 47.663 50.087 1.00 11.33 C ATOM 204 CG TRP A 22 22.196 48.265 50.722 1.00 10.11 C ATOM 205 CD1 TRP A 22 22.484 48.375 52.064 1.00 11.65 C ATOM 206 CD2 TRP A 22 23.282 48.876 50.027 1.00 9.86 C ATOM 207 NE1 TRP A 22 23.691 49.016 52.228 1.00 12.06 N ATOM 208 CE2 TRP A 22 24.214 49.309 50.994 1.00 11.34 C ATOM 209 CE3 TRP A 22 23.579 49.063 48.672 1.00 11.17 C ATOM 210 CZ2 TRP A 22 25.411 49.949 50.652 1.00 11.81 C ATOM 211 CZ3 TRP A 22 24.772 49.712 48.343 1.00 11.78 C ATOM 212 CH2 TRP A 22 25.672 50.125 49.318 1.00 11.93 C ATOM 213 HE1 TRP A 22 24.135 49.242 53.141 1.00 0.00 H ATOM 214 H TRP A 22 22.111 45.505 50.907 1.00 0.00 H ATOM 215 N ASP A 23 19.371 45.144 49.219 1.00 10.86 N ATOM 216 CA ASP A 23 18.318 44.463 48.471 1.00 11.60 C ATOM 217 C ASP A 23 17.349 43.807 49.466 1.00 12.53 C ATOM 218 O ASP A 23 16.129 43.960 49.337 1.00 13.39 O ATOM 219 CB ASP A 23 18.966 43.434 47.538 1.00 12.58 C ATOM 220 CG ASP A 23 18.027 42.877 46.484 1.00 16.06 C ATOM 221 OD1 ASP A 23 16.814 43.183 46.466 1.00 16.32 O ATOM 222 OD2 ASP A 23 18.545 42.111 45.637 1.00 19.10 O ATOM 223 H ASP A 23 20.365 44.910 49.025 1.00 0.00 H ATOM 224 N VAL A 24 17.883 43.068 50.432 1.00 13.00 N ATOM 225 CA VAL A 24 17.025 42.405 51.415 1.00 15.25 C ATOM 226 C VAL A 24 16.172 43.417 52.197 1.00 15.99 C ATOM 227 O VAL A 24 14.959 43.208 52.348 1.00 15.96 O ATOM 228 CB VAL A 24 17.848 41.485 52.348 1.00 14.27 C ATOM 229 CG1 VAL A 24 16.976 40.930 53.468 1.00 17.89 C ATOM 230 CG2 VAL A 24 18.446 40.323 51.536 1.00 18.60 C ATOM 231 H VAL A 24 18.916 42.960 50.490 1.00 0.00 H ATOM 232 N GLU A 25 16.779 44.520 52.627 1.00 13.19 N ATOM 233 CA GLU A 25 16.040 45.595 53.319 1.00 16.03 C ATOM 234 C GLU A 25 14.853 46.092 52.500 1.00 17.64 C ATOM 235 O GLU A 25 13.783 46.392 53.041 1.00 20.03 O ATOM 236 CB GLU A 25 16.930 46.806 53.597 1.00 19.72 C ATOM 237 CG GLU A 25 17.865 46.709 54.773 1.00 22.44 C ATOM 238 CD GLU A 25 18.667 47.990 54.914 1.00 24.80 C ATOM 239 OE1 GLU A 25 18.083 49.024 55.302 1.00 20.39 O ATOM 240 OE2 GLU A 25 19.877 47.982 54.605 1.00 23.26 O ATOM 241 H GLU A 25 17.802 44.628 52.472 1.00 0.00 H ATOM 242 N GLY A 26 15.054 46.199 51.196 1.00 15.03 N ATOM 243 CA GLY A 26 14.040 46.712 50.298 1.00 14.62 C ATOM 244 C GLY A 26 13.013 45.703 49.853 1.00 16.61 C ATOM 245 O GLY A 26 12.168 46.012 49.002 1.00 19.27 O ATOM 246 H GLY A 26 15.971 45.905 50.803 1.00 0.00 H ATOM 247 N GLY A 27 13.088 44.496 50.391 1.00 16.19 N ATOM 248 CA GLY A 27 12.122 43.465 50.054 1.00 17.97 C ATOM 249 C GLY A 27 12.589 42.402 49.081 1.00 18.77 C ATOM 250 O GLY A 27 11.772 41.636 48.564 1.00 20.44 O ATOM 251 H GLY A 27 13.850 44.283 51.065 1.00 0.00 H ATOM 252 N SER A 28 13.898 42.346 48.837 1.00 16.28 N ATOM 253 CA SER A 28 14.478 41.337 47.951 1.00 16.64 C ATOM 254 C SER A 28 13.900 41.412 46.546 1.00 19.21 C ATOM 255 O SER A 28 13.601 40.388 45.931 1.00 19.21 O ATOM 256 CB SER A 28 14.307 39.930 48.541 1.00 18.41 C ATOM 257 OG SER A 28 15.023 39.819 49.757 1.00 19.51 O ATOM 258 HG SER A 28 14.679 40.486 50.403 1.00 0.00 H ATOM 259 H SER A 28 14.526 43.040 49.290 1.00 0.00 H HETATM 260 N MLY A 29 13.772 42.629 46.031 1.00 16.60 N HETATM 261 CA MLY A 29 13.199 42.843 44.715 1.00 17.43 C HETATM 262 C MLY A 29 14.241 42.825 43.596 1.00 17.80 C HETATM 263 O MLY A 29 13.868 42.829 42.421 1.00 17.20 O HETATM 264 CB MLY A 29 12.448 44.176 44.689 1.00 17.03 C HETATM 265 CG MLY A 29 11.369 44.230 45.760 1.00 21.38 C HETATM 266 CD MLY A 29 10.464 45.431 45.652 1.00 23.47 C HETATM 267 CE MLY A 29 9.424 45.383 46.780 1.00 27.30 C HETATM 268 NZ MLY A 29 8.541 46.581 46.801 1.00 32.84 N HETATM 269 CH2 MLY A 29 9.337 47.690 47.343 1.00 37.01 C HETATM 270 CH1 MLY A 29 7.486 46.297 47.785 1.00 37.25 C HETATM 271 HZ MLY A 29 8.157 46.804 45.860 1.00 0.00 H HETATM 272 H MLY A 29 14.090 43.450 46.585 1.00 0.00 H ATOM 273 N GLY A 30 15.525 42.830 43.958 1.00 15.33 N ATOM 274 CA GLY A 30 16.610 42.886 42.978 1.00 13.47 C ATOM 275 C GLY A 30 17.061 44.306 42.670 1.00 14.13 C ATOM 276 O GLY A 30 18.001 44.532 41.892 1.00 14.49 O ATOM 277 H GLY A 30 15.763 42.793 44.970 1.00 0.00 H ATOM 278 N TYR A 31 16.372 45.279 43.252 1.00 12.20 N ATOM 279 CA TYR A 31 16.711 46.678 43.113 1.00 12.57 C ATOM 280 C TYR A 31 16.441 47.404 44.420 1.00 10.73 C ATOM 281 O TYR A 31 15.681 46.921 45.287 1.00 13.06 O ATOM 282 CB TYR A 31 15.901 47.317 41.966 1.00 13.02 C ATOM 283 CG TYR A 31 14.419 47.430 42.225 1.00 13.87 C ATOM 284 CD1 TYR A 31 13.904 48.477 42.976 1.00 14.52 C ATOM 285 CD2 TYR A 31 13.530 46.492 41.718 1.00 14.20 C ATOM 286 CE1 TYR A 31 12.548 48.587 43.225 1.00 18.97 C ATOM 287 CE2 TYR A 31 12.171 46.603 41.964 1.00 16.95 C ATOM 288 CZ TYR A 31 11.694 47.644 42.727 1.00 17.56 C ATOM 289 OH TYR A 31 10.335 47.755 42.971 1.00 19.11 O ATOM 290 HH TYR A 31 10.166 48.553 43.532 1.00 0.00 H ATOM 291 H TYR A 31 15.550 45.024 43.835 1.00 0.00 H ATOM 292 N VAL A 32 17.051 48.574 44.545 1.00 11.28 N ATOM 293 CA VAL A 32 16.822 49.462 45.689 1.00 13.20 C ATOM 294 C VAL A 32 16.445 50.857 45.181 1.00 13.55 C ATOM 295 O VAL A 32 16.626 51.185 43.996 1.00 13.92 O ATOM 296 CB VAL A 32 18.040 49.550 46.634 1.00 12.44 C ATOM 297 CG1 VAL A 32 18.323 48.180 47.249 1.00 12.35 C ATOM 298 CG2 VAL A 32 19.269 50.098 45.903 1.00 13.34 C ATOM 299 H VAL A 32 17.717 48.873 43.804 1.00 0.00 H ATOM 300 N THR A 33 15.863 51.654 46.072 1.00 13.30 N ATOM 301 CA THR A 33 15.426 53.008 45.750 1.00 12.55 C ATOM 302 C THR A 33 15.878 53.931 46.867 1.00 13.77 C ATOM 303 O THR A 33 16.327 53.459 47.920 1.00 14.46 O ATOM 304 CB THR A 33 13.894 53.082 45.668 1.00 16.31 C ATOM 305 OG1 THR A 33 13.353 52.795 46.965 1.00 17.27 O ATOM 306 CG2 THR A 33 13.326 52.076 44.672 1.00 19.21 C ATOM 307 HG1 THR A 33 12.365 52.839 46.926 1.00 0.00 H ATOM 308 H THR A 33 15.713 51.298 47.038 1.00 0.00 H ATOM 309 N GLU A 34 15.740 55.234 46.656 1.00 13.76 N ATOM 310 CA GLU A 34 16.042 56.236 47.681 1.00 13.64 C ATOM 311 C GLU A 34 15.240 55.944 48.935 1.00 14.66 C ATOM 312 O GLU A 34 15.745 56.085 50.055 1.00 14.23 O ATOM 313 CB GLU A 34 15.695 57.637 47.173 1.00 16.75 C ATOM 314 CG GLU A 34 16.066 58.748 48.143 1.00 19.79 C ATOM 315 CD GLU A 34 15.511 60.097 47.728 1.00 39.53 C ATOM 316 OE1 GLU A 34 15.157 60.250 46.543 1.00 37.03 O ATOM 317 OE2 GLU A 34 15.420 61.000 48.588 1.00 49.93 O ATOM 318 H GLU A 34 15.404 55.556 45.726 1.00 0.00 H ATOM 319 N GLU A 35 14.004 55.494 48.763 1.00 13.72 N ATOM 320 CA GLU A 35 13.144 55.222 49.911 1.00 16.40 C ATOM 321 C GLU A 35 13.651 54.069 50.771 1.00 16.99 C ATOM 322 O GLU A 35 13.471 54.081 51.987 1.00 16.90 O ATOM 323 CB GLU A 35 11.703 54.950 49.471 1.00 21.32 C ATOM 324 CG GLU A 35 10.744 54.788 50.642 1.00 40.95 C ATOM 325 CD GLU A 35 9.318 54.524 50.205 1.00 59.65 C ATOM 326 OE1 GLU A 35 9.078 54.440 48.982 1.00 59.02 O ATOM 327 OE2 GLU A 35 8.440 54.397 51.087 1.00 59.31 O ATOM 328 H GLU A 35 13.644 55.333 47.801 1.00 0.00 H ATOM 329 N VAL A 36 14.298 53.079 50.161 1.00 15.80 N ATOM 330 CA VAL A 36 14.851 51.968 50.937 1.00 14.71 C ATOM 331 C VAL A 36 15.862 52.492 51.939 1.00 14.45 C ATOM 332 O VAL A 36 15.874 52.086 53.119 1.00 14.89 O ATOM 333 CB VAL A 36 15.563 50.929 50.036 1.00 15.72 C ATOM 334 CG1 VAL A 36 16.277 49.900 50.907 1.00 16.92 C ATOM 335 CG2 VAL A 36 14.567 50.250 49.117 1.00 17.20 C ATOM 336 H VAL A 36 14.411 53.095 49.127 1.00 0.00 H ATOM 337 N PHE A 37 16.701 53.418 51.494 1.00 12.74 N ATOM 338 CA PHE A 37 17.706 53.966 52.389 1.00 14.50 C ATOM 339 C PHE A 37 17.118 54.910 53.423 1.00 14.45 C ATOM 340 O PHE A 37 17.581 54.931 54.560 1.00 14.95 O ATOM 341 CB PHE A 37 18.844 54.588 51.586 1.00 15.59 C ATOM 342 CG PHE A 37 19.594 53.574 50.776 1.00 12.64 C ATOM 343 CD1 PHE A 37 20.347 52.595 51.411 1.00 14.71 C ATOM 344 CD2 PHE A 37 19.524 53.579 49.394 1.00 12.33 C ATOM 345 CE1 PHE A 37 21.023 51.626 50.668 1.00 13.00 C ATOM 346 CE2 PHE A 37 20.192 52.598 48.645 1.00 11.89 C ATOM 347 CZ PHE A 37 20.948 51.642 49.292 1.00 12.07 C ATOM 348 H PHE A 37 16.640 53.750 50.510 1.00 0.00 H HETATM 349 N MLY A 38 16.092 55.664 53.042 1.00 15.35 N HETATM 350 CA MLY A 38 15.427 56.545 53.995 1.00 15.44 C HETATM 351 C MLY A 38 14.749 55.728 55.086 1.00 17.14 C HETATM 352 O MLY A 38 14.896 56.039 56.278 1.00 15.43 O HETATM 353 CB MLY A 38 14.414 57.441 53.283 1.00 15.09 C HETATM 354 CG MLY A 38 13.771 58.427 54.232 1.00 22.30 C HETATM 355 CD MLY A 38 13.239 59.645 53.525 1.00 33.17 C HETATM 356 CE MLY A 38 12.766 60.654 54.554 1.00 42.26 C HETATM 357 NZ MLY A 38 12.358 61.931 53.933 1.00 49.75 N HETATM 358 CH2 MLY A 38 12.000 62.811 55.051 1.00 51.32 C HETATM 359 CH1 MLY A 38 11.133 61.646 53.175 1.00 39.58 C HETATM 360 HZ MLY A 38 13.090 62.350 53.325 1.00 0.00 H HETATM 361 H MLY A 38 15.761 55.625 52.057 1.00 0.00 H ATOM 362 N ASP A 39 14.054 54.659 54.694 1.00 15.20 N ATOM 363 CA ASP A 39 13.432 53.769 55.664 1.00 16.84 C ATOM 364 C ASP A 39 14.492 53.068 56.503 1.00 17.67 C ATOM 365 O ASP A 39 14.235 52.713 57.659 1.00 19.91 O ATOM 366 CB ASP A 39 12.521 52.733 54.997 1.00 18.34 C ATOM 367 CG ASP A 39 11.347 53.360 54.280 1.00 25.32 C ATOM 368 OD1 ASP A 39 11.012 54.525 54.576 1.00 28.25 O ATOM 369 OD2 ASP A 39 10.762 52.683 53.414 1.00 28.62 O ATOM 370 H ASP A 39 13.955 54.458 53.678 1.00 0.00 H ATOM 371 N GLY A 40 15.690 52.898 55.950 1.00 15.98 N ATOM 372 CA GLY A 40 16.741 52.169 56.647 1.00 16.90 C ATOM 373 C GLY A 40 17.345 52.941 57.806 1.00 15.17 C ATOM 374 O GLY A 40 18.107 52.397 58.577 1.00 15.03 O ATOM 375 H GLY A 40 15.879 53.291 55.006 1.00 0.00 H ATOM 376 N VAL A 41 17.015 54.223 57.920 1.00 13.95 N ATOM 377 CA VAL A 41 17.540 55.043 59.009 1.00 15.12 C ATOM 378 C VAL A 41 17.058 54.528 60.353 1.00 14.72 C ATOM 379 O VAL A 41 17.858 54.313 61.258 1.00 13.66 O ATOM 380 CB VAL A 41 17.133 56.515 58.848 1.00 15.13 C ATOM 381 CG1 VAL A 41 17.283 57.245 60.175 1.00 15.82 C ATOM 382 CG2 VAL A 41 17.960 57.156 57.769 1.00 16.81 C ATOM 383 H VAL A 41 16.372 54.650 57.222 1.00 0.00 H ATOM 384 N GLN A 42 15.753 54.298 60.466 1.00 16.68 N ATOM 385 CA GLN A 42 15.185 53.763 61.701 1.00 18.34 C ATOM 386 C GLN A 42 15.771 52.388 62.053 1.00 18.33 C ATOM 387 O GLN A 42 16.115 52.120 63.209 1.00 18.78 O ATOM 388 CB GLN A 42 13.659 53.682 61.588 1.00 24.22 C ATOM 389 CG GLN A 42 12.977 53.118 62.829 1.00 34.34 C ATOM 390 CD GLN A 42 11.469 52.991 62.664 1.00 58.63 C ATOM 391 OE1 GLN A 42 10.916 53.316 61.612 1.00 64.92 O ATOM 392 NE2 GLN A 42 10.799 52.516 63.706 1.00 58.72 N ATOM 393 HE22 GLN A 42 11.307 52.254 64.575 1.00 0.00 H ATOM 394 HE21 GLN A 42 9.766 52.406 63.654 1.00 0.00 H ATOM 395 H GLN A 42 15.126 54.502 59.662 1.00 0.00 H ATOM 396 N ARG A 43 15.899 51.525 61.045 1.00 19.01 N ATOM 397 CA ARG A 43 16.507 50.209 61.231 1.00 19.94 C ATOM 398 C ARG A 43 17.924 50.305 61.821 1.00 15.90 C ATOM 399 O ARG A 43 18.278 49.565 62.725 1.00 16.40 O ATOM 400 CB ARG A 43 16.528 49.439 59.892 1.00 21.49 C ATOM 401 CG ARG A 43 15.138 49.093 59.352 1.00 27.09 C ATOM 402 CD ARG A 43 15.184 48.102 58.172 1.00 27.91 C ATOM 403 NE ARG A 43 15.631 48.722 56.922 1.00 26.51 N ATOM 404 CZ ARG A 43 14.821 49.198 55.980 1.00 23.93 C ATOM 405 NH1 ARG A 43 13.504 49.132 56.139 1.00 33.83 N ATOM 406 NH2 ARG A 43 15.324 49.753 54.877 1.00 21.53 N ATOM 407 HE ARG A 43 16.656 48.795 56.759 1.00 0.00 H ATOM 408 HH12 ARG A 43 12.872 49.504 55.402 1.00 0.00 H ATOM 409 HH11 ARG A 43 13.105 48.708 57.001 1.00 0.00 H ATOM 410 HH22 ARG A 43 14.686 50.123 54.144 1.00 0.00 H ATOM 411 HH21 ARG A 43 16.354 49.815 54.750 1.00 0.00 H ATOM 412 H ARG A 43 15.557 51.795 60.101 1.00 0.00 H ATOM 413 N ARG A 44 18.716 51.235 61.301 1.00 14.67 N ATOM 414 CA ARG A 44 20.085 51.449 61.757 1.00 13.76 C ATOM 415 C ARG A 44 20.149 52.004 63.177 1.00 13.10 C ATOM 416 O ARG A 44 21.046 51.647 63.945 1.00 13.98 O ATOM 417 CB ARG A 44 20.843 52.344 60.773 1.00 12.77 C ATOM 418 CG ARG A 44 21.203 51.549 59.524 1.00 13.13 C ATOM 419 CD ARG A 44 21.529 52.390 58.308 1.00 11.71 C ATOM 420 NE ARG A 44 21.980 51.487 57.227 1.00 14.07 N ATOM 421 CZ ARG A 44 21.165 50.739 56.502 1.00 16.34 C ATOM 422 NH1 ARG A 44 19.855 50.783 56.695 1.00 16.93 N ATOM 423 NH2 ARG A 44 21.659 49.924 55.569 1.00 16.31 N ATOM 424 HE ARG A 44 22.999 51.437 57.025 1.00 0.00 H ATOM 425 HH12 ARG A 44 19.224 50.190 56.119 1.00 0.00 H ATOM 426 HH11 ARG A 44 19.457 51.410 57.423 1.00 0.00 H ATOM 427 HH22 ARG A 44 21.017 49.336 54.999 1.00 0.00 H ATOM 428 HH21 ARG A 44 22.686 49.876 55.411 1.00 0.00 H ATOM 429 H ARG A 44 18.345 51.836 60.537 1.00 0.00 H ATOM 430 N LEU A 45 19.220 52.888 63.524 1.00 12.57 N ATOM 431 CA LEU A 45 19.168 53.403 64.899 1.00 13.45 C ATOM 432 C LEU A 45 18.804 52.332 65.914 1.00 14.54 C ATOM 433 O LEU A 45 19.309 52.344 67.045 1.00 16.50 O ATOM 434 CB LEU A 45 18.199 54.579 64.963 1.00 15.37 C ATOM 435 CG LEU A 45 18.755 55.822 64.276 1.00 19.18 C ATOM 436 CD1 LEU A 45 17.672 56.904 64.114 1.00 18.82 C ATOM 437 CD2 LEU A 45 19.980 56.379 64.991 1.00 18.73 C ATOM 438 H LEU A 45 18.528 53.216 62.821 1.00 0.00 H ATOM 439 N GLU A 46 17.951 51.398 65.520 1.00 16.85 N ATOM 440 CA GLU A 46 17.635 50.261 66.372 1.00 17.92 C ATOM 441 C GLU A 46 18.789 49.277 66.514 1.00 18.02 C ATOM 442 O GLU A 46 19.039 48.765 67.604 1.00 20.76 O ATOM 443 CB GLU A 46 16.393 49.551 65.872 1.00 19.16 C ATOM 444 CG GLU A 46 15.197 50.473 65.788 1.00 26.44 C ATOM 445 CD GLU A 46 14.010 49.839 65.104 1.00 44.13 C ATOM 446 OE1 GLU A 46 14.216 48.971 64.225 1.00 45.73 O ATOM 447 OE2 GLU A 46 12.871 50.215 65.447 1.00 47.55 O ATOM 448 H GLU A 46 17.500 51.479 64.586 1.00 0.00 H HETATM 449 N MLY A 47 19.484 49.001 65.416 1.00 17.28 N HETATM 450 CA MLY A 47 20.608 48.069 65.428 1.00 17.47 C HETATM 451 C MLY A 47 21.872 48.645 66.063 1.00 17.07 C HETATM 452 O MLY A 47 22.662 47.934 66.693 1.00 17.18 O HETATM 453 CB MLY A 47 20.932 47.637 63.988 1.00 20.23 C HETATM 454 CG MLY A 47 19.921 46.718 63.350 1.00 31.25 C HETATM 455 CD MLY A 47 20.543 46.023 62.136 1.00 28.60 C HETATM 456 CE MLY A 47 20.874 47.010 61.015 1.00 44.15 C HETATM 457 NZ MLY A 47 19.888 46.983 59.882 1.00 48.73 N HETATM 458 CH2 MLY A 47 19.737 45.584 59.458 1.00 40.19 C HETATM 459 CH1 MLY A 47 20.526 47.678 58.756 1.00 34.39 C HETATM 460 HZ MLY A 47 18.979 47.407 60.159 1.00 0.00 H HETATM 461 H MLY A 47 19.220 49.462 64.522 1.00 0.00 H ATOM 462 N PHE A 48 22.067 49.951 65.880 1.00 13.40 N ATOM 463 CA PHE A 48 23.248 50.634 66.348 1.00 12.58 C ATOM 464 C PHE A 48 22.859 51.870 67.123 1.00 14.45 C ATOM 465 O PHE A 48 22.990 52.983 66.637 1.00 13.74 O ATOM 466 CB PHE A 48 24.158 50.975 65.164 1.00 14.68 C ATOM 467 CG PHE A 48 24.792 49.764 64.573 1.00 21.00 C ATOM 468 CD1 PHE A 48 25.835 49.136 65.240 1.00 22.37 C ATOM 469 CD2 PHE A 48 24.292 49.202 63.419 1.00 24.65 C ATOM 470 CE1 PHE A 48 26.408 47.987 64.715 1.00 28.08 C ATOM 471 CE2 PHE A 48 24.851 48.043 62.899 1.00 27.08 C ATOM 472 CZ PHE A 48 25.905 47.446 63.551 1.00 26.06 C ATOM 473 H PHE A 48 21.338 50.499 65.380 1.00 0.00 H ATOM 474 N PRO A 49 22.427 51.664 68.366 1.00 14.40 N ATOM 475 CA PRO A 49 22.046 52.837 69.149 1.00 13.90 C ATOM 476 C PRO A 49 23.232 53.737 69.469 1.00 14.26 C ATOM 477 O PRO A 49 23.020 54.857 69.917 1.00 15.05 O ATOM 478 CB PRO A 49 21.411 52.223 70.398 1.00 16.31 C ATOM 479 CG PRO A 49 22.001 50.846 70.515 1.00 15.13 C ATOM 480 CD PRO A 49 22.214 50.399 69.093 1.00 15.11 C ATOM 481 N GLU A 50 24.458 53.291 69.188 1.00 15.11 N ATOM 482 CA GLU A 50 25.615 54.174 69.220 1.00 18.50 C ATOM 483 C GLU A 50 25.479 55.350 68.261 1.00 18.39 C ATOM 484 O GLU A 50 26.147 56.363 68.420 1.00 18.92 O ATOM 485 CB GLU A 50 26.896 53.421 68.847 1.00 17.63 C ATOM 486 CG GLU A 50 27.316 52.374 69.833 1.00 21.46 C ATOM 487 CD GLU A 50 26.738 51.013 69.531 1.00 16.47 C ATOM 488 OE1 GLU A 50 25.703 50.879 68.819 1.00 16.51 O ATOM 489 OE2 GLU A 50 27.344 50.040 70.024 1.00 23.25 O ATOM 490 H GLU A 50 24.590 52.290 68.940 1.00 0.00 H ATOM 491 N LEU A 51 24.634 55.198 67.249 1.00 16.49 N ATOM 492 CA LEU A 51 24.379 56.271 66.303 1.00 17.68 C ATOM 493 C LEU A 51 23.367 57.291 66.795 1.00 17.01 C ATOM 494 O LEU A 51 23.224 58.353 66.186 1.00 16.80 O ATOM 495 CB LEU A 51 23.908 55.692 64.969 1.00 14.99 C ATOM 496 CG LEU A 51 24.971 54.855 64.255 1.00 18.79 C ATOM 497 CD1 LEU A 51 24.403 54.336 62.965 1.00 19.58 C ATOM 498 CD2 LEU A 51 26.218 55.694 63.985 1.00 24.06 C ATOM 499 H LEU A 51 24.143 54.289 67.130 1.00 0.00 H ATOM 500 N ALA A 52 22.679 56.998 67.900 1.00 15.13 N ATOM 501 CA ALA A 52 21.620 57.892 68.387 1.00 15.56 C ATOM 502 C ALA A 52 22.049 59.349 68.638 1.00 17.86 C ATOM 503 O ALA A 52 21.280 60.266 68.323 1.00 18.81 O ATOM 504 CB ALA A 52 20.938 57.302 69.642 1.00 17.79 C ATOM 505 H ALA A 52 22.895 56.126 68.423 1.00 0.00 H ATOM 506 N PRO A 53 23.264 59.583 69.185 1.00 18.69 N ATOM 507 CA PRO A 53 23.657 60.988 69.393 1.00 20.97 C ATOM 508 C PRO A 53 23.717 61.833 68.125 1.00 22.10 C ATOM 509 O PRO A 53 23.659 63.066 68.208 1.00 24.35 O ATOM 510 CB PRO A 53 25.057 60.869 70.002 1.00 26.74 C ATOM 511 CG PRO A 53 25.050 59.562 70.686 1.00 23.22 C ATOM 512 CD PRO A 53 24.264 58.665 69.761 1.00 18.73 C ATOM 513 N THR A 54 23.839 61.196 66.969 1.00 19.80 N ATOM 514 CA THR A 54 23.863 61.934 65.710 1.00 22.96 C ATOM 515 C THR A 54 22.698 61.551 64.829 1.00 16.39 C ATOM 516 O THR A 54 22.787 61.659 63.596 1.00 18.94 O ATOM 517 CB THR A 54 25.163 61.708 64.898 1.00 28.00 C ATOM 518 OG1 THR A 54 25.344 60.303 64.640 1.00 23.57 O ATOM 519 CG2 THR A 54 26.372 62.273 65.624 1.00 28.67 C ATOM 520 HG1 THR A 54 24.572 59.962 64.122 1.00 0.00 H ATOM 521 H THR A 54 23.918 60.159 66.959 1.00 0.00 H HETATM 522 N MLY A 55 21.606 61.103 65.425 1.00 16.20 N HETATM 523 CA MLY A 55 20.453 60.662 64.662 1.00 15.13 C HETATM 524 C MLY A 55 19.864 61.748 63.755 1.00 15.71 C HETATM 525 O MLY A 55 19.291 61.435 62.722 1.00 14.14 O HETATM 526 CB MLY A 55 19.386 60.069 65.560 1.00 19.21 C HETATM 527 CG MLY A 55 18.681 61.070 66.452 1.00 19.35 C HETATM 528 CD MLY A 55 17.687 60.331 67.341 1.00 25.79 C HETATM 529 CE MLY A 55 16.794 61.274 68.100 1.00 31.21 C HETATM 530 NZ MLY A 55 15.939 60.530 69.067 1.00 33.03 N HETATM 531 CH2 MLY A 55 14.747 60.058 68.348 1.00 28.42 C HETATM 532 CH1 MLY A 55 15.501 61.495 70.083 1.00 39.31 C HETATM 533 HZ MLY A 55 16.451 59.731 69.493 1.00 0.00 H HETATM 534 H MLY A 55 21.573 61.066 66.464 1.00 0.00 H ATOM 535 N ASP A 56 20.077 63.017 64.097 1.00 15.88 N ATOM 536 CA ASP A 56 19.564 64.116 63.279 1.00 15.09 C ATOM 537 C ASP A 56 20.314 64.286 61.972 1.00 17.56 C ATOM 538 O ASP A 56 19.839 64.997 61.082 1.00 14.80 O ATOM 539 CB ASP A 56 19.585 65.437 64.051 1.00 15.11 C ATOM 540 CG ASP A 56 18.568 65.469 65.166 1.00 19.48 C ATOM 541 OD1 ASP A 56 17.585 64.703 65.113 1.00 19.23 O ATOM 542 OD2 ASP A 56 18.753 66.299 66.075 1.00 20.87 O ATOM 543 H ASP A 56 20.617 63.230 64.960 1.00 0.00 H HETATM 544 N MLY A 57 21.481 63.651 61.855 1.00 14.44 N HETATM 545 CA MLY A 57 22.262 63.681 60.620 1.00 13.60 C HETATM 546 C MLY A 57 21.997 62.478 59.710 1.00 14.68 C HETATM 547 O MLY A 57 22.493 62.428 58.576 1.00 15.49 O HETATM 548 CB MLY A 57 23.754 63.757 60.950 1.00 16.38 C HETATM 549 CG MLY A 57 24.128 64.983 61.762 1.00 21.52 C HETATM 550 CD MLY A 57 25.633 65.078 61.896 1.00 27.81 C HETATM 551 CE MLY A 57 26.054 66.374 62.565 1.00 39.15 C HETATM 552 NZ MLY A 57 27.511 66.367 62.873 1.00 48.15 N HETATM 553 CH2 MLY A 57 27.669 65.629 64.134 1.00 39.42 C HETATM 554 CH1 MLY A 57 27.906 67.759 63.130 1.00 52.30 C HETATM 555 HZ MLY A 57 28.072 65.948 62.104 1.00 0.00 H HETATM 556 H MLY A 57 21.847 63.117 62.669 1.00 0.00 H ATOM 557 N MET A 58 21.191 61.533 60.172 1.00 14.77 N ATOM 558 CA MET A 58 21.038 60.271 59.446 1.00 14.04 C ATOM 559 C MET A 58 20.276 60.405 58.140 1.00 14.58 C ATOM 560 O MET A 58 20.624 59.756 57.144 1.00 13.24 O ATOM 561 CB MET A 58 20.369 59.223 60.317 1.00 17.16 C ATOM 562 CG MET A 58 21.225 58.831 61.492 1.00 16.12 C ATOM 563 SD MET A 58 22.468 57.617 61.040 1.00 21.19 S ATOM 564 CE MET A 58 21.460 56.127 60.985 1.00 18.54 C ATOM 565 H MET A 58 20.664 61.689 61.055 1.00 0.00 H ATOM 566 N TYR A 59 19.229 61.218 58.094 1.00 14.52 N ATOM 567 CA TYR A 59 18.513 61.330 56.827 1.00 13.89 C ATOM 568 C TYR A 59 19.399 61.902 55.740 1.00 12.42 C ATOM 569 O TYR A 59 19.349 61.438 54.596 1.00 13.20 O ATOM 570 CB TYR A 59 17.213 62.118 56.983 1.00 15.23 C ATOM 571 CG TYR A 59 16.130 61.284 57.610 1.00 17.09 C ATOM 572 CD1 TYR A 59 15.816 60.024 57.107 1.00 19.00 C ATOM 573 CD2 TYR A 59 15.428 61.739 58.715 1.00 21.42 C ATOM 574 CE1 TYR A 59 14.837 59.245 57.688 1.00 18.84 C ATOM 575 CE2 TYR A 59 14.436 60.970 59.299 1.00 29.77 C ATOM 576 CZ TYR A 59 14.143 59.729 58.782 1.00 25.48 C ATOM 577 OH TYR A 59 13.163 58.961 59.365 1.00 30.17 O ATOM 578 HH TYR A 59 13.080 58.105 58.874 1.00 0.00 H ATOM 579 H TYR A 59 18.929 61.757 58.931 1.00 0.00 H ATOM 580 N GLU A 60 20.231 62.876 56.068 1.00 12.65 N ATOM 581 CA GLU A 60 21.191 63.403 55.105 1.00 13.43 C ATOM 582 C GLU A 60 22.189 62.327 54.682 1.00 14.05 C ATOM 583 O GLU A 60 22.535 62.220 53.490 1.00 13.69 O ATOM 584 CB GLU A 60 21.933 64.644 55.630 1.00 12.64 C ATOM 585 CG GLU A 60 22.919 65.220 54.616 1.00 15.52 C ATOM 586 CD GLU A 60 23.736 66.411 55.113 1.00 15.61 C ATOM 587 OE1 GLU A 60 23.732 66.696 56.318 1.00 17.80 O ATOM 588 OE2 GLU A 60 24.415 67.063 54.300 1.00 17.64 O ATOM 589 H GLU A 60 20.200 63.273 57.029 1.00 0.00 H ATOM 590 N ARG A 61 22.652 61.531 55.642 1.00 14.71 N ATOM 591 CA ARG A 61 23.576 60.447 55.310 1.00 14.72 C ATOM 592 C ARG A 61 22.932 59.457 54.354 1.00 12.35 C ATOM 593 O ARG A 61 23.593 58.998 53.410 1.00 13.08 O ATOM 594 CB ARG A 61 24.059 59.741 56.570 1.00 14.61 C ATOM 595 CG ARG A 61 24.993 60.584 57.417 1.00 17.31 C ATOM 596 CD ARG A 61 25.152 59.974 58.805 1.00 22.96 C ATOM 597 NE ARG A 61 26.004 60.782 59.680 1.00 25.72 N ATOM 598 CZ ARG A 61 26.033 60.678 61.009 1.00 20.54 C ATOM 599 NH1 ARG A 61 25.243 59.812 61.633 1.00 26.10 N ATOM 600 NH2 ARG A 61 26.846 61.450 61.714 1.00 24.62 N ATOM 601 HE ARG A 61 26.629 61.484 59.235 1.00 0.00 H ATOM 602 HH12 ARG A 61 25.271 59.736 62.670 1.00 0.00 H ATOM 603 HH11 ARG A 61 24.596 59.210 61.085 1.00 0.00 H ATOM 604 HH22 ARG A 61 26.870 61.370 62.751 1.00 0.00 H ATOM 605 HH21 ARG A 61 27.461 62.136 61.231 1.00 0.00 H ATOM 606 H ARG A 61 22.357 61.679 56.628 1.00 0.00 H ATOM 607 N SER A 62 21.669 59.112 54.568 1.00 12.32 N ATOM 608 CA SER A 62 20.995 58.189 53.669 1.00 14.08 C ATOM 609 C SER A 62 20.850 58.802 52.282 1.00 12.79 C ATOM 610 O SER A 62 21.113 58.161 51.268 1.00 14.28 O ATOM 611 CB SER A 62 19.648 57.725 54.222 1.00 17.79 C ATOM 612 OG SER A 62 18.698 58.778 54.240 1.00 29.61 O ATOM 613 HG SER A 62 19.033 59.514 54.811 1.00 0.00 H ATOM 614 H SER A 62 21.158 59.504 55.384 1.00 0.00 H ATOM 615 N HIS A 63 20.467 60.065 52.218 1.00 13.55 N ATOM 616 CA HIS A 63 20.247 60.710 50.946 1.00 14.07 C ATOM 617 C HIS A 63 21.553 60.889 50.167 1.00 13.49 C ATOM 618 O HIS A 63 21.618 60.647 48.954 1.00 14.83 O ATOM 619 CB HIS A 63 19.550 62.053 51.193 1.00 14.75 C ATOM 620 CG HIS A 63 18.958 62.644 49.956 1.00 17.47 C ATOM 621 ND1 HIS A 63 18.456 63.927 49.907 1.00 25.57 N ATOM 622 CD2 HIS A 63 18.791 62.123 48.717 1.00 23.76 C ATOM 623 CE1 HIS A 63 18.009 64.171 48.687 1.00 19.87 C ATOM 624 NE2 HIS A 63 18.200 63.094 47.947 1.00 25.81 N ATOM 625 H HIS A 63 20.322 60.602 53.097 1.00 0.00 H ATOM 626 N ARG A 64 22.619 61.272 50.855 1.00 13.94 N ATOM 627 CA ARG A 64 23.925 61.377 50.222 1.00 13.18 C ATOM 628 C ARG A 64 24.429 60.018 49.762 1.00 14.24 C ATOM 629 O ARG A 64 25.098 59.917 48.721 1.00 14.67 O ATOM 630 CB ARG A 64 24.948 62.017 51.159 1.00 13.63 C ATOM 631 CG ARG A 64 24.694 63.523 51.346 1.00 16.31 C ATOM 632 CD ARG A 64 25.673 64.133 52.341 1.00 22.40 C ATOM 633 NE ARG A 64 27.059 63.997 51.910 1.00 30.81 N ATOM 634 CZ ARG A 64 27.694 64.876 51.142 1.00 39.39 C ATOM 635 NH1 ARG A 64 27.069 65.963 50.713 1.00 30.19 N ATOM 636 NH2 ARG A 64 28.959 64.666 50.804 1.00 40.08 N ATOM 637 HE ARG A 64 27.585 63.157 52.224 1.00 0.00 H ATOM 638 HH12 ARG A 64 27.570 66.648 50.112 1.00 0.00 H ATOM 639 HH11 ARG A 64 26.077 66.131 50.977 1.00 0.00 H ATOM 640 HH22 ARG A 64 29.458 65.353 50.203 1.00 0.00 H ATOM 641 HH21 ARG A 64 29.453 63.814 51.140 1.00 0.00 H ATOM 642 H ARG A 64 22.520 61.501 51.865 1.00 0.00 H ATOM 643 N HIS A 65 24.142 58.980 50.544 1.00 12.96 N ATOM 644 CA HIS A 65 24.530 57.638 50.127 1.00 13.45 C ATOM 645 C HIS A 65 23.858 57.295 48.794 1.00 12.13 C ATOM 646 O HIS A 65 24.509 56.780 47.879 1.00 12.12 O ATOM 647 CB HIS A 65 24.151 56.614 51.182 1.00 12.22 C ATOM 648 CG HIS A 65 24.386 55.199 50.753 1.00 11.43 C ATOM 649 ND1 HIS A 65 25.652 54.675 50.595 1.00 13.58 N ATOM 650 CD2 HIS A 65 23.518 54.219 50.403 1.00 12.18 C ATOM 651 CE1 HIS A 65 25.547 53.419 50.192 1.00 12.29 C ATOM 652 NE2 HIS A 65 24.266 53.115 50.074 1.00 11.61 N ATOM 653 H HIS A 65 23.645 59.125 51.446 1.00 0.00 H ATOM 654 N TRP A 66 22.560 57.564 48.684 1.00 12.30 N ATOM 655 CA TRP A 66 21.824 57.310 47.446 1.00 11.85 C ATOM 656 C TRP A 66 22.377 58.105 46.278 1.00 13.77 C ATOM 657 O TRP A 66 22.648 57.550 45.207 1.00 12.81 O ATOM 658 CB TRP A 66 20.352 57.646 47.655 1.00 12.55 C ATOM 659 CG TRP A 66 19.513 57.567 46.419 1.00 14.12 C ATOM 660 CD1 TRP A 66 18.898 58.603 45.782 1.00 16.46 C ATOM 661 CD2 TRP A 66 19.178 56.385 45.680 1.00 11.22 C ATOM 662 NE1 TRP A 66 18.199 58.140 44.691 1.00 15.28 N ATOM 663 CE2 TRP A 66 18.362 56.785 44.599 1.00 16.05 C ATOM 664 CE3 TRP A 66 19.492 55.030 45.822 1.00 12.45 C ATOM 665 CZ2 TRP A 66 17.844 55.880 43.675 1.00 14.16 C ATOM 666 CZ3 TRP A 66 18.976 54.124 44.893 1.00 13.07 C ATOM 667 CH2 TRP A 66 18.158 54.562 43.837 1.00 14.01 C ATOM 668 HE1 TRP A 66 17.637 58.726 44.041 1.00 0.00 H ATOM 669 H TRP A 66 22.055 57.966 49.500 1.00 0.00 H ATOM 670 N VAL A 67 22.581 59.401 46.466 1.00 14.42 N ATOM 671 CA VAL A 67 22.999 60.250 45.354 1.00 14.44 C ATOM 672 C VAL A 67 24.473 60.026 45.024 1.00 16.10 C ATOM 673 O VAL A 67 24.826 59.750 43.881 1.00 16.55 O ATOM 674 CB VAL A 67 22.747 61.754 45.672 1.00 18.39 C ATOM 675 CG1 VAL A 67 23.279 62.657 44.548 1.00 20.37 C ATOM 676 CG2 VAL A 67 21.273 61.990 45.888 1.00 17.59 C ATOM 677 H VAL A 67 22.443 59.815 47.410 1.00 0.00 H ATOM 678 N ASN A 68 25.346 60.139 46.018 1.00 16.93 N ATOM 679 CA ASN A 68 26.786 60.163 45.764 1.00 15.36 C ATOM 680 C ASN A 68 27.477 58.811 45.641 1.00 20.52 C ATOM 681 O ASN A 68 28.366 58.635 44.806 1.00 22.06 O ATOM 682 CB ASN A 68 27.505 61.004 46.832 1.00 17.36 C ATOM 683 CG ASN A 68 27.153 62.471 46.752 1.00 25.87 C ATOM 684 OD1 ASN A 68 26.916 63.011 45.674 1.00 28.50 O ATOM 685 ND2 ASN A 68 27.140 63.134 47.899 1.00 23.51 N ATOM 686 HD22 ASN A 68 27.347 62.637 48.789 1.00 0.00 H ATOM 687 HD21 ASN A 68 26.923 64.151 47.909 1.00 0.00 H ATOM 688 H ASN A 68 24.999 60.212 46.996 1.00 0.00 H ATOM 689 N HIS A 69 27.094 57.856 46.478 1.00 14.94 N ATOM 690 CA HIS A 69 27.732 56.539 46.448 1.00 15.79 C ATOM 691 C HIS A 69 27.061 55.639 45.430 1.00 18.89 C ATOM 692 O HIS A 69 27.729 55.038 44.573 1.00 21.74 O ATOM 693 CB HIS A 69 27.692 55.868 47.830 1.00 14.73 C ATOM 694 CG HIS A 69 28.289 54.489 47.862 1.00 16.14 C ATOM 695 ND1 HIS A 69 29.594 54.242 48.236 1.00 15.12 N ATOM 696 CD2 HIS A 69 27.751 53.277 47.562 1.00 14.56 C ATOM 697 CE1 HIS A 69 29.834 52.941 48.166 1.00 15.76 C ATOM 698 NE2 HIS A 69 28.733 52.335 47.745 1.00 13.59 N ATOM 699 H HIS A 69 26.333 58.045 47.162 1.00 0.00 H ATOM 700 N CYS A 70 25.743 55.533 45.523 1.00 13.33 N ATOM 701 CA CYS A 70 25.024 54.616 44.647 1.00 13.28 C ATOM 702 C CYS A 70 24.850 55.099 43.221 1.00 13.99 C ATOM 703 O CYS A 70 24.805 54.279 42.308 1.00 14.08 O ATOM 704 CB CYS A 70 23.654 54.303 45.223 1.00 10.59 C ATOM 705 SG CYS A 70 23.717 53.370 46.741 1.00 13.47 S ATOM 706 H CYS A 70 25.223 56.103 46.220 1.00 0.00 H ATOM 707 N ASN A 71 24.736 56.405 43.038 1.00 13.02 N ATOM 708 CA ASN A 71 24.341 56.965 41.747 1.00 13.14 C ATOM 709 C ASN A 71 25.310 57.999 41.216 1.00 14.96 C ATOM 710 O ASN A 71 24.921 58.836 40.394 1.00 15.46 O ATOM 711 CB ASN A 71 22.939 57.549 41.836 1.00 14.23 C ATOM 712 CG ASN A 71 21.886 56.473 41.937 1.00 16.88 C ATOM 713 OD1 ASN A 71 21.232 56.308 42.973 1.00 20.31 O ATOM 714 ND2 ASN A 71 21.740 55.698 40.875 1.00 15.22 N ATOM 715 HD22 ASN A 71 22.310 55.871 40.023 1.00 0.00 H ATOM 716 HD21 ASN A 71 21.055 54.916 40.892 1.00 0.00 H ATOM 717 H ASN A 71 24.932 57.048 43.832 1.00 0.00 H ATOM 718 N LEU A 72 26.562 57.943 41.670 1.00 17.07 N ATOM 719 CA LEU A 72 27.678 58.671 41.064 1.00 18.79 C ATOM 720 C LEU A 72 27.517 60.179 41.110 1.00 18.11 C ATOM 721 O LEU A 72 28.077 60.890 40.263 1.00 20.38 O ATOM 722 CB LEU A 72 27.918 58.201 39.619 1.00 17.14 C ATOM 723 CG LEU A 72 28.196 56.697 39.488 1.00 20.57 C ATOM 724 CD1 LEU A 72 28.365 56.234 38.030 1.00 24.23 C ATOM 725 CD2 LEU A 72 29.419 56.339 40.336 1.00 30.11 C ATOM 726 H LEU A 72 26.757 57.349 42.501 1.00 0.00 H ATOM 727 N GLY A 73 26.745 60.661 42.076 1.00 20.37 N ATOM 728 CA GLY A 73 26.544 62.085 42.274 1.00 21.65 C ATOM 729 C GLY A 73 25.391 62.644 41.468 1.00 19.47 C ATOM 730 O GLY A 73 25.112 63.843 41.517 1.00 27.93 O ATOM 731 H GLY A 73 26.266 59.994 42.715 1.00 0.00 H ATOM 732 N VAL A 74 24.705 61.783 40.727 1.00 19.50 N ATOM 733 CA VAL A 74 23.636 62.241 39.852 1.00 21.82 C ATOM 734 C VAL A 74 22.266 62.224 40.524 1.00 23.51 C ATOM 735 O VAL A 74 21.899 61.255 41.196 1.00 23.19 O ATOM 736 CB VAL A 74 23.582 61.382 38.571 1.00 20.26 C ATOM 737 CG1 VAL A 74 22.478 61.866 37.669 1.00 26.05 C ATOM 738 CG2 VAL A 74 24.914 61.421 37.850 1.00 23.39 C ATOM 739 H VAL A 74 24.934 60.769 40.772 1.00 0.00 H HETATM 740 N MLY A 75 21.505 63.303 40.352 1.00 28.15 N HETATM 741 CA MLY A 75 20.124 63.319 40.816 1.00 26.53 C HETATM 742 C MLY A 75 19.279 62.508 39.839 1.00 26.05 C HETATM 743 O MLY A 75 19.066 62.922 38.698 1.00 30.79 O HETATM 744 CB MLY A 75 19.588 64.754 40.920 1.00 37.59 C HETATM 745 CG MLY A 75 18.462 64.952 41.956 1.00 42.38 C HETATM 746 CD MLY A 75 17.102 64.469 41.459 1.00 42.60 C HETATM 747 CE MLY A 75 16.093 64.301 42.584 1.00 44.18 C HETATM 748 NZ MLY A 75 14.914 63.507 42.128 1.00 39.78 N HETATM 749 CH2 MLY A 75 14.124 64.370 41.241 1.00 46.44 C HETATM 750 CH1 MLY A 75 14.086 63.208 43.304 1.00 41.33 C HETATM 751 HZ MLY A 75 15.212 62.633 41.649 1.00 0.00 H HETATM 752 H MLY A 75 21.900 64.142 39.882 1.00 0.00 H ATOM 753 N MET A 76 18.786 61.369 40.306 1.00 23.85 N ATOM 754 CA MET A 76 17.991 60.466 39.482 1.00 23.68 C ATOM 755 C MET A 76 16.509 60.781 39.669 1.00 25.30 C ATOM 756 O MET A 76 16.148 61.406 40.655 1.00 26.48 O ATOM 757 CB MET A 76 18.306 59.019 39.870 1.00 23.93 C ATOM 758 CG MET A 76 19.781 58.666 39.699 1.00 26.21 C ATOM 759 SD MET A 76 20.390 58.969 38.024 1.00 26.35 S ATOM 760 CE MET A 76 19.548 57.693 37.100 1.00 21.60 C ATOM 761 H MET A 76 18.973 61.110 41.296 1.00 0.00 H ATOM 762 N PRO A 77 15.648 60.363 38.719 1.00 24.44 N ATOM 763 CA PRO A 77 14.212 60.664 38.801 1.00 25.64 C ATOM 764 C PRO A 77 13.558 60.039 40.019 1.00 29.54 C ATOM 765 O PRO A 77 14.056 59.033 40.521 1.00 22.81 O ATOM 766 CB PRO A 77 13.643 60.018 37.528 1.00 29.81 C ATOM 767 CG PRO A 77 14.802 59.865 36.617 1.00 23.69 C ATOM 768 CD PRO A 77 15.979 59.607 37.498 1.00 25.74 C ATOM 769 N GLU A 78 12.462 60.624 40.492 1.00 30.45 N ATOM 770 CA GLU A 78 11.719 60.038 41.591 1.00 29.48 C ATOM 771 C GLU A 78 11.282 58.638 41.188 1.00 25.59 C ATOM 772 O GLU A 78 10.851 58.414 40.054 1.00 28.89 O ATOM 773 CB GLU A 78 10.512 60.909 41.952 1.00 42.61 C ATOM 774 CG GLU A 78 9.759 60.453 43.196 1.00 53.39 C ATOM 775 CD GLU A 78 9.290 61.613 44.065 1.00 72.71 C ATOM 776 OE1 GLU A 78 10.130 62.465 44.438 1.00 65.73 O ATOM 777 OE2 GLU A 78 8.081 61.673 44.376 1.00 75.73 O ATOM 778 H GLU A 78 12.133 61.515 40.068 1.00 0.00 H ATOM 779 N GLY A 79 11.450 57.686 42.098 1.00 23.94 N ATOM 780 CA GLY A 79 11.096 56.311 41.833 1.00 23.50 C ATOM 781 C GLY A 79 12.168 55.496 41.123 1.00 17.14 C ATOM 782 O GLY A 79 11.938 54.325 40.843 1.00 19.08 O ATOM 783 H GLY A 79 11.847 57.937 43.026 1.00 0.00 H ATOM 784 N TYR A 80 13.327 56.097 40.862 1.00 16.50 N ATOM 785 CA TYR A 80 14.399 55.371 40.163 1.00 15.53 C ATOM 786 C TYR A 80 14.770 54.087 40.907 1.00 15.24 C ATOM 787 O TYR A 80 14.917 54.093 42.141 1.00 16.52 O ATOM 788 CB TYR A 80 15.618 56.248 39.970 1.00 16.49 C ATOM 789 CG TYR A 80 16.773 55.562 39.275 1.00 13.91 C ATOM 790 CD1 TYR A 80 16.760 55.345 37.900 1.00 15.78 C ATOM 791 CD2 TYR A 80 17.883 55.131 39.995 1.00 17.18 C ATOM 792 CE1 TYR A 80 17.814 54.714 37.280 1.00 14.12 C ATOM 793 CE2 TYR A 80 18.935 54.520 39.376 1.00 16.76 C ATOM 794 CZ TYR A 80 18.902 54.304 38.023 1.00 14.81 C ATOM 795 OH TYR A 80 19.972 53.694 37.409 1.00 15.92 O ATOM 796 HH TYR A 80 19.792 53.613 36.439 1.00 0.00 H ATOM 797 H TYR A 80 13.475 57.084 41.154 1.00 0.00 H ATOM 798 N ARG A 81 14.894 52.991 40.171 1.00 15.27 N ATOM 799 CA ARG A 81 15.193 51.687 40.740 1.00 13.95 C ATOM 800 C ARG A 81 16.580 51.209 40.356 1.00 15.96 C ATOM 801 O ARG A 81 16.799 50.800 39.208 1.00 16.99 O ATOM 802 CB ARG A 81 14.181 50.664 40.257 1.00 16.88 C ATOM 803 CG ARG A 81 12.742 51.056 40.521 1.00 17.89 C ATOM 804 CD ARG A 81 11.841 50.213 39.676 1.00 20.41 C ATOM 805 NE ARG A 81 10.460 50.262 40.127 1.00 22.16 N ATOM 806 CZ ARG A 81 9.613 49.243 40.037 1.00 19.51 C ATOM 807 NH1 ARG A 81 9.994 48.091 39.510 1.00 18.22 N ATOM 808 NH2 ARG A 81 8.377 49.369 40.511 1.00 20.60 N ATOM 809 HE ARG A 81 10.114 51.149 40.546 1.00 0.00 H ATOM 810 HH12 ARG A 81 9.321 47.301 39.445 1.00 0.00 H ATOM 811 HH11 ARG A 81 10.967 47.976 39.160 1.00 0.00 H ATOM 812 HH22 ARG A 81 7.710 48.574 40.443 1.00 0.00 H ATOM 813 HH21 ARG A 81 8.077 50.263 40.950 1.00 0.00 H ATOM 814 H ARG A 81 14.772 53.068 39.141 1.00 0.00 H ATOM 815 N LEU A 82 17.511 51.208 41.303 1.00 11.91 N ATOM 816 CA LEU A 82 18.891 50.823 41.016 1.00 10.74 C ATOM 817 C LEU A 82 19.044 49.320 41.196 1.00 10.25 C ATOM 818 O LEU A 82 18.831 48.788 42.284 1.00 12.08 O ATOM 819 CB LEU A 82 19.843 51.565 41.951 1.00 12.47 C ATOM 820 CG LEU A 82 21.321 51.225 41.796 1.00 10.30 C ATOM 821 CD1 LEU A 82 21.872 51.761 40.471 1.00 12.28 C ATOM 822 CD2 LEU A 82 22.073 51.819 42.983 1.00 12.02 C ATOM 823 H LEU A 82 17.252 51.488 42.271 1.00 0.00 H ATOM 824 N THR A 83 19.406 48.621 40.123 1.00 10.76 N ATOM 825 CA THR A 83 19.522 47.168 40.198 1.00 10.87 C ATOM 826 C THR A 83 20.870 46.709 40.743 1.00 11.21 C ATOM 827 O THR A 83 21.832 47.465 40.725 1.00 11.12 O ATOM 828 CB THR A 83 19.324 46.501 38.820 1.00 10.18 C ATOM 829 OG1 THR A 83 20.390 46.884 37.931 1.00 12.06 O ATOM 830 CG2 THR A 83 17.977 46.886 38.215 1.00 12.25 C ATOM 831 HG1 THR A 83 20.255 46.452 37.050 1.00 0.00 H ATOM 832 H THR A 83 19.607 49.112 39.228 1.00 0.00 H ATOM 833 N GLU A 84 20.941 45.449 41.159 1.00 10.34 N ATOM 834 CA GLU A 84 22.197 44.899 41.664 1.00 11.79 C ATOM 835 C GLU A 84 23.347 45.036 40.663 1.00 11.22 C ATOM 836 O GLU A 84 24.421 45.517 41.010 1.00 11.39 O ATOM 837 CB GLU A 84 22.017 43.429 42.026 1.00 11.23 C ATOM 838 CG GLU A 84 23.273 42.743 42.534 1.00 12.65 C ATOM 839 CD GLU A 84 23.066 41.254 42.620 1.00 15.73 C ATOM 840 OE1 GLU A 84 23.568 40.521 41.748 1.00 17.26 O ATOM 841 OE2 GLU A 84 22.373 40.797 43.556 1.00 18.13 O ATOM 842 H GLU A 84 20.093 44.848 41.125 1.00 0.00 H ATOM 843 N SER A 85 23.116 44.653 39.410 1.00 11.18 N ATOM 844 CA SER A 85 24.223 44.677 38.454 1.00 10.42 C ATOM 845 C SER A 85 24.640 46.099 38.153 1.00 11.55 C ATOM 846 O SER A 85 25.822 46.390 37.906 1.00 11.02 O ATOM 847 CB SER A 85 23.834 43.939 37.180 1.00 12.78 C ATOM 848 OG SER A 85 22.805 44.620 36.492 1.00 15.36 O ATOM 849 HG SER A 85 22.572 44.120 35.670 1.00 0.00 H ATOM 850 H SER A 85 22.168 44.343 39.116 1.00 0.00 H ATOM 851 N GLN A 86 23.680 47.012 38.213 1.00 10.21 N ATOM 852 CA GLN A 86 23.997 48.411 37.985 1.00 10.73 C ATOM 853 C GLN A 86 24.834 48.977 39.132 1.00 10.24 C ATOM 854 O GLN A 86 25.768 49.753 38.897 1.00 10.74 O ATOM 855 CB GLN A 86 22.734 49.243 37.794 1.00 11.19 C ATOM 856 CG GLN A 86 23.025 50.635 37.274 1.00 11.38 C ATOM 857 CD GLN A 86 23.722 50.603 35.953 1.00 10.47 C ATOM 858 OE1 GLN A 86 23.216 50.013 34.994 1.00 12.25 O ATOM 859 NE2 GLN A 86 24.879 51.245 35.873 1.00 12.75 N ATOM 860 HE22 GLN A 86 25.265 51.728 36.710 1.00 0.00 H ATOM 861 HE21 GLN A 86 25.401 51.266 34.974 1.00 0.00 H ATOM 862 H GLN A 86 22.702 46.727 38.423 1.00 0.00 H ATOM 863 N TYR A 87 24.505 48.610 40.371 1.00 10.47 N ATOM 864 CA TYR A 87 25.320 49.073 41.467 1.00 9.91 C ATOM 865 C TYR A 87 26.756 48.619 41.270 1.00 9.56 C ATOM 866 O TYR A 87 27.686 49.389 41.509 1.00 10.80 O ATOM 867 CB TYR A 87 24.800 48.558 42.815 1.00 10.77 C ATOM 868 CG TYR A 87 25.798 48.885 43.910 1.00 10.93 C ATOM 869 CD1 TYR A 87 25.958 50.195 44.375 1.00 11.65 C ATOM 870 CD2 TYR A 87 26.645 47.898 44.428 1.00 9.72 C ATOM 871 CE1 TYR A 87 26.930 50.506 45.336 1.00 11.77 C ATOM 872 CE2 TYR A 87 27.607 48.198 45.390 1.00 11.04 C ATOM 873 CZ TYR A 87 27.743 49.505 45.830 1.00 10.80 C ATOM 874 OH TYR A 87 28.701 49.811 46.759 1.00 12.70 O ATOM 875 HH TYR A 87 28.664 50.779 46.962 1.00 0.00 H ATOM 876 H TYR A 87 23.678 48.003 40.543 1.00 0.00 H ATOM 877 N VAL A 88 26.941 47.374 40.833 1.00 9.92 N ATOM 878 CA VAL A 88 28.294 46.854 40.635 1.00 11.24 C ATOM 879 C VAL A 88 29.077 47.726 39.628 1.00 11.03 C ATOM 880 O VAL A 88 30.213 48.101 39.880 1.00 12.19 O ATOM 881 CB VAL A 88 28.284 45.370 40.226 1.00 12.10 C ATOM 882 CG1 VAL A 88 29.683 44.883 39.847 1.00 14.74 C ATOM 883 CG2 VAL A 88 27.690 44.514 41.350 1.00 15.33 C ATOM 884 H VAL A 88 26.119 46.769 40.632 1.00 0.00 H ATOM 885 N GLN A 89 28.449 48.075 38.510 1.00 10.80 N ATOM 886 CA GLN A 89 29.140 48.900 37.528 1.00 10.79 C ATOM 887 C GLN A 89 29.298 50.332 38.003 1.00 12.38 C ATOM 888 O GLN A 89 30.287 50.978 37.662 1.00 13.56 O ATOM 889 CB GLN A 89 28.417 48.892 36.185 1.00 12.27 C ATOM 890 CG GLN A 89 28.325 47.520 35.533 1.00 12.54 C ATOM 891 CD GLN A 89 29.682 46.907 35.226 1.00 14.71 C ATOM 892 OE1 GLN A 89 29.912 45.719 35.463 1.00 22.84 O ATOM 893 NE2 GLN A 89 30.583 47.714 34.723 1.00 13.88 N ATOM 894 HE22 GLN A 89 30.345 48.710 34.539 1.00 0.00 H ATOM 895 HE21 GLN A 89 31.537 47.359 34.508 1.00 0.00 H ATOM 896 H GLN A 89 27.472 47.762 38.338 1.00 0.00 H ATOM 897 N ASN A 90 28.352 50.849 38.781 1.00 10.19 N ATOM 898 CA ASN A 90 28.514 52.201 39.320 1.00 12.42 C ATOM 899 C ASN A 90 29.661 52.243 40.328 1.00 11.87 C ATOM 900 O ASN A 90 30.433 53.215 40.370 1.00 13.31 O ATOM 901 CB ASN A 90 27.231 52.690 40.003 1.00 10.93 C ATOM 902 CG ASN A 90 26.123 52.992 39.014 1.00 11.49 C ATOM 903 OD1 ASN A 90 26.318 52.859 37.805 1.00 11.78 O ATOM 904 ND2 ASN A 90 24.974 53.402 39.497 1.00 11.63 N ATOM 905 HD22 ASN A 90 24.848 53.502 40.524 1.00 0.00 H ATOM 906 HD21 ASN A 90 24.190 53.627 38.852 1.00 0.00 H ATOM 907 H ASN A 90 27.501 50.296 39.006 1.00 0.00 H ATOM 908 N ALA A 91 29.776 51.192 41.137 1.00 11.48 N ATOM 909 CA ALA A 91 30.875 51.099 42.101 1.00 13.04 C ATOM 910 C ALA A 91 32.206 51.021 41.372 1.00 12.33 C ATOM 911 O ALA A 91 33.215 51.527 41.853 1.00 12.39 O ATOM 912 CB ALA A 91 30.686 49.892 42.997 1.00 12.63 C ATOM 913 H ALA A 91 29.075 50.426 41.084 1.00 0.00 H ATOM 914 N TRP A 92 32.209 50.398 40.200 1.00 11.66 N ATOM 915 CA TRP A 92 33.443 50.325 39.418 1.00 13.56 C ATOM 916 C TRP A 92 33.920 51.725 39.028 1.00 13.30 C ATOM 917 O TRP A 92 35.107 52.043 39.157 1.00 15.18 O ATOM 918 CB TRP A 92 33.228 49.432 38.202 1.00 14.21 C ATOM 919 CG TRP A 92 34.442 49.209 37.339 1.00 14.33 C ATOM 920 CD1 TRP A 92 34.565 49.521 36.016 1.00 15.80 C ATOM 921 CD2 TRP A 92 35.697 48.630 37.734 1.00 14.64 C ATOM 922 NE1 TRP A 92 35.808 49.158 35.565 1.00 16.35 N ATOM 923 CE2 TRP A 92 36.527 48.613 36.593 1.00 16.90 C ATOM 924 CE3 TRP A 92 36.196 48.116 38.936 1.00 18.77 C ATOM 925 CZ2 TRP A 92 37.834 48.102 36.614 1.00 17.86 C ATOM 926 CZ3 TRP A 92 37.510 47.612 38.961 1.00 17.86 C ATOM 927 CH2 TRP A 92 38.303 47.604 37.803 1.00 16.66 C ATOM 928 HE1 TRP A 92 36.151 49.279 34.591 1.00 0.00 H ATOM 929 H TRP A 92 31.336 49.963 39.839 1.00 0.00 H ATOM 930 N LEU A 93 32.999 52.564 38.558 1.00 12.92 N ATOM 931 CA LEU A 93 33.347 53.947 38.258 1.00 15.59 C ATOM 932 C LEU A 93 33.743 54.688 39.530 1.00 15.84 C ATOM 933 O LEU A 93 34.705 55.458 39.538 1.00 19.15 O ATOM 934 CB LEU A 93 32.188 54.671 37.566 1.00 16.25 C ATOM 935 CG LEU A 93 32.173 54.597 36.030 1.00 22.52 C ATOM 936 CD1 LEU A 93 32.173 53.166 35.523 1.00 19.55 C ATOM 937 CD2 LEU A 93 30.987 55.377 35.459 1.00 21.78 C ATOM 938 H LEU A 93 32.026 52.231 38.404 1.00 0.00 H ATOM 939 N LEU A 94 33.023 54.428 40.621 1.00 14.95 N ATOM 940 CA LEU A 94 33.232 55.169 41.862 1.00 16.23 C ATOM 941 C LEU A 94 34.639 54.966 42.434 1.00 17.44 C ATOM 942 O LEU A 94 35.267 55.925 42.911 1.00 17.81 O ATOM 943 CB LEU A 94 32.190 54.763 42.903 1.00 15.88 C ATOM 944 CG LEU A 94 32.206 55.493 44.242 1.00 20.62 C ATOM 945 CD1 LEU A 94 31.802 56.942 44.062 1.00 24.21 C ATOM 946 CD2 LEU A 94 31.279 54.788 45.220 1.00 19.71 C ATOM 947 H LEU A 94 32.298 53.683 40.588 1.00 0.00 H ATOM 948 N ILE A 95 35.148 53.740 42.380 1.00 15.11 N ATOM 949 CA ILE A 95 36.430 53.471 43.024 1.00 16.00 C ATOM 950 C ILE A 95 37.577 54.044 42.194 1.00 19.98 C ATOM 951 O ILE A 95 38.722 54.056 42.657 1.00 23.46 O ATOM 952 CB ILE A 95 36.671 51.963 43.313 1.00 16.00 C ATOM 953 CG1 ILE A 95 36.845 51.166 42.022 1.00 15.78 C ATOM 954 CG2 ILE A 95 35.561 51.383 44.205 1.00 14.87 C ATOM 955 CD1 ILE A 95 37.292 49.757 42.257 1.00 16.96 C ATOM 956 H ILE A 95 34.639 52.981 41.884 1.00 0.00 H ATOM 957 N HIS A 96 37.281 54.500 40.969 1.00 17.52 N ATOM 958 CA HIS A 96 38.294 55.174 40.165 1.00 21.37 C ATOM 959 C HIS A 96 38.316 56.679 40.396 1.00 22.70 C ATOM 960 O HIS A 96 39.183 57.373 39.863 1.00 28.24 O ATOM 961 CB HIS A 96 38.134 54.840 38.680 1.00 20.37 C ATOM 962 CG HIS A 96 38.504 53.432 38.348 1.00 22.13 C ATOM 963 ND1 HIS A 96 37.654 52.368 38.559 1.00 19.34 N ATOM 964 CD2 HIS A 96 39.650 52.903 37.859 1.00 30.60 C ATOM 965 CE1 HIS A 96 38.255 51.248 38.206 1.00 20.95 C ATOM 966 NE2 HIS A 96 39.466 51.544 37.772 1.00 33.10 N ATOM 967 H HIS A 96 36.321 54.372 40.589 1.00 0.00 H ATOM 968 N SER A 97 37.379 57.185 41.192 1.00 20.36 N ATOM 969 CA SER A 97 37.356 58.602 41.510 1.00 23.07 C ATOM 970 C SER A 97 38.508 58.946 42.441 1.00 28.05 C ATOM 971 O SER A 97 38.797 58.202 43.379 1.00 26.14 O ATOM 972 CB SER A 97 36.030 58.998 42.156 1.00 32.36 C ATOM 973 OG SER A 97 36.148 60.258 42.793 1.00 32.21 O ATOM 974 HG SER A 97 36.398 60.943 42.123 1.00 0.00 H ATOM 975 H SER A 97 36.653 56.558 41.592 1.00 0.00 H ATOM 976 N PRO A 98 39.184 60.075 42.175 1.00 35.39 N ATOM 977 CA PRO A 98 40.318 60.524 42.991 1.00 32.39 C ATOM 978 C PRO A 98 39.975 60.673 44.471 1.00 26.72 C ATOM 979 O PRO A 98 40.854 60.544 45.318 1.00 31.91 O ATOM 980 CB PRO A 98 40.653 61.892 42.388 1.00 29.38 C ATOM 981 CG PRO A 98 40.245 61.765 40.959 1.00 41.27 C ATOM 982 CD PRO A 98 39.008 60.908 40.969 1.00 37.78 C ATOM 983 N ASP A 99 38.711 60.941 44.771 1.00 21.41 N ATOM 984 CA ASP A 99 38.296 61.170 46.152 1.00 28.16 C ATOM 985 C ASP A 99 37.630 59.962 46.806 1.00 22.15 C ATOM 986 O ASP A 99 37.060 60.086 47.888 1.00 21.52 O ATOM 987 CB ASP A 99 37.346 62.366 46.221 1.00 36.31 C ATOM 988 CG ASP A 99 36.187 62.243 45.249 1.00 53.06 C ATOM 989 OD1 ASP A 99 35.235 61.487 45.547 1.00 63.45 O ATOM 990 OD2 ASP A 99 36.228 62.898 44.184 1.00 59.78 O ATOM 991 H ASP A 99 38.004 60.989 44.010 1.00 0.00 H ATOM 992 N PHE A 100 37.694 58.801 46.165 1.00 22.97 N ATOM 993 CA PHE A 100 37.020 57.630 46.728 1.00 20.11 C ATOM 994 C PHE A 100 37.531 57.254 48.120 1.00 17.96 C ATOM 995 O PHE A 100 36.734 57.020 49.036 1.00 15.83 O ATOM 996 CB PHE A 100 37.120 56.416 45.807 1.00 18.92 C ATOM 997 CG PHE A 100 36.508 55.177 46.399 1.00 17.39 C ATOM 998 CD1 PHE A 100 35.137 55.105 46.598 1.00 16.44 C ATOM 999 CD2 PHE A 100 37.300 54.099 46.773 1.00 18.16 C ATOM 1000 CE1 PHE A 100 34.559 53.968 47.154 1.00 17.39 C ATOM 1001 CE2 PHE A 100 36.727 52.962 47.324 1.00 18.25 C ATOM 1002 CZ PHE A 100 35.356 52.899 47.509 1.00 16.45 C ATOM 1003 H PHE A 100 38.219 58.724 45.270 1.00 0.00 H ATOM 1004 N GLU A 101 38.847 57.165 48.277 1.00 17.55 N ATOM 1005 CA GLU A 101 39.419 56.762 49.557 1.00 17.22 C ATOM 1006 C GLU A 101 38.935 57.707 50.654 1.00 18.86 C ATOM 1007 O GLU A 101 38.538 57.276 51.735 1.00 17.90 O ATOM 1008 CB GLU A 101 40.947 56.731 49.486 1.00 24.34 C ATOM 1009 CG GLU A 101 41.609 56.169 50.730 1.00 20.49 C ATOM 1010 CD GLU A 101 43.122 56.119 50.620 1.00 26.75 C ATOM 1011 OE1 GLU A 101 43.655 56.328 49.508 1.00 28.36 O ATOM 1012 OE2 GLU A 101 43.772 55.857 51.652 1.00 33.31 O ATOM 1013 H GLU A 101 39.476 57.385 47.479 1.00 0.00 H ATOM 1014 N ALA A 102 38.936 59.002 50.366 1.00 18.62 N ATOM 1015 CA ALA A 102 38.484 59.999 51.328 1.00 19.98 C ATOM 1016 C ALA A 102 37.006 59.849 51.651 1.00 19.85 C ATOM 1017 O ALA A 102 36.613 60.081 52.788 1.00 21.38 O ATOM 1018 CB ALA A 102 38.776 61.409 50.817 1.00 21.46 C ATOM 1019 H ALA A 102 39.268 59.313 49.431 1.00 0.00 H ATOM 1020 N SER A 103 36.193 59.453 50.670 1.00 20.08 N ATOM 1021 CA SER A 103 34.757 59.282 50.905 1.00 18.76 C ATOM 1022 C SER A 103 34.508 58.113 51.865 1.00 17.68 C ATOM 1023 O SER A 103 33.664 58.202 52.758 1.00 19.60 O ATOM 1024 CB SER A 103 33.962 59.101 49.588 1.00 20.93 C ATOM 1025 OG SER A 103 34.174 57.824 48.978 1.00 24.93 O ATOM 1026 HG SER A 103 35.135 57.716 48.767 1.00 0.00 H ATOM 1027 H SER A 103 36.584 59.263 49.725 1.00 0.00 H ATOM 1028 N LEU A 104 35.242 57.021 51.677 1.00 16.05 N ATOM 1029 CA LEU A 104 35.115 55.877 52.582 1.00 15.80 C ATOM 1030 C LEU A 104 35.532 56.299 53.978 1.00 18.09 C ATOM 1031 O LEU A 104 34.885 55.918 54.951 1.00 14.94 O ATOM 1032 CB LEU A 104 36.001 54.703 52.158 1.00 17.67 C ATOM 1033 CG LEU A 104 35.553 53.827 51.006 1.00 15.79 C ATOM 1034 CD1 LEU A 104 36.573 52.728 50.830 1.00 17.55 C ATOM 1035 CD2 LEU A 104 34.159 53.255 51.255 1.00 18.99 C ATOM 1036 H LEU A 104 35.911 56.979 50.882 1.00 0.00 H HETATM 1037 N MLY A 105 36.609 57.074 54.090 1.00 15.23 N HETATM 1038 CA MLY A 105 37.098 57.485 55.414 1.00 15.41 C HETATM 1039 C MLY A 105 36.107 58.387 56.138 1.00 16.48 C HETATM 1040 O MLY A 105 35.860 58.215 57.326 1.00 15.92 O HETATM 1041 CB MLY A 105 38.457 58.184 55.314 1.00 17.13 C HETATM 1042 CG MLY A 105 38.994 58.687 56.658 1.00 19.42 C HETATM 1043 CD MLY A 105 40.406 59.229 56.519 1.00 28.47 C HETATM 1044 CE MLY A 105 40.915 59.785 57.845 1.00 39.53 C HETATM 1045 NZ MLY A 105 42.138 60.615 57.659 1.00 53.26 N HETATM 1046 CH2 MLY A 105 43.197 59.709 57.196 1.00 48.96 C HETATM 1047 CH1 MLY A 105 42.526 61.104 58.989 1.00 51.55 C HETATM 1048 HZ MLY A 105 41.985 61.399 56.993 1.00 0.00 H HETATM 1049 H MLY A 105 37.108 57.391 53.234 1.00 0.00 H ATOM 1050 N GLU A 106 35.531 59.332 55.410 1.00 16.86 N ATOM 1051 CA GLU A 106 34.543 60.228 55.977 1.00 18.82 C ATOM 1052 C GLU A 106 33.314 59.469 56.474 1.00 16.09 C ATOM 1053 O GLU A 106 32.841 59.698 57.598 1.00 17.93 O ATOM 1054 CB GLU A 106 34.161 61.271 54.932 1.00 20.99 C ATOM 1055 CG GLU A 106 33.125 62.271 55.375 1.00 36.04 C ATOM 1056 CD GLU A 106 32.755 63.229 54.259 1.00 50.83 C ATOM 1057 OE1 GLU A 106 31.607 63.160 53.768 1.00 53.90 O ATOM 1058 OE2 GLU A 106 33.618 64.045 53.870 1.00 49.93 O ATOM 1059 H GLU A 106 35.794 59.433 54.409 1.00 0.00 H ATOM 1060 N SER A 107 32.809 58.546 55.665 1.00 14.75 N ATOM 1061 CA SER A 107 31.677 57.730 56.093 1.00 15.00 C ATOM 1062 C SER A 107 32.049 56.892 57.314 1.00 15.11 C ATOM 1063 O SER A 107 31.292 56.789 58.269 1.00 16.19 O ATOM 1064 CB SER A 107 31.213 56.806 54.974 1.00 16.69 C ATOM 1065 OG SER A 107 30.722 57.564 53.882 1.00 18.82 O ATOM 1066 HG SER A 107 30.425 56.951 53.164 1.00 0.00 H ATOM 1067 H SER A 107 33.222 58.403 54.721 1.00 0.00 H ATOM 1068 N SER A 108 33.232 56.294 57.275 1.00 12.62 N ATOM 1069 CA SER A 108 33.639 55.425 58.379 1.00 12.60 C ATOM 1070 C SER A 108 33.774 56.222 59.683 1.00 15.14 C ATOM 1071 O SER A 108 33.458 55.723 60.767 1.00 15.29 O ATOM 1072 CB SER A 108 34.929 54.708 58.032 1.00 14.46 C ATOM 1073 OG SER A 108 34.685 53.711 57.047 1.00 16.35 O ATOM 1074 HG SER A 108 34.032 53.055 57.398 1.00 0.00 H ATOM 1075 H SER A 108 33.867 56.442 56.464 1.00 0.00 H ATOM 1076 N GLN A 109 34.229 57.469 59.573 1.00 13.59 N ATOM 1077 CA GLN A 109 34.334 58.357 60.727 1.00 15.67 C ATOM 1078 C GLN A 109 32.993 58.535 61.419 1.00 15.01 C ATOM 1079 O GLN A 109 32.943 58.587 62.651 1.00 16.77 O ATOM 1080 CB GLN A 109 34.934 59.712 60.317 1.00 19.45 C ATOM 1081 CG GLN A 109 36.434 59.629 60.086 1.00 23.18 C ATOM 1082 CD GLN A 109 37.065 60.947 59.687 1.00 37.24 C ATOM 1083 OE1 GLN A 109 36.575 61.640 58.794 1.00 36.25 O ATOM 1084 NE2 GLN A 109 38.166 61.300 60.348 1.00 37.49 N ATOM 1085 HE22 GLN A 109 38.544 60.683 61.095 1.00 0.00 H ATOM 1086 HE21 GLN A 109 38.647 62.192 60.117 1.00 0.00 H ATOM 1087 H GLN A 109 34.518 57.820 58.638 1.00 0.00 H ATOM 1088 N THR A 110 31.903 58.607 60.673 1.00 14.64 N ATOM 1089 CA THR A 110 30.591 58.736 61.306 1.00 16.99 C ATOM 1090 C THR A 110 30.248 57.544 62.194 1.00 17.01 C ATOM 1091 O THR A 110 29.668 57.711 63.266 1.00 19.48 O ATOM 1092 CB THR A 110 29.447 59.025 60.306 1.00 22.56 C ATOM 1093 OG1 THR A 110 29.240 57.890 59.464 1.00 25.17 O ATOM 1094 CG2 THR A 110 29.798 60.227 59.478 1.00 25.82 C ATOM 1095 HG1 THR A 110 30.072 57.696 58.963 1.00 0.00 H ATOM 1096 H THR A 110 31.979 58.572 59.636 1.00 0.00 H ATOM 1097 N PHE A 111 30.654 56.346 61.786 1.00 16.44 N ATOM 1098 CA PHE A 111 30.399 55.175 62.597 1.00 16.06 C ATOM 1099 C PHE A 111 31.358 55.135 63.777 1.00 14.54 C ATOM 1100 O PHE A 111 30.952 54.872 64.910 1.00 15.54 O ATOM 1101 CB PHE A 111 30.563 53.895 61.759 1.00 13.85 C ATOM 1102 CG PHE A 111 30.165 52.647 62.491 1.00 11.91 C ATOM 1103 CD1 PHE A 111 28.827 52.312 62.624 1.00 13.01 C ATOM 1104 CD2 PHE A 111 31.109 51.808 63.056 1.00 13.27 C ATOM 1105 CE1 PHE A 111 28.436 51.158 63.288 1.00 16.08 C ATOM 1106 CE2 PHE A 111 30.716 50.663 63.728 1.00 14.39 C ATOM 1107 CZ PHE A 111 29.375 50.345 63.836 1.00 14.56 C ATOM 1108 H PHE A 111 31.157 56.250 60.881 1.00 0.00 H ATOM 1109 N TRP A 112 32.630 55.392 63.494 1.00 16.39 N ATOM 1110 CA TRP A 112 33.691 55.278 64.488 1.00 17.87 C ATOM 1111 C TRP A 112 33.460 56.232 65.658 1.00 17.52 C ATOM 1112 O TRP A 112 33.758 55.891 66.806 1.00 20.79 O ATOM 1113 CB TRP A 112 35.072 55.499 63.852 1.00 18.10 C ATOM 1114 CG TRP A 112 36.152 55.177 64.797 1.00 20.13 C ATOM 1115 CD1 TRP A 112 36.729 56.028 65.697 1.00 21.44 C ATOM 1116 CD2 TRP A 112 36.748 53.895 65.012 1.00 17.19 C ATOM 1117 NE1 TRP A 112 37.667 55.357 66.442 1.00 23.84 N ATOM 1118 CE2 TRP A 112 37.684 54.042 66.057 1.00 22.23 C ATOM 1119 CE3 TRP A 112 36.585 52.635 64.422 1.00 17.06 C ATOM 1120 CZ2 TRP A 112 38.469 52.983 66.513 1.00 21.93 C ATOM 1121 CZ3 TRP A 112 37.361 51.586 64.877 1.00 21.17 C ATOM 1122 CH2 TRP A 112 38.291 51.767 65.918 1.00 19.67 C ATOM 1123 HE1 TRP A 112 38.267 55.779 67.179 1.00 0.00 H ATOM 1124 H TRP A 112 32.879 55.685 62.528 1.00 0.00 H ATOM 1125 N GLU A 113 32.895 57.401 65.382 1.00 19.11 N ATOM 1126 CA GLU A 113 32.673 58.396 66.435 1.00 24.17 C ATOM 1127 C GLU A 113 31.534 57.998 67.377 1.00 29.64 C ATOM 1128 O GLU A 113 31.420 58.526 68.484 1.00 28.48 O ATOM 1129 CB GLU A 113 32.422 59.771 65.820 1.00 25.53 C ATOM 1130 CG GLU A 113 33.658 60.359 65.139 1.00 33.84 C ATOM 1131 CD GLU A 113 33.357 61.619 64.344 1.00 51.30 C ATOM 1132 OE1 GLU A 113 32.170 62.005 64.255 1.00 57.49 O ATOM 1133 OE2 GLU A 113 34.311 62.221 63.803 1.00 53.43 O ATOM 1134 H GLU A 113 32.606 57.614 64.406 1.00 0.00 H ATOM 1135 N GLY A 114 30.692 57.063 66.950 1.00 20.84 N ATOM 1136 CA GLY A 114 29.636 56.561 67.808 1.00 23.55 C ATOM 1137 C GLY A 114 30.117 55.457 68.736 1.00 23.60 C ATOM 1138 O GLY A 114 29.567 55.242 69.817 1.00 19.33 O ATOM 1139 H GLY A 114 30.792 56.686 65.986 1.00 0.00 H ATOM 1140 N ILE A 115 31.161 54.750 68.331 1.00 19.84 N ATOM 1141 CA ILE A 115 31.650 53.631 69.124 1.00 20.85 C ATOM 1142 C ILE A 115 32.902 54.001 69.904 1.00 23.88 C ATOM 1143 O ILE A 115 33.337 53.268 70.793 1.00 28.87 O ATOM 1144 CB ILE A 115 31.938 52.401 68.245 1.00 23.52 C ATOM 1145 CG1 ILE A 115 33.055 52.748 67.253 1.00 21.95 C ATOM 1146 CG2 ILE A 115 30.645 51.943 67.558 1.00 21.07 C ATOM 1147 CD1 ILE A 115 33.445 51.690 66.267 1.00 31.22 C ATOM 1148 H ILE A 115 31.636 54.996 67.439 1.00 0.00 H ATOM 1149 N ASP A 116 33.474 55.151 69.583 1.00 26.47 N ATOM 1150 CA ASP A 116 34.695 55.604 70.231 1.00 29.54 C ATOM 1151 C ASP A 116 34.449 57.027 70.709 1.00 43.35 C ATOM 1152 O ASP A 116 34.986 57.987 70.155 1.00 32.50 O ATOM 1153 CB ASP A 116 35.873 55.534 69.255 1.00 25.85 C ATOM 1154 CG ASP A 116 37.169 56.017 69.864 1.00 30.36 C ATOM 1155 OD1 ASP A 116 37.237 56.144 71.106 1.00 27.10 O ATOM 1156 OD2 ASP A 116 38.126 56.267 69.102 1.00 25.09 O ATOM 1157 H ASP A 116 33.039 55.746 68.849 1.00 0.00 H ATOM 1158 N ARG A 117 33.612 57.145 71.737 1.00 33.22 N ATOM 1159 CA ARG A 117 33.128 58.436 72.220 1.00 43.94 C ATOM 1160 C ARG A 117 34.224 59.291 72.840 1.00 40.88 C ATOM 1161 O ARG A 117 34.164 60.518 72.786 1.00 49.73 O ATOM 1162 CB ARG A 117 32.011 58.233 73.244 1.00 48.03 C ATOM 1163 CG ARG A 117 30.965 57.231 72.822 1.00 48.09 C ATOM 1164 CD ARG A 117 31.206 55.866 73.452 1.00 45.23 C ATOM 1165 NE ARG A 117 30.548 54.828 72.668 1.00 52.53 N ATOM 1166 CZ ARG A 117 30.345 53.583 73.076 1.00 47.25 C ATOM 1167 NH1 ARG A 117 30.738 53.195 74.286 1.00 34.60 N ATOM 1168 NH2 ARG A 117 29.735 52.729 72.266 1.00 37.57 N ATOM 1169 HE ARG A 117 30.213 55.083 71.717 1.00 0.00 H ATOM 1170 HH12 ARG A 117 30.574 52.216 74.597 1.00 0.00 H ATOM 1171 HH11 ARG A 117 31.209 53.870 74.921 1.00 0.00 H ATOM 1172 HH22 ARG A 117 29.569 51.749 72.573 1.00 0.00 H ATOM 1173 HH21 ARG A 117 29.422 53.039 71.324 1.00 0.00 H ATOM 1174 H ARG A 117 33.289 56.281 72.217 1.00 0.00 H ATOM 1175 N GLU A 118 35.213 58.639 73.437 1.00 38.46 N ATOM 1176 CA GLU A 118 36.332 59.345 74.057 1.00 44.10 C ATOM 1177 C GLU A 118 37.371 59.765 73.022 1.00 49.60 C ATOM 1178 O GLU A 118 38.355 60.421 73.362 1.00 50.63 O ATOM 1179 CB GLU A 118 36.990 58.475 75.130 1.00 48.37 C ATOM 1180 CG GLU A 118 36.052 58.069 76.255 1.00 57.84 C ATOM 1181 CD GLU A 118 36.780 57.409 77.408 1.00 75.49 C ATOM 1182 OE1 GLU A 118 37.228 56.251 77.249 1.00 69.44 O ATOM 1183 OE2 GLU A 118 36.906 58.051 78.473 1.00 84.27 O ATOM 1184 H GLU A 118 35.191 57.600 73.464 1.00 0.00 H HETATM 1185 N MLY A 119 37.140 59.376 71.769 1.00 41.46 N HETATM 1186 CA MLY A 119 38.015 59.719 70.646 1.00 40.04 C HETATM 1187 C MLY A 119 39.436 59.185 70.822 1.00 40.09 C HETATM 1188 O MLY A 119 40.412 59.866 70.504 1.00 37.75 O HETATM 1189 CB MLY A 119 38.013 61.231 70.389 1.00 45.99 C HETATM 1190 CG MLY A 119 36.688 61.746 69.853 1.00 50.55 C HETATM 1191 CD MLY A 119 36.656 63.261 69.751 1.00 67.39 C HETATM 1192 CE MLY A 119 35.604 63.847 70.684 1.00 70.61 C HETATM 1193 NZ MLY A 119 34.851 64.960 70.036 1.00 78.64 N HETATM 1194 CH2 MLY A 119 35.757 66.113 69.959 1.00 65.51 C HETATM 1195 CH1 MLY A 119 33.762 65.332 70.948 1.00 74.09 C HETATM 1196 HZ MLY A 119 34.495 64.686 69.098 1.00 0.00 H HETATM 1197 H MLY A 119 36.296 58.800 71.579 1.00 0.00 H HETATM 1198 N MLY A 120 39.529 57.960 71.334 1.00 38.30 N HETATM 1199 CA MLY A 120 40.798 57.277 71.558 1.00 33.95 C HETATM 1200 C MLY A 120 41.505 56.882 70.253 1.00 31.49 C HETATM 1201 O MLY A 120 42.735 56.848 70.187 1.00 32.07 O HETATM 1202 CB MLY A 120 40.565 56.014 72.387 1.00 36.00 C HETATM 1203 CG MLY A 120 39.804 56.234 73.687 1.00 46.02 C HETATM 1204 CD MLY A 120 39.467 54.904 74.369 1.00 56.82 C HETATM 1205 CE MLY A 120 38.116 54.342 73.913 1.00 59.22 C HETATM 1206 NZ MLY A 120 38.201 53.117 73.051 1.00 44.25 N HETATM 1207 CH2 MLY A 120 36.829 52.615 72.923 1.00 49.47 C HETATM 1208 CH1 MLY A 120 38.937 52.102 73.819 1.00 49.71 C HETATM 1209 HZ MLY A 120 38.648 53.314 72.133 1.00 0.00 H HETATM 1210 H MLY A 120 38.651 57.464 71.588 1.00 0.00 H ATOM 1211 N GLY A 121 40.723 56.556 69.228 1.00 28.01 N ATOM 1212 CA GLY A 121 41.279 56.146 67.946 1.00 24.81 C ATOM 1213 C GLY A 121 41.383 54.634 67.818 1.00 21.12 C ATOM 1214 O GLY A 121 41.836 54.118 66.793 1.00 20.22 O ATOM 1215 H GLY A 121 39.690 56.595 69.345 1.00 0.00 H ATOM 1216 N TYR A 122 40.966 53.916 68.852 1.00 21.81 N ATOM 1217 CA TYR A 122 41.036 52.455 68.845 1.00 20.29 C ATOM 1218 C TYR A 122 39.963 51.872 69.736 1.00 23.97 C ATOM 1219 O TYR A 122 39.334 52.582 70.530 1.00 23.43 O ATOM 1220 CB TYR A 122 42.405 51.971 69.325 1.00 23.21 C ATOM 1221 CG TYR A 122 42.707 52.429 70.739 1.00 27.66 C ATOM 1222 CD1 TYR A 122 42.344 51.659 71.836 1.00 35.62 C ATOM 1223 CD2 TYR A 122 43.330 53.650 70.973 1.00 29.63 C ATOM 1224 CE1 TYR A 122 42.601 52.086 73.131 1.00 45.96 C ATOM 1225 CE2 TYR A 122 43.594 54.086 72.263 1.00 41.11 C ATOM 1226 CZ TYR A 122 43.226 53.300 73.338 1.00 48.21 C ATOM 1227 OH TYR A 122 43.487 53.726 74.624 1.00 46.77 O ATOM 1228 HH TYR A 122 44.463 53.848 74.738 1.00 0.00 H ATOM 1229 H TYR A 122 40.581 54.403 69.686 1.00 0.00 H ATOM 1230 N ILE A 123 39.767 50.567 69.608 1.00 18.54 N ATOM 1231 CA ILE A 123 38.923 49.795 70.520 1.00 19.02 C ATOM 1232 C ILE A 123 39.623 48.469 70.782 1.00 16.49 C ATOM 1233 O ILE A 123 40.590 48.124 70.109 1.00 18.96 O ATOM 1234 CB ILE A 123 37.540 49.514 69.919 1.00 16.81 C ATOM 1235 CG1 ILE A 123 37.669 48.775 68.574 1.00 19.67 C ATOM 1236 CG2 ILE A 123 36.744 50.808 69.748 1.00 21.47 C ATOM 1237 CD1 ILE A 123 36.315 48.529 67.896 1.00 20.06 C ATOM 1238 H ILE A 123 40.235 50.069 68.823 1.00 0.00 H ATOM 1239 N THR A 124 39.163 47.703 71.762 1.00 16.07 N ATOM 1240 CA THR A 124 39.826 46.431 71.991 1.00 14.89 C ATOM 1241 C THR A 124 39.465 45.441 70.884 1.00 15.47 C ATOM 1242 O THR A 124 38.424 45.583 70.231 1.00 16.06 O ATOM 1243 CB THR A 124 39.443 45.808 73.337 1.00 12.89 C ATOM 1244 OG1 THR A 124 38.083 45.389 73.300 1.00 16.51 O ATOM 1245 CG2 THR A 124 39.653 46.795 74.505 1.00 16.29 C ATOM 1246 HG1 THR A 124 37.839 44.987 74.171 1.00 0.00 H ATOM 1247 H THR A 124 38.356 48.002 72.346 1.00 0.00 H HETATM 1248 N MLY A 125 40.307 44.434 70.704 1.00 13.79 N HETATM 1249 CA MLY A 125 40.036 43.395 69.713 1.00 14.26 C HETATM 1250 C MLY A 125 38.751 42.632 70.026 1.00 14.04 C HETATM 1251 O MLY A 125 37.971 42.330 69.121 1.00 14.73 O HETATM 1252 CB MLY A 125 41.227 42.457 69.601 1.00 15.44 C HETATM 1253 CG MLY A 125 41.131 41.503 68.408 1.00 14.21 C HETATM 1254 CD MLY A 125 42.499 41.170 67.895 1.00 18.26 C HETATM 1255 CE MLY A 125 43.219 40.245 68.858 1.00 19.92 C HETATM 1256 NZ MLY A 125 44.675 40.231 68.557 1.00 23.58 N HETATM 1257 CH2 MLY A 125 44.901 39.504 67.300 1.00 26.22 C HETATM 1258 CH1 MLY A 125 45.311 39.447 69.622 1.00 25.38 C HETATM 1259 HZ MLY A 125 45.047 41.200 68.488 1.00 0.00 H HETATM 1260 H MLY A 125 41.174 44.382 71.277 1.00 0.00 H ATOM 1261 N GLU A 126 38.482 42.352 71.297 1.00 14.32 N ATOM 1262 CA GLU A 126 37.234 41.701 71.648 1.00 14.82 C ATOM 1263 C GLU A 126 36.012 42.562 71.337 1.00 16.56 C ATOM 1264 O GLU A 126 35.014 42.053 70.824 1.00 15.45 O ATOM 1265 CB GLU A 126 37.249 41.215 73.106 1.00 19.56 C ATOM 1266 CG GLU A 126 38.208 40.034 73.267 1.00 23.21 C ATOM 1267 CD GLU A 126 38.006 39.264 74.556 1.00 34.97 C ATOM 1268 OE1 GLU A 126 36.996 39.515 75.245 1.00 46.39 O ATOM 1269 OE2 GLU A 126 38.866 38.410 74.872 1.00 27.13 O ATOM 1270 H GLU A 126 39.166 42.600 72.040 1.00 0.00 H ATOM 1271 N GLU A 127 36.096 43.861 71.640 1.00 16.08 N ATOM 1272 CA GLU A 127 35.048 44.822 71.296 1.00 17.79 C ATOM 1273 C GLU A 127 34.857 44.866 69.775 1.00 14.52 C ATOM 1274 O GLU A 127 33.725 44.869 69.296 1.00 16.50 O ATOM 1275 CB GLU A 127 35.382 46.239 71.831 1.00 16.40 C ATOM 1276 CG GLU A 127 35.286 46.441 73.368 1.00 30.44 C ATOM 1277 CD GLU A 127 36.052 47.676 73.950 1.00 41.14 C ATOM 1278 OE1 GLU A 127 36.709 48.483 73.228 1.00 23.13 O ATOM 1279 OE2 GLU A 127 35.993 47.831 75.192 1.00 47.20 O ATOM 1280 H GLU A 127 36.941 44.203 72.141 1.00 0.00 H ATOM 1281 N ALA A 128 35.962 44.916 69.037 1.00 13.15 N ATOM 1282 CA ALA A 128 35.917 44.933 67.565 1.00 12.16 C ATOM 1283 C ALA A 128 35.242 43.692 67.007 1.00 15.81 C ATOM 1284 O ALA A 128 34.528 43.768 65.995 1.00 14.02 O ATOM 1285 CB ALA A 128 37.307 45.071 66.981 1.00 13.55 C ATOM 1286 H ALA A 128 36.886 44.944 69.514 1.00 0.00 H ATOM 1287 N THR A 129 35.473 42.551 67.654 1.00 13.29 N ATOM 1288 CA THR A 129 34.872 41.302 67.215 1.00 14.41 C ATOM 1289 C THR A 129 33.365 41.325 67.419 1.00 13.46 C ATOM 1290 O THR A 129 32.608 41.000 66.503 1.00 12.98 O ATOM 1291 CB THR A 129 35.530 40.100 67.909 1.00 13.95 C ATOM 1292 OG1 THR A 129 36.932 40.175 67.641 1.00 15.51 O ATOM 1293 CG2 THR A 129 34.966 38.807 67.343 1.00 15.22 C ATOM 1294 HG1 THR A 129 37.290 41.025 68.000 1.00 0.00 H ATOM 1295 H THR A 129 36.094 42.553 68.488 1.00 0.00 H HETATM 1296 N MLY A 130 32.917 41.748 68.601 1.00 13.78 N HETATM 1297 CA MLY A 130 31.487 41.855 68.857 1.00 12.72 C HETATM 1298 C MLY A 130 30.814 42.875 67.935 1.00 12.19 C HETATM 1299 O MLY A 130 29.743 42.611 67.374 1.00 13.91 O HETATM 1300 CB MLY A 130 31.242 42.233 70.324 1.00 17.03 C HETATM 1301 CG MLY A 130 31.483 41.059 71.267 1.00 17.63 C HETATM 1302 CD MLY A 130 31.088 41.390 72.695 1.00 35.28 C HETATM 1303 CE MLY A 130 32.032 42.406 73.306 1.00 44.60 C HETATM 1304 NZ MLY A 130 31.741 42.640 74.753 1.00 62.20 N HETATM 1305 CH2 MLY A 130 30.558 43.511 74.820 1.00 41.44 C HETATM 1306 CH1 MLY A 130 32.878 43.401 75.290 1.00 51.39 C HETATM 1307 HZ MLY A 130 31.588 41.752 75.272 1.00 0.00 H HETATM 1308 H MLY A 130 33.595 42.004 69.347 1.00 0.00 H ATOM 1309 N LEU A 131 31.459 44.025 67.748 1.00 12.81 N ATOM 1310 CA LEU A 131 30.895 45.057 66.881 1.00 13.32 C ATOM 1311 C LEU A 131 30.884 44.602 65.423 1.00 12.39 C ATOM 1312 O LEU A 131 29.907 44.834 64.698 1.00 13.48 O ATOM 1313 CB LEU A 131 31.708 46.320 67.024 1.00 15.26 C ATOM 1314 CG LEU A 131 31.108 47.621 66.512 1.00 26.37 C ATOM 1315 CD1 LEU A 131 29.786 47.917 67.200 1.00 29.71 C ATOM 1316 CD2 LEU A 131 32.098 48.699 66.822 1.00 24.84 C ATOM 1317 H LEU A 131 32.370 44.190 68.222 1.00 0.00 H ATOM 1318 N GLY A 132 31.950 43.929 64.987 1.00 11.50 N ATOM 1319 CA GLY A 132 32.002 43.411 63.628 1.00 10.90 C ATOM 1320 C GLY A 132 30.910 42.409 63.334 1.00 10.61 C ATOM 1321 O GLY A 132 30.348 42.399 62.240 1.00 11.08 O ATOM 1322 H GLY A 132 32.755 43.772 65.627 1.00 0.00 H ATOM 1323 N ILE A 133 30.609 41.553 64.296 1.00 11.77 N ATOM 1324 CA ILE A 133 29.526 40.603 64.134 1.00 11.67 C ATOM 1325 C ILE A 133 28.201 41.337 63.970 1.00 11.64 C ATOM 1326 O ILE A 133 27.370 40.975 63.123 1.00 13.28 O ATOM 1327 CB ILE A 133 29.512 39.596 65.290 1.00 13.14 C ATOM 1328 CG1 ILE A 133 30.736 38.681 65.142 1.00 13.26 C ATOM 1329 CG2 ILE A 133 28.208 38.806 65.306 1.00 15.02 C ATOM 1330 CD1 ILE A 133 30.991 37.807 66.358 1.00 15.82 C ATOM 1331 H ILE A 133 31.156 41.561 65.180 1.00 0.00 H ATOM 1332 N ARG A 134 28.024 42.410 64.741 1.00 13.23 N ATOM 1333 CA ARG A 134 26.825 43.233 64.629 1.00 14.48 C ATOM 1334 C ARG A 134 26.736 43.921 63.276 1.00 11.51 C ATOM 1335 O ARG A 134 25.665 43.936 62.657 1.00 17.13 O ATOM 1336 CB ARG A 134 26.795 44.279 65.736 1.00 13.15 C ATOM 1337 CG ARG A 134 26.548 43.648 67.109 1.00 16.26 C ATOM 1338 CD ARG A 134 26.751 44.678 68.210 1.00 17.19 C ATOM 1339 NE ARG A 134 25.830 45.811 68.044 1.00 16.33 N ATOM 1340 CZ ARG A 134 26.026 47.013 68.569 1.00 18.08 C ATOM 1341 NH1 ARG A 134 27.111 47.272 69.285 1.00 18.23 N ATOM 1342 NH2 ARG A 134 25.133 47.975 68.346 1.00 17.33 N ATOM 1343 HE ARG A 134 24.970 45.661 67.479 1.00 0.00 H ATOM 1344 HH12 ARG A 134 27.252 48.219 69.691 1.00 0.00 H ATOM 1345 HH11 ARG A 134 27.821 46.528 69.441 1.00 0.00 H ATOM 1346 HH22 ARG A 134 25.276 48.922 68.752 1.00 0.00 H ATOM 1347 HH21 ARG A 134 24.293 47.780 67.765 1.00 0.00 H ATOM 1348 H ARG A 134 28.755 42.665 65.436 1.00 0.00 H ATOM 1349 N VAL A 135 27.849 44.495 62.824 1.00 11.72 N ATOM 1350 CA VAL A 135 27.891 45.227 61.555 1.00 12.02 C ATOM 1351 C VAL A 135 27.599 44.322 60.362 1.00 13.31 C ATOM 1352 O VAL A 135 26.818 44.676 59.462 1.00 14.86 O ATOM 1353 CB VAL A 135 29.261 45.900 61.362 1.00 12.58 C ATOM 1354 CG1 VAL A 135 29.501 46.289 59.897 1.00 12.59 C ATOM 1355 CG2 VAL A 135 29.399 47.112 62.294 1.00 14.12 C ATOM 1356 H VAL A 135 28.718 44.421 63.391 1.00 0.00 H ATOM 1357 N THR A 136 28.221 43.149 60.365 1.00 12.18 N ATOM 1358 CA THR A 136 28.200 42.253 59.211 1.00 12.01 C ATOM 1359 C THR A 136 27.070 41.246 59.252 1.00 13.76 C ATOM 1360 O THR A 136 26.725 40.682 58.210 1.00 15.55 O ATOM 1361 CB THR A 136 29.514 41.474 59.080 1.00 13.16 C ATOM 1362 OG1 THR A 136 29.691 40.621 60.221 1.00 11.99 O ATOM 1363 CG2 THR A 136 30.690 42.422 58.966 1.00 13.74 C ATOM 1364 HG1 THR A 136 29.718 41.172 61.043 1.00 0.00 H ATOM 1365 H THR A 136 28.741 42.858 61.218 1.00 0.00 H HETATM 1366 N MLY A 137 26.497 41.034 60.431 1.00 15.14 N HETATM 1367 CA MLY A 137 25.526 39.970 60.653 1.00 14.73 C HETATM 1368 C MLY A 137 26.109 38.591 60.337 1.00 19.89 C HETATM 1369 O MLY A 137 25.373 37.639 60.059 1.00 21.59 O HETATM 1370 CB MLY A 137 24.215 40.231 59.896 1.00 22.80 C HETATM 1371 CG MLY A 137 23.597 41.594 60.192 1.00 29.72 C HETATM 1372 CD MLY A 137 22.157 41.463 60.676 1.00 49.59 C HETATM 1373 CE MLY A 137 21.290 40.719 59.673 1.00 54.43 C HETATM 1374 NZ MLY A 137 20.621 39.531 60.287 1.00 69.22 N HETATM 1375 CH2 MLY A 137 21.146 38.337 59.611 1.00 58.42 C HETATM 1376 CH1 MLY A 137 19.192 39.616 59.951 1.00 61.78 C HETATM 1377 HZ MLY A 137 20.777 39.494 61.315 1.00 0.00 H HETATM 1378 H MLY A 137 26.751 41.652 61.228 1.00 0.00 H ATOM 1379 N ASP A 138 27.436 38.490 60.397 1.00 14.56 N ATOM 1380 CA ASP A 138 28.125 37.212 60.209 1.00 16.16 C ATOM 1381 C ASP A 138 28.543 36.641 61.561 1.00 14.57 C ATOM 1382 O ASP A 138 29.526 37.082 62.157 1.00 14.86 O ATOM 1383 CB ASP A 138 29.351 37.404 59.308 1.00 15.18 C ATOM 1384 CG ASP A 138 30.026 36.088 58.926 1.00 16.26 C ATOM 1385 OD1 ASP A 138 29.688 35.012 59.492 1.00 16.70 O ATOM 1386 OD2 ASP A 138 30.929 36.146 58.063 1.00 16.64 O ATOM 1387 H ASP A 138 27.999 39.344 60.583 1.00 0.00 H ATOM 1388 N PRO A 139 27.807 35.641 62.057 1.00 16.25 N ATOM 1389 CA PRO A 139 28.167 35.109 63.373 1.00 16.82 C ATOM 1390 C PRO A 139 29.540 34.427 63.386 1.00 16.10 C ATOM 1391 O PRO A 139 30.120 34.237 64.456 1.00 17.84 O ATOM 1392 CB PRO A 139 27.045 34.108 63.666 1.00 19.26 C ATOM 1393 CG PRO A 139 26.546 33.698 62.359 1.00 21.18 C ATOM 1394 CD PRO A 139 26.715 34.881 61.428 1.00 18.08 C ATOM 1395 N ASN A 140 30.062 34.102 62.209 1.00 16.85 N ATOM 1396 CA ASN A 140 31.358 33.444 62.094 1.00 18.04 C ATOM 1397 C ASN A 140 32.498 34.384 61.725 1.00 17.59 C ATOM 1398 O ASN A 140 33.551 33.956 61.257 1.00 15.52 O ATOM 1399 CB ASN A 140 31.269 32.314 61.071 1.00 18.76 C ATOM 1400 CG ASN A 140 30.160 31.346 61.389 1.00 21.01 C ATOM 1401 OD1 ASN A 140 29.326 31.042 60.542 1.00 29.63 O ATOM 1402 ND2 ASN A 140 30.137 30.862 62.626 1.00 22.49 N ATOM 1403 HD22 ASN A 140 30.866 31.149 63.310 1.00 0.00 H ATOM 1404 HD21 ASN A 140 29.390 30.196 62.910 1.00 0.00 H ATOM 1405 H ASN A 140 29.530 34.324 61.343 1.00 0.00 H ATOM 1406 N LEU A 141 32.295 35.680 61.929 1.00 14.03 N ATOM 1407 CA LEU A 141 33.307 36.647 61.523 1.00 11.73 C ATOM 1408 C LEU A 141 34.694 36.405 62.124 1.00 12.40 C ATOM 1409 O LEU A 141 35.688 36.628 61.448 1.00 12.40 O ATOM 1410 CB LEU A 141 32.832 38.068 61.840 1.00 12.14 C ATOM 1411 CG LEU A 141 33.664 39.156 61.174 1.00 9.97 C ATOM 1412 CD1 LEU A 141 33.470 39.188 59.681 1.00 14.52 C ATOM 1413 CD2 LEU A 141 33.266 40.515 61.759 1.00 14.54 C ATOM 1414 H LEU A 141 31.415 36.005 62.378 1.00 0.00 H HETATM 1415 N MLY A 142 34.784 35.971 63.386 1.00 13.30 N HETATM 1416 CA MLY A 142 36.088 35.772 64.001 1.00 12.64 C HETATM 1417 C MLY A 142 36.947 34.760 63.221 1.00 13.20 C HETATM 1418 O MLY A 142 38.139 34.971 63.026 1.00 14.06 O HETATM 1419 CB MLY A 142 35.917 35.318 65.449 1.00 14.40 C HETATM 1420 CG MLY A 142 37.189 35.319 66.262 1.00 16.51 C HETATM 1421 CD MLY A 142 36.863 34.935 67.714 1.00 17.20 C HETATM 1422 CE MLY A 142 38.082 34.878 68.611 1.00 22.48 C HETATM 1423 NZ MLY A 142 38.953 33.694 68.327 1.00 23.15 N HETATM 1424 CH2 MLY A 142 38.236 32.455 68.668 1.00 21.88 C HETATM 1425 CH1 MLY A 142 40.112 33.793 69.229 1.00 30.19 C HETATM 1426 HZ MLY A 142 39.226 33.678 67.324 1.00 0.00 H HETATM 1427 H MLY A 142 33.919 35.775 63.930 1.00 0.00 H ATOM 1428 N SER A 143 36.312 33.693 62.749 1.00 13.67 N ATOM 1429 CA SER A 143 37.008 32.620 62.018 1.00 13.87 C ATOM 1430 C SER A 143 37.514 33.038 60.646 1.00 16.96 C ATOM 1431 O SER A 143 38.246 32.282 60.000 1.00 15.10 O ATOM 1432 CB SER A 143 36.099 31.404 61.857 1.00 14.98 C ATOM 1433 OG SER A 143 35.027 31.680 60.976 1.00 18.42 O ATOM 1434 HG SER A 143 34.491 32.431 61.336 1.00 0.00 H ATOM 1435 H SER A 143 35.286 33.612 62.901 1.00 0.00 H ATOM 1436 N THR A 144 37.149 34.236 60.191 1.00 13.12 N ATOM 1437 CA THR A 144 37.684 34.725 58.923 1.00 13.58 C ATOM 1438 C THR A 144 39.150 35.140 59.030 1.00 12.22 C ATOM 1439 O THR A 144 39.798 35.395 58.012 1.00 13.11 O ATOM 1440 CB THR A 144 36.919 35.958 58.371 1.00 14.03 C ATOM 1441 OG1 THR A 144 37.137 37.075 59.255 1.00 14.28 O ATOM 1442 CG2 THR A 144 35.427 35.664 58.179 1.00 15.10 C ATOM 1443 HG1 THR A 144 36.802 36.849 60.159 1.00 0.00 H ATOM 1444 H THR A 144 36.485 34.821 60.737 1.00 0.00 H ATOM 1445 N GLY A 145 39.665 35.257 60.253 1.00 12.42 N ATOM 1446 CA GLY A 145 41.030 35.705 60.434 1.00 13.39 C ATOM 1447 C GLY A 145 41.218 37.208 60.390 1.00 11.52 C ATOM 1448 O GLY A 145 42.325 37.711 60.538 1.00 12.73 O ATOM 1449 H GLY A 145 39.083 35.025 61.083 1.00 0.00 H ATOM 1450 N ILE A 146 40.137 37.947 60.167 1.00 12.54 N ATOM 1451 CA ILE A 146 40.306 39.378 59.933 1.00 13.83 C ATOM 1452 C ILE A 146 40.885 40.138 61.146 1.00 11.58 C ATOM 1453 O ILE A 146 41.654 41.080 60.971 1.00 12.86 O ATOM 1454 CB ILE A 146 39.022 40.019 59.386 1.00 13.38 C ATOM 1455 CG1 ILE A 146 39.342 41.389 58.785 1.00 15.74 C ATOM 1456 CG2 ILE A 146 37.950 40.065 60.456 1.00 14.47 C ATOM 1457 CD1 ILE A 146 38.176 41.999 58.005 1.00 13.56 C ATOM 1458 H ILE A 146 39.191 37.515 60.159 1.00 0.00 H ATOM 1459 N PHE A 147 40.589 39.693 62.360 1.00 12.71 N ATOM 1460 CA PHE A 147 41.113 40.389 63.527 1.00 14.32 C ATOM 1461 C PHE A 147 42.601 40.156 63.731 1.00 14.15 C ATOM 1462 O PHE A 147 43.317 41.058 64.158 1.00 17.03 O ATOM 1463 CB PHE A 147 40.262 40.074 64.757 1.00 12.53 C ATOM 1464 CG PHE A 147 38.849 40.503 64.570 1.00 13.90 C ATOM 1465 CD1 PHE A 147 38.520 41.841 64.698 1.00 13.22 C ATOM 1466 CD2 PHE A 147 37.878 39.610 64.160 1.00 13.30 C ATOM 1467 CE1 PHE A 147 37.233 42.272 64.449 1.00 13.10 C ATOM 1468 CE2 PHE A 147 36.579 40.029 63.930 1.00 14.36 C ATOM 1469 CZ PHE A 147 36.250 41.370 64.072 1.00 14.04 C ATOM 1470 H PHE A 147 39.987 38.853 62.478 1.00 0.00 H ATOM 1471 N GLU A 148 43.073 38.974 63.348 1.00 15.47 N ATOM 1472 CA GLU A 148 44.503 38.689 63.372 1.00 16.98 C ATOM 1473 C GLU A 148 45.223 39.465 62.274 1.00 16.68 C ATOM 1474 O GLU A 148 46.323 39.961 62.461 1.00 18.44 O ATOM 1475 CB GLU A 148 44.754 37.190 63.186 1.00 18.80 C ATOM 1476 CG GLU A 148 43.953 36.298 64.132 1.00 23.63 C ATOM 1477 CD GLU A 148 44.224 36.594 65.591 1.00 38.67 C ATOM 1478 OE1 GLU A 148 45.389 36.451 66.017 1.00 46.62 O ATOM 1479 OE2 GLU A 148 43.275 36.978 66.309 1.00 37.15 O ATOM 1480 H GLU A 148 42.411 38.240 63.026 1.00 0.00 H ATOM 1481 N ALA A 149 44.590 39.585 61.108 1.00 15.35 N ATOM 1482 CA ALA A 149 45.227 40.261 59.988 1.00 16.18 C ATOM 1483 C ALA A 149 45.325 41.774 60.217 1.00 15.69 C ATOM 1484 O ALA A 149 46.274 42.429 59.775 1.00 21.06 O ATOM 1485 CB ALA A 149 44.487 39.935 58.695 1.00 14.89 C ATOM 1486 H ALA A 149 43.633 39.193 60.997 1.00 0.00 H ATOM 1487 N MET A 150 44.336 42.330 60.912 1.00 16.77 N ATOM 1488 CA MET A 150 44.373 43.743 61.265 1.00 16.48 C ATOM 1489 C MET A 150 45.390 44.027 62.366 1.00 19.57 C ATOM 1490 O MET A 150 46.198 44.940 62.244 1.00 24.47 O ATOM 1491 CB MET A 150 42.993 44.240 61.697 1.00 16.73 C ATOM 1492 CG MET A 150 42.029 44.396 60.540 1.00 14.02 C ATOM 1493 SD MET A 150 40.533 45.247 61.100 1.00 15.63 S ATOM 1494 CE MET A 150 39.883 43.983 62.183 1.00 17.41 C ATOM 1495 H MET A 150 43.526 41.748 61.207 1.00 0.00 H ATOM 1496 N ASP A 151 45.340 43.229 63.428 1.00 17.80 N ATOM 1497 CA ASP A 151 46.230 43.388 64.585 1.00 22.74 C ATOM 1498 C ASP A 151 47.465 42.505 64.414 1.00 21.54 C ATOM 1499 O ASP A 151 47.679 41.560 65.174 1.00 23.69 O ATOM 1500 CB ASP A 151 45.484 43.028 65.873 1.00 18.10 C ATOM 1501 CG ASP A 151 46.311 43.268 67.123 1.00 20.35 C ATOM 1502 OD1 ASP A 151 47.272 44.075 67.087 1.00 20.95 O ATOM 1503 OD2 ASP A 151 45.976 42.634 68.137 1.00 20.71 O ATOM 1504 H ASP A 151 44.641 42.459 63.440 1.00 0.00 H ATOM 1505 N GLU A 152 48.273 42.809 63.402 1.00 29.84 N ATOM 1506 CA GLU A 152 49.386 41.935 63.034 1.00 33.83 C ATOM 1507 C GLU A 152 50.491 41.872 64.093 1.00 30.88 C ATOM 1508 O GLU A 152 51.315 40.963 64.073 1.00 40.51 O ATOM 1509 CB GLU A 152 49.960 42.318 61.663 1.00 37.10 C ATOM 1510 CG GLU A 152 50.493 43.739 61.565 1.00 40.61 C ATOM 1511 CD GLU A 152 50.995 44.074 60.170 1.00 56.84 C ATOM 1512 OE1 GLU A 152 50.760 43.270 59.239 1.00 57.26 O ATOM 1513 OE2 GLU A 152 51.627 45.141 60.003 1.00 56.13 O ATOM 1514 H GLU A 152 48.110 43.684 62.863 1.00 0.00 H HETATM 1515 N MLY A 153 50.494 42.832 65.017 1.00 26.39 N HETATM 1516 CA MLY A 153 51.487 42.869 66.094 1.00 27.88 C HETATM 1517 C MLY A 153 50.923 42.395 67.433 1.00 29.93 C HETATM 1518 O MLY A 153 51.585 42.516 68.461 1.00 33.29 O HETATM 1519 CB MLY A 153 52.059 44.280 66.247 1.00 29.65 C HETATM 1520 CG MLY A 153 52.746 44.798 64.999 1.00 32.21 C HETATM 1521 CD MLY A 153 53.238 46.227 65.173 1.00 45.51 C HETATM 1522 CE MLY A 153 53.832 46.762 63.874 1.00 59.87 C HETATM 1523 NZ MLY A 153 54.238 48.197 63.946 1.00 64.55 N HETATM 1524 CH2 MLY A 153 53.061 48.963 64.380 1.00 63.05 C HETATM 1525 CH1 MLY A 153 54.520 48.616 62.565 1.00 57.81 C HETATM 1526 HZ MLY A 153 55.048 48.340 64.582 1.00 0.00 H HETATM 1527 H MLY A 153 49.770 43.577 64.973 1.00 0.00 H ATOM 1528 N ASN A 154 49.699 41.874 67.417 1.00 29.90 N ATOM 1529 CA ASN A 154 49.047 41.334 68.615 1.00 29.73 C ATOM 1530 C ASN A 154 48.946 42.282 69.811 1.00 28.79 C ATOM 1531 O ASN A 154 49.133 41.874 70.957 1.00 28.83 O ATOM 1532 CB ASN A 154 49.699 40.014 69.037 1.00 32.72 C ATOM 1533 CG ASN A 154 49.380 38.885 68.090 1.00 45.50 C ATOM 1534 OD1 ASN A 154 48.253 38.767 67.601 1.00 33.28 O ATOM 1535 ND2 ASN A 154 50.372 38.049 67.817 1.00 44.62 N ATOM 1536 HD22 ASN A 154 51.305 38.189 68.254 1.00 0.00 H ATOM 1537 HD21 ASN A 154 50.217 37.253 67.166 1.00 0.00 H ATOM 1538 H ASN A 154 49.181 41.848 66.515 1.00 0.00 H ATOM 1539 N THR A 155 48.631 43.540 69.538 1.00 28.80 N ATOM 1540 CA THR A 155 48.490 44.552 70.571 1.00 26.67 C ATOM 1541 C THR A 155 47.204 44.383 71.371 1.00 23.91 C ATOM 1542 O THR A 155 47.067 44.931 72.472 1.00 23.46 O ATOM 1543 CB THR A 155 48.454 45.952 69.943 1.00 25.48 C ATOM 1544 OG1 THR A 155 47.250 46.084 69.172 1.00 24.49 O ATOM 1545 CG2 THR A 155 49.654 46.155 69.038 1.00 32.14 C ATOM 1546 HG1 THR A 155 47.239 45.396 68.460 1.00 0.00 H ATOM 1547 H THR A 155 48.479 43.813 68.546 1.00 0.00 H ATOM 1548 N GLY A 156 46.255 43.630 70.817 1.00 21.20 N ATOM 1549 CA GLY A 156 44.928 43.525 71.391 1.00 19.97 C ATOM 1550 C GLY A 156 44.061 44.731 71.093 1.00 15.36 C ATOM 1551 O GLY A 156 42.953 44.868 71.606 1.00 17.96 O ATOM 1552 H GLY A 156 46.472 43.102 69.948 1.00 0.00 H ATOM 1553 N ARG A 157 44.591 45.623 70.257 1.00 17.08 N ATOM 1554 CA ARG A 157 43.859 46.806 69.857 1.00 19.76 C ATOM 1555 C ARG A 157 43.514 46.701 68.380 1.00 17.74 C ATOM 1556 O ARG A 157 44.260 46.107 67.601 1.00 20.67 O ATOM 1557 CB ARG A 157 44.705 48.070 70.065 1.00 25.14 C ATOM 1558 CG ARG A 157 45.074 48.400 71.502 1.00 41.27 C ATOM 1559 CD ARG A 157 45.973 49.649 71.563 1.00 52.87 C ATOM 1560 NE ARG A 157 47.199 49.503 70.770 1.00 67.92 N ATOM 1561 CZ ARG A 157 48.414 49.290 71.275 1.00 52.94 C ATOM 1562 NH1 ARG A 157 48.590 49.199 72.586 1.00 49.91 N ATOM 1563 NH2 ARG A 157 49.461 49.169 70.468 1.00 56.45 N ATOM 1564 HE ARG A 157 47.113 49.571 69.736 1.00 0.00 H ATOM 1565 HH12 ARG A 157 49.541 49.033 72.973 1.00 0.00 H ATOM 1566 HH11 ARG A 157 47.777 49.294 73.228 1.00 0.00 H ATOM 1567 HH22 ARG A 157 50.408 49.003 70.866 1.00 0.00 H ATOM 1568 HH21 ARG A 157 49.335 49.240 69.438 1.00 0.00 H ATOM 1569 H ARG A 157 45.549 45.466 69.885 1.00 0.00 H ATOM 1570 N ILE A 158 42.394 47.309 68.017 1.00 16.58 N ATOM 1571 CA ILE A 158 42.062 47.506 66.608 1.00 15.19 C ATOM 1572 C ILE A 158 41.876 49.002 66.431 1.00 17.18 C ATOM 1573 O ILE A 158 41.037 49.622 67.101 1.00 16.13 O ATOM 1574 CB ILE A 158 40.765 46.779 66.213 1.00 18.77 C ATOM 1575 CG1 ILE A 158 40.925 45.255 66.365 1.00 18.18 C ATOM 1576 CG2 ILE A 158 40.369 47.132 64.780 1.00 17.61 C ATOM 1577 CD1 ILE A 158 42.009 44.638 65.485 1.00 21.24 C ATOM 1578 H ILE A 158 41.739 47.652 68.749 1.00 0.00 H ATOM 1579 N THR A 159 42.670 49.592 65.546 1.00 16.62 N ATOM 1580 CA THR A 159 42.597 51.032 65.357 1.00 18.09 C ATOM 1581 C THR A 159 41.627 51.411 64.234 1.00 15.51 C ATOM 1582 O THR A 159 41.261 50.584 63.383 1.00 17.35 O ATOM 1583 CB THR A 159 43.966 51.638 65.037 1.00 19.77 C ATOM 1584 OG1 THR A 159 44.369 51.239 63.720 1.00 18.97 O ATOM 1585 CG2 THR A 159 45.016 51.180 66.039 1.00 21.17 C ATOM 1586 HG1 THR A 159 45.254 51.631 63.514 1.00 0.00 H ATOM 1587 H THR A 159 43.342 49.026 64.990 1.00 0.00 H ATOM 1588 N PHE A 160 41.220 52.666 64.221 1.00 15.00 N ATOM 1589 CA PHE A 160 40.409 53.180 63.131 1.00 14.34 C ATOM 1590 C PHE A 160 41.119 52.928 61.807 1.00 17.60 C ATOM 1591 O PHE A 160 40.514 52.432 60.854 1.00 15.96 O ATOM 1592 CB PHE A 160 40.140 54.675 63.344 1.00 15.15 C ATOM 1593 CG PHE A 160 39.373 55.321 62.234 1.00 17.44 C ATOM 1594 CD1 PHE A 160 38.134 54.837 61.846 1.00 18.64 C ATOM 1595 CD2 PHE A 160 39.877 56.438 61.600 1.00 22.43 C ATOM 1596 CE1 PHE A 160 37.429 55.453 60.825 1.00 17.92 C ATOM 1597 CE2 PHE A 160 39.173 57.052 60.586 1.00 25.31 C ATOM 1598 CZ PHE A 160 37.954 56.563 60.208 1.00 23.27 C ATOM 1599 H PHE A 160 41.484 53.298 65.004 1.00 0.00 H ATOM 1600 N GLU A 161 42.416 53.202 61.753 1.00 15.18 N ATOM 1601 CA GLU A 161 43.199 52.992 60.536 1.00 16.18 C ATOM 1602 C GLU A 161 43.291 51.530 60.100 1.00 17.56 C ATOM 1603 O GLU A 161 43.306 51.249 58.901 1.00 16.70 O ATOM 1604 CB GLU A 161 44.602 53.600 60.675 1.00 18.99 C ATOM 1605 CG GLU A 161 44.627 55.126 60.722 1.00 25.16 C ATOM 1606 CD GLU A 161 44.206 55.695 62.072 1.00 42.36 C ATOM 1607 OE1 GLU A 161 44.195 54.945 63.079 1.00 37.32 O ATOM 1608 OE2 GLU A 161 43.887 56.903 62.124 1.00 47.02 O ATOM 1609 H GLU A 161 42.889 53.577 62.600 1.00 0.00 H ATOM 1610 N ASP A 162 43.350 50.602 61.056 1.00 17.09 N ATOM 1611 CA ASP A 162 43.282 49.175 60.740 1.00 15.25 C ATOM 1612 C ASP A 162 42.022 48.869 59.952 1.00 14.45 C ATOM 1613 O ASP A 162 42.061 48.192 58.931 1.00 13.78 O ATOM 1614 CB ASP A 162 43.244 48.309 62.006 1.00 15.30 C ATOM 1615 CG ASP A 162 44.554 48.295 62.774 1.00 20.81 C ATOM 1616 OD1 ASP A 162 45.635 48.525 62.192 1.00 21.22 O ATOM 1617 OD2 ASP A 162 44.487 48.031 63.993 1.00 22.54 O ATOM 1618 H ASP A 162 43.446 50.899 62.048 1.00 0.00 H ATOM 1619 N THR A 163 40.889 49.377 60.423 1.00 13.57 N ATOM 1620 CA THR A 163 39.616 49.076 59.773 1.00 15.38 C ATOM 1621 C THR A 163 39.527 49.755 58.411 1.00 15.87 C ATOM 1622 O THR A 163 38.973 49.189 57.477 1.00 14.08 O ATOM 1623 CB THR A 163 38.401 49.414 60.662 1.00 13.90 C ATOM 1624 OG1 THR A 163 38.202 50.837 60.738 1.00 16.80 O ATOM 1625 CG2 THR A 163 38.577 48.834 62.069 1.00 15.24 C ATOM 1626 HG1 THR A 163 38.042 51.196 59.829 1.00 0.00 H ATOM 1627 H THR A 163 40.908 49.993 61.260 1.00 0.00 H ATOM 1628 N LEU A 164 40.081 50.954 58.282 1.00 13.41 N ATOM 1629 CA LEU A 164 40.130 51.624 56.984 1.00 13.33 C ATOM 1630 C LEU A 164 40.952 50.847 55.973 1.00 13.81 C ATOM 1631 O LEU A 164 40.571 50.755 54.794 1.00 14.65 O ATOM 1632 CB LEU A 164 40.722 53.028 57.114 1.00 16.32 C ATOM 1633 CG LEU A 164 39.888 54.057 57.875 1.00 19.87 C ATOM 1634 CD1 LEU A 164 40.649 55.376 57.945 1.00 20.36 C ATOM 1635 CD2 LEU A 164 38.514 54.235 57.219 1.00 19.59 C ATOM 1636 H LEU A 164 40.486 51.424 59.117 1.00 0.00 H HETATM 1637 N MLY A 165 42.086 50.304 56.409 1.00 14.79 N HETATM 1638 CA MLY A 165 42.958 49.541 55.523 1.00 14.73 C HETATM 1639 C MLY A 165 42.245 48.282 55.015 1.00 15.29 C HETATM 1640 O MLY A 165 42.304 47.959 53.825 1.00 14.09 O HETATM 1641 CB MLY A 165 44.241 49.165 56.272 1.00 17.24 C HETATM 1642 CG MLY A 165 45.239 48.359 55.456 1.00 21.30 C HETATM 1643 CD MLY A 165 46.555 48.206 56.223 1.00 37.26 C HETATM 1644 CE MLY A 165 46.745 46.789 56.747 1.00 40.90 C HETATM 1645 NZ MLY A 165 47.725 46.724 57.881 1.00 49.78 N HETATM 1646 CH2 MLY A 165 49.053 47.045 57.343 1.00 44.85 C HETATM 1647 CH1 MLY A 165 47.772 45.323 58.328 1.00 48.00 C HETATM 1648 HZ MLY A 165 47.459 47.372 58.650 1.00 0.00 H HETATM 1649 H MLY A 165 42.357 50.427 57.406 1.00 0.00 H ATOM 1650 N ALA A 166 41.541 47.590 55.903 1.00 12.85 N ATOM 1651 CA ALA A 166 40.826 46.381 55.524 1.00 12.66 C ATOM 1652 C ALA A 166 39.716 46.726 54.545 1.00 13.14 C ATOM 1653 O ALA A 166 39.533 46.052 53.520 1.00 12.64 O ATOM 1654 CB ALA A 166 40.255 45.700 56.743 1.00 13.14 C ATOM 1655 H ALA A 166 41.500 47.919 56.889 1.00 0.00 H ATOM 1656 N GLN A 167 39.003 47.807 54.826 1.00 12.06 N ATOM 1657 CA GLN A 167 37.886 48.216 53.999 1.00 12.24 C ATOM 1658 C GLN A 167 38.333 48.705 52.613 1.00 12.38 C ATOM 1659 O GLN A 167 37.658 48.444 51.591 1.00 12.70 O ATOM 1660 CB GLN A 167 37.117 49.292 54.745 1.00 12.15 C ATOM 1661 CG GLN A 167 35.963 49.853 54.001 1.00 12.90 C ATOM 1662 CD GLN A 167 35.241 50.817 54.890 1.00 15.59 C ATOM 1663 OE1 GLN A 167 34.240 50.448 55.511 1.00 14.34 O ATOM 1664 NE2 GLN A 167 35.781 52.039 55.025 1.00 15.36 N ATOM 1665 HE22 GLN A 167 36.626 52.298 54.477 1.00 0.00 H ATOM 1666 HE21 GLN A 167 35.354 52.727 55.678 1.00 0.00 H ATOM 1667 H GLN A 167 39.251 48.376 55.661 1.00 0.00 H ATOM 1668 N LEU A 168 39.464 49.407 52.552 1.00 12.01 N ATOM 1669 CA LEU A 168 39.948 49.909 51.274 1.00 12.71 C ATOM 1670 C LEU A 168 40.383 48.725 50.405 1.00 12.08 C ATOM 1671 O LEU A 168 40.100 48.703 49.200 1.00 13.38 O ATOM 1672 CB LEU A 168 41.082 50.917 51.477 1.00 15.27 C ATOM 1673 CG LEU A 168 41.531 51.567 50.172 1.00 16.04 C ATOM 1674 CD1 LEU A 168 40.391 52.364 49.569 1.00 17.39 C ATOM 1675 CD2 LEU A 168 42.735 52.453 50.468 1.00 22.49 C ATOM 1676 H LEU A 168 40.003 49.597 53.421 1.00 0.00 H ATOM 1677 N PHE A 169 41.046 47.732 51.000 1.00 13.90 N ATOM 1678 CA PHE A 169 41.360 46.495 50.284 1.00 13.24 C ATOM 1679 C PHE A 169 40.092 45.863 49.725 1.00 12.39 C ATOM 1680 O PHE A 169 40.016 45.475 48.549 1.00 12.36 O ATOM 1681 CB PHE A 169 42.079 45.504 51.206 1.00 13.30 C ATOM 1682 CG PHE A 169 42.278 44.133 50.606 1.00 11.82 C ATOM 1683 CD1 PHE A 169 41.267 43.183 50.622 1.00 11.71 C ATOM 1684 CD2 PHE A 169 43.495 43.796 50.014 1.00 15.99 C ATOM 1685 CE1 PHE A 169 41.449 41.920 50.072 1.00 15.89 C ATOM 1686 CE2 PHE A 169 43.682 42.523 49.468 1.00 14.63 C ATOM 1687 CZ PHE A 169 42.660 41.599 49.489 1.00 15.33 C ATOM 1688 H PHE A 169 41.345 47.839 51.990 1.00 0.00 H ATOM 1689 N PHE A 170 39.083 45.729 50.569 1.00 11.25 N ATOM 1690 CA PHE A 170 37.834 45.108 50.151 1.00 11.40 C ATOM 1691 C PHE A 170 37.235 45.826 48.936 1.00 12.30 C ATOM 1692 O PHE A 170 36.797 45.179 47.978 1.00 10.95 O ATOM 1693 CB PHE A 170 36.839 45.079 51.318 1.00 11.23 C ATOM 1694 CG PHE A 170 35.502 44.565 50.917 1.00 10.56 C ATOM 1695 CD1 PHE A 170 35.228 43.218 50.953 1.00 11.25 C ATOM 1696 CD2 PHE A 170 34.519 45.439 50.456 1.00 9.68 C ATOM 1697 CE1 PHE A 170 33.990 42.733 50.537 1.00 10.49 C ATOM 1698 CE2 PHE A 170 33.308 44.958 50.040 1.00 10.18 C ATOM 1699 CZ PHE A 170 33.030 43.608 50.077 1.00 10.22 C ATOM 1700 H PHE A 170 39.183 46.072 51.546 1.00 0.00 H ATOM 1701 N PHE A 171 37.197 47.154 48.973 1.00 11.15 N ATOM 1702 CA PHE A 171 36.533 47.908 47.909 1.00 10.83 C ATOM 1703 C PHE A 171 37.347 48.030 46.632 1.00 13.51 C ATOM 1704 O PHE A 171 36.792 48.355 45.596 1.00 12.95 O ATOM 1705 CB PHE A 171 36.081 49.300 48.386 1.00 11.61 C ATOM 1706 CG PHE A 171 34.703 49.303 48.994 1.00 11.43 C ATOM 1707 CD1 PHE A 171 33.573 49.348 48.182 1.00 12.35 C ATOM 1708 CD2 PHE A 171 34.542 49.253 50.368 1.00 11.98 C ATOM 1709 CE1 PHE A 171 32.293 49.343 48.741 1.00 14.89 C ATOM 1710 CE2 PHE A 171 33.261 49.231 50.933 1.00 13.40 C ATOM 1711 CZ PHE A 171 32.146 49.269 50.113 1.00 12.88 C ATOM 1712 H PHE A 171 37.643 47.661 49.764 1.00 0.00 H ATOM 1713 N THR A 172 38.643 47.732 46.675 1.00 12.30 N ATOM 1714 CA THR A 172 39.496 47.984 45.509 1.00 12.91 C ATOM 1715 C THR A 172 40.301 46.796 44.990 1.00 13.40 C ATOM 1716 O THR A 172 40.572 46.741 43.790 1.00 13.20 O ATOM 1717 CB THR A 172 40.472 49.140 45.745 1.00 12.87 C ATOM 1718 OG1 THR A 172 41.390 48.789 46.787 1.00 15.54 O ATOM 1719 CG2 THR A 172 39.725 50.435 46.116 1.00 16.26 C ATOM 1720 HG1 THR A 172 40.888 48.607 47.620 1.00 0.00 H ATOM 1721 H THR A 172 39.052 47.319 47.538 1.00 0.00 H ATOM 1722 N ASP A 173 40.704 45.863 45.846 1.00 14.00 N ATOM 1723 CA ASP A 173 41.550 44.767 45.376 1.00 13.82 C ATOM 1724 C ASP A 173 40.845 43.893 44.333 1.00 13.59 C ATOM 1725 O ASP A 173 39.651 43.636 44.429 1.00 13.32 O ATOM 1726 CB ASP A 173 42.048 43.920 46.561 1.00 14.48 C ATOM 1727 CG ASP A 173 42.958 42.801 46.109 1.00 13.15 C ATOM 1728 OD1 ASP A 173 44.160 43.101 45.911 1.00 19.88 O ATOM 1729 OD2 ASP A 173 42.478 41.677 45.911 1.00 13.52 O ATOM 1730 H ASP A 173 40.419 45.912 46.845 1.00 0.00 H ATOM 1731 N GLN A 174 41.599 43.435 43.336 1.00 13.30 N ATOM 1732 CA GLN A 174 41.011 42.669 42.246 1.00 13.91 C ATOM 1733 C GLN A 174 41.227 41.175 42.338 1.00 13.93 C ATOM 1734 O GLN A 174 40.333 40.403 42.031 1.00 15.10 O ATOM 1735 CB GLN A 174 41.569 43.155 40.906 1.00 15.94 C ATOM 1736 CG GLN A 174 41.207 44.584 40.593 1.00 15.98 C ATOM 1737 CD GLN A 174 39.702 44.777 40.511 1.00 16.88 C ATOM 1738 OE1 GLN A 174 39.043 44.257 39.618 1.00 17.07 O ATOM 1739 NE2 GLN A 174 39.150 45.502 41.461 1.00 14.53 N ATOM 1740 HE22 GLN A 174 39.743 45.927 42.202 1.00 0.00 H ATOM 1741 HE21 GLN A 174 38.121 45.650 41.471 1.00 0.00 H ATOM 1742 H GLN A 174 42.621 43.627 43.336 1.00 0.00 H ATOM 1743 N ASP A 175 42.413 40.759 42.782 1.00 14.47 N ATOM 1744 CA ASP A 175 42.809 39.363 42.539 1.00 15.37 C ATOM 1745 C ASP A 175 43.231 38.536 43.732 1.00 18.29 C ATOM 1746 O ASP A 175 43.421 37.328 43.601 1.00 18.23 O ATOM 1747 CB ASP A 175 43.901 39.299 41.463 1.00 17.29 C ATOM 1748 CG ASP A 175 43.471 39.951 40.157 1.00 19.06 C ATOM 1749 OD1 ASP A 175 42.405 39.581 39.628 1.00 23.08 O ATOM 1750 OD2 ASP A 175 44.186 40.862 39.711 1.00 30.63 O ATOM 1751 H ASP A 175 43.046 41.409 43.290 1.00 0.00 H ATOM 1752 N ASN A 176 43.358 39.166 44.895 1.00 15.74 N ATOM 1753 CA ASN A 176 43.693 38.408 46.093 1.00 16.13 C ATOM 1754 C ASN A 176 42.434 37.852 46.765 1.00 13.58 C ATOM 1755 O ASN A 176 41.752 38.562 47.515 1.00 16.03 O ATOM 1756 CB ASN A 176 44.497 39.274 47.059 1.00 17.18 C ATOM 1757 CG ASN A 176 44.983 38.497 48.275 1.00 14.48 C ATOM 1758 OD1 ASN A 176 44.442 37.449 48.620 1.00 16.43 O ATOM 1759 ND2 ASN A 176 45.992 39.044 48.953 1.00 18.64 N ATOM 1760 HD22 ASN A 176 46.419 39.933 48.623 1.00 0.00 H ATOM 1761 HD21 ASN A 176 46.352 38.582 49.812 1.00 0.00 H ATOM 1762 H ASN A 176 43.219 40.195 44.950 1.00 0.00 H ATOM 1763 N THR A 177 42.110 36.590 46.500 1.00 13.50 N ATOM 1764 CA THR A 177 40.843 36.037 46.959 1.00 14.63 C ATOM 1765 C THR A 177 40.925 35.376 48.326 1.00 15.69 C ATOM 1766 O THR A 177 39.917 34.977 48.873 1.00 14.94 O ATOM 1767 CB THR A 177 40.236 35.032 45.973 1.00 15.18 C ATOM 1768 OG1 THR A 177 41.047 33.840 45.924 1.00 16.40 O ATOM 1769 CG2 THR A 177 40.127 35.640 44.583 1.00 15.09 C ATOM 1770 HG1 THR A 177 41.962 34.076 45.628 1.00 0.00 H ATOM 1771 H THR A 177 42.767 35.992 45.960 1.00 0.00 H ATOM 1772 N THR A 178 42.119 35.246 48.876 1.00 14.39 N ATOM 1773 CA THR A 178 42.248 34.490 50.112 1.00 13.79 C ATOM 1774 C THR A 178 42.514 35.366 51.346 1.00 13.72 C ATOM 1775 O THR A 178 42.357 34.886 52.480 1.00 15.03 O ATOM 1776 CB THR A 178 43.380 33.444 49.998 1.00 15.93 C ATOM 1777 OG1 THR A 178 44.592 34.126 49.684 1.00 15.51 O ATOM 1778 CG2 THR A 178 43.073 32.376 48.920 1.00 16.27 C ATOM 1779 HG1 THR A 178 44.486 34.606 48.825 1.00 0.00 H ATOM 1780 H THR A 178 42.954 35.678 48.432 1.00 0.00 H ATOM 1781 N HIS A 179 42.931 36.618 51.147 1.00 12.55 N ATOM 1782 CA HIS A 179 43.257 37.491 52.294 1.00 14.45 C ATOM 1783 C HIS A 179 42.040 37.726 53.191 1.00 12.94 C ATOM 1784 O HIS A 179 40.932 37.887 52.690 1.00 12.67 O ATOM 1785 CB HIS A 179 43.786 38.844 51.834 1.00 15.21 C ATOM 1786 CG HIS A 179 44.473 39.613 52.918 1.00 16.83 C ATOM 1787 ND1 HIS A 179 43.794 40.310 53.902 1.00 12.45 N ATOM 1788 CD2 HIS A 179 45.790 39.743 53.205 1.00 22.57 C ATOM 1789 CE1 HIS A 179 44.668 40.861 54.723 1.00 15.37 C ATOM 1790 NE2 HIS A 179 45.885 40.529 54.327 1.00 20.89 N ATOM 1791 H HIS A 179 43.027 36.982 50.178 1.00 0.00 H ATOM 1792 N PRO A 180 42.226 37.726 54.527 1.00 12.71 N ATOM 1793 CA PRO A 180 41.077 37.957 55.411 1.00 10.61 C ATOM 1794 C PRO A 180 40.352 39.304 55.212 1.00 11.93 C ATOM 1795 O PRO A 180 39.185 39.357 55.582 1.00 12.24 O ATOM 1796 CB PRO A 180 41.703 37.883 56.809 1.00 12.82 C ATOM 1797 CG PRO A 180 42.828 36.900 56.608 1.00 13.89 C ATOM 1798 CD PRO A 180 43.401 37.241 55.282 1.00 12.76 C ATOM 1799 N PHE A 181 40.995 40.308 54.626 1.00 11.58 N ATOM 1800 CA PHE A 181 40.332 41.594 54.436 1.00 11.67 C ATOM 1801 C PHE A 181 39.170 41.455 53.445 1.00 13.10 C ATOM 1802 O PHE A 181 38.309 42.332 53.377 1.00 13.02 O ATOM 1803 CB PHE A 181 41.300 42.672 53.963 1.00 14.15 C ATOM 1804 CG PHE A 181 42.316 43.098 54.988 1.00 11.56 C ATOM 1805 CD1 PHE A 181 42.224 42.715 56.319 1.00 14.04 C ATOM 1806 CD2 PHE A 181 43.357 43.931 54.608 1.00 15.68 C ATOM 1807 CE1 PHE A 181 43.179 43.144 57.239 1.00 16.23 C ATOM 1808 CE2 PHE A 181 44.311 44.349 55.513 1.00 16.39 C ATOM 1809 CZ PHE A 181 44.219 43.958 56.839 1.00 15.70 C ATOM 1810 H PHE A 181 41.974 40.177 54.302 1.00 0.00 H ATOM 1811 N ASN A 182 39.125 40.364 52.687 1.00 10.96 N ATOM 1812 CA ASN A 182 37.967 40.061 51.853 1.00 10.27 C ATOM 1813 C ASN A 182 36.672 39.968 52.645 1.00 10.71 C ATOM 1814 O ASN A 182 35.590 40.081 52.066 1.00 11.53 O ATOM 1815 CB ASN A 182 38.173 38.749 51.085 1.00 10.86 C ATOM 1816 CG ASN A 182 39.082 38.917 49.900 1.00 12.45 C ATOM 1817 OD1 ASN A 182 38.739 39.595 48.922 1.00 12.54 O ATOM 1818 ND2 ASN A 182 40.268 38.314 49.972 1.00 13.54 N ATOM 1819 HD22 ASN A 182 40.516 37.754 50.812 1.00 0.00 H ATOM 1820 HD21 ASN A 182 40.945 38.404 49.188 1.00 0.00 H ATOM 1821 H ASN A 182 39.934 39.711 52.689 1.00 0.00 H ATOM 1822 N TYR A 183 36.783 39.754 53.956 1.00 11.26 N ATOM 1823 CA TYR A 183 35.625 39.465 54.779 1.00 10.54 C ATOM 1824 C TYR A 183 35.253 40.615 55.705 1.00 10.13 C ATOM 1825 O TYR A 183 34.518 40.407 56.656 1.00 11.41 O ATOM 1826 CB TYR A 183 35.844 38.151 55.559 1.00 14.41 C ATOM 1827 CG TYR A 183 36.192 37.056 54.580 1.00 13.54 C ATOM 1828 CD1 TYR A 183 35.265 36.654 53.636 1.00 15.90 C ATOM 1829 CD2 TYR A 183 37.471 36.519 54.522 1.00 13.38 C ATOM 1830 CE1 TYR A 183 35.576 35.711 52.677 1.00 18.27 C ATOM 1831 CE2 TYR A 183 37.796 35.547 53.558 1.00 13.47 C ATOM 1832 CZ TYR A 183 36.831 35.158 52.658 1.00 16.20 C ATOM 1833 OH TYR A 183 37.106 34.211 51.679 1.00 20.24 O ATOM 1834 HH TYR A 183 37.376 33.362 52.110 1.00 0.00 H ATOM 1835 H TYR A 183 37.723 39.795 54.399 1.00 0.00 H ATOM 1836 N VAL A 184 35.685 41.823 55.367 1.00 10.94 N ATOM 1837 CA VAL A 184 35.396 42.986 56.208 1.00 10.74 C ATOM 1838 C VAL A 184 33.898 43.270 56.281 1.00 11.78 C ATOM 1839 O VAL A 184 33.443 43.860 57.252 1.00 12.11 O ATOM 1840 CB VAL A 184 36.185 44.218 55.721 1.00 12.27 C ATOM 1841 CG1 VAL A 184 35.543 44.792 54.473 1.00 13.41 C ATOM 1842 CG2 VAL A 184 36.275 45.277 56.833 1.00 12.68 C ATOM 1843 H VAL A 184 36.236 41.945 54.493 1.00 0.00 H ATOM 1844 N ARG A 185 33.125 42.818 55.299 1.00 10.61 N ATOM 1845 CA ARG A 185 31.668 42.934 55.336 1.00 10.00 C ATOM 1846 C ARG A 185 30.982 41.598 55.604 1.00 11.47 C ATOM 1847 O ARG A 185 29.772 41.443 55.395 1.00 12.73 O ATOM 1848 CB ARG A 185 31.136 43.584 54.053 1.00 10.48 C ATOM 1849 CG ARG A 185 31.780 44.937 53.793 1.00 11.06 C ATOM 1850 CD ARG A 185 31.110 45.702 52.688 1.00 11.14 C ATOM 1851 NE ARG A 185 29.814 46.283 53.037 1.00 10.75 N ATOM 1852 CZ ARG A 185 29.671 47.494 53.562 1.00 10.45 C ATOM 1853 NH1 ARG A 185 30.743 48.210 53.879 1.00 10.84 N ATOM 1854 NH2 ARG A 185 28.438 47.957 53.759 1.00 13.31 N ATOM 1855 HE ARG A 185 28.959 45.717 52.865 1.00 0.00 H ATOM 1856 HH12 ARG A 185 30.632 49.159 54.290 1.00 0.00 H ATOM 1857 HH11 ARG A 185 31.694 47.822 53.716 1.00 0.00 H ATOM 1858 HH22 ARG A 185 28.297 48.902 54.169 1.00 0.00 H ATOM 1859 HH21 ARG A 185 27.616 47.373 53.503 1.00 0.00 H ATOM 1860 H ARG A 185 33.572 42.366 54.476 1.00 0.00 H ATOM 1861 N GLY A 186 31.757 40.626 56.093 1.00 9.35 N ATOM 1862 CA GLY A 186 31.223 39.295 56.372 1.00 11.93 C ATOM 1863 C GLY A 186 31.324 38.325 55.187 1.00 10.77 C ATOM 1864 O GLY A 186 31.871 38.647 54.126 1.00 12.04 O ATOM 1865 H GLY A 186 32.762 40.821 56.279 1.00 0.00 H ATOM 1866 N ALA A 187 30.753 37.145 55.358 1.00 12.23 N ATOM 1867 CA ALA A 187 30.808 36.126 54.309 1.00 14.70 C ATOM 1868 C ALA A 187 30.314 36.674 52.964 1.00 12.26 C ATOM 1869 O ALA A 187 29.327 37.393 52.889 1.00 14.20 O ATOM 1870 CB ALA A 187 29.982 34.925 54.725 1.00 16.93 C ATOM 1871 H ALA A 187 30.258 36.938 56.249 1.00 0.00 H ATOM 1872 N LEU A 188 30.996 36.310 51.883 1.00 12.53 N ATOM 1873 CA LEU A 188 30.615 36.767 50.556 1.00 12.05 C ATOM 1874 C LEU A 188 29.362 36.058 50.069 1.00 14.82 C ATOM 1875 O LEU A 188 29.150 34.883 50.359 1.00 17.39 O ATOM 1876 CB LEU A 188 31.741 36.499 49.572 1.00 12.99 C ATOM 1877 CG LEU A 188 33.062 37.165 49.949 1.00 13.83 C ATOM 1878 CD1 LEU A 188 34.143 36.829 48.918 1.00 17.05 C ATOM 1879 CD2 LEU A 188 32.931 38.694 50.088 1.00 13.82 C ATOM 1880 H LEU A 188 31.820 35.685 51.988 1.00 0.00 H ATOM 1881 N VAL A 189 28.530 36.768 49.311 1.00 14.12 N ATOM 1882 CA VAL A 189 27.410 36.121 48.632 1.00 15.40 C ATOM 1883 C VAL A 189 27.909 35.485 47.337 1.00 20.05 C ATOM 1884 O VAL A 189 29.053 35.692 46.946 1.00 17.88 O ATOM 1885 CB VAL A 189 26.257 37.118 48.337 1.00 14.35 C ATOM 1886 CG1 VAL A 189 25.804 37.802 49.638 1.00 16.70 C ATOM 1887 CG2 VAL A 189 26.672 38.139 47.310 1.00 15.45 C ATOM 1888 H VAL A 189 28.678 37.791 49.201 1.00 0.00 H ATOM 1889 N ASP A 190 27.052 34.728 46.665 1.00 20.98 N ATOM 1890 CA ASP A 190 27.457 34.116 45.405 1.00 21.63 C ATOM 1891 C ASP A 190 27.764 35.159 44.338 1.00 24.91 C ATOM 1892 O ASP A 190 27.121 36.214 44.255 1.00 22.65 O ATOM 1893 CB ASP A 190 26.374 33.168 44.895 1.00 25.39 C ATOM 1894 CG ASP A 190 26.205 31.964 45.778 1.00 27.70 C ATOM 1895 OD1 ASP A 190 27.107 31.702 46.611 1.00 27.85 O ATOM 1896 OD2 ASP A 190 25.177 31.268 45.632 1.00 35.88 O ATOM 1897 OXT ASP A 190 28.667 34.962 43.515 1.00 27.33 O ATOM 1898 H ASP A 190 26.093 34.571 47.036 1.00 0.00 H TER 1899 ASP A 190 HETATM 1900 O HOH 1 16.121 63.190 64.930 1.00 35.74 O HETATM 1901 O HOH 2 47.313 47.466 73.260 1.00 29.51 O HETATM 1902 O HOH 3 40.304 37.152 73.637 1.00 45.12 O HETATM 1903 O HOH 4 47.718 36.240 65.772 1.00 46.31 O HETATM 1904 O HOH 5 40.965 36.526 65.868 1.00 21.64 O HETATM 1905 O HOH 6 29.617 50.431 71.547 1.00 34.87 O HETATM 1906 O HOH 7 38.798 32.490 52.160 1.00 27.33 O HETATM 1907 O HOH 8 9.866 52.997 41.086 1.00 28.17 O HETATM 1908 O HOH 9 40.768 33.324 53.621 1.00 22.94 O HETATM 1909 O HOH 10 30.572 33.281 43.035 1.00 34.58 O HETATM 1910 O HOH 11 24.590 67.392 51.722 1.00 18.56 O HETATM 1911 O HOH 12 47.628 38.712 65.072 1.00 30.22 O HETATM 1912 O HOH 13 37.321 35.394 49.010 1.00 21.66 O HETATM 1913 O HOH 14 41.657 40.107 37.154 1.00 34.57 O HETATM 1914 O HOH 15 17.021 61.617 45.240 1.00 41.19 O HETATM 1915 O HOH 16 39.605 33.446 56.217 1.00 17.96 O HETATM 1916 O HOH 17 22.745 56.662 38.611 1.00 21.86 O HETATM 1917 O HOH 18 43.567 34.298 45.204 1.00 24.09 O HETATM 1918 O HOH 19 35.310 51.747 30.356 1.00 40.93 O HETATM 1919 O HOH 20 46.014 54.329 75.316 1.00 36.42 O HETATM 1920 O HOH 21 43.292 42.733 37.997 1.00 33.75 O HETATM 1921 O HOH 22 24.963 68.963 57.086 1.00 36.87 O HETATM 1922 O HOH 23 39.412 29.896 60.482 1.00 16.70 O HETATM 1923 O HOH 24 20.318 54.234 34.782 1.00 16.98 O HETATM 1924 O HOH 25 42.700 35.774 41.508 1.00 29.37 O HETATM 1925 O HOH 26 18.321 42.907 39.745 1.00 19.91 O HETATM 1926 O HOH 27 47.865 40.007 72.463 1.00 27.35 O HETATM 1927 O HOH 28 22.150 66.293 58.498 1.00 17.26 O HETATM 1928 O HOH 29 13.603 43.275 39.743 1.00 23.67 O HETATM 1929 O HOH 30 27.820 57.206 70.573 1.00 32.84 O HETATM 1930 O HOH 31 23.238 45.264 66.547 1.00 20.96 O HETATM 1931 O HOH 32 32.317 33.873 57.426 1.00 19.74 O HETATM 1932 O HOH 33 40.785 53.550 44.394 1.00 44.92 O HETATM 1933 O HOH 34 40.026 36.945 63.298 1.00 15.11 O HETATM 1934 O HOH 35 19.874 64.758 58.347 1.00 16.19 O HETATM 1935 O HOH 36 35.857 45.457 28.000 1.00 37.50 O HETATM 1936 O HOH 37 45.826 53.993 51.731 1.00 47.58 O HETATM 1937 O HOH 38 37.178 44.429 75.743 1.00 23.95 O HETATM 1938 O HOH 39 28.902 32.684 48.490 1.00 24.27 O HETATM 1939 O HOH 40 20.166 62.658 69.209 1.00 30.30 O HETATM 1940 O HOH 41 26.189 69.092 55.003 1.00 41.37 O HETATM 1941 O HOH 42 43.375 50.728 46.410 1.00 36.22 O HETATM 1942 O HOH 43 30.477 32.769 51.645 1.00 27.05 O HETATM 1943 O HOH 44 16.669 47.270 62.947 1.00 38.16 O HETATM 1944 O HOH 45 17.792 63.998 45.313 1.00 37.87 O HETATM 1945 O HOH 46 40.529 43.772 37.270 1.00 24.54 O HETATM 1946 O HOH 47 37.548 40.559 34.353 1.00 43.89 O HETATM 1947 O HOH 48 34.570 32.250 58.235 1.00 25.72 O HETATM 1948 O HOH 49 44.565 36.029 60.081 1.00 22.40 O HETATM 1949 O HOH 50 18.318 54.043 69.118 1.00 18.98 O HETATM 1950 O HOH 51 22.156 43.071 34.179 1.00 14.76 O HETATM 1951 O HOH 52 39.668 41.974 35.069 1.00 38.06 O HETATM 1952 O HOH 53 31.993 44.039 33.757 1.00 22.54 O HETATM 1953 O HOH 54 35.432 34.778 44.583 1.00 22.39 O HETATM 1954 O HOH 55 39.076 38.270 67.811 1.00 26.94 O HETATM 1955 O HOH 56 29.169 45.521 70.312 1.00 25.67 O HETATM 1956 O HOH 57 39.040 40.443 77.071 1.00 26.98 O HETATM 1957 O HOH 58 9.179 50.373 43.443 1.00 45.77 O HETATM 1958 O HOH 59 25.625 65.630 47.891 1.00 39.26 O HETATM 1959 O HOH 60 40.542 42.463 73.389 1.00 16.69 O HETATM 1960 O HOH 61 16.506 60.869 63.468 1.00 45.06 O HETATM 1961 O HOH 62 9.864 53.766 66.201 1.00 54.33 O HETATM 1962 O HOH 63 40.689 43.773 33.459 1.00 46.44 O HETATM 1963 O HOH 64 14.998 63.229 53.682 1.00 44.06 O HETATM 1964 O HOH 65 37.898 49.701 76.479 1.00 49.17 O HETATM 1965 O HOH 66 34.703 32.793 50.671 1.00 36.64 O HETATM 1966 O HOH 67 21.142 64.180 66.611 1.00 22.77 O HETATM 1967 O HOH 68 20.472 46.934 69.470 1.00 34.89 O HETATM 1968 O HOH 69 32.697 33.898 52.322 1.00 18.54 O HETATM 1969 O HOH 70 23.557 56.450 72.385 1.00 23.09 O HETATM 1970 O HOH 71 46.237 36.339 43.798 1.00 47.36 O HETATM 1971 O HOH 72 45.625 34.748 46.946 1.00 30.49 O HETATM 1972 O HOH 73 34.030 32.535 64.302 1.00 19.63 O HETATM 1973 O HOH 74 34.633 38.816 73.545 1.00 46.36 O HETATM 1974 O HOH 75 44.146 44.875 42.673 1.00 23.59 O HETATM 1975 O HOH 76 43.126 36.831 69.303 1.00 38.31 O HETATM 1976 O HOH 77 47.418 37.372 51.003 1.00 22.47 O HETATM 1977 O HOH 78 48.531 38.526 61.000 1.00 37.33 O HETATM 1978 O HOH 79 14.683 62.455 51.135 1.00 47.18 O HETATM 1979 O HOH 80 46.545 55.968 52.886 1.00 52.55 O HETATM 1980 O HOH 81 28.329 52.662 35.529 1.00 14.24 O HETATM 1981 O HOH 82 36.842 40.270 78.222 1.00 42.99 O HETATM 1982 O HOH 83 43.276 34.080 67.528 1.00 42.19 O HETATM 1983 O HOH 84 31.582 46.206 71.171 1.00 31.50 O HETATM 1984 O HOH 85 10.882 42.015 41.830 1.00 37.53 O HETATM 1985 O HOH 86 10.715 60.994 59.995 1.00 46.32 O HETATM 1986 O HOH 87 22.380 59.510 72.477 1.00 39.95 O HETATM 1987 O HOH 88 22.582 65.772 42.786 1.00 36.48 O HETATM 1988 O HOH 89 30.543 30.630 49.876 1.00 42.98 O HETATM 1989 O HOH 90 23.220 65.171 65.440 1.00 38.03 O HETATM 1990 O HOH 91 9.777 61.284 47.742 1.00 52.87 O HETATM 1991 O HOH 92 32.318 45.747 73.162 1.00 35.25 O HETATM 1992 O HOH 93 14.268 63.743 65.887 1.00 32.42 O HETATM 1993 O HOH 94 31.048 49.610 73.353 1.00 48.83 O HETATM 1994 O HOH 95 34.799 35.125 42.070 1.00 29.72 O HETATM 1995 O HOH 96 49.456 52.685 72.874 1.00 46.50 O HETATM 1996 O HOH 97 25.947 65.046 38.130 1.00 45.09 O HETATM 1997 O HOH 98 9.584 58.080 36.585 1.00 45.17 O HETATM 1998 O HOH 99 27.006 43.735 34.205 1.00 25.74 O HETATM 1999 O HOH 100 48.251 37.716 71.246 1.00 39.74 O HETATM 2000 O HOH 101 8.865 63.051 54.921 1.00 53.79 O HETATM 2001 O HOH 102 32.294 30.333 58.261 1.00 39.03 O HETATM 2002 O HOH 103 37.300 34.816 40.562 1.00 33.93 O HETATM 2003 O HOH 104 42.063 45.226 34.426 1.00 38.79 O HETATM 2004 O HOH 105 46.245 39.122 36.891 1.00 40.12 O HETATM 2005 O HOH 106 46.887 36.886 59.473 1.00 31.37 O HETATM 2006 O HOH 107 30.550 31.733 56.872 1.00 37.06 O HETATM 2007 O HOH 108 44.135 42.173 36.004 1.00 28.90 O HETATM 2008 O HOH 109 20.916 56.274 72.937 1.00 30.87 O HETATM 2009 O HOH 110 42.310 55.098 41.324 1.00 45.45 O HETATM 2010 O HOH 111 18.548 62.608 71.470 1.00 46.78 O HETATM 2011 O HOH 112 49.940 39.696 47.986 1.00 49.54 O HETATM 2012 O HOH 113 38.994 45.605 28.913 1.00 43.27 O HETATM 2013 O HOH 114 17.377 45.425 65.083 1.00 40.65 O HETATM 2014 O HOH 115 31.855 49.338 71.096 1.00 45.20 O HETATM 2015 O HOH 116 12.158 65.990 55.002 1.00 26.05 O HETATM 2016 O HOH 117 47.599 42.599 43.313 1.00 44.26 O HETATM 2017 O HOH 118 21.560 40.599 37.616 1.00 33.82 O HETATM 2018 O HOH 119 36.693 37.261 70.878 1.00 30.11 O HETATM 2019 O HOH 120 27.618 42.465 71.187 1.00 31.95 O HETATM 2020 O HOH 121 36.459 32.758 55.985 1.00 26.73 O HETATM 2021 O HOH 122 31.147 62.470 37.358 1.00 45.37 O HETATM 2022 O HOH 123 25.641 40.392 68.086 1.00 37.04 O HETATM 2023 O HOH 124 46.415 36.045 70.790 1.00 41.40 O HETATM 2024 O HOH 125 22.080 30.381 48.942 1.00 46.02 O HETATM 2025 O HOH 126 41.622 34.210 72.093 1.00 49.20 O HETATM 2026 O HOH 127 14.276 58.621 65.163 1.00 52.76 O HETATM 2027 O HOH 128 41.263 35.385 37.781 1.00 43.24 O HETATM 2028 O HOH 129 28.796 31.449 53.709 1.00 39.91 O HETATM 2029 O HOH 130 31.855 58.936 37.686 1.00 42.28 O HETATM 2030 O HOH 131 41.507 55.968 29.942 1.00 59.25 O HETATM 2031 O HOH 132 27.592 41.706 39.069 1.00 18.10 O HETATM 2032 O HOH 133 33.122 40.953 53.142 1.00 11.61 O HETATM 2033 O HOH 134 28.229 39.527 54.129 1.00 13.29 O HETATM 2034 O HOH 135 27.618 44.256 52.882 1.00 12.38 O HETATM 2035 O HOH 136 33.266 47.902 55.043 1.00 14.88 O HETATM 2036 O HOH 137 40.008 41.096 46.931 1.00 13.82 O HETATM 2037 O HOH 138 32.158 46.392 57.191 1.00 12.76 O HETATM 2038 O HOH 139 26.098 46.549 52.811 1.00 13.93 O HETATM 2039 O HOH 140 27.491 42.996 55.278 1.00 14.40 O HETATM 2040 O HOH 141 26.278 40.523 52.339 1.00 15.08 O HETATM 2041 O HOH 142 32.702 34.787 65.177 1.00 16.57 O HETATM 2042 O HOH 143 14.711 45.067 47.207 1.00 15.64 O HETATM 2043 O HOH 144 38.297 37.015 39.750 1.00 20.14 O HETATM 2044 O HOH 145 29.507 46.417 56.515 1.00 15.93 O HETATM 2045 O HOH 146 13.144 47.809 46.830 1.00 19.52 O HETATM 2046 O HOH 147 27.467 44.360 36.779 1.00 17.60 O HETATM 2047 O HOH 148 38.465 52.427 53.823 1.00 16.04 O HETATM 2048 O HOH 149 14.523 56.186 43.994 1.00 16.83 O HETATM 2049 O HOH 150 19.460 43.261 55.178 1.00 20.58 O HETATM 2050 O HOH 151 28.093 40.680 68.677 1.00 20.36 O HETATM 2051 O HOH 152 27.899 56.243 51.415 1.00 20.99 O HETATM 2052 O HOH 153 27.379 38.558 56.547 1.00 17.26 O HETATM 2053 O HOH 154 21.176 41.731 45.769 1.00 18.06 O HETATM 2054 O HOH 155 37.983 37.672 36.683 1.00 22.65 O HETATM 2055 O HOH 156 13.723 55.836 58.781 1.00 21.73 O HETATM 2056 O HOH 157 28.148 58.745 50.305 1.00 31.29 O HETATM 2057 O HOH 158 24.475 49.145 54.965 1.00 18.96 O HETATM 2058 O HOH 159 44.305 48.769 52.054 1.00 20.29 O HETATM 2059 O HOH 160 48.847 45.422 65.312 1.00 27.23 O HETATM 2060 O HOH 161 28.829 32.938 58.268 1.00 29.78 O HETATM 2061 O HOH 162 29.201 38.420 69.657 1.00 32.67 O HETATM 2062 O HOH 163 25.157 41.775 56.200 1.00 22.21 O HETATM 2063 O HOH 164 24.753 41.434 39.496 1.00 22.67 O HETATM 2064 O HOH 165 39.599 55.033 53.346 1.00 21.83 O HETATM 2065 O HOH 166 46.121 46.952 65.675 1.00 23.66 O HETATM 2066 O HOH 167 32.926 35.137 68.046 1.00 23.50 O HETATM 2067 O HOH 168 43.672 52.768 54.536 1.00 24.57 O HETATM 2068 O HOH 169 40.686 60.135 48.268 1.00 24.58 O HETATM 2069 O HOH 170 24.886 64.313 57.626 1.00 29.48 O HETATM 2070 O HOH 171 30.269 58.313 47.995 1.00 29.55 O HETATM 2071 O HOH 172 24.193 39.118 52.970 1.00 25.41 O HETATM 2072 O HOH 173 26.481 59.431 53.331 1.00 26.51 O HETATM 2073 O HOH 174 20.133 60.113 42.863 1.00 27.88 O HETATM 2074 O HOH 175 27.205 62.865 58.860 1.00 33.86 O HETATM 2075 O HOH 176 16.974 43.167 56.346 1.00 27.40 O HETATM 2076 O HOH 177 44.719 52.931 57.149 1.00 29.19 O HETATM 2077 O HOH 178 23.436 37.741 41.625 1.00 32.68 O HETATM 2078 O HOH 179 28.229 59.915 64.005 1.00 29.03 O HETATM 2079 O HOH 180 13.586 40.815 51.938 1.00 23.72 O HETATM 2080 O HOH 181 31.409 37.643 39.761 1.00 23.70 O HETATM 2081 O HOH 182 17.678 39.815 44.733 1.00 32.94 O HETATM 2082 O HOH 183 44.016 48.784 49.209 1.00 28.82 O HETATM 2083 O HOH 184 28.759 34.354 66.904 1.00 30.76 O HETATM 2084 O HOH 185 42.286 55.068 53.749 1.00 30.95 O HETATM 2085 O HOH 186 24.763 46.533 55.323 1.00 25.11 O HETATM 2086 O HOH 187 24.592 36.389 44.542 1.00 29.85 O HETATM 2087 O HOH 188 34.255 52.950 61.383 1.00 24.00 O HETATM 2088 O HOH 189 23.400 43.852 64.219 1.00 33.10 O HETATM 2089 O HOH 190 26.361 33.974 51.361 1.00 43.67 O HETATM 2090 O HOH 191 47.191 37.105 45.889 1.00 39.82 O HETATM 2091 O HOH 192 20.712 40.728 55.060 1.00 29.93 O HETATM 2092 O HOH 193 47.807 49.573 63.793 1.00 34.80 O HETATM 2093 O HOH 194 30.182 60.427 43.744 1.00 31.52 O HETATM 2094 O HOH 195 31.587 56.170 49.043 1.00 23.98 O HETATM 2095 O HOH 196 41.921 59.781 52.960 1.00 35.82 O HETATM 2096 O HOH 197 19.805 53.655 55.341 1.00 22.53 O HETATM 2097 O HOH 198 44.890 41.863 43.567 1.00 27.50 O HETATM 2098 O HOH 199 45.504 51.257 52.820 1.00 29.25 O HETATM 2099 O HOH 200 26.624 36.108 53.014 1.00 31.82 O HETATM 2100 O HOH 201 26.422 47.185 57.225 1.00 32.12 O HETATM 2101 O HOH 202 11.506 49.986 46.967 1.00 32.75 O HETATM 2102 O HOH 203 40.726 37.239 39.912 1.00 37.15 O HETATM 2103 O HOH 204 26.736 58.973 66.722 1.00 30.48 O HETATM 2104 O HOH 205 46.821 50.242 60.099 1.00 39.28 O HETATM 2105 O HOH 206 21.045 44.448 56.825 1.00 37.66 O HETATM 2106 O HOH 207 21.407 39.771 52.851 1.00 34.93 O HETATM 2107 O HOH 208 32.417 37.777 69.754 1.00 32.93 O HETATM 2108 O HOH 209 48.164 46.897 63.011 1.00 32.18 O HETATM 2109 O HOH 210 12.352 56.108 46.159 1.00 27.90 O HETATM 2110 O HOH 211 46.879 51.734 63.176 1.00 31.93 O HETATM 2111 O HOH 212 41.127 61.937 53.769 1.00 37.00 O HETATM 2112 O HOH 213 42.846 60.004 50.206 1.00 39.96 O HETATM 2113 O HOH 214 23.333 40.146 55.508 1.00 34.11 O HETATM 2114 O HOH 215 40.664 57.058 46.007 1.00 28.64 O HETATM 2115 O HOH 216 24.248 34.326 47.583 1.00 34.51 O HETATM 2116 O HOH 217 24.359 39.521 64.033 1.00 34.71 O HETATM 2117 O HOH 218 43.689 47.029 47.439 1.00 30.70 O HETATM 2118 O HOH 219 23.449 44.227 56.821 1.00 32.26 O HETATM 2119 O HOH 220 21.950 36.235 49.774 1.00 29.48 O HETATM 2120 O HOH 221 16.495 63.471 37.463 1.00 36.44 O HETATM 2121 O HOH 222 9.068 42.084 48.289 1.00 34.66 O HETATM 2122 O HOH 223 13.365 45.844 55.727 1.00 32.85 O HETATM 2123 O HOH 224 32.681 30.423 63.946 1.00 36.62 O HETATM 2124 O HOH 225 28.246 60.410 68.540 1.00 35.83 O HETATM 2125 O HOH 226 24.841 37.372 64.101 1.00 40.05 O HETATM 2126 O HOH 227 38.419 61.951 54.509 1.00 34.21 O HETATM 2127 O HOH 228 32.768 62.192 58.688 1.00 32.77 O HETATM 2128 O HOH 229 24.217 40.903 65.738 1.00 38.71 O HETATM 2129 O HOH 230 19.951 39.248 42.877 1.00 39.42 O HETATM 2130 O HOH 231 17.569 58.269 51.049 1.00 34.37 O HETATM 2131 O HOH 232 45.244 50.843 48.074 1.00 40.42 O HETATM 2132 O HOH 233 11.283 63.054 39.544 1.00 38.15 O HETATM 2133 O HOH 234 11.572 58.459 47.001 1.00 41.86 O HETATM 2134 O HOH 235 46.788 39.489 44.006 1.00 39.98 O HETATM 2135 O HOH 236 26.598 63.696 55.528 1.00 38.73 O HETATM 2136 O HOH 237 18.872 38.732 56.123 1.00 35.81 O HETATM 2137 O HOH 238 31.131 60.193 52.319 1.00 40.64 O HETATM 2138 O HOH 239 27.115 56.403 60.847 1.00 34.14 O HETATM 2139 O HOH 240 23.844 45.688 59.759 1.00 39.69 O HETATM 2140 O HOH 241 28.054 61.303 53.051 1.00 44.56 O HETATM 2141 O HOH 242 12.260 58.149 44.775 1.00 42.66 O HETATM 2142 O HOH 243 44.868 58.003 71.904 1.00 43.66 O HETATM 2143 O HOH 244 46.823 44.014 52.350 1.00 42.52 O HETATM 2144 O HOH 245 38.018 62.429 56.808 1.00 40.95 O HETATM 2145 O HOH 246 31.418 36.841 37.184 1.00 33.64 O HETATM 2146 O HOH 247 47.754 42.304 51.229 1.00 47.08 O HETATM 2147 O HOH 248 27.874 57.147 53.919 1.00 25.45 O HETATM 2148 O HOH 249 10.999 52.262 47.255 1.00 37.27 O HETATM 2149 O HOH 250 29.415 63.158 43.961 1.00 41.67 O HETATM 2150 O HOH 251 32.368 59.982 41.694 1.00 44.57 O HETATM 2151 O HOH 252 33.855 58.394 39.398 1.00 44.39 O HETATM 2152 O HOH 253 48.800 39.625 51.189 1.00 47.49 O HETATM 2153 O HOH 254 45.309 45.497 46.585 1.00 34.90 O HETATM 2154 O HOH 255 21.179 42.968 63.766 1.00 40.98 O HETATM 2155 O HOH 256 36.132 62.194 40.710 1.00 47.45 O HETATM 2156 O HOH 257 27.962 36.004 68.709 1.00 51.68 O HETATM 2157 O HOH 258 34.514 39.160 71.358 1.00 28.80 O HETATM 2158 O HOH 259 36.638 51.165 58.449 1.00 25.44 O HETATM 2159 O HOH 260 26.478 65.426 43.725 1.00 47.96 O HETATM 2160 O HOH 261 43.577 57.968 54.260 1.00 43.53 O HETATM 2161 O HOH 262 46.899 52.263 56.944 1.00 41.95 O HETATM 2162 O HOH 263 35.209 57.530 37.657 1.00 39.57 O HETATM 2163 O HOH 264 45.788 46.534 52.003 1.00 45.32 O HETATM 2164 O HOH 265 33.700 41.978 35.032 1.00 32.68 O HETATM 2165 O HOH 266 23.993 31.484 43.304 1.00 51.96 O HETATM 2166 O HOH 267 40.626 62.671 48.152 1.00 42.90 O HETATM 2167 O HOH 268 11.477 56.278 62.009 1.00 44.61 O HETATM 2168 O HOH 269 18.447 40.316 40.707 1.00 38.96 O HETATM 2169 O HOH 270 9.832 51.092 45.726 1.00 45.30 O HETATM 2170 O HOH 271 26.331 65.982 58.602 1.00 45.12 O HETATM 2171 O HOH 272 16.125 40.572 56.999 1.00 41.56 O HETATM 2172 O HOH 273 20.588 37.042 42.783 1.00 44.15 O HETATM 2173 O HOH 274 31.412 62.744 61.313 1.00 43.08 O HETATM 2174 O HOH 275 36.108 52.367 60.475 1.00 31.51 O HETATM 2175 O HOH 276 24.176 58.809 63.653 1.00 30.43 O HETATM 2176 O HOH 277 28.411 53.818 65.704 1.00 39.53 O HETATM 2177 O HOH 278 32.409 34.224 36.508 1.00 42.86 O HETATM 2178 O HOH 279 29.443 59.429 70.075 1.00 44.86 O HETATM 2179 O HOH 280 42.636 63.763 55.735 1.00 62.06 O HETATM 2180 O HOH 281 50.284 47.720 65.678 1.00 43.27 O HETATM 2181 O HOH 282 30.851 55.718 51.574 1.00 22.56 O HETATM 2182 O HOH 283 27.767 63.318 38.890 1.00 36.18 O HETATM 2183 O HOH 284 17.242 60.530 53.691 1.00 36.27 O HETATM 2184 O HOH 285 20.158 37.023 56.868 1.00 55.46 O HETATM 2185 O HOH 286 22.288 62.381 72.485 1.00 43.76 O HETATM 2186 O HOH 287 42.703 58.709 62.673 1.00 45.62 O HETATM 2187 O HOH 288 15.722 58.581 42.875 1.00 24.06 O HETATM 2188 O HOH 289 28.300 59.181 57.069 1.00 27.04 O HETATM 2189 O HOH 290 31.566 59.994 46.385 1.00 32.60 O HETATM 2190 O HOH 291 46.253 54.550 64.879 1.00 40.83 O HETATM 2191 O HOH 292 26.207 36.195 56.479 1.00 37.88 O HETATM 2192 O HOH 293 20.409 37.250 51.702 1.00 38.75 O HETATM 2193 O HOH 294 31.322 60.586 39.135 1.00 48.85 O HETATM 2194 O HOH 295 44.420 46.702 58.882 1.00 34.07 O HETATM 2195 O HOH 296 21.283 46.371 55.467 1.00 38.93 O HETATM 2196 O HOH 297 47.984 41.242 55.835 1.00 42.79 O HETATM 2197 O HOH 298 12.832 57.206 60.450 1.00 45.91 O HETATM 2198 O HOH 299 28.002 59.399 54.974 1.00 40.65 O HETATM 2199 O HOH 300 27.089 34.873 71.178 1.00 51.11 O HETATM 2200 O HOH 301 46.239 47.340 60.261 1.00 45.58 O HETATM 2201 O HOH 302 8.450 52.206 48.460 1.00 52.15 O HETATM 2202 O HOH 303 42.974 58.021 42.607 1.00 50.80 O HETATM 2203 O HOH 304 28.408 61.580 50.209 1.00 31.06 O HETATM 2204 O HOH 305 25.378 37.553 68.259 1.00 46.50 O HETATM 2205 O HOH 306 35.583 56.135 73.476 1.00 42.14 O HETATM 2206 O HOH 307 45.139 56.772 67.967 1.00 53.11 O HETATM 2207 O HOH 308 46.957 36.312 68.192 1.00 34.35 O HETATM 2208 O HOH 309 29.210 62.187 63.525 1.00 45.76 O HETATM 2209 O HOH 310 43.403 55.827 65.334 1.00 38.81 O HETATM 2210 O HOH 311 15.258 60.204 50.910 1.00 47.03 O HETATM 2211 O HOH 312 40.351 52.724 30.192 1.00 53.44 O HETATM 2212 O HOH 313 9.123 55.680 53.270 1.00 49.31 O HETATM 2213 O HOH 314 10.304 50.476 49.729 1.00 43.84 O HETATM 2214 O HOH 315 34.497 49.810 72.412 1.00 44.62 O HETATM 2215 O HOH 316 32.432 65.480 40.212 1.00 50.04 O HETATM 2216 O HOH 317 48.793 38.867 44.779 1.00 66.83 O HETATM 2217 O HOH 318 48.544 49.296 61.021 1.00 50.74 O HETATM 2218 O HOH 319 27.185 45.107 56.796 1.00 21.84 O HETATM 2219 C1 OKA A 320 25.664 50.713 57.694 1.00 0.08 C HETATM 2220 C2 OKA A 320 25.682 51.438 59.061 1.00 0.11 C HETATM 2221 C3 OKA A 320 26.862 52.407 59.118 1.00 0.01 C HETATM 2222 C4 OKA A 320 26.843 53.474 58.001 1.00 0.04 C HETATM 2223 C5 OKA A 320 28.111 54.312 58.085 1.00 -0.03 C HETATM 2224 C6 OKA A 320 28.031 55.509 57.135 1.00 -0.03 C HETATM 2225 C7 OKA A 320 26.722 56.298 57.379 1.00 0.06 C HETATM 2226 C8 OKA A 320 25.547 55.342 57.264 1.00 0.14 C HETATM 2227 C9 OKA A 320 24.274 56.037 57.654 1.00 -0.04 C HETATM 2228 C10 OKA A 320 23.167 55.900 56.902 1.00 0.01 C HETATM 2229 C11 OKA A 320 23.137 55.124 55.623 1.00 0.06 C HETATM 2230 C12 OKA A 320 24.382 54.193 55.581 1.00 0.08 C HETATM 2231 C13 OKA A 320 24.613 53.676 54.152 1.00 0.00 C HETATM 2232 C14 OKA A 320 25.825 52.713 54.160 1.00 -0.09 C HETATM 2233 C15 OKA A 320 26.926 53.050 53.487 1.00 -0.07 C HETATM 2234 C16 OKA A 320 28.089 52.100 53.558 1.00 0.08 C HETATM 2235 C17 OKA A 320 28.709 51.677 52.200 1.00 -0.01 C HETATM 2236 C18 OKA A 320 30.227 51.674 52.457 1.00 0.01 C HETATM 2237 C19 OKA A 320 30.348 52.192 53.927 1.00 0.17 C HETATM 2238 C20 OKA A 320 31.563 52.989 54.157 1.00 0.00 C HETATM 2239 C21 OKA A 320 31.603 53.409 55.651 1.00 -0.02 C HETATM 2240 C22 OKA A 320 31.550 52.129 56.481 1.00 0.09 C HETATM 2241 C23 OKA A 320 30.277 51.346 56.119 1.00 0.13 C HETATM 2242 C24 OKA A 320 30.250 50.007 56.928 1.00 0.12 C HETATM 2243 C25 OKA A 320 30.383 50.424 58.375 1.00 -0.01 C HETATM 2244 C26 OKA A 320 31.500 51.345 58.714 1.00 0.12 C HETATM 2245 C27 OKA A 320 32.861 50.614 58.714 1.00 0.09 C HETATM 2246 C28 OKA A 320 32.876 49.611 59.878 1.00 -0.02 C HETATM 2247 C29 OKA A 320 34.234 48.935 60.128 1.00 -0.01 C HETATM 2248 C30 OKA A 320 33.993 47.879 61.248 1.00 0.07 C HETATM 2249 C31 OKA A 320 33.641 48.420 62.613 1.00 -0.02 C HETATM 2250 C32 OKA A 320 33.603 47.316 63.670 1.00 -0.04 C HETATM 2251 C33 OKA A 320 34.773 46.342 63.593 1.00 0.00 C HETATM 2252 C34 OKA A 320 35.062 45.994 62.124 1.00 0.17 C HETATM 2253 C35 OKA A 320 36.452 45.267 62.085 1.00 0.00 C HETATM 2254 C36 OKA A 320 36.616 44.673 60.691 1.00 -0.05 C HETATM 2255 C37 OKA A 320 35.445 43.775 60.413 1.00 -0.03 C HETATM 2256 C38 OKA A 320 34.125 44.496 60.506 1.00 0.05 C HETATM 2257 O13 OKA A 320 33.999 45.124 61.831 1.00 -0.35 O HETATM 2258 H45 OKA A 320 33.304 43.778 60.361 1.00 0.06 H HETATM 2259 H46 OKA A 320 34.075 45.271 59.727 1.00 0.06 H HETATM 2260 H43 OKA A 320 35.450 42.954 61.145 1.00 0.03 H HETATM 2261 H44 OKA A 320 35.550 43.363 59.398 1.00 0.03 H HETATM 2262 H41 OKA A 320 37.549 44.092 60.643 1.00 0.03 H HETATM 2263 H42 OKA A 320 36.649 45.481 59.945 1.00 0.03 H HETATM 2264 H39 OKA A 320 36.480 44.468 62.840 1.00 0.03 H HETATM 2265 H40 OKA A 320 37.259 45.987 62.284 1.00 0.03 H HETATM 2266 O12 OKA A 320 35.219 47.092 61.315 1.00 -0.34 O HETATM 2267 H37 OKA A 320 34.521 45.424 64.144 1.00 0.03 H HETATM 2268 H38 OKA A 320 35.664 46.805 64.041 1.00 0.03 H HETATM 2269 H35 OKA A 320 32.670 46.747 63.542 1.00 0.03 H HETATM 2270 H36 OKA A 320 33.611 47.788 64.663 1.00 0.03 H HETATM 2271 C39 OKA A 320 34.578 49.544 63.055 1.00 -0.06 C HETATM 2272 H47 OKA A 320 34.596 50.330 62.286 1.00 0.02 H HETATM 2273 H48 OKA A 320 35.593 49.143 63.192 1.00 0.02 H HETATM 2274 H49 OKA A 320 34.220 49.968 64.005 1.00 0.02 H HETATM 2275 H34 OKA A 320 32.629 48.845 62.541 1.00 0.03 H HETATM 2276 H33 OKA A 320 33.162 47.231 60.932 1.00 0.06 H HETATM 2277 C40 OKA A 320 34.676 48.199 58.855 1.00 -0.06 C HETATM 2278 H50 OKA A 320 34.851 48.929 58.051 1.00 0.02 H HETATM 2279 H51 OKA A 320 33.889 47.496 58.546 1.00 0.02 H HETATM 2280 H52 OKA A 320 35.605 47.645 59.056 1.00 0.02 H HETATM 2281 H32 OKA A 320 34.992 49.672 60.432 1.00 0.03 H HETATM 2282 H30 OKA A 320 32.137 48.825 59.662 1.00 0.03 H HETATM 2283 H31 OKA A 320 32.586 50.146 60.794 1.00 0.03 H HETATM 2284 O11 OKA A 320 33.871 51.590 58.915 1.00 -0.39 O HETATM 2285 H67 OKA A 320 34.719 51.163 58.954 1.00 0.21 H HETATM 2286 H29 OKA A 320 33.019 50.090 57.760 1.00 0.06 H HETATM 2287 O9 OKA A 320 31.546 52.500 57.862 1.00 -0.35 O HETATM 2288 H28 OKA A 320 31.320 51.704 59.738 1.00 0.08 H HETATM 2289 C41 OKA A 320 29.575 50.016 59.315 1.00 -0.12 C HETATM 2290 H53 OKA A 320 28.755 49.341 59.073 1.00 0.01 H HETATM 2291 H54 OKA A 320 29.721 50.350 60.341 1.00 0.01 H HETATM 2292 O10 OKA A 320 29.101 49.309 56.635 1.00 -0.37 O HETATM 2293 H66 OKA A 320 28.345 49.847 56.837 1.00 0.21 H HETATM 2294 H27 OKA A 320 31.111 49.381 56.653 1.00 0.08 H HETATM 2295 O8 OKA A 320 30.333 50.993 54.746 1.00 -0.34 O HETATM 2296 H26 OKA A 320 29.382 51.949 56.332 1.00 0.07 H HETATM 2297 H25 OKA A 320 32.432 51.508 56.269 1.00 0.06 H HETATM 2298 H23 OKA A 320 30.738 54.047 55.886 1.00 0.03 H HETATM 2299 H24 OKA A 320 32.532 53.958 55.864 1.00 0.03 H HETATM 2300 H21 OKA A 320 31.544 53.886 53.520 1.00 0.03 H HETATM 2301 H22 OKA A 320 32.452 52.387 53.917 1.00 0.03 H HETATM 2302 O7 OKA A 320 29.118 52.831 54.154 1.00 -0.34 O HETATM 2303 H19 OKA A 320 30.746 52.347 51.759 1.00 0.03 H HETATM 2304 H20 OKA A 320 30.640 50.659 52.362 1.00 0.03 H HETATM 2305 H17 OKA A 320 28.449 52.399 51.412 1.00 0.03 H HETATM 2306 H18 OKA A 320 28.361 50.675 51.909 1.00 0.03 H HETATM 2307 H16 OKA A 320 27.809 51.211 54.142 1.00 0.07 H HETATM 2308 H15 OKA A 320 26.980 53.973 52.911 1.00 0.05 H HETATM 2309 H14 OKA A 320 25.779 51.773 54.708 1.00 0.05 H HETATM 2310 C42 OKA A 320 23.416 52.879 53.668 1.00 -0.05 C HETATM 2311 H55 OKA A 320 23.604 52.520 52.645 1.00 0.03 H HETATM 2312 H56 OKA A 320 22.522 53.520 53.673 1.00 0.03 H HETATM 2313 H57 OKA A 320 23.254 52.019 54.334 1.00 0.03 H HETATM 2314 H13 OKA A 320 24.800 54.524 53.477 1.00 0.04 H HETATM 2315 O6 OKA A 320 25.513 54.862 55.920 1.00 -0.41 O HETATM 2316 H12 OKA A 320 24.224 53.350 56.269 1.00 0.07 H HETATM 2317 H10 OKA A 320 23.162 55.816 54.768 1.00 0.07 H HETATM 2318 H11 OKA A 320 22.220 54.519 55.578 1.00 0.07 H HETATM 2319 C43 OKA A 320 21.941 56.616 57.401 1.00 0.02 C HETATM 2320 H58 OKA A 320 22.173 57.122 58.350 1.00 0.07 H HETATM 2321 H59 OKA A 320 21.131 55.889 57.561 1.00 0.07 H HETATM 2322 H60 OKA A 320 21.623 57.361 56.657 1.00 0.07 H HETATM 2323 H9 OKA A 320 24.247 56.655 58.550 1.00 0.04 H HETATM 2324 O4 OKA A 320 25.684 54.294 58.205 1.00 -0.42 O HETATM 2325 O5 OKA A 320 26.645 57.379 56.414 1.00 -0.40 O HETATM 2326 H65 OKA A 320 27.396 57.951 56.520 1.00 0.21 H HETATM 2327 H8 OKA A 320 26.734 56.726 58.392 1.00 0.05 H HETATM 2328 H6 OKA A 320 28.050 55.150 56.096 1.00 0.03 H HETATM 2329 H7 OKA A 320 28.892 56.170 57.311 1.00 0.03 H HETATM 2330 H4 OKA A 320 28.975 53.689 57.809 1.00 0.03 H HETATM 2331 H5 OKA A 320 28.236 54.676 59.115 1.00 0.03 H HETATM 2332 H3 OKA A 320 26.788 52.989 57.015 1.00 0.06 H HETATM 2333 H1 OKA A 320 27.792 51.827 59.029 1.00 0.03 H HETATM 2334 H2 OKA A 320 26.843 52.921 60.090 1.00 0.03 H HETATM 2335 C44 OKA A 320 25.774 50.416 60.185 1.00 -0.03 C HETATM 2336 H61 OKA A 320 24.917 49.729 60.127 1.00 0.02 H HETATM 2337 H62 OKA A 320 25.762 50.935 61.155 1.00 0.02 H HETATM 2338 H63 OKA A 320 26.709 49.845 60.086 1.00 0.02 H HETATM 2339 O3 OKA A 320 24.472 52.168 59.220 1.00 -0.39 O HETATM 2340 H64 OKA A 320 24.395 52.807 58.522 1.00 0.21 H HETATM 2341 O1 OKA A 320 26.715 50.148 57.388 1.00 -0.55 O HETATM 2342 O2 OKA A 320 24.641 50.747 57.005 1.00 -0.55 O CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 12 3 13 24 CONECT 13 12 14 16 CONECT 14 13 15 25 CONECT 15 14 CONECT 16 13 17 CONECT 17 16 18 CONECT 18 17 19 CONECT 19 18 20 CONECT 20 19 21 22 23 CONECT 21 20 CONECT 22 20 CONECT 23 20 CONECT 24 12 CONECT 260 254 261 272 CONECT 261 260 262 264 CONECT 262 261 263 273 CONECT 263 262 CONECT 264 261 265 CONECT 265 264 266 CONECT 266 265 267 CONECT 267 266 268 CONECT 268 267 269 270 271 CONECT 269 268 CONECT 270 268 CONECT 271 268 CONECT 272 260 CONECT 349 339 350 361 CONECT 350 349 351 353 CONECT 351 350 352 362 CONECT 352 351 CONECT 353 350 354 CONECT 354 353 355 CONECT 355 354 356 CONECT 356 355 357 CONECT 357 356 358 359 360 CONECT 358 357 CONECT 359 357 CONECT 360 357 CONECT 361 349 CONECT 449 441 450 461 CONECT 450 449 451 453 CONECT 451 450 452 462 CONECT 452 451 CONECT 453 450 454 CONECT 454 453 455 CONECT 455 454 456 CONECT 456 455 457 CONECT 457 456 458 459 460 CONECT 458 457 CONECT 459 457 CONECT 460 457 CONECT 461 449 CONECT 522 515 523 534 CONECT 523 522 524 526 CONECT 524 523 525 535 CONECT 525 524 CONECT 526 523 527 CONECT 527 526 528 CONECT 528 527 529 CONECT 529 528 530 CONECT 530 529 531 532 533 CONECT 531 530 CONECT 532 530 CONECT 533 530 CONECT 534 522 CONECT 544 537 545 556 CONECT 545 544 546 548 CONECT 546 545 547 557 CONECT 547 546 CONECT 548 545 549 CONECT 549 548 550 CONECT 550 549 551 CONECT 551 550 552 CONECT 552 551 553 554 555 CONECT 553 552 CONECT 554 552 CONECT 555 552 CONECT 556 544 CONECT 740 734 741 752 CONECT 741 740 742 744 CONECT 742 741 743 753 CONECT 743 742 CONECT 744 741 745 CONECT 745 744 746 CONECT 746 745 747 CONECT 747 746 748 CONECT 748 747 749 750 751 CONECT 749 748 CONECT 750 748 CONECT 751 748 CONECT 752 740 CONECT 1037 1030 1038 1049 CONECT 1038 1037 1039 1041 CONECT 1039 1038 1040 1050 CONECT 1040 1039 CONECT 1041 1038 1042 CONECT 1042 1041 1043 CONECT 1043 1042 1044 CONECT 1044 1043 1045 CONECT 1045 1044 1046 1047 1048 CONECT 1046 1045 CONECT 1047 1045 CONECT 1048 1045 CONECT 1049 1037 CONECT 1185 1177 1186 1197 CONECT 1186 1185 1187 1189 CONECT 1187 1186 1188 1198 CONECT 1188 1187 CONECT 1189 1186 1190 CONECT 1190 1189 1191 CONECT 1191 1190 1192 CONECT 1192 1191 1193 CONECT 1193 1192 1194 1195 1196 CONECT 1194 1193 CONECT 1195 1193 CONECT 1196 1193 CONECT 1197 1185 CONECT 1198 1187 1199 1210 CONECT 1199 1198 1200 1202 CONECT 1200 1199 1201 1211 CONECT 1201 1200 CONECT 1202 1199 1203 CONECT 1203 1202 1204 CONECT 1204 1203 1205 CONECT 1205 1204 1206 CONECT 1206 1205 1207 1208 1209 CONECT 1207 1206 CONECT 1208 1206 CONECT 1209 1206 CONECT 1210 1198 CONECT 1248 1241 1249 1260 CONECT 1249 1248 1250 1252 CONECT 1250 1249 1251 1261 CONECT 1251 1250 CONECT 1252 1249 1253 CONECT 1253 1252 1254 CONECT 1254 1253 1255 CONECT 1255 1254 1256 CONECT 1256 1255 1257 1258 1259 CONECT 1257 1256 CONECT 1258 1256 CONECT 1259 1256 CONECT 1260 1248 CONECT 1296 1289 1297 1308 CONECT 1297 1296 1298 1300 CONECT 1298 1297 1299 1309 CONECT 1299 1298 CONECT 1300 1297 1301 CONECT 1301 1300 1302 CONECT 1302 1301 1303 CONECT 1303 1302 1304 CONECT 1304 1303 1305 1306 1307 CONECT 1305 1304 CONECT 1306 1304 CONECT 1307 1304 CONECT 1308 1296 CONECT 1366 1359 1367 1378 CONECT 1367 1366 1368 1370 CONECT 1368 1367 1369 1379 CONECT 1369 1368 CONECT 1370 1367 1371 CONECT 1371 1370 1372 CONECT 1372 1371 1373 CONECT 1373 1372 1374 CONECT 1374 1373 1375 1376 1377 CONECT 1375 1374 CONECT 1376 1374 CONECT 1377 1374 CONECT 1378 1366 CONECT 1415 1408 1416 1427 CONECT 1416 1415 1417 1419 CONECT 1417 1416 1418 1428 CONECT 1418 1417 CONECT 1419 1416 1420 CONECT 1420 1419 1421 CONECT 1421 1420 1422 CONECT 1422 1421 1423 CONECT 1423 1422 1424 1425 1426 CONECT 1424 1423 CONECT 1425 1423 CONECT 1426 1423 CONECT 1427 1415 CONECT 1515 1507 1516 1527 CONECT 1516 1515 1517 1519 CONECT 1517 1516 1518 1528 CONECT 1518 1517 CONECT 1519 1516 1520 CONECT 1520 1519 1521 CONECT 1521 1520 1522 CONECT 1522 1521 1523 CONECT 1523 1522 1524 1525 1526 CONECT 1524 1523 CONECT 1525 1523 CONECT 1526 1523 CONECT 1527 1515 CONECT 1637 1630 1638 1649 CONECT 1638 1637 1639 1641 CONECT 1639 1638 1640 1650 CONECT 1640 1639 CONECT 1641 1638 1642 CONECT 1642 1641 1643 CONECT 1643 1642 1644 CONECT 1644 1643 1645 CONECT 1645 1644 1646 1647 1648 CONECT 1646 1645 CONECT 1647 1645 CONECT 1648 1645 CONECT 1649 1637 CONECT 2219 2220 2341 2342 CONECT 2220 2219 2221 2335 2339 CONECT 2221 2220 2222 2333 2334 CONECT 2222 2221 2223 2324 2332 CONECT 2223 2222 2224 2330 2331 CONECT 2224 2223 2225 2328 2329 CONECT 2225 2224 2226 2325 2327 CONECT 2226 2225 2227 2315 2324 CONECT 2227 2226 2228 2323 CONECT 2228 2227 2229 2319 CONECT 2229 2228 2230 2317 2318 CONECT 2230 2229 2231 2315 2316 CONECT 2231 2230 2232 2310 2314 CONECT 2232 2231 2233 2309 CONECT 2233 2232 2234 2308 CONECT 2234 2233 2235 2302 2307 CONECT 2235 2234 2236 2305 2306 CONECT 2236 2235 2237 2303 2304 CONECT 2237 2236 2238 2295 2302 CONECT 2238 2237 2239 2300 2301 CONECT 2239 2238 2240 2298 2299 CONECT 2240 2239 2241 2287 2297 CONECT 2241 2240 2242 2295 2296 CONECT 2242 2241 2243 2292 2294 CONECT 2243 2242 2244 2289 CONECT 2244 2243 2245 2287 2288 CONECT 2245 2244 2246 2284 2286 CONECT 2246 2245 2247 2282 2283 CONECT 2247 2246 2248 2277 2281 CONECT 2248 2247 2249 2266 2276 CONECT 2249 2248 2250 2271 2275 CONECT 2250 2249 2251 2269 2270 CONECT 2251 2250 2252 2267 2268 CONECT 2252 2251 2253 2257 2266 CONECT 2253 2252 2254 2264 2265 CONECT 2254 2253 2255 2262 2263 CONECT 2255 2254 2256 2260 2261 CONECT 2256 2255 2257 2258 2259 CONECT 2257 2252 2256 CONECT 2258 2256 CONECT 2259 2256 CONECT 2260 2255 CONECT 2261 2255 CONECT 2262 2254 CONECT 2263 2254 CONECT 2264 2253 CONECT 2265 2253 CONECT 2266 2248 2252 CONECT 2267 2251 CONECT 2268 2251 CONECT 2269 2250 CONECT 2270 2250 CONECT 2271 2249 2272 2273 2274 CONECT 2272 2271 CONECT 2273 2271 CONECT 2274 2271 CONECT 2275 2249 CONECT 2276 2248 CONECT 2277 2247 2278 2279 2280 CONECT 2278 2277 CONECT 2279 2277 CONECT 2280 2277 CONECT 2281 2247 CONECT 2282 2246 CONECT 2283 2246 CONECT 2284 2245 2285 CONECT 2285 2284 CONECT 2286 2245 CONECT 2287 2240 2244 CONECT 2288 2244 CONECT 2289 2243 2290 2291 CONECT 2290 2289 CONECT 2291 2289 CONECT 2292 2242 2293 CONECT 2293 2292 CONECT 2294 2242 CONECT 2295 2237 2241 CONECT 2296 2241 CONECT 2297 2240 CONECT 2298 2239 CONECT 2299 2239 CONECT 2300 2238 CONECT 2301 2238 CONECT 2302 2234 2237 CONECT 2303 2236 CONECT 2304 2236 CONECT 2305 2235 CONECT 2306 2235 CONECT 2307 2234 CONECT 2308 2233 CONECT 2309 2232 CONECT 2310 2231 2311 2312 2313 CONECT 2311 2310 CONECT 2312 2310 CONECT 2313 2310 CONECT 2314 2231 CONECT 2315 2226 2230 CONECT 2316 2230 CONECT 2317 2229 CONECT 2318 2229 CONECT 2319 2228 2320 2321 2322 CONECT 2320 2319 CONECT 2321 2319 CONECT 2322 2319 CONECT 2323 2227 CONECT 2324 2222 2226 CONECT 2325 2225 2326 CONECT 2326 2325 CONECT 2327 2225 CONECT 2328 2224 CONECT 2329 2224 CONECT 2330 2223 CONECT 2331 2223 CONECT 2332 2222 CONECT 2333 2221 CONECT 2334 2221 CONECT 2335 2220 2336 2337 2338 CONECT 2336 2335 CONECT 2337 2335 CONECT 2338 2335 CONECT 2339 2220 2340 CONECT 2340 2339 CONECT 2341 2219 CONECT 2342 2219 MASTER 0 0 0 0 0 0 0 0 2341 1 336 15 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: 4wri
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1jk7
RCSB PDB
PDBbind
OKA
1u32
RCSB PDB
PDBbind
OKA
2ie4
RCSB PDB
PDBbind
OKA
Entry Information
PDB ID
4wri
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Okadaic acid binding protein 2-alpha
Ligand Name
OKA
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=0.97nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Chembiochem Vol. 16: pp. 1435-1439
Ligand Properties
Formula
C
4
4
H
6
8
O
1
3
Molecular Weight
805.003
Exact Mass
804.466
No. of atoms
125
No. of bonds
131
Polar Surface Area
182.83
LOGP Value
4.29 (
Computed with XLOGP3
)
5.21 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 7
Canonical SMILES
CC1=C[C@]2(O[C@@H](C1)[C@@H](/C=C/[C@H]1CC[C@]3(O1)CC[C@@H]1[C@@H](O3)[C@H](O)C(=C)[C@H](O1)[C@H](C[C@@H]([C@H]1O[C@@]3(CCCCO3)CC[C@H]1C)C)O)C)O[C@@H](CC[C@H]2O)C[C@](C(=O)O)(O)C
InChI String
InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)/b10-9+/t26-,27-,28+,30+,31+,32+,33-,34+,35-,36-,37+,38+,39-,41-,42+,43-,44-/m1/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):
Q2MHR1
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
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓