Browse entries in the PDBbind-CN Database
HEADER 6R9S_COMPLEX COMPND 6R9S_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 GLY ASN PRO LEU VAL TYR LEU ASP VAL ASP ALA ASN GLY SEQRES 2 A 164 LYS PRO LEU GLY ARG VAL VAL LEU GLU LEU LYS ALA ASP SEQRES 3 A 164 VAL VAL PRO LYS THR ALA GLU ASN PHE ARG ALA LEU CYS SEQRES 4 A 164 THR GLY GLU LYS GLY PHE GLY TYR LYS GLY SER THR PHE SEQRES 5 A 164 HIS ARG VAL ILE PRO SER PHE MET CYS GLN ALA GLY ASP SEQRES 6 A 164 PHE THR ASN HIS ASN GLY THR GLY GLY LYS SER ILE TYR SEQRES 7 A 164 GLY SER ARG PHE PRO ASP GLU ASN PHE THR LEU LYS HIS SEQRES 8 A 164 VAL GLY PRO GLY VAL LEU SER MET ALA ASN ALA GLY PRO SEQRES 9 A 164 ASN THR ASN GLY SER GLN PHE PHE ILE CYS THR ILE LYS SEQRES 10 A 164 THR ASP TRP LEU ASP GLY LYS HIS VAL VAL PHE GLY HIS SEQRES 11 A 164 VAL ILE GLU GLY MET ASP VAL VAL LYS LYS ILE GLU SER SEQRES 12 A 164 PHE GLY SER LYS SER GLY ARG THR SER LYS LYS ILE VAL SEQRES 13 A 164 ILE THR ASP CYS GLY GLN LEU SER HET JVN A 365 27 ATOM 1 N GLY A 44 20.269 13.243 43.895 1.00 11.52 N ATOM 2 CA GLY A 44 20.443 14.239 42.839 1.00 10.94 C ATOM 3 C GLY A 44 19.594 13.974 41.611 1.00 13.38 C ATOM 4 O GLY A 44 18.614 13.232 41.688 1.00 14.22 O ATOM 5 HN3 GLY A 44 20.531 12.305 43.531 1.00 0.00 H ATOM 6 HN2 GLY A 44 19.275 13.233 44.200 1.00 0.00 H ATOM 7 HN1 GLY A 44 20.878 13.486 44.702 1.00 0.00 H ATOM 8 N ASN A 45 19.949 14.579 40.475 1.00 9.80 N ATOM 9 CA ASN A 45 19.181 14.437 39.226 1.00 9.37 C ATOM 10 C ASN A 45 19.445 13.125 38.497 1.00 13.02 C ATOM 11 O ASN A 45 20.597 12.707 38.436 1.00 13.55 O ATOM 12 CB ASN A 45 19.490 15.593 38.281 1.00 7.99 C ATOM 13 CG ASN A 45 18.890 16.908 38.671 1.00 13.70 C ATOM 14 OD1 ASN A 45 17.950 16.989 39.448 1.00 8.97 O ATOM 15 ND2 ASN A 45 19.421 17.974 38.120 1.00 6.89 N ATOM 16 HD22 ASN A 45 20.220 17.876 37.462 1.00 0.00 H ATOM 17 HD21 ASN A 45 19.042 18.917 38.341 1.00 0.00 H ATOM 18 H ASN A 45 20.802 15.174 40.472 1.00 0.00 H ATOM 19 N PRO A 46 18.438 12.487 37.859 1.00 8.64 N ATOM 20 CA PRO A 46 18.741 11.266 37.094 1.00 7.96 C ATOM 21 C PRO A 46 19.526 11.523 35.808 1.00 10.88 C ATOM 22 O PRO A 46 19.471 12.617 35.221 1.00 8.93 O ATOM 23 CB PRO A 46 17.350 10.685 36.750 1.00 9.70 C ATOM 24 CG PRO A 46 16.339 11.539 37.467 1.00 13.66 C ATOM 25 CD PRO A 46 17.008 12.844 37.764 1.00 9.49 C ATOM 26 N LEU A 47 20.261 10.488 35.376 1.00 7.72 N ATOM 27 CA LEU A 47 20.955 10.421 34.101 1.00 7.34 C ATOM 28 C LEU A 47 20.255 9.287 33.372 1.00 11.28 C ATOM 29 O LEU A 47 20.168 8.174 33.923 1.00 10.12 O ATOM 30 CB LEU A 47 22.444 10.016 34.248 1.00 7.30 C ATOM 31 CG LEU A 47 23.478 11.091 34.435 1.00 11.80 C ATOM 32 CD1 LEU A 47 24.859 10.508 34.262 1.00 11.42 C ATOM 33 CD2 LEU A 47 23.251 12.276 33.487 1.00 13.51 C ATOM 34 H LEU A 47 20.341 9.664 36.006 1.00 0.00 H ATOM 35 N VAL A 48 19.730 9.570 32.169 1.00 7.01 N ATOM 36 CA VAL A 48 19.073 8.563 31.326 1.00 6.59 C ATOM 37 C VAL A 48 19.784 8.477 29.988 1.00 12.10 C ATOM 38 O VAL A 48 20.538 9.385 29.634 1.00 11.17 O ATOM 39 CB VAL A 48 17.539 8.682 31.178 1.00 8.99 C ATOM 40 CG1 VAL A 48 16.822 8.448 32.517 1.00 8.64 C ATOM 41 CG2 VAL A 48 17.121 9.998 30.510 1.00 7.75 C ATOM 42 H VAL A 48 19.791 10.547 31.818 1.00 0.00 H ATOM 43 N TYR A 49 19.556 7.394 29.260 1.00 9.17 N ATOM 44 CA TYR A 49 20.199 7.204 27.961 1.00 9.95 C ATOM 45 C TYR A 49 19.225 6.754 26.906 1.00 12.41 C ATOM 46 O TYR A 49 18.230 6.138 27.242 1.00 10.31 O ATOM 47 CB TYR A 49 21.334 6.174 28.074 1.00 10.25 C ATOM 48 CG TYR A 49 20.893 4.756 28.344 1.00 11.01 C ATOM 49 CD1 TYR A 49 20.804 4.270 29.641 1.00 13.26 C ATOM 50 CD2 TYR A 49 20.666 3.864 27.296 1.00 11.57 C ATOM 51 CE1 TYR A 49 20.476 2.939 29.895 1.00 14.82 C ATOM 52 CE2 TYR A 49 20.343 2.533 27.538 1.00 13.47 C ATOM 53 CZ TYR A 49 20.232 2.080 28.840 1.00 19.52 C ATOM 54 OH TYR A 49 19.888 0.781 29.080 1.00 22.54 O ATOM 55 HH TYR A 49 19.854 0.625 30.057 1.00 0.00 H ATOM 56 H TYR A 49 18.907 6.665 29.619 1.00 0.00 H ATOM 57 N LEU A 50 19.549 7.029 25.635 1.00 9.74 N ATOM 58 CA LEU A 50 18.830 6.602 24.445 1.00 8.65 C ATOM 59 C LEU A 50 19.889 6.104 23.465 1.00 11.86 C ATOM 60 O LEU A 50 20.775 6.882 23.071 1.00 10.25 O ATOM 61 CB LEU A 50 18.049 7.767 23.782 1.00 8.27 C ATOM 62 CG LEU A 50 17.196 8.698 24.663 1.00 10.41 C ATOM 63 CD1 LEU A 50 16.666 9.859 23.844 1.00 8.94 C ATOM 64 CD2 LEU A 50 16.018 7.947 25.311 1.00 11.25 C ATOM 65 H LEU A 50 20.401 7.606 25.484 1.00 0.00 H ATOM 66 N ASP A 51 19.840 4.795 23.129 1.00 7.36 N ATOM 67 CA ASP A 51 20.700 4.169 22.123 1.00 7.08 C ATOM 68 C ASP A 51 19.900 4.230 20.855 1.00 11.85 C ATOM 69 O ASP A 51 18.748 3.789 20.816 1.00 12.03 O ATOM 70 CB ASP A 51 21.066 2.725 22.488 1.00 8.69 C ATOM 71 CG ASP A 51 21.974 2.678 23.696 1.00 12.84 C ATOM 72 OD1 ASP A 51 22.643 3.704 23.978 1.00 11.05 O ATOM 73 OD2 ASP A 51 22.008 1.634 24.366 1.00 12.39 O ATOM 74 H ASP A 51 19.146 4.194 23.617 1.00 0.00 H ATOM 75 N VAL A 52 20.432 4.936 19.878 1.00 8.79 N ATOM 76 CA VAL A 52 19.704 5.194 18.642 1.00 8.50 C ATOM 77 C VAL A 52 20.314 4.504 17.413 1.00 14.17 C ATOM 78 O VAL A 52 21.537 4.503 17.248 1.00 14.56 O ATOM 79 CB VAL A 52 19.533 6.725 18.407 1.00 10.88 C ATOM 80 CG1 VAL A 52 18.591 6.978 17.237 1.00 10.94 C ATOM 81 CG2 VAL A 52 18.993 7.431 19.654 1.00 9.38 C ATOM 82 H VAL A 52 21.393 5.318 19.991 1.00 0.00 H ATOM 83 N ASP A 53 19.442 3.975 16.533 1.00 11.28 N ATOM 84 CA ASP A 53 19.784 3.364 15.246 1.00 12.06 C ATOM 85 C ASP A 53 19.240 4.230 14.113 1.00 15.73 C ATOM 86 O ASP A 53 18.225 4.903 14.307 1.00 15.11 O ATOM 87 CB ASP A 53 19.111 1.984 15.121 1.00 14.21 C ATOM 88 CG ASP A 53 19.944 0.778 15.516 1.00 21.57 C ATOM 89 OD1 ASP A 53 20.966 0.963 16.192 1.00 18.05 O ATOM 90 OD2 ASP A 53 19.530 -0.363 15.193 1.00 29.74 O ATOM 91 H ASP A 53 18.435 4.003 16.790 1.00 0.00 H ATOM 92 N ALA A 54 19.872 4.160 12.917 1.00 12.43 N ATOM 93 CA ALA A 54 19.436 4.812 11.677 1.00 12.48 C ATOM 94 C ALA A 54 19.472 3.702 10.638 1.00 16.56 C ATOM 95 O ALA A 54 20.549 3.185 10.349 1.00 15.12 O ATOM 96 CB ALA A 54 20.384 5.939 11.299 1.00 13.32 C ATOM 97 H ALA A 54 20.743 3.594 12.874 1.00 0.00 H ATOM 98 N ASN A 55 18.280 3.230 10.183 1.00 13.17 N ATOM 99 CA ASN A 55 18.151 2.084 9.284 1.00 13.92 C ATOM 100 C ASN A 55 18.913 0.836 9.799 1.00 20.12 C ATOM 101 O ASN A 55 19.712 0.254 9.075 1.00 20.80 O ATOM 102 CB ASN A 55 18.525 2.440 7.833 1.00 15.53 C ATOM 103 CG ASN A 55 17.512 3.292 7.125 1.00 25.24 C ATOM 104 OD1 ASN A 55 16.347 3.383 7.524 1.00 18.12 O ATOM 105 ND2 ASN A 55 17.934 3.925 6.041 1.00 17.80 N ATOM 106 HD22 ASN A 55 18.922 3.826 5.733 1.00 0.00 H ATOM 107 HD21 ASN A 55 17.277 4.521 5.498 1.00 0.00 H ATOM 108 H ASN A 55 17.411 3.711 10.492 1.00 0.00 H ATOM 109 N GLY A 56 18.693 0.484 11.068 1.00 17.52 N ATOM 110 CA GLY A 56 19.281 -0.701 11.695 1.00 17.14 C ATOM 111 C GLY A 56 20.759 -0.638 12.047 1.00 19.43 C ATOM 112 O GLY A 56 21.319 -1.622 12.544 1.00 17.11 O ATOM 113 H GLY A 56 18.069 1.085 11.643 1.00 0.00 H ATOM 114 N LYS A 57 21.413 0.497 11.772 1.00 16.45 N ATOM 115 CA LYS A 57 22.824 0.658 12.107 1.00 16.05 C ATOM 116 C LYS A 57 22.949 1.641 13.267 1.00 18.89 C ATOM 117 O LYS A 57 22.355 2.724 13.211 1.00 16.40 O ATOM 118 CB LYS A 57 23.674 1.027 10.886 1.00 18.79 C ATOM 119 CG LYS A 57 23.902 -0.166 9.947 1.00 33.46 C ATOM 120 CD LYS A 57 24.659 0.210 8.675 1.00 40.59 C ATOM 121 CE LYS A 57 24.929 -0.998 7.806 1.00 51.41 C ATOM 122 NZ LYS A 57 25.698 -0.650 6.578 1.00 57.73 N ATOM 123 HZ1 LYS A 57 25.158 0.038 6.016 1.00 0.00 H ATOM 124 HZ2 LYS A 57 26.613 -0.236 6.849 1.00 0.00 H ATOM 125 HZ3 LYS A 57 25.858 -1.510 6.015 1.00 0.00 H ATOM 126 H LYS A 57 20.906 1.279 11.311 1.00 0.00 H ATOM 127 N PRO A 58 23.632 1.230 14.368 1.00 15.64 N ATOM 128 CA PRO A 58 23.714 2.095 15.563 1.00 13.70 C ATOM 129 C PRO A 58 24.501 3.382 15.361 1.00 15.30 C ATOM 130 O PRO A 58 25.536 3.381 14.714 1.00 14.45 O ATOM 131 CB PRO A 58 24.370 1.181 16.611 1.00 15.21 C ATOM 132 CG PRO A 58 25.152 0.215 15.816 1.00 19.92 C ATOM 133 CD PRO A 58 24.341 -0.050 14.590 1.00 16.21 C ATOM 134 N LEU A 59 23.978 4.480 15.904 1.00 10.42 N ATOM 135 CA LEU A 59 24.571 5.810 15.812 1.00 9.83 C ATOM 136 C LEU A 59 25.328 6.119 17.106 1.00 14.29 C ATOM 137 O LEU A 59 26.201 6.985 17.123 1.00 13.36 O ATOM 138 CB LEU A 59 23.466 6.870 15.634 1.00 9.11 C ATOM 139 CG LEU A 59 22.649 6.892 14.347 1.00 13.84 C ATOM 140 CD1 LEU A 59 21.684 8.102 14.358 1.00 13.06 C ATOM 141 CD2 LEU A 59 23.552 6.947 13.099 1.00 15.86 C ATOM 142 H LEU A 59 23.086 4.383 16.430 1.00 0.00 H ATOM 143 N GLY A 60 24.915 5.475 18.187 1.00 10.61 N ATOM 144 CA GLY A 60 25.509 5.692 19.492 1.00 10.85 C ATOM 145 C GLY A 60 24.490 6.025 20.554 1.00 15.38 C ATOM 146 O GLY A 60 23.281 5.811 20.372 1.00 14.53 O ATOM 147 H GLY A 60 24.138 4.790 18.097 1.00 0.00 H ATOM 148 N ARG A 61 24.986 6.572 21.672 1.00 12.31 N ATOM 149 CA ARG A 61 24.171 6.877 22.836 1.00 11.36 C ATOM 150 C ARG A 61 24.039 8.371 23.109 1.00 15.03 C ATOM 151 O ARG A 61 25.033 9.086 23.106 1.00 15.42 O ATOM 152 CB ARG A 61 24.770 6.161 24.060 1.00 8.63 C ATOM 153 CG ARG A 61 24.088 6.455 25.408 1.00 11.87 C ATOM 154 CD ARG A 61 24.599 5.519 26.497 1.00 13.19 C ATOM 155 NE ARG A 61 24.076 4.172 26.291 1.00 12.02 N ATOM 156 CZ ARG A 61 24.272 3.136 27.098 1.00 20.73 C ATOM 157 NH1 ARG A 61 25.014 3.266 28.189 1.00 9.74 N ATOM 158 NH2 ARG A 61 23.732 1.961 26.818 1.00 13.56 N ATOM 159 HE ARG A 61 23.501 4.010 25.440 1.00 0.00 H ATOM 160 HH12 ARG A 61 25.163 2.450 28.817 1.00 0.00 H ATOM 161 HH11 ARG A 61 25.447 4.184 28.417 1.00 0.00 H ATOM 162 HH22 ARG A 61 23.888 1.152 27.453 1.00 0.00 H ATOM 163 HH21 ARG A 61 23.151 1.846 25.963 1.00 0.00 H ATOM 164 H ARG A 61 26.003 6.789 21.709 1.00 0.00 H ATOM 165 N VAL A 62 22.809 8.825 23.377 1.00 9.21 N ATOM 166 CA VAL A 62 22.551 10.185 23.828 1.00 8.04 C ATOM 167 C VAL A 62 22.302 10.007 25.324 1.00 11.39 C ATOM 168 O VAL A 62 21.435 9.208 25.711 1.00 8.61 O ATOM 169 CB VAL A 62 21.333 10.872 23.142 1.00 12.54 C ATOM 170 CG1 VAL A 62 21.106 12.279 23.705 1.00 12.12 C ATOM 171 CG2 VAL A 62 21.508 10.934 21.627 1.00 12.71 C ATOM 172 H VAL A 62 22.003 8.179 23.258 1.00 0.00 H ATOM 173 N VAL A 63 23.072 10.732 26.162 1.00 8.50 N ATOM 174 CA VAL A 63 22.897 10.716 27.624 1.00 7.83 C ATOM 175 C VAL A 63 22.277 12.055 28.010 1.00 10.48 C ATOM 176 O VAL A 63 22.739 13.112 27.570 1.00 8.22 O ATOM 177 CB VAL A 63 24.203 10.424 28.423 1.00 9.91 C ATOM 178 CG1 VAL A 63 23.972 10.523 29.930 1.00 8.90 C ATOM 179 CG2 VAL A 63 24.775 9.059 28.061 1.00 9.50 C ATOM 180 H VAL A 63 23.822 11.328 25.758 1.00 0.00 H ATOM 181 N LEU A 64 21.230 11.996 28.819 1.00 7.19 N ATOM 182 CA LEU A 64 20.467 13.164 29.243 1.00 6.21 C ATOM 183 C LEU A 64 20.406 13.297 30.741 1.00 10.61 C ATOM 184 O LEU A 64 20.168 12.308 31.453 1.00 10.64 O ATOM 185 CB LEU A 64 19.020 13.072 28.692 1.00 5.42 C ATOM 186 CG LEU A 64 18.867 12.851 27.171 1.00 8.12 C ATOM 187 CD1 LEU A 64 17.509 12.264 26.835 1.00 8.16 C ATOM 188 CD2 LEU A 64 19.127 14.140 26.374 1.00 5.74 C ATOM 189 H LEU A 64 20.935 11.063 29.172 1.00 0.00 H ATOM 190 N GLU A 65 20.562 14.535 31.216 1.00 6.74 N ATOM 191 CA GLU A 65 20.359 14.845 32.630 1.00 7.47 C ATOM 192 C GLU A 65 18.920 15.345 32.730 1.00 10.59 C ATOM 193 O GLU A 65 18.544 16.245 31.989 1.00 8.63 O ATOM 194 CB GLU A 65 21.319 15.933 33.143 1.00 7.66 C ATOM 195 CG GLU A 65 20.978 16.364 34.560 1.00 9.27 C ATOM 196 CD GLU A 65 21.859 17.416 35.201 1.00 13.47 C ATOM 197 OE1 GLU A 65 22.930 17.740 34.642 1.00 11.19 O ATOM 198 OE2 GLU A 65 21.511 17.855 36.317 1.00 7.67 O ATOM 199 H GLU A 65 20.835 15.298 30.564 1.00 0.00 H ATOM 200 N LEU A 66 18.127 14.752 33.627 1.00 8.28 N ATOM 201 CA LEU A 66 16.744 15.176 33.827 1.00 7.70 C ATOM 202 C LEU A 66 16.713 16.109 35.033 1.00 11.25 C ATOM 203 O LEU A 66 17.100 15.724 36.129 1.00 11.63 O ATOM 204 CB LEU A 66 15.824 13.968 34.031 1.00 7.18 C ATOM 205 CG LEU A 66 15.883 12.870 32.956 1.00 10.87 C ATOM 206 CD1 LEU A 66 14.944 11.738 33.304 1.00 10.09 C ATOM 207 CD2 LEU A 66 15.558 13.415 31.579 1.00 11.01 C ATOM 208 H LEU A 66 18.504 13.968 34.197 1.00 0.00 H ATOM 209 N LYS A 67 16.282 17.333 34.827 1.00 6.82 N ATOM 210 CA LYS A 67 16.228 18.334 35.886 1.00 5.93 C ATOM 211 C LYS A 67 15.062 18.109 36.868 1.00 9.37 C ATOM 212 O LYS A 67 14.162 18.944 36.982 1.00 9.66 O ATOM 213 CB LYS A 67 16.243 19.755 35.295 1.00 6.32 C ATOM 214 CG LYS A 67 17.530 20.087 34.488 1.00 8.10 C ATOM 215 CD LYS A 67 18.757 20.425 35.383 1.00 10.72 C ATOM 216 CE LYS A 67 18.587 21.722 36.133 1.00 16.49 C ATOM 217 NZ LYS A 67 19.547 21.852 37.245 1.00 23.70 N ATOM 218 HZ1 LYS A 67 19.407 21.069 37.916 1.00 0.00 H ATOM 219 HZ2 LYS A 67 20.516 21.819 36.870 1.00 0.00 H ATOM 220 HZ3 LYS A 67 19.392 22.758 37.731 1.00 0.00 H ATOM 221 H LYS A 67 15.967 17.598 33.872 1.00 0.00 H ATOM 222 N ALA A 68 15.133 17.002 37.632 1.00 6.62 N ATOM 223 CA ALA A 68 14.163 16.645 38.686 1.00 7.06 C ATOM 224 C ALA A 68 14.143 17.692 39.779 1.00 10.82 C ATOM 225 O ALA A 68 13.129 17.842 40.426 1.00 10.36 O ATOM 226 CB ALA A 68 14.484 15.266 39.278 1.00 8.05 C ATOM 227 H ALA A 68 15.928 16.352 37.468 1.00 0.00 H ATOM 228 N ASP A 69 15.245 18.449 39.957 1.00 9.63 N ATOM 229 CA ASP A 69 15.369 19.540 40.933 1.00 10.16 C ATOM 230 C ASP A 69 14.392 20.686 40.624 1.00 13.95 C ATOM 231 O ASP A 69 13.837 21.273 41.547 1.00 14.67 O ATOM 232 CB ASP A 69 16.848 20.069 41.029 1.00 11.65 C ATOM 233 CG ASP A 69 17.564 20.411 39.717 1.00 15.32 C ATOM 234 OD1 ASP A 69 17.044 20.051 38.630 1.00 13.18 O ATOM 235 OD2 ASP A 69 18.679 20.964 39.778 1.00 24.17 O ATOM 236 H ASP A 69 16.070 18.245 39.358 1.00 0.00 H ATOM 237 N VAL A 70 14.138 20.958 39.337 1.00 8.69 N ATOM 238 CA VAL A 70 13.267 22.060 38.888 1.00 7.57 C ATOM 239 C VAL A 70 11.867 21.582 38.470 1.00 11.08 C ATOM 240 O VAL A 70 10.867 22.250 38.747 1.00 12.01 O ATOM 241 CB VAL A 70 13.961 22.849 37.728 1.00 10.75 C ATOM 242 CG1 VAL A 70 13.091 24.021 37.234 1.00 10.42 C ATOM 243 CG2 VAL A 70 15.354 23.347 38.144 1.00 9.98 C ATOM 244 H VAL A 70 14.581 20.357 38.613 1.00 0.00 H ATOM 245 N VAL A 71 11.811 20.483 37.722 1.00 6.70 N ATOM 246 CA VAL A 71 10.562 19.934 37.190 1.00 6.33 C ATOM 247 C VAL A 71 10.462 18.426 37.549 1.00 8.86 C ATOM 248 O VAL A 71 10.616 17.562 36.676 1.00 5.65 O ATOM 249 CB VAL A 71 10.422 20.215 35.678 1.00 9.46 C ATOM 250 CG1 VAL A 71 9.852 21.606 35.412 1.00 8.74 C ATOM 251 CG2 VAL A 71 11.747 20.006 34.944 1.00 9.04 C ATOM 252 H VAL A 71 12.700 19.989 37.504 1.00 0.00 H ATOM 253 N PRO A 72 10.241 18.098 38.852 1.00 7.65 N ATOM 254 CA PRO A 72 10.182 16.690 39.260 1.00 7.33 C ATOM 255 C PRO A 72 9.126 15.825 38.546 1.00 9.46 C ATOM 256 O PRO A 72 9.429 14.673 38.209 1.00 8.21 O ATOM 257 CB PRO A 72 9.943 16.778 40.774 1.00 9.40 C ATOM 258 CG PRO A 72 9.265 18.088 40.970 1.00 12.68 C ATOM 259 CD PRO A 72 10.020 18.977 40.016 1.00 9.22 C ATOM 260 N LYS A 73 7.908 16.366 38.303 1.00 7.03 N ATOM 261 CA LYS A 73 6.821 15.608 37.651 1.00 6.69 C ATOM 262 C LYS A 73 7.163 15.251 36.207 1.00 9.82 C ATOM 263 O LYS A 73 6.997 14.102 35.793 1.00 7.80 O ATOM 264 CB LYS A 73 5.471 16.340 37.743 1.00 7.85 C ATOM 265 CG LYS A 73 5.026 16.540 39.198 1.00 13.62 C ATOM 266 CD LYS A 73 3.861 17.527 39.342 1.00 14.91 C ATOM 267 CE LYS A 73 3.680 17.950 40.790 1.00 18.10 C ATOM 268 NZ LYS A 73 3.344 16.800 41.684 1.00 26.72 N ATOM 269 HZ1 LYS A 73 2.457 16.362 41.364 1.00 0.00 H ATOM 270 HZ2 LYS A 73 4.111 16.099 41.648 1.00 0.00 H ATOM 271 HZ3 LYS A 73 3.231 17.142 42.660 1.00 0.00 H ATOM 272 H LYS A 73 7.732 17.351 38.586 1.00 0.00 H ATOM 273 N THR A 74 7.691 16.235 35.466 1.00 6.26 N ATOM 274 CA THR A 74 8.112 16.069 34.078 1.00 6.10 C ATOM 275 C THR A 74 9.331 15.146 34.013 1.00 7.40 C ATOM 276 O THR A 74 9.392 14.325 33.122 1.00 6.18 O ATOM 277 CB THR A 74 8.402 17.459 33.443 1.00 9.36 C ATOM 278 OG1 THR A 74 7.289 18.312 33.711 1.00 6.82 O ATOM 279 CG2 THR A 74 8.626 17.380 31.947 1.00 3.27 C ATOM 280 HG1 THR A 74 7.172 18.402 34.690 1.00 0.00 H ATOM 281 H THR A 74 7.808 17.171 35.905 1.00 0.00 H ATOM 282 N ALA A 75 10.309 15.302 34.925 1.00 5.54 N ATOM 283 CA ALA A 75 11.509 14.451 34.896 1.00 5.01 C ATOM 284 C ALA A 75 11.143 12.997 35.204 1.00 8.90 C ATOM 285 O ALA A 75 11.602 12.102 34.510 1.00 7.52 O ATOM 286 CB ALA A 75 12.558 14.965 35.878 1.00 5.44 C ATOM 287 H ALA A 75 10.215 16.033 35.659 1.00 0.00 H ATOM 288 N GLU A 76 10.247 12.774 36.187 1.00 8.03 N ATOM 289 CA GLU A 76 9.777 11.446 36.587 1.00 7.16 C ATOM 290 C GLU A 76 9.065 10.755 35.444 1.00 9.60 C ATOM 291 O GLU A 76 9.292 9.567 35.221 1.00 6.85 O ATOM 292 CB GLU A 76 8.877 11.514 37.835 1.00 8.50 C ATOM 293 CG GLU A 76 8.411 10.159 38.370 1.00 14.74 C ATOM 294 CD GLU A 76 9.470 9.091 38.607 1.00 21.03 C ATOM 295 OE1 GLU A 76 10.660 9.435 38.801 1.00 8.29 O ATOM 296 OE2 GLU A 76 9.091 7.899 38.653 1.00 10.30 O ATOM 297 H GLU A 76 9.865 13.598 36.694 1.00 0.00 H ATOM 298 N ASN A 77 8.190 11.500 34.728 1.00 6.34 N ATOM 299 CA ASN A 77 7.512 10.958 33.559 1.00 5.40 C ATOM 300 C ASN A 77 8.550 10.394 32.554 1.00 6.76 C ATOM 301 O ASN A 77 8.466 9.228 32.217 1.00 5.64 O ATOM 302 CB ASN A 77 6.626 12.012 32.897 1.00 4.77 C ATOM 303 CG ASN A 77 5.917 11.473 31.671 1.00 18.80 C ATOM 304 OD1 ASN A 77 5.214 10.463 31.747 1.00 7.17 O ATOM 305 ND2 ASN A 77 6.154 12.088 30.496 1.00 6.08 N ATOM 306 HD22 ASN A 77 6.752 12.939 30.466 1.00 0.00 H ATOM 307 HD21 ASN A 77 5.739 11.712 29.619 1.00 0.00 H ATOM 308 H ASN A 77 7.998 12.480 35.019 1.00 0.00 H ATOM 309 N PHE A 78 9.536 11.208 32.117 1.00 4.84 N ATOM 310 CA PHE A 78 10.577 10.779 31.154 1.00 4.20 C ATOM 311 C PHE A 78 11.413 9.607 31.648 1.00 9.10 C ATOM 312 O PHE A 78 11.655 8.671 30.888 1.00 7.08 O ATOM 313 CB PHE A 78 11.509 11.946 30.841 1.00 5.09 C ATOM 314 CG PHE A 78 12.317 11.775 29.579 1.00 5.03 C ATOM 315 CD1 PHE A 78 11.795 12.141 28.347 1.00 6.22 C ATOM 316 CD2 PHE A 78 13.614 11.286 29.627 1.00 5.27 C ATOM 317 CE1 PHE A 78 12.560 12.018 27.184 1.00 6.80 C ATOM 318 CE2 PHE A 78 14.383 11.174 28.461 1.00 7.58 C ATOM 319 CZ PHE A 78 13.843 11.514 27.247 1.00 5.20 C ATOM 320 H PHE A 78 9.566 12.184 32.474 1.00 0.00 H ATOM 321 N ARG A 79 11.863 9.669 32.928 1.00 7.53 N ATOM 322 CA ARG A 79 12.693 8.654 33.563 1.00 7.01 C ATOM 323 C ARG A 79 12.039 7.273 33.461 1.00 11.16 C ATOM 324 O ARG A 79 12.648 6.345 32.903 1.00 8.82 O ATOM 325 CB ARG A 79 12.959 9.040 35.022 1.00 4.86 C ATOM 326 CG ARG A 79 14.029 8.192 35.715 1.00 7.68 C ATOM 327 CD ARG A 79 13.829 8.149 37.238 1.00 4.34 C ATOM 328 NE ARG A 79 12.503 7.634 37.596 1.00 8.94 N ATOM 329 CZ ARG A 79 12.165 6.347 37.568 1.00 22.84 C ATOM 330 NH1 ARG A 79 13.053 5.425 37.210 1.00 5.07 N ATOM 331 NH2 ARG A 79 10.932 5.975 37.876 1.00 8.48 N ATOM 332 HE ARG A 79 11.779 8.320 37.891 1.00 0.00 H ATOM 333 HH12 ARG A 79 12.781 4.421 37.191 1.00 0.00 H ATOM 334 HH11 ARG A 79 14.019 5.707 36.949 1.00 0.00 H ATOM 335 HH22 ARG A 79 10.671 4.968 37.853 1.00 0.00 H ATOM 336 HH21 ARG A 79 10.224 6.689 38.141 1.00 0.00 H ATOM 337 H ARG A 79 11.596 10.499 33.495 1.00 0.00 H ATOM 338 N ALA A 80 10.776 7.162 33.951 1.00 7.96 N ATOM 339 CA ALA A 80 9.984 5.918 33.957 1.00 6.70 C ATOM 340 C ALA A 80 9.698 5.409 32.538 1.00 9.61 C ATOM 341 O ALA A 80 9.601 4.191 32.330 1.00 6.52 O ATOM 342 CB ALA A 80 8.676 6.129 34.712 1.00 7.51 C ATOM 343 H ALA A 80 10.337 8.016 34.350 1.00 0.00 H ATOM 344 N LEU A 81 9.557 6.340 31.572 1.00 7.06 N ATOM 345 CA LEU A 81 9.336 5.984 30.174 1.00 6.24 C ATOM 346 C LEU A 81 10.628 5.426 29.553 1.00 10.03 C ATOM 347 O LEU A 81 10.539 4.583 28.663 1.00 10.97 O ATOM 348 CB LEU A 81 8.757 7.164 29.353 1.00 5.91 C ATOM 349 CG LEU A 81 7.308 7.609 29.675 1.00 8.80 C ATOM 350 CD1 LEU A 81 6.984 8.894 28.979 1.00 7.77 C ATOM 351 CD2 LEU A 81 6.270 6.540 29.317 1.00 10.57 C ATOM 352 H LEU A 81 9.607 7.346 31.832 1.00 0.00 H ATOM 353 N CYS A 82 11.820 5.842 30.051 1.00 5.13 N ATOM 354 CA CYS A 82 13.112 5.312 29.572 1.00 5.15 C ATOM 355 C CYS A 82 13.330 3.908 30.102 1.00 11.46 C ATOM 356 O CYS A 82 13.771 3.042 29.357 1.00 13.16 O ATOM 357 CB CYS A 82 14.267 6.222 29.979 1.00 5.84 C ATOM 358 SG CYS A 82 14.387 7.739 29.010 1.00 10.24 S ATOM 359 H CYS A 82 11.823 6.563 30.800 1.00 0.00 H ATOM 360 N THR A 83 13.033 3.676 31.398 1.00 8.99 N ATOM 361 CA THR A 83 13.194 2.353 32.031 1.00 9.18 C ATOM 362 C THR A 83 12.117 1.395 31.582 1.00 11.57 C ATOM 363 O THR A 83 12.334 0.197 31.625 1.00 10.16 O ATOM 364 CB THR A 83 13.128 2.451 33.566 1.00 15.85 C ATOM 365 OG1 THR A 83 11.824 2.911 33.924 1.00 13.49 O ATOM 366 CG2 THR A 83 14.220 3.344 34.161 1.00 8.66 C ATOM 367 HG1 THR A 83 11.759 2.982 34.909 1.00 0.00 H ATOM 368 H THR A 83 12.675 4.464 31.975 1.00 0.00 H ATOM 369 N GLY A 84 10.951 1.931 31.220 1.00 8.04 N ATOM 370 CA GLY A 84 9.764 1.164 30.844 1.00 8.11 C ATOM 371 C GLY A 84 9.072 0.470 32.013 1.00 12.06 C ATOM 372 O GLY A 84 8.250 -0.422 31.795 1.00 11.63 O ATOM 373 H GLY A 84 10.881 2.968 31.204 1.00 0.00 H ATOM 374 N GLU A 85 9.378 0.876 33.265 1.00 8.57 N ATOM 375 CA GLU A 85 8.878 0.237 34.493 1.00 8.87 C ATOM 376 C GLU A 85 7.342 0.248 34.663 1.00 14.61 C ATOM 377 O GLU A 85 6.832 -0.569 35.418 1.00 15.58 O ATOM 378 CB GLU A 85 9.576 0.813 35.744 1.00 9.16 C ATOM 379 CG GLU A 85 9.287 2.285 36.002 1.00 10.75 C ATOM 380 CD GLU A 85 10.268 2.937 36.952 1.00 22.74 C ATOM 381 OE1 GLU A 85 11.477 3.010 36.628 1.00 5.98 O ATOM 382 OE2 GLU A 85 9.821 3.362 38.038 1.00 8.73 O ATOM 383 H GLU A 85 10.010 1.696 33.368 1.00 0.00 H ATOM 384 N LYS A 86 6.615 1.144 33.965 1.00 12.12 N ATOM 385 CA LYS A 86 5.149 1.216 34.047 1.00 12.66 C ATOM 386 C LYS A 86 4.451 0.306 33.024 1.00 17.99 C ATOM 387 O LYS A 86 3.222 0.249 32.991 1.00 16.77 O ATOM 388 CB LYS A 86 4.647 2.669 33.941 1.00 14.61 C ATOM 389 CG LYS A 86 5.343 3.647 34.888 1.00 14.32 C ATOM 390 CD LYS A 86 4.836 3.572 36.317 1.00 18.72 C ATOM 391 CE LYS A 86 5.580 4.565 37.177 1.00 26.96 C ATOM 392 NZ LYS A 86 5.368 4.305 38.627 1.00 23.65 N ATOM 393 HZ1 LYS A 86 4.354 4.377 38.846 1.00 0.00 H ATOM 394 HZ2 LYS A 86 5.708 3.350 38.860 1.00 0.00 H ATOM 395 HZ3 LYS A 86 5.895 5.007 39.185 1.00 0.00 H ATOM 396 H LYS A 86 7.112 1.812 33.342 1.00 0.00 H ATOM 397 N GLY A 87 5.237 -0.414 32.222 1.00 15.35 N ATOM 398 CA GLY A 87 4.694 -1.340 31.236 1.00 15.67 C ATOM 399 C GLY A 87 4.617 -0.785 29.830 1.00 17.50 C ATOM 400 O GLY A 87 4.129 -1.456 28.918 1.00 15.87 O ATOM 401 H GLY A 87 6.269 -0.311 32.303 1.00 0.00 H ATOM 402 N PHE A 88 5.139 0.424 29.641 1.00 12.20 N ATOM 403 CA PHE A 88 5.192 1.114 28.345 1.00 10.85 C ATOM 404 C PHE A 88 6.304 2.163 28.409 1.00 12.86 C ATOM 405 O PHE A 88 6.715 2.566 29.496 1.00 11.80 O ATOM 406 CB PHE A 88 3.822 1.747 27.990 1.00 11.93 C ATOM 407 CG PHE A 88 3.247 2.665 29.040 1.00 12.91 C ATOM 408 CD1 PHE A 88 3.557 4.022 29.048 1.00 14.11 C ATOM 409 CD2 PHE A 88 2.396 2.175 30.027 1.00 14.76 C ATOM 410 CE1 PHE A 88 3.002 4.879 30.007 1.00 14.91 C ATOM 411 CE2 PHE A 88 1.849 3.032 30.989 1.00 16.28 C ATOM 412 CZ PHE A 88 2.155 4.378 30.970 1.00 13.55 C ATOM 413 H PHE A 88 5.537 0.914 30.467 1.00 0.00 H ATOM 414 N GLY A 89 6.788 2.586 27.261 1.00 10.93 N ATOM 415 CA GLY A 89 7.859 3.571 27.207 1.00 10.39 C ATOM 416 C GLY A 89 8.463 3.767 25.839 1.00 13.65 C ATOM 417 O GLY A 89 7.909 3.302 24.835 1.00 12.65 O ATOM 418 H GLY A 89 6.398 2.209 26.374 1.00 0.00 H ATOM 419 N TYR A 90 9.650 4.416 25.812 1.00 10.17 N ATOM 420 CA TYR A 90 10.369 4.805 24.594 1.00 8.98 C ATOM 421 C TYR A 90 11.046 3.674 23.799 1.00 12.40 C ATOM 422 O TYR A 90 11.301 3.860 22.602 1.00 11.13 O ATOM 423 CB TYR A 90 11.401 5.903 24.910 1.00 8.93 C ATOM 424 CG TYR A 90 10.800 7.181 25.479 1.00 7.92 C ATOM 425 CD1 TYR A 90 9.718 7.806 24.860 1.00 9.76 C ATOM 426 CD2 TYR A 90 11.362 7.804 26.590 1.00 7.20 C ATOM 427 CE1 TYR A 90 9.182 8.996 25.361 1.00 7.94 C ATOM 428 CE2 TYR A 90 10.829 8.985 27.108 1.00 6.56 C ATOM 429 CZ TYR A 90 9.728 9.569 26.497 1.00 10.42 C ATOM 430 OH TYR A 90 9.225 10.754 26.971 1.00 9.60 O ATOM 431 HH TYR A 90 8.447 11.024 26.422 1.00 0.00 H ATOM 432 H TYR A 90 10.086 4.658 26.725 1.00 0.00 H ATOM 433 N LYS A 91 11.343 2.525 24.432 1.00 9.78 N ATOM 434 CA LYS A 91 12.062 1.433 23.757 1.00 10.27 C ATOM 435 C LYS A 91 11.315 0.923 22.532 1.00 15.45 C ATOM 436 O LYS A 91 10.113 0.634 22.606 1.00 15.09 O ATOM 437 CB LYS A 91 12.421 0.299 24.734 1.00 12.77 C ATOM 438 CG LYS A 91 13.205 -0.863 24.104 1.00 16.41 C ATOM 439 CD LYS A 91 13.427 -1.980 25.113 1.00 23.25 C ATOM 440 CE LYS A 91 14.306 -3.092 24.586 1.00 34.15 C ATOM 441 NZ LYS A 91 15.751 -2.730 24.645 1.00 42.16 N ATOM 442 HZ1 LYS A 91 15.918 -1.880 24.069 1.00 0.00 H ATOM 443 HZ2 LYS A 91 16.020 -2.540 25.632 1.00 0.00 H ATOM 444 HZ3 LYS A 91 16.320 -3.518 24.275 1.00 0.00 H ATOM 445 H LYS A 91 11.057 2.405 25.425 1.00 0.00 H ATOM 446 N GLY A 92 12.018 0.904 21.404 1.00 12.27 N ATOM 447 CA GLY A 92 11.467 0.437 20.138 1.00 13.20 C ATOM 448 C GLY A 92 10.717 1.482 19.339 1.00 17.04 C ATOM 449 O GLY A 92 10.249 1.178 18.242 1.00 17.44 O ATOM 450 H GLY A 92 13.003 1.237 21.426 1.00 0.00 H ATOM 451 N SER A 93 10.602 2.725 19.864 1.00 11.81 N ATOM 452 CA SER A 93 9.903 3.805 19.167 1.00 10.37 C ATOM 453 C SER A 93 10.904 4.703 18.369 1.00 15.04 C ATOM 454 O SER A 93 12.101 4.433 18.391 1.00 14.24 O ATOM 455 CB SER A 93 8.994 4.583 20.111 1.00 8.56 C ATOM 456 OG SER A 93 9.729 5.354 21.042 1.00 11.49 O ATOM 457 HG SER A 93 9.102 5.841 21.633 1.00 0.00 H ATOM 458 H SER A 93 11.025 2.919 20.794 1.00 0.00 H ATOM 459 N THR A 94 10.406 5.749 17.674 1.00 11.37 N ATOM 460 CA THR A 94 11.203 6.546 16.734 1.00 10.39 C ATOM 461 C THR A 94 11.324 8.056 16.945 1.00 13.33 C ATOM 462 O THR A 94 10.553 8.663 17.690 1.00 13.94 O ATOM 463 CB THR A 94 10.601 6.356 15.298 1.00 14.76 C ATOM 464 OG1 THR A 94 9.396 7.110 15.197 1.00 12.92 O ATOM 465 CG2 THR A 94 10.345 4.872 14.906 1.00 9.47 C ATOM 466 HG1 THR A 94 9.011 6.994 14.292 1.00 0.00 H ATOM 467 H THR A 94 9.407 6.002 17.812 1.00 0.00 H ATOM 468 N PHE A 95 12.259 8.669 16.193 1.00 8.31 N ATOM 469 CA PHE A 95 12.380 10.116 16.029 1.00 6.92 C ATOM 470 C PHE A 95 11.637 10.311 14.727 1.00 11.85 C ATOM 471 O PHE A 95 12.178 9.993 13.661 1.00 13.04 O ATOM 472 CB PHE A 95 13.836 10.595 15.899 1.00 7.30 C ATOM 473 CG PHE A 95 14.498 10.846 17.223 1.00 8.07 C ATOM 474 CD1 PHE A 95 15.062 9.801 17.944 1.00 10.56 C ATOM 475 CD2 PHE A 95 14.527 12.125 17.774 1.00 8.39 C ATOM 476 CE1 PHE A 95 15.674 10.035 19.176 1.00 10.86 C ATOM 477 CE2 PHE A 95 15.120 12.352 19.015 1.00 10.76 C ATOM 478 CZ PHE A 95 15.693 11.308 19.710 1.00 8.24 C ATOM 479 H PHE A 95 12.945 8.068 15.693 1.00 0.00 H ATOM 480 N HIS A 96 10.350 10.698 14.831 1.00 7.37 N ATOM 481 CA HIS A 96 9.423 10.848 13.706 1.00 8.66 C ATOM 482 C HIS A 96 9.435 12.254 13.045 1.00 12.98 C ATOM 483 O HIS A 96 8.997 12.376 11.906 1.00 13.02 O ATOM 484 CB HIS A 96 7.990 10.489 14.162 1.00 9.17 C ATOM 485 CG HIS A 96 7.389 11.496 15.104 1.00 12.19 C ATOM 486 ND1 HIS A 96 7.665 11.470 16.458 1.00 13.78 N ATOM 487 CD2 HIS A 96 6.568 12.543 14.844 1.00 14.69 C ATOM 488 CE1 HIS A 96 7.011 12.494 16.979 1.00 13.70 C ATOM 489 NE2 HIS A 96 6.347 13.181 16.042 1.00 14.46 N ATOM 490 H HIS A 96 9.987 10.906 15.783 1.00 0.00 H ATOM 491 N ARG A 97 9.834 13.310 13.787 1.00 9.42 N ATOM 492 CA ARG A 97 9.822 14.695 13.287 1.00 8.56 C ATOM 493 C ARG A 97 11.191 15.306 13.564 1.00 12.34 C ATOM 494 O ARG A 97 11.491 15.707 14.698 1.00 9.27 O ATOM 495 CB ARG A 97 8.718 15.519 13.979 1.00 7.97 C ATOM 496 CG ARG A 97 8.465 16.913 13.371 1.00 7.82 C ATOM 497 CD ARG A 97 7.728 17.784 14.377 1.00 8.35 C ATOM 498 NE ARG A 97 7.503 19.149 13.896 1.00 6.93 N ATOM 499 CZ ARG A 97 7.407 20.210 14.690 1.00 19.37 C ATOM 500 NH1 ARG A 97 7.532 20.079 16.005 1.00 6.81 N ATOM 501 NH2 ARG A 97 7.224 21.416 14.175 1.00 9.22 N ATOM 502 HE ARG A 97 7.413 19.297 12.871 1.00 0.00 H ATOM 503 HH12 ARG A 97 7.456 20.914 16.620 1.00 0.00 H ATOM 504 HH11 ARG A 97 7.706 19.141 16.420 1.00 0.00 H ATOM 505 HH22 ARG A 97 7.150 22.243 14.801 1.00 0.00 H ATOM 506 HH21 ARG A 97 7.155 21.536 13.144 1.00 0.00 H ATOM 507 H ARG A 97 10.165 13.137 14.757 1.00 0.00 H ATOM 508 N VAL A 98 12.025 15.353 12.526 1.00 8.59 N ATOM 509 CA VAL A 98 13.387 15.882 12.640 1.00 8.06 C ATOM 510 C VAL A 98 13.556 17.014 11.642 1.00 10.93 C ATOM 511 O VAL A 98 13.425 16.803 10.434 1.00 9.55 O ATOM 512 CB VAL A 98 14.459 14.775 12.487 1.00 11.53 C ATOM 513 CG1 VAL A 98 15.870 15.360 12.535 1.00 10.87 C ATOM 514 CG2 VAL A 98 14.286 13.699 13.567 1.00 11.42 C ATOM 515 H VAL A 98 11.698 15.002 11.603 1.00 0.00 H ATOM 516 N ILE A 99 13.846 18.214 12.164 1.00 8.98 N ATOM 517 CA ILE A 99 14.030 19.408 11.334 1.00 9.42 C ATOM 518 C ILE A 99 15.454 19.978 11.476 1.00 12.74 C ATOM 519 O ILE A 99 15.779 20.503 12.545 1.00 10.68 O ATOM 520 CB ILE A 99 12.928 20.476 11.609 1.00 12.17 C ATOM 521 CG1 ILE A 99 11.500 19.882 11.429 1.00 12.60 C ATOM 522 CG2 ILE A 99 13.139 21.709 10.721 1.00 13.31 C ATOM 523 CD1 ILE A 99 10.345 20.677 12.059 1.00 14.62 C ATOM 524 H ILE A 99 13.944 18.301 13.196 1.00 0.00 H ATOM 525 N PRO A 100 16.290 19.938 10.396 1.00 10.94 N ATOM 526 CA PRO A 100 17.636 20.543 10.467 1.00 10.61 C ATOM 527 C PRO A 100 17.599 21.994 10.920 1.00 16.42 C ATOM 528 O PRO A 100 16.691 22.734 10.531 1.00 16.56 O ATOM 529 CB PRO A 100 18.150 20.412 9.025 1.00 12.61 C ATOM 530 CG PRO A 100 17.438 19.181 8.510 1.00 16.97 C ATOM 531 CD PRO A 100 16.048 19.352 9.063 1.00 12.48 C ATOM 532 N SER A 101 18.563 22.386 11.778 1.00 13.08 N ATOM 533 CA SER A 101 18.694 23.731 12.377 1.00 13.10 C ATOM 534 C SER A 101 17.518 24.092 13.298 1.00 16.18 C ATOM 535 O SER A 101 17.188 25.266 13.449 1.00 15.35 O ATOM 536 CB SER A 101 18.930 24.811 11.317 1.00 14.41 C ATOM 537 OG SER A 101 20.063 24.474 10.541 1.00 24.18 O ATOM 538 HG SER A 101 20.213 25.174 9.857 1.00 0.00 H ATOM 539 H SER A 101 19.278 21.679 12.042 1.00 0.00 H ATOM 540 N PHE A 102 16.894 23.088 13.923 1.00 12.34 N ATOM 541 CA PHE A 102 15.784 23.341 14.857 1.00 10.64 C ATOM 542 C PHE A 102 15.800 22.326 15.994 1.00 12.44 C ATOM 543 O PHE A 102 16.355 22.623 17.074 1.00 9.25 O ATOM 544 CB PHE A 102 14.418 23.452 14.125 1.00 11.95 C ATOM 545 CG PHE A 102 13.164 23.621 14.962 1.00 12.01 C ATOM 546 CD1 PHE A 102 13.202 24.291 16.186 1.00 13.99 C ATOM 547 CD2 PHE A 102 11.932 23.162 14.498 1.00 11.82 C ATOM 548 CE1 PHE A 102 12.043 24.423 16.966 1.00 14.83 C ATOM 549 CE2 PHE A 102 10.775 23.303 15.272 1.00 15.05 C ATOM 550 CZ PHE A 102 10.833 23.944 16.495 1.00 13.63 C ATOM 551 H PHE A 102 17.199 22.109 13.746 1.00 0.00 H ATOM 552 N MET A 103 15.241 21.117 15.752 1.00 9.30 N ATOM 553 CA MET A 103 15.190 20.072 16.781 1.00 6.99 C ATOM 554 C MET A 103 14.933 18.672 16.213 1.00 10.74 C ATOM 555 O MET A 103 14.565 18.544 15.050 1.00 10.38 O ATOM 556 CB MET A 103 14.162 20.436 17.875 1.00 8.12 C ATOM 557 CG MET A 103 12.726 20.669 17.343 1.00 10.71 C ATOM 558 SD MET A 103 11.875 19.102 17.127 1.00 13.35 S ATOM 559 CE MET A 103 11.237 19.306 15.496 1.00 10.31 C ATOM 560 H MET A 103 14.838 20.924 14.813 1.00 0.00 H ATOM 561 N CYS A 104 15.076 17.639 17.073 1.00 8.14 N ATOM 562 CA CYS A 104 14.834 16.221 16.803 1.00 8.33 C ATOM 563 C CYS A 104 13.740 15.806 17.783 1.00 10.99 C ATOM 564 O CYS A 104 13.977 15.834 18.989 1.00 10.78 O ATOM 565 CB CYS A 104 16.107 15.400 17.010 1.00 9.21 C ATOM 566 SG CYS A 104 17.532 15.977 16.051 1.00 13.46 S ATOM 567 H CYS A 104 15.393 17.879 18.034 1.00 0.00 H ATOM 568 N GLN A 105 12.544 15.458 17.269 1.00 7.79 N ATOM 569 CA GLN A 105 11.365 15.090 18.063 1.00 7.21 C ATOM 570 C GLN A 105 11.080 13.595 18.013 1.00 11.91 C ATOM 571 O GLN A 105 11.111 12.987 16.947 1.00 11.10 O ATOM 572 CB GLN A 105 10.133 15.896 17.623 1.00 7.93 C ATOM 573 CG GLN A 105 8.844 15.661 18.453 1.00 8.97 C ATOM 574 CD GLN A 105 7.805 16.692 18.137 1.00 15.99 C ATOM 575 OE1 GLN A 105 8.119 17.834 17.825 1.00 8.93 O ATOM 576 NE2 GLN A 105 6.536 16.319 18.222 1.00 7.42 N ATOM 577 HE22 GLN A 105 6.298 15.343 18.489 1.00 0.00 H ATOM 578 HE21 GLN A 105 5.778 17.003 18.021 1.00 0.00 H ATOM 579 H GLN A 105 12.449 15.449 16.233 1.00 0.00 H ATOM 580 N ALA A 106 10.755 13.031 19.176 1.00 8.73 N ATOM 581 CA ALA A 106 10.470 11.619 19.389 1.00 9.31 C ATOM 582 C ALA A 106 9.429 11.487 20.484 1.00 12.42 C ATOM 583 O ALA A 106 8.895 12.501 20.961 1.00 10.17 O ATOM 584 CB ALA A 106 11.749 10.909 19.814 1.00 9.95 C ATOM 585 H ALA A 106 10.700 13.655 20.006 1.00 0.00 H ATOM 586 N GLY A 107 9.183 10.250 20.912 1.00 9.62 N ATOM 587 CA GLY A 107 8.294 9.990 22.035 1.00 9.52 C ATOM 588 C GLY A 107 6.915 9.491 21.704 1.00 13.44 C ATOM 589 O GLY A 107 6.142 9.209 22.619 1.00 13.76 O ATOM 590 H GLY A 107 9.638 9.448 20.431 1.00 0.00 H ATOM 591 N ASP A 108 6.574 9.392 20.409 1.00 9.98 N ATOM 592 CA ASP A 108 5.256 8.884 20.053 1.00 8.07 C ATOM 593 C ASP A 108 5.331 7.349 19.902 1.00 14.18 C ATOM 594 O ASP A 108 5.412 6.818 18.786 1.00 14.29 O ATOM 595 CB ASP A 108 4.644 9.599 18.829 1.00 8.66 C ATOM 596 CG ASP A 108 3.235 9.106 18.532 1.00 10.54 C ATOM 597 OD1 ASP A 108 2.755 8.204 19.259 1.00 9.42 O ATOM 598 OD2 ASP A 108 2.612 9.612 17.571 1.00 10.05 O ATOM 599 H ASP A 108 7.245 9.676 19.667 1.00 0.00 H ATOM 600 N PHE A 109 5.279 6.643 21.041 1.00 10.70 N ATOM 601 CA PHE A 109 5.350 5.176 21.063 1.00 10.31 C ATOM 602 C PHE A 109 4.000 4.517 20.789 1.00 14.34 C ATOM 603 O PHE A 109 3.945 3.296 20.710 1.00 14.10 O ATOM 604 CB PHE A 109 5.981 4.649 22.372 1.00 11.45 C ATOM 605 CG PHE A 109 5.287 5.054 23.653 1.00 12.14 C ATOM 606 CD1 PHE A 109 4.194 4.340 24.126 1.00 13.50 C ATOM 607 CD2 PHE A 109 5.761 6.120 24.415 1.00 12.67 C ATOM 608 CE1 PHE A 109 3.554 4.718 25.305 1.00 13.54 C ATOM 609 CE2 PHE A 109 5.127 6.487 25.597 1.00 13.88 C ATOM 610 CZ PHE A 109 4.021 5.797 26.027 1.00 11.67 C ATOM 611 H PHE A 109 5.185 7.153 21.942 1.00 0.00 H ATOM 612 N THR A 110 2.909 5.298 20.661 1.00 10.33 N ATOM 613 CA THR A 110 1.608 4.672 20.377 1.00 10.80 C ATOM 614 C THR A 110 1.279 4.708 18.881 1.00 16.39 C ATOM 615 O THR A 110 0.953 3.674 18.319 1.00 17.47 O ATOM 616 CB THR A 110 0.475 5.244 21.250 1.00 17.84 C ATOM 617 OG1 THR A 110 0.246 6.607 20.888 1.00 14.80 O ATOM 618 CG2 THR A 110 0.769 5.151 22.761 1.00 16.55 C ATOM 619 HG1 THR A 110 -0.482 6.978 21.447 1.00 0.00 H ATOM 620 H THR A 110 2.986 6.330 20.762 1.00 0.00 H ATOM 621 N ASN A 111 1.396 5.877 18.227 1.00 13.48 N ATOM 622 CA ASN A 111 1.031 6.021 16.811 1.00 14.00 C ATOM 623 C ASN A 111 2.221 6.243 15.880 1.00 18.75 C ATOM 624 O ASN A 111 2.063 6.153 14.663 1.00 19.49 O ATOM 625 CB ASN A 111 -0.018 7.140 16.662 1.00 14.18 C ATOM 626 CG ASN A 111 -1.243 6.939 17.531 1.00 30.48 C ATOM 627 OD1 ASN A 111 -1.725 5.827 17.709 1.00 19.03 O ATOM 628 ND2 ASN A 111 -1.779 8.011 18.093 1.00 23.67 N ATOM 629 HD22 ASN A 111 -1.358 8.948 17.932 1.00 0.00 H ATOM 630 HD21 ASN A 111 -2.621 7.916 18.696 1.00 0.00 H ATOM 631 H ASN A 111 1.757 6.707 18.740 1.00 0.00 H ATOM 632 N HIS A 112 3.417 6.533 16.445 1.00 14.51 N ATOM 633 CA HIS A 112 4.657 6.724 15.676 1.00 14.66 C ATOM 634 C HIS A 112 4.540 7.819 14.590 1.00 18.44 C ATOM 635 O HIS A 112 5.269 7.781 13.592 1.00 18.55 O ATOM 636 CB HIS A 112 5.144 5.360 15.083 1.00 15.56 C ATOM 637 CG HIS A 112 5.113 4.235 16.078 1.00 18.23 C ATOM 638 ND1 HIS A 112 6.035 4.155 17.108 1.00 19.38 N ATOM 639 CD2 HIS A 112 4.267 3.186 16.171 1.00 20.24 C ATOM 640 CE1 HIS A 112 5.713 3.073 17.799 1.00 18.89 C ATOM 641 NE2 HIS A 112 4.657 2.457 17.275 1.00 19.87 N ATOM 642 H HIS A 112 3.462 6.626 17.480 1.00 0.00 H ATOM 643 N ASN A 113 3.632 8.802 14.788 1.00 14.05 N ATOM 644 CA ASN A 113 3.418 9.824 13.755 1.00 13.52 C ATOM 645 C ASN A 113 3.202 11.244 14.271 1.00 16.49 C ATOM 646 O ASN A 113 2.930 12.131 13.465 1.00 16.41 O ATOM 647 CB ASN A 113 2.261 9.398 12.826 1.00 14.24 C ATOM 648 CG ASN A 113 0.903 9.254 13.477 1.00 18.83 C ATOM 649 OD1 ASN A 113 0.685 9.596 14.644 1.00 12.02 O ATOM 650 ND2 ASN A 113 -0.057 8.767 12.715 1.00 10.13 N ATOM 651 HD22 ASN A 113 0.149 8.485 11.735 1.00 0.00 H ATOM 652 HD21 ASN A 113 -1.020 8.665 13.094 1.00 0.00 H ATOM 653 H ASN A 113 3.085 8.834 15.672 1.00 0.00 H ATOM 654 N GLY A 114 3.284 11.449 15.588 1.00 11.69 N ATOM 655 CA GLY A 114 3.107 12.777 16.171 1.00 11.25 C ATOM 656 C GLY A 114 1.759 13.057 16.806 1.00 15.53 C ATOM 657 O GLY A 114 1.578 14.118 17.408 1.00 14.93 O ATOM 658 H GLY A 114 3.479 10.642 16.215 1.00 0.00 H ATOM 659 N THR A 115 0.810 12.111 16.702 1.00 12.14 N ATOM 660 CA THR A 115 -0.522 12.271 17.283 1.00 11.69 C ATOM 661 C THR A 115 -0.615 11.575 18.637 1.00 16.00 C ATOM 662 O THR A 115 -1.566 11.803 19.386 1.00 16.25 O ATOM 663 CB THR A 115 -1.597 11.653 16.365 1.00 16.02 C ATOM 664 OG1 THR A 115 -1.398 10.239 16.286 1.00 9.27 O ATOM 665 CG2 THR A 115 -1.630 12.276 14.974 1.00 14.35 C ATOM 666 HG1 THR A 115 -0.499 10.054 15.915 1.00 0.00 H ATOM 667 H THR A 115 1.031 11.233 16.190 1.00 0.00 H ATOM 668 N GLY A 116 0.338 10.694 18.922 1.00 11.91 N ATOM 669 CA GLY A 116 0.229 9.860 20.101 1.00 10.91 C ATOM 670 C GLY A 116 1.199 10.031 21.231 1.00 12.85 C ATOM 671 O GLY A 116 1.638 11.140 21.549 1.00 12.24 O ATOM 672 H GLY A 116 1.164 10.603 18.297 1.00 0.00 H ATOM 673 N GLY A 117 1.467 8.896 21.855 1.00 8.82 N ATOM 674 CA GLY A 117 2.246 8.778 23.074 1.00 8.81 C ATOM 675 C GLY A 117 1.338 9.086 24.260 1.00 11.65 C ATOM 676 O GLY A 117 0.235 9.626 24.082 1.00 8.60 O ATOM 677 H GLY A 117 1.090 8.020 21.440 1.00 0.00 H ATOM 678 N LYS A 118 1.778 8.718 25.470 1.00 8.39 N ATOM 679 CA LYS A 118 1.040 8.975 26.705 1.00 8.07 C ATOM 680 C LYS A 118 1.979 9.152 27.875 1.00 10.84 C ATOM 681 O LYS A 118 3.102 8.648 27.842 1.00 9.60 O ATOM 682 CB LYS A 118 -0.011 7.875 27.003 1.00 10.83 C ATOM 683 CG LYS A 118 0.543 6.469 27.218 1.00 10.56 C ATOM 684 CD LYS A 118 -0.570 5.377 27.235 1.00 9.21 C ATOM 685 CE LYS A 118 0.053 4.013 27.455 1.00 11.69 C ATOM 686 NZ LYS A 118 -0.960 2.937 27.612 1.00 22.96 N ATOM 687 HZ1 LYS A 118 -1.564 3.148 28.432 1.00 0.00 H ATOM 688 HZ2 LYS A 118 -1.545 2.885 26.754 1.00 0.00 H ATOM 689 HZ3 LYS A 118 -0.478 2.027 27.759 1.00 0.00 H ATOM 690 H LYS A 118 2.691 8.224 25.534 1.00 0.00 H ATOM 691 N SER A 119 1.502 9.786 28.946 1.00 6.46 N ATOM 692 CA SER A 119 2.347 9.928 30.115 1.00 5.65 C ATOM 693 C SER A 119 2.081 8.805 31.122 1.00 11.39 C ATOM 694 O SER A 119 1.122 8.042 30.974 1.00 11.19 O ATOM 695 CB SER A 119 2.157 11.300 30.756 1.00 9.28 C ATOM 696 OG SER A 119 1.031 11.371 31.610 1.00 13.99 O ATOM 697 HG SER A 119 0.212 11.169 31.092 1.00 0.00 H ATOM 698 H SER A 119 0.537 10.173 28.943 1.00 0.00 H ATOM 699 N ILE A 120 2.925 8.716 32.160 1.00 8.73 N ATOM 700 CA ILE A 120 2.747 7.721 33.225 1.00 7.34 C ATOM 701 C ILE A 120 1.539 8.093 34.105 1.00 12.06 C ATOM 702 O ILE A 120 1.021 7.237 34.834 1.00 12.55 O ATOM 703 CB ILE A 120 4.039 7.478 34.052 1.00 8.73 C ATOM 704 CG1 ILE A 120 4.426 8.713 34.925 1.00 8.59 C ATOM 705 CG2 ILE A 120 5.197 6.996 33.181 1.00 7.54 C ATOM 706 CD1 ILE A 120 5.733 8.478 35.873 1.00 11.38 C ATOM 707 H ILE A 120 3.730 9.372 32.212 1.00 0.00 H ATOM 708 N TYR A 121 1.082 9.369 34.035 1.00 8.20 N ATOM 709 CA TYR A 121 -0.044 9.835 34.864 1.00 8.54 C ATOM 710 C TYR A 121 -1.436 9.629 34.244 1.00 13.66 C ATOM 711 O TYR A 121 -2.422 9.461 34.971 1.00 12.99 O ATOM 712 CB TYR A 121 0.145 11.311 35.224 1.00 8.54 C ATOM 713 CG TYR A 121 1.537 11.608 35.715 1.00 7.81 C ATOM 714 CD1 TYR A 121 2.012 11.052 36.901 1.00 9.34 C ATOM 715 CD2 TYR A 121 2.392 12.431 34.988 1.00 8.25 C ATOM 716 CE1 TYR A 121 3.312 11.294 37.341 1.00 9.72 C ATOM 717 CE2 TYR A 121 3.695 12.683 35.421 1.00 8.58 C ATOM 718 CZ TYR A 121 4.144 12.125 36.608 1.00 10.73 C ATOM 719 OH TYR A 121 5.426 12.367 37.042 1.00 8.50 O ATOM 720 HH TYR A 121 5.578 11.895 37.899 1.00 0.00 H ATOM 721 H TYR A 121 1.538 10.035 33.379 1.00 0.00 H ATOM 722 N GLY A 122 -1.489 9.725 32.922 1.00 9.92 N ATOM 723 CA GLY A 122 -2.690 9.627 32.108 1.00 9.18 C ATOM 724 C GLY A 122 -2.358 10.073 30.702 1.00 11.49 C ATOM 725 O GLY A 122 -1.177 10.154 30.358 1.00 10.05 O ATOM 726 H GLY A 122 -0.591 9.885 32.423 1.00 0.00 H ATOM 727 N SER A 123 -3.385 10.370 29.868 1.00 6.36 N ATOM 728 CA SER A 123 -3.148 10.735 28.470 1.00 5.86 C ATOM 729 C SER A 123 -2.395 12.047 28.278 1.00 13.05 C ATOM 730 O SER A 123 -1.864 12.288 27.198 1.00 15.47 O ATOM 731 CB SER A 123 -4.454 10.746 27.675 1.00 7.63 C ATOM 732 OG SER A 123 -5.334 11.777 28.099 1.00 10.87 O ATOM 733 HG SER A 123 -6.163 11.745 27.558 1.00 0.00 H ATOM 734 H SER A 123 -4.360 10.338 30.228 1.00 0.00 H ATOM 735 N ARG A 124 -2.376 12.904 29.308 1.00 10.28 N ATOM 736 CA ARG A 124 -1.741 14.229 29.288 1.00 8.38 C ATOM 737 C ARG A 124 -1.571 14.738 30.703 1.00 10.47 C ATOM 738 O ARG A 124 -2.300 14.322 31.593 1.00 8.80 O ATOM 739 CB ARG A 124 -2.572 15.245 28.460 1.00 6.40 C ATOM 740 CG ARG A 124 -4.046 15.373 28.891 1.00 8.30 C ATOM 741 CD ARG A 124 -4.766 16.505 28.153 1.00 10.61 C ATOM 742 NE ARG A 124 -4.921 16.195 26.734 1.00 10.42 N ATOM 743 CZ ARG A 124 -5.579 16.935 25.855 1.00 19.07 C ATOM 744 NH1 ARG A 124 -6.169 18.066 26.233 1.00 9.57 N ATOM 745 NH2 ARG A 124 -5.673 16.544 24.594 1.00 7.43 N ATOM 746 HE ARG A 124 -4.478 15.321 26.385 1.00 0.00 H ATOM 747 HH12 ARG A 124 -6.684 18.642 25.537 1.00 0.00 H ATOM 748 HH11 ARG A 124 -6.115 18.374 27.225 1.00 0.00 H ATOM 749 HH22 ARG A 124 -6.190 17.127 23.906 1.00 0.00 H ATOM 750 HH21 ARG A 124 -5.229 15.653 24.291 1.00 0.00 H ATOM 751 H ARG A 124 -2.846 12.609 30.188 1.00 0.00 H ATOM 752 N PHE A 125 -0.643 15.670 30.905 1.00 8.03 N ATOM 753 CA PHE A 125 -0.446 16.264 32.222 1.00 7.31 C ATOM 754 C PHE A 125 -0.104 17.748 32.089 1.00 11.30 C ATOM 755 O PHE A 125 0.369 18.161 31.021 1.00 11.46 O ATOM 756 CB PHE A 125 0.576 15.468 33.061 1.00 8.47 C ATOM 757 CG PHE A 125 2.010 15.484 32.597 1.00 9.14 C ATOM 758 CD1 PHE A 125 2.423 14.691 31.534 1.00 10.98 C ATOM 759 CD2 PHE A 125 2.965 16.239 33.268 1.00 10.29 C ATOM 760 CE1 PHE A 125 3.764 14.662 31.146 1.00 11.24 C ATOM 761 CE2 PHE A 125 4.300 16.226 32.869 1.00 11.56 C ATOM 762 CZ PHE A 125 4.691 15.439 31.808 1.00 9.68 C ATOM 763 H PHE A 125 -0.048 15.980 30.110 1.00 0.00 H ATOM 764 N PRO A 126 -0.359 18.574 33.131 1.00 8.42 N ATOM 765 CA PRO A 126 -0.085 20.013 33.007 1.00 7.71 C ATOM 766 C PRO A 126 1.362 20.403 32.751 1.00 11.46 C ATOM 767 O PRO A 126 2.296 19.644 33.050 1.00 11.34 O ATOM 768 CB PRO A 126 -0.524 20.582 34.365 1.00 10.18 C ATOM 769 CG PRO A 126 -1.383 19.556 34.983 1.00 14.41 C ATOM 770 CD PRO A 126 -0.924 18.245 34.461 1.00 9.56 C ATOM 771 N ASP A 127 1.535 21.628 32.222 1.00 7.41 N ATOM 772 CA ASP A 127 2.833 22.280 32.062 1.00 6.47 C ATOM 773 C ASP A 127 3.271 22.561 33.491 1.00 10.14 C ATOM 774 O ASP A 127 2.584 23.314 34.197 1.00 10.00 O ATOM 775 CB ASP A 127 2.680 23.598 31.303 1.00 7.96 C ATOM 776 CG ASP A 127 2.361 23.426 29.838 1.00 8.01 C ATOM 777 OD1 ASP A 127 2.926 22.509 29.214 1.00 8.30 O ATOM 778 OD2 ASP A 127 1.566 24.216 29.318 1.00 10.94 O ATOM 779 H ASP A 127 0.689 22.145 31.906 1.00 0.00 H ATOM 780 N GLU A 128 4.333 21.855 33.969 1.00 5.78 N ATOM 781 CA GLU A 128 4.769 21.986 35.371 1.00 5.84 C ATOM 782 C GLU A 128 5.194 23.407 35.721 1.00 9.33 C ATOM 783 O GLU A 128 4.750 23.951 36.714 1.00 10.17 O ATOM 784 CB GLU A 128 5.905 20.995 35.658 1.00 6.79 C ATOM 785 CG GLU A 128 6.192 20.758 37.129 1.00 8.19 C ATOM 786 CD GLU A 128 7.019 19.504 37.312 1.00 11.89 C ATOM 787 OE1 GLU A 128 7.485 18.953 36.292 1.00 4.82 O ATOM 788 OE2 GLU A 128 7.215 19.073 38.467 1.00 10.83 O ATOM 789 H GLU A 128 4.846 21.211 33.333 1.00 0.00 H ATOM 790 N ASN A 129 6.082 23.983 34.923 1.00 6.40 N ATOM 791 CA ASN A 129 6.571 25.357 35.056 1.00 5.93 C ATOM 792 C ASN A 129 7.422 25.667 33.840 1.00 9.00 C ATOM 793 O ASN A 129 7.796 24.761 33.091 1.00 5.79 O ATOM 794 CB ASN A 129 7.348 25.595 36.376 1.00 4.75 C ATOM 795 CG ASN A 129 8.638 24.803 36.524 1.00 13.94 C ATOM 796 OD1 ASN A 129 9.617 25.025 35.822 1.00 7.01 O ATOM 797 ND2 ASN A 129 8.696 23.914 37.493 1.00 5.93 N ATOM 798 HD22 ASN A 129 7.859 23.733 38.083 1.00 0.00 H ATOM 799 HD21 ASN A 129 9.579 23.393 37.668 1.00 0.00 H ATOM 800 H ASN A 129 6.462 23.414 34.140 1.00 0.00 H ATOM 801 N PHE A 130 7.702 26.950 33.636 1.00 6.69 N ATOM 802 CA PHE A 130 8.490 27.440 32.518 1.00 6.21 C ATOM 803 C PHE A 130 9.816 28.071 32.995 1.00 10.61 C ATOM 804 O PHE A 130 10.381 28.927 32.303 1.00 12.30 O ATOM 805 CB PHE A 130 7.634 28.427 31.693 1.00 7.67 C ATOM 806 CG PHE A 130 6.431 27.752 31.067 1.00 9.22 C ATOM 807 CD1 PHE A 130 6.591 26.761 30.099 1.00 11.71 C ATOM 808 CD2 PHE A 130 5.137 28.126 31.422 1.00 10.37 C ATOM 809 CE1 PHE A 130 5.479 26.139 29.513 1.00 11.76 C ATOM 810 CE2 PHE A 130 4.028 27.499 30.842 1.00 13.00 C ATOM 811 CZ PHE A 130 4.206 26.523 29.876 1.00 10.24 C ATOM 812 H PHE A 130 7.335 27.645 34.317 1.00 0.00 H ATOM 813 N THR A 131 10.319 27.622 34.161 1.00 5.99 N ATOM 814 CA THR A 131 11.547 28.147 34.763 1.00 7.23 C ATOM 815 C THR A 131 12.775 27.940 33.874 1.00 9.98 C ATOM 816 O THR A 131 13.535 28.881 33.706 1.00 9.47 O ATOM 817 CB THR A 131 11.754 27.603 36.190 1.00 12.77 C ATOM 818 OG1 THR A 131 10.541 27.787 36.913 1.00 15.53 O ATOM 819 CG2 THR A 131 12.889 28.309 36.920 1.00 12.66 C ATOM 820 HG1 THR A 131 9.811 27.294 36.462 1.00 0.00 H ATOM 821 H THR A 131 9.810 26.864 34.659 1.00 0.00 H ATOM 822 N LEU A 132 13.001 26.716 33.357 1.00 7.44 N ATOM 823 CA LEU A 132 14.171 26.475 32.497 1.00 7.61 C ATOM 824 C LEU A 132 13.907 26.989 31.088 1.00 11.30 C ATOM 825 O LEU A 132 12.811 26.817 30.575 1.00 11.26 O ATOM 826 CB LEU A 132 14.568 24.992 32.477 1.00 7.32 C ATOM 827 CG LEU A 132 15.241 24.444 33.747 1.00 12.40 C ATOM 828 CD1 LEU A 132 15.195 22.920 33.772 1.00 11.24 C ATOM 829 CD2 LEU A 132 16.678 24.944 33.874 1.00 15.73 C ATOM 830 H LEU A 132 12.345 25.937 33.567 1.00 0.00 H ATOM 831 N LYS A 133 14.893 27.624 30.473 1.00 8.83 N ATOM 832 CA LYS A 133 14.746 28.226 29.140 1.00 8.40 C ATOM 833 C LYS A 133 15.431 27.394 28.032 1.00 10.78 C ATOM 834 O LYS A 133 16.334 26.610 28.294 1.00 9.57 O ATOM 835 CB LYS A 133 15.320 29.669 29.127 1.00 11.23 C ATOM 836 CG LYS A 133 14.876 30.599 30.288 1.00 22.99 C ATOM 837 CD LYS A 133 13.438 31.099 30.168 1.00 29.27 C ATOM 838 CE LYS A 133 12.783 31.351 31.507 1.00 35.00 C ATOM 839 NZ LYS A 133 11.334 31.636 31.360 1.00 28.45 N ATOM 840 HZ1 LYS A 133 11.207 32.481 30.767 1.00 0.00 H ATOM 841 HZ2 LYS A 133 10.866 30.823 30.912 1.00 0.00 H ATOM 842 HZ3 LYS A 133 10.918 31.804 32.298 1.00 0.00 H ATOM 843 H LYS A 133 15.812 27.700 30.954 1.00 0.00 H ATOM 844 N HIS A 134 15.006 27.609 26.790 1.00 7.94 N ATOM 845 CA HIS A 134 15.565 26.981 25.591 1.00 6.83 C ATOM 846 C HIS A 134 16.797 27.845 25.236 1.00 13.34 C ATOM 847 O HIS A 134 16.741 28.729 24.381 1.00 13.49 O ATOM 848 CB HIS A 134 14.518 26.998 24.480 1.00 5.89 C ATOM 849 CG HIS A 134 13.277 26.236 24.800 1.00 7.90 C ATOM 850 ND1 HIS A 134 12.285 26.779 25.572 1.00 8.97 N ATOM 851 CD2 HIS A 134 12.903 24.992 24.419 1.00 8.87 C ATOM 852 CE1 HIS A 134 11.334 25.856 25.644 1.00 7.57 C ATOM 853 NE2 HIS A 134 11.670 24.760 24.974 1.00 7.59 N ATOM 854 H HIS A 134 14.217 28.274 26.661 1.00 0.00 H ATOM 855 N VAL A 135 17.880 27.630 25.991 1.00 12.41 N ATOM 856 CA VAL A 135 19.121 28.408 25.951 1.00 13.14 C ATOM 857 C VAL A 135 20.067 28.073 24.781 1.00 15.73 C ATOM 858 O VAL A 135 20.952 28.873 24.463 1.00 14.25 O ATOM 859 CB VAL A 135 19.862 28.335 27.310 1.00 17.17 C ATOM 860 CG1 VAL A 135 18.994 28.904 28.428 1.00 17.66 C ATOM 861 CG2 VAL A 135 20.293 26.913 27.649 1.00 16.51 C ATOM 862 H VAL A 135 17.837 26.840 26.667 1.00 0.00 H ATOM 863 N GLY A 136 19.918 26.903 24.185 1.00 11.45 N ATOM 864 CA GLY A 136 20.800 26.513 23.096 1.00 11.10 C ATOM 865 C GLY A 136 20.705 25.058 22.688 1.00 13.11 C ATOM 866 O GLY A 136 19.815 24.334 23.148 1.00 12.13 O ATOM 867 H GLY A 136 19.165 26.257 24.497 1.00 0.00 H ATOM 868 N PRO A 137 21.640 24.601 21.820 1.00 8.92 N ATOM 869 CA PRO A 137 21.624 23.187 21.397 1.00 7.99 C ATOM 870 C PRO A 137 21.838 22.269 22.586 1.00 12.31 C ATOM 871 O PRO A 137 22.563 22.633 23.507 1.00 11.31 O ATOM 872 CB PRO A 137 22.810 23.096 20.437 1.00 8.95 C ATOM 873 CG PRO A 137 23.086 24.517 20.024 1.00 12.63 C ATOM 874 CD PRO A 137 22.787 25.319 21.225 1.00 8.76 C ATOM 875 N GLY A 138 21.166 21.126 22.578 1.00 9.55 N ATOM 876 CA GLY A 138 21.253 20.160 23.664 1.00 8.93 C ATOM 877 C GLY A 138 20.122 20.212 24.667 1.00 11.83 C ATOM 878 O GLY A 138 20.016 19.312 25.499 1.00 10.91 O ATOM 879 H GLY A 138 20.554 20.911 21.765 1.00 0.00 H ATOM 880 N VAL A 139 19.257 21.251 24.598 1.00 7.38 N ATOM 881 CA VAL A 139 18.110 21.404 25.500 1.00 5.84 C ATOM 882 C VAL A 139 17.070 20.280 25.270 1.00 9.67 C ATOM 883 O VAL A 139 16.676 20.036 24.129 1.00 8.94 O ATOM 884 CB VAL A 139 17.485 22.832 25.390 1.00 8.24 C ATOM 885 CG1 VAL A 139 16.040 22.879 25.927 1.00 8.12 C ATOM 886 CG2 VAL A 139 18.351 23.866 26.094 1.00 7.94 C ATOM 887 H VAL A 139 19.413 21.977 23.870 1.00 0.00 H ATOM 888 N LEU A 140 16.647 19.607 26.367 1.00 6.26 N ATOM 889 CA LEU A 140 15.607 18.593 26.350 1.00 5.78 C ATOM 890 C LEU A 140 14.332 19.281 26.833 1.00 11.38 C ATOM 891 O LEU A 140 14.291 19.803 27.958 1.00 12.50 O ATOM 892 CB LEU A 140 15.983 17.410 27.259 1.00 5.96 C ATOM 893 CG LEU A 140 15.033 16.209 27.291 1.00 9.44 C ATOM 894 CD1 LEU A 140 14.904 15.539 25.898 1.00 8.64 C ATOM 895 CD2 LEU A 140 15.510 15.199 28.310 1.00 11.59 C ATOM 896 H LEU A 140 17.095 19.830 27.279 1.00 0.00 H ATOM 897 N SER A 141 13.294 19.265 25.982 1.00 7.01 N ATOM 898 CA SER A 141 12.023 19.940 26.223 1.00 5.98 C ATOM 899 C SER A 141 10.799 19.070 25.845 1.00 8.35 C ATOM 900 O SER A 141 10.923 18.184 24.995 1.00 8.01 O ATOM 901 CB SER A 141 12.002 21.235 25.418 1.00 4.96 C ATOM 902 OG SER A 141 10.868 22.019 25.737 1.00 5.20 O ATOM 903 HG SER A 141 10.882 22.851 25.200 1.00 0.00 H ATOM 904 H SER A 141 13.403 18.737 25.093 1.00 0.00 H ATOM 905 N MET A 142 9.612 19.362 26.420 1.00 3.86 N ATOM 906 CA MET A 142 8.422 18.586 26.057 1.00 4.30 C ATOM 907 C MET A 142 7.729 19.108 24.803 1.00 10.49 C ATOM 908 O MET A 142 7.449 20.299 24.697 1.00 10.83 O ATOM 909 CB MET A 142 7.394 18.534 27.200 1.00 6.71 C ATOM 910 CG MET A 142 7.834 17.727 28.395 1.00 8.49 C ATOM 911 SD MET A 142 8.075 15.972 28.069 1.00 11.04 S ATOM 912 CE MET A 142 6.319 15.361 27.991 1.00 8.79 C ATOM 913 H MET A 142 9.543 20.132 27.116 1.00 0.00 H ATOM 914 N ALA A 143 7.372 18.195 23.899 1.00 6.00 N ATOM 915 CA ALA A 143 6.580 18.511 22.724 1.00 6.79 C ATOM 916 C ALA A 143 5.115 18.623 23.208 1.00 10.94 C ATOM 917 O ALA A 143 4.746 17.997 24.201 1.00 9.77 O ATOM 918 CB ALA A 143 6.699 17.385 21.713 1.00 7.59 C ATOM 919 H ALA A 143 7.675 17.211 24.042 1.00 0.00 H ATOM 920 N ASN A 144 4.299 19.455 22.561 1.00 8.48 N ATOM 921 CA ASN A 144 2.901 19.561 22.991 1.00 8.25 C ATOM 922 C ASN A 144 1.994 19.983 21.855 1.00 12.03 C ATOM 923 O ASN A 144 2.459 20.247 20.737 1.00 10.28 O ATOM 924 CB ASN A 144 2.738 20.464 24.246 1.00 4.58 C ATOM 925 CG ASN A 144 3.081 21.911 24.015 1.00 17.74 C ATOM 926 OD1 ASN A 144 2.542 22.556 23.122 1.00 6.52 O ATOM 927 ND2 ASN A 144 3.962 22.460 24.839 1.00 6.60 N ATOM 928 HD22 ASN A 144 4.402 21.887 25.587 1.00 0.00 H ATOM 929 HD21 ASN A 144 4.213 23.464 24.738 1.00 0.00 H ATOM 930 H ASN A 144 4.649 20.021 21.762 1.00 0.00 H ATOM 931 N ALA A 145 0.684 20.011 22.139 1.00 10.78 N ATOM 932 CA ALA A 145 -0.324 20.437 21.184 1.00 11.79 C ATOM 933 C ALA A 145 -1.149 21.557 21.829 1.00 15.60 C ATOM 934 O ALA A 145 -2.365 21.565 21.728 1.00 16.49 O ATOM 935 CB ALA A 145 -1.201 19.255 20.810 1.00 12.59 C ATOM 936 H ALA A 145 0.375 19.714 23.087 1.00 0.00 H ATOM 937 N GLY A 146 -0.463 22.506 22.457 1.00 10.43 N ATOM 938 CA GLY A 146 -1.095 23.630 23.140 1.00 10.31 C ATOM 939 C GLY A 146 -0.916 23.553 24.646 1.00 12.39 C ATOM 940 O GLY A 146 -0.320 22.585 25.139 1.00 13.66 O ATOM 941 H GLY A 146 0.575 22.445 22.462 1.00 0.00 H ATOM 942 N PRO A 147 -1.419 24.545 25.427 1.00 7.47 N ATOM 943 CA PRO A 147 -1.223 24.488 26.890 1.00 6.38 C ATOM 944 C PRO A 147 -1.676 23.188 27.556 1.00 11.24 C ATOM 945 O PRO A 147 -2.724 22.650 27.196 1.00 9.29 O ATOM 946 CB PRO A 147 -2.032 25.692 27.413 1.00 7.86 C ATOM 947 CG PRO A 147 -2.084 26.658 26.256 1.00 12.16 C ATOM 948 CD PRO A 147 -2.111 25.794 25.014 1.00 8.03 C ATOM 949 N ASN A 148 -0.882 22.678 28.525 1.00 8.45 N ATOM 950 CA ASN A 148 -1.228 21.480 29.324 1.00 8.02 C ATOM 951 C ASN A 148 -1.641 20.230 28.506 1.00 11.80 C ATOM 952 O ASN A 148 -2.645 19.587 28.806 1.00 10.53 O ATOM 953 CB ASN A 148 -2.322 21.849 30.352 1.00 9.74 C ATOM 954 CG ASN A 148 -1.963 23.091 31.136 1.00 22.06 C ATOM 955 OD1 ASN A 148 -0.933 23.139 31.819 1.00 9.80 O ATOM 956 ND2 ASN A 148 -2.739 24.153 30.955 1.00 11.08 N ATOM 957 HD22 ASN A 148 -3.598 24.076 30.374 1.00 0.00 H ATOM 958 HD21 ASN A 148 -2.488 25.062 31.394 1.00 0.00 H ATOM 959 H ASN A 148 0.022 23.154 28.720 1.00 0.00 H ATOM 960 N THR A 149 -0.839 19.872 27.491 1.00 8.57 N ATOM 961 CA THR A 149 -1.075 18.691 26.660 1.00 7.77 C ATOM 962 C THR A 149 0.204 17.809 26.607 1.00 13.68 C ATOM 963 O THR A 149 0.471 17.141 25.602 1.00 12.36 O ATOM 964 CB THR A 149 -1.577 19.106 25.276 1.00 9.33 C ATOM 965 OG1 THR A 149 -0.569 19.910 24.655 1.00 7.96 O ATOM 966 CG2 THR A 149 -2.942 19.834 25.325 1.00 5.77 C ATOM 967 HG1 THR A 149 -0.400 20.712 25.210 1.00 0.00 H ATOM 968 H THR A 149 -0.009 20.463 27.285 1.00 0.00 H ATOM 969 N ASN A 150 1.008 17.825 27.700 1.00 9.62 N ATOM 970 CA ASN A 150 2.216 17.007 27.783 1.00 7.63 C ATOM 971 C ASN A 150 1.834 15.553 27.850 1.00 12.52 C ATOM 972 O ASN A 150 0.973 15.187 28.641 1.00 12.45 O ATOM 973 CB ASN A 150 3.011 17.360 29.022 1.00 5.04 C ATOM 974 CG ASN A 150 3.485 18.777 29.040 1.00 12.06 C ATOM 975 OD1 ASN A 150 4.334 19.174 28.249 1.00 3.87 O ATOM 976 ND2 ASN A 150 2.908 19.576 29.915 1.00 4.04 N ATOM 977 HD22 ASN A 150 2.192 19.200 30.569 1.00 0.00 H ATOM 978 HD21 ASN A 150 3.169 20.582 29.951 1.00 0.00 H ATOM 979 H ASN A 150 0.757 18.437 28.502 1.00 0.00 H ATOM 980 N GLY A 151 2.469 14.741 27.018 1.00 8.30 N ATOM 981 CA GLY A 151 2.255 13.306 26.996 1.00 7.61 C ATOM 982 C GLY A 151 3.575 12.627 27.247 1.00 10.30 C ATOM 983 O GLY A 151 4.073 12.646 28.380 1.00 8.84 O ATOM 984 H GLY A 151 3.152 15.151 26.350 1.00 0.00 H ATOM 985 N SER A 152 4.156 12.056 26.155 1.00 6.65 N ATOM 986 CA SER A 152 5.467 11.408 26.124 1.00 5.51 C ATOM 987 C SER A 152 6.372 12.030 25.057 1.00 9.23 C ATOM 988 O SER A 152 7.593 11.921 25.148 1.00 9.27 O ATOM 989 CB SER A 152 5.315 9.916 25.862 1.00 6.64 C ATOM 990 OG SER A 152 4.533 9.708 24.701 1.00 7.26 O ATOM 991 HG SER A 152 4.977 10.133 23.925 1.00 0.00 H ATOM 992 H SER A 152 3.620 12.083 25.264 1.00 0.00 H ATOM 993 N GLN A 153 5.780 12.662 24.030 1.00 7.02 N ATOM 994 CA GLN A 153 6.560 13.313 22.966 1.00 5.56 C ATOM 995 C GLN A 153 7.479 14.371 23.527 1.00 7.38 C ATOM 996 O GLN A 153 7.089 15.127 24.410 1.00 7.25 O ATOM 997 CB GLN A 153 5.666 13.860 21.871 1.00 6.85 C ATOM 998 CG GLN A 153 4.976 12.745 21.059 1.00 9.06 C ATOM 999 CD GLN A 153 4.284 13.338 19.870 1.00 18.07 C ATOM 1000 OE1 GLN A 153 4.911 13.988 19.028 1.00 8.46 O ATOM 1001 NE2 GLN A 153 2.969 13.159 19.794 1.00 11.45 N ATOM 1002 HE22 GLN A 153 2.477 12.605 20.523 1.00 0.00 H ATOM 1003 HE21 GLN A 153 2.433 13.573 19.005 1.00 0.00 H ATOM 1004 H GLN A 153 4.741 12.692 23.986 1.00 0.00 H ATOM 1005 N PHE A 154 8.719 14.386 23.061 1.00 5.26 N ATOM 1006 CA PHE A 154 9.766 15.298 23.532 1.00 4.70 C ATOM 1007 C PHE A 154 10.638 15.678 22.376 1.00 9.38 C ATOM 1008 O PHE A 154 10.591 15.021 21.324 1.00 7.00 O ATOM 1009 CB PHE A 154 10.639 14.582 24.604 1.00 5.81 C ATOM 1010 CG PHE A 154 11.443 13.372 24.138 1.00 6.95 C ATOM 1011 CD1 PHE A 154 10.859 12.107 24.071 1.00 9.08 C ATOM 1012 CD2 PHE A 154 12.788 13.497 23.799 1.00 7.53 C ATOM 1013 CE1 PHE A 154 11.600 10.995 23.643 1.00 9.50 C ATOM 1014 CE2 PHE A 154 13.531 12.382 23.379 1.00 10.27 C ATOM 1015 CZ PHE A 154 12.930 11.142 23.295 1.00 7.99 C ATOM 1016 H PHE A 154 8.966 13.707 22.313 1.00 0.00 H ATOM 1017 N PHE A 155 11.519 16.681 22.594 1.00 6.75 N ATOM 1018 CA PHE A 155 12.477 17.062 21.555 1.00 6.73 C ATOM 1019 C PHE A 155 13.843 17.475 22.129 1.00 10.25 C ATOM 1020 O PHE A 155 13.946 17.881 23.299 1.00 8.93 O ATOM 1021 CB PHE A 155 11.899 18.142 20.606 1.00 8.07 C ATOM 1022 CG PHE A 155 11.568 19.482 21.231 1.00 8.11 C ATOM 1023 CD1 PHE A 155 10.367 19.675 21.912 1.00 8.97 C ATOM 1024 CD2 PHE A 155 12.418 20.575 21.067 1.00 9.24 C ATOM 1025 CE1 PHE A 155 10.033 20.933 22.437 1.00 9.40 C ATOM 1026 CE2 PHE A 155 12.091 21.828 21.608 1.00 10.53 C ATOM 1027 CZ PHE A 155 10.896 22.003 22.274 1.00 8.07 C ATOM 1028 H PHE A 155 11.516 17.184 23.504 1.00 0.00 H ATOM 1029 N ILE A 156 14.880 17.351 21.298 1.00 6.97 N ATOM 1030 CA ILE A 156 16.249 17.767 21.627 1.00 6.91 C ATOM 1031 C ILE A 156 16.589 18.868 20.620 1.00 11.15 C ATOM 1032 O ILE A 156 16.570 18.621 19.417 1.00 8.57 O ATOM 1033 CB ILE A 156 17.289 16.605 21.613 1.00 9.38 C ATOM 1034 CG1 ILE A 156 16.917 15.501 22.650 1.00 9.03 C ATOM 1035 CG2 ILE A 156 18.705 17.167 21.868 1.00 9.79 C ATOM 1036 CD1 ILE A 156 17.667 14.097 22.514 1.00 10.40 C ATOM 1037 H ILE A 156 14.708 16.934 20.361 1.00 0.00 H ATOM 1038 N CYS A 157 16.795 20.096 21.124 1.00 8.30 N ATOM 1039 CA CYS A 157 17.145 21.270 20.328 1.00 7.38 C ATOM 1040 C CYS A 157 18.517 21.135 19.720 1.00 9.89 C ATOM 1041 O CYS A 157 19.444 20.660 20.366 1.00 10.42 O ATOM 1042 CB CYS A 157 17.058 22.542 21.171 1.00 7.66 C ATOM 1043 SG CYS A 157 15.436 22.836 21.915 1.00 10.34 S ATOM 1044 H CYS A 157 16.699 20.220 22.152 1.00 0.00 H ATOM 1045 N THR A 158 18.665 21.637 18.497 1.00 7.65 N ATOM 1046 CA THR A 158 19.947 21.690 17.807 1.00 8.51 C ATOM 1047 C THR A 158 20.370 23.160 17.660 1.00 10.68 C ATOM 1048 O THR A 158 21.443 23.452 17.128 1.00 9.64 O ATOM 1049 CB THR A 158 19.912 20.879 16.512 1.00 14.64 C ATOM 1050 OG1 THR A 158 18.944 21.450 15.635 1.00 9.27 O ATOM 1051 CG2 THR A 158 19.623 19.387 16.753 1.00 10.70 C ATOM 1052 HG1 THR A 158 18.915 20.930 14.793 1.00 0.00 H ATOM 1053 H THR A 158 17.825 22.010 18.010 1.00 0.00 H ATOM 1054 N ILE A 159 19.542 24.078 18.186 1.00 6.45 N ATOM 1055 CA ILE A 159 19.782 25.538 18.197 1.00 7.60 C ATOM 1056 C ILE A 159 19.120 26.144 19.438 1.00 11.32 C ATOM 1057 O ILE A 159 18.365 25.454 20.115 1.00 10.80 O ATOM 1058 CB ILE A 159 19.215 26.251 16.915 1.00 11.03 C ATOM 1059 CG1 ILE A 159 17.684 26.062 16.784 1.00 10.89 C ATOM 1060 CG2 ILE A 159 19.960 25.874 15.631 1.00 12.32 C ATOM 1061 CD1 ILE A 159 16.951 27.182 16.080 1.00 19.11 C ATOM 1062 H ILE A 159 18.662 23.735 18.620 1.00 0.00 H ATOM 1063 N LYS A 160 19.315 27.458 19.673 1.00 7.95 N ATOM 1064 CA LYS A 160 18.621 28.188 20.735 1.00 7.11 C ATOM 1065 C LYS A 160 17.170 28.362 20.257 1.00 10.93 C ATOM 1066 O LYS A 160 16.950 28.994 19.226 1.00 11.14 O ATOM 1067 CB LYS A 160 19.281 29.559 20.980 1.00 8.86 C ATOM 1068 CG LYS A 160 18.527 30.410 22.005 1.00 16.28 C ATOM 1069 CD LYS A 160 19.173 31.755 22.204 1.00 25.46 C ATOM 1070 CE LYS A 160 18.656 32.438 23.442 1.00 35.20 C ATOM 1071 NZ LYS A 160 19.285 33.779 23.618 1.00 49.18 N ATOM 1072 HZ1 LYS A 160 20.316 33.669 23.704 1.00 0.00 H ATOM 1073 HZ2 LYS A 160 19.067 34.374 22.793 1.00 0.00 H ATOM 1074 HZ3 LYS A 160 18.910 34.226 24.479 1.00 0.00 H ATOM 1075 H LYS A 160 19.989 27.975 19.073 1.00 0.00 H ATOM 1076 N THR A 161 16.199 27.744 20.938 1.00 8.01 N ATOM 1077 CA THR A 161 14.806 27.877 20.475 1.00 8.15 C ATOM 1078 C THR A 161 14.050 28.785 21.467 1.00 13.93 C ATOM 1079 O THR A 161 13.010 28.389 22.019 1.00 12.24 O ATOM 1080 CB THR A 161 14.123 26.491 20.252 1.00 14.08 C ATOM 1081 OG1 THR A 161 13.898 25.858 21.501 1.00 12.66 O ATOM 1082 CG2 THR A 161 14.899 25.541 19.312 1.00 12.93 C ATOM 1083 HG1 THR A 161 13.309 26.427 22.057 1.00 0.00 H ATOM 1084 H THR A 161 16.423 27.178 21.781 1.00 0.00 H ATOM 1085 N ASP A 162 14.578 29.995 21.691 1.00 12.73 N ATOM 1086 CA ASP A 162 14.064 30.972 22.672 1.00 14.06 C ATOM 1087 C ASP A 162 12.554 31.295 22.552 1.00 16.69 C ATOM 1088 O ASP A 162 11.914 31.481 23.572 1.00 16.18 O ATOM 1089 CB ASP A 162 14.911 32.259 22.653 1.00 17.25 C ATOM 1090 CG ASP A 162 14.663 33.130 21.447 1.00 34.51 C ATOM 1091 OD1 ASP A 162 14.667 32.594 20.318 1.00 37.63 O ATOM 1092 OD2 ASP A 162 14.370 34.327 21.636 1.00 41.38 O ATOM 1093 H ASP A 162 15.412 30.267 21.133 1.00 0.00 H ATOM 1094 N TRP A 163 11.980 31.278 21.333 1.00 13.30 N ATOM 1095 CA TRP A 163 10.561 31.546 21.076 1.00 12.25 C ATOM 1096 C TRP A 163 9.623 30.462 21.670 1.00 13.58 C ATOM 1097 O TRP A 163 8.400 30.659 21.723 1.00 11.12 O ATOM 1098 CB TRP A 163 10.311 31.770 19.566 1.00 11.61 C ATOM 1099 CG TRP A 163 10.457 30.527 18.730 1.00 12.72 C ATOM 1100 CD1 TRP A 163 9.463 29.661 18.375 1.00 15.35 C ATOM 1101 CD2 TRP A 163 11.674 29.986 18.189 1.00 12.59 C ATOM 1102 NE1 TRP A 163 9.984 28.616 17.647 1.00 14.55 N ATOM 1103 CE2 TRP A 163 11.336 28.795 17.509 1.00 16.45 C ATOM 1104 CE3 TRP A 163 13.006 30.430 18.151 1.00 14.24 C ATOM 1105 CZ2 TRP A 163 12.286 28.030 16.815 1.00 15.97 C ATOM 1106 CZ3 TRP A 163 13.954 29.656 17.491 1.00 15.92 C ATOM 1107 CH2 TRP A 163 13.588 28.480 16.819 1.00 16.42 C ATOM 1108 HE1 TRP A 163 9.439 27.818 17.263 1.00 0.00 H ATOM 1109 H TRP A 163 12.586 31.059 20.517 1.00 0.00 H ATOM 1110 N LEU A 164 10.200 29.333 22.128 1.00 8.68 N ATOM 1111 CA LEU A 164 9.436 28.273 22.774 1.00 7.63 C ATOM 1112 C LEU A 164 9.352 28.473 24.308 1.00 12.27 C ATOM 1113 O LEU A 164 8.584 27.764 24.965 1.00 11.81 O ATOM 1114 CB LEU A 164 9.972 26.881 22.383 1.00 6.83 C ATOM 1115 CG LEU A 164 10.018 26.540 20.867 1.00 10.80 C ATOM 1116 CD1 LEU A 164 10.606 25.149 20.639 1.00 8.99 C ATOM 1117 CD2 LEU A 164 8.641 26.598 20.212 1.00 12.11 C ATOM 1118 H LEU A 164 11.227 29.214 22.016 1.00 0.00 H ATOM 1119 N ASP A 165 10.116 29.453 24.878 1.00 10.13 N ATOM 1120 CA ASP A 165 10.074 29.768 26.325 1.00 9.43 C ATOM 1121 C ASP A 165 8.666 30.174 26.720 1.00 12.58 C ATOM 1122 O ASP A 165 8.048 30.986 26.029 1.00 10.58 O ATOM 1123 CB ASP A 165 11.069 30.895 26.707 1.00 10.96 C ATOM 1124 CG ASP A 165 12.540 30.532 26.599 1.00 17.53 C ATOM 1125 OD1 ASP A 165 12.848 29.337 26.499 1.00 17.85 O ATOM 1126 OD2 ASP A 165 13.380 31.447 26.648 1.00 19.89 O ATOM 1127 H ASP A 165 10.755 30.002 24.269 1.00 0.00 H ATOM 1128 N GLY A 166 8.148 29.577 27.792 1.00 10.67 N ATOM 1129 CA GLY A 166 6.784 29.855 28.246 1.00 9.78 C ATOM 1130 C GLY A 166 5.709 29.043 27.541 1.00 11.02 C ATOM 1131 O GLY A 166 4.534 29.128 27.911 1.00 8.53 O ATOM 1132 H GLY A 166 8.728 28.895 28.321 1.00 0.00 H ATOM 1133 N LYS A 167 6.090 28.263 26.508 1.00 7.54 N ATOM 1134 CA LYS A 167 5.176 27.408 25.744 1.00 8.18 C ATOM 1135 C LYS A 167 5.497 25.914 25.917 1.00 11.72 C ATOM 1136 O LYS A 167 4.581 25.097 25.989 1.00 11.96 O ATOM 1137 CB LYS A 167 5.210 27.771 24.254 1.00 11.81 C ATOM 1138 CG LYS A 167 4.508 29.082 23.919 1.00 19.50 C ATOM 1139 CD LYS A 167 4.712 29.404 22.438 1.00 29.47 C ATOM 1140 CE LYS A 167 3.878 30.567 21.956 1.00 43.35 C ATOM 1141 NZ LYS A 167 4.436 31.868 22.404 1.00 54.73 N ATOM 1142 HZ1 LYS A 167 4.463 31.893 23.443 1.00 0.00 H ATOM 1143 HZ2 LYS A 167 5.400 31.978 22.028 1.00 0.00 H ATOM 1144 HZ3 LYS A 167 3.835 32.641 22.053 1.00 0.00 H ATOM 1145 H LYS A 167 7.094 28.269 26.237 1.00 0.00 H ATOM 1146 N HIS A 168 6.789 25.558 25.932 1.00 7.87 N ATOM 1147 CA HIS A 168 7.246 24.179 26.083 1.00 7.02 C ATOM 1148 C HIS A 168 8.030 24.022 27.376 1.00 9.41 C ATOM 1149 O HIS A 168 8.857 24.864 27.697 1.00 8.64 O ATOM 1150 CB HIS A 168 8.072 23.736 24.867 1.00 7.83 C ATOM 1151 CG HIS A 168 7.246 23.683 23.610 1.00 11.10 C ATOM 1152 ND1 HIS A 168 6.730 22.494 23.140 1.00 11.81 N ATOM 1153 CD2 HIS A 168 6.813 24.693 22.817 1.00 12.69 C ATOM 1154 CE1 HIS A 168 6.035 22.809 22.058 1.00 12.09 C ATOM 1155 NE2 HIS A 168 6.063 24.120 21.822 1.00 12.66 N ATOM 1156 H HIS A 168 7.506 26.305 25.831 1.00 0.00 H ATOM 1157 N VAL A 169 7.773 22.943 28.112 1.00 5.83 N ATOM 1158 CA VAL A 169 8.465 22.716 29.376 1.00 5.96 C ATOM 1159 C VAL A 169 9.845 22.110 29.161 1.00 8.02 C ATOM 1160 O VAL A 169 9.964 20.952 28.763 1.00 6.54 O ATOM 1161 CB VAL A 169 7.618 21.905 30.398 1.00 8.03 C ATOM 1162 CG1 VAL A 169 8.394 21.659 31.707 1.00 8.19 C ATOM 1163 CG2 VAL A 169 6.294 22.594 30.665 1.00 6.28 C ATOM 1164 H VAL A 169 7.069 22.252 27.781 1.00 0.00 H ATOM 1165 N VAL A 170 10.879 22.884 29.492 1.00 5.18 N ATOM 1166 CA VAL A 170 12.275 22.425 29.437 1.00 6.46 C ATOM 1167 C VAL A 170 12.484 21.557 30.701 1.00 9.44 C ATOM 1168 O VAL A 170 12.119 21.975 31.812 1.00 7.69 O ATOM 1169 CB VAL A 170 13.298 23.600 29.343 1.00 11.11 C ATOM 1170 CG1 VAL A 170 14.738 23.093 29.348 1.00 11.17 C ATOM 1171 CG2 VAL A 170 13.050 24.465 28.100 1.00 10.89 C ATOM 1172 H VAL A 170 10.689 23.858 29.804 1.00 0.00 H ATOM 1173 N PHE A 171 13.091 20.369 30.542 1.00 6.06 N ATOM 1174 CA PHE A 171 13.285 19.482 31.701 1.00 5.48 C ATOM 1175 C PHE A 171 14.619 18.737 31.736 1.00 10.90 C ATOM 1176 O PHE A 171 14.802 17.870 32.586 1.00 10.57 O ATOM 1177 CB PHE A 171 12.116 18.499 31.815 1.00 6.86 C ATOM 1178 CG PHE A 171 12.053 17.471 30.714 1.00 8.17 C ATOM 1179 CD1 PHE A 171 11.469 17.775 29.486 1.00 11.46 C ATOM 1180 CD2 PHE A 171 12.545 16.187 30.913 1.00 9.39 C ATOM 1181 CE1 PHE A 171 11.430 16.827 28.460 1.00 10.52 C ATOM 1182 CE2 PHE A 171 12.483 15.238 29.895 1.00 11.75 C ATOM 1183 CZ PHE A 171 11.894 15.557 28.685 1.00 8.60 C ATOM 1184 H PHE A 171 13.424 20.076 29.601 1.00 0.00 H ATOM 1185 N GLY A 172 15.537 19.083 30.847 1.00 8.66 N ATOM 1186 CA GLY A 172 16.864 18.479 30.852 1.00 8.88 C ATOM 1187 C GLY A 172 17.774 18.987 29.761 1.00 10.13 C ATOM 1188 O GLY A 172 17.437 19.934 29.046 1.00 7.22 O ATOM 1189 H GLY A 172 15.307 19.801 30.130 1.00 0.00 H ATOM 1190 N HIS A 173 18.919 18.333 29.609 1.00 6.83 N ATOM 1191 CA HIS A 173 19.883 18.673 28.570 1.00 6.31 C ATOM 1192 C HIS A 173 20.775 17.481 28.221 1.00 8.52 C ATOM 1193 O HIS A 173 20.874 16.536 29.008 1.00 6.89 O ATOM 1194 CB HIS A 173 20.717 19.912 28.952 1.00 6.53 C ATOM 1195 CG HIS A 173 21.716 19.678 30.045 1.00 9.91 C ATOM 1196 ND1 HIS A 173 21.382 19.851 31.372 1.00 11.15 N ATOM 1197 CD2 HIS A 173 23.022 19.331 29.962 1.00 12.02 C ATOM 1198 CE1 HIS A 173 22.486 19.607 32.057 1.00 11.43 C ATOM 1199 NE2 HIS A 173 23.496 19.267 31.252 1.00 11.88 N ATOM 1200 H HIS A 173 19.137 17.548 30.256 1.00 0.00 H ATOM 1201 N VAL A 174 21.420 17.533 27.042 1.00 5.56 N ATOM 1202 CA VAL A 174 22.359 16.489 26.578 1.00 5.82 C ATOM 1203 C VAL A 174 23.667 16.608 27.387 1.00 9.76 C ATOM 1204 O VAL A 174 24.277 17.681 27.423 1.00 8.82 O ATOM 1205 CB VAL A 174 22.608 16.564 25.048 1.00 8.62 C ATOM 1206 CG1 VAL A 174 23.655 15.556 24.589 1.00 8.56 C ATOM 1207 CG2 VAL A 174 21.316 16.375 24.268 1.00 7.89 C ATOM 1208 H VAL A 174 21.249 18.351 26.423 1.00 0.00 H ATOM 1209 N ILE A 175 24.077 15.509 28.039 1.00 7.21 N ATOM 1210 CA ILE A 175 25.332 15.402 28.812 1.00 7.22 C ATOM 1211 C ILE A 175 26.424 14.886 27.857 1.00 12.94 C ATOM 1212 O ILE A 175 27.572 15.333 27.883 1.00 13.30 O ATOM 1213 CB ILE A 175 25.117 14.417 30.002 1.00 9.65 C ATOM 1214 CG1 ILE A 175 24.221 15.042 31.100 1.00 8.70 C ATOM 1215 CG2 ILE A 175 26.450 13.860 30.571 1.00 10.86 C ATOM 1216 CD1 ILE A 175 24.917 16.158 32.029 1.00 7.19 C ATOM 1217 H ILE A 175 23.465 14.669 27.997 1.00 0.00 H ATOM 1218 N GLU A 176 26.049 13.920 27.029 1.00 9.16 N ATOM 1219 CA GLU A 176 26.944 13.286 26.080 1.00 9.35 C ATOM 1220 C GLU A 176 26.105 12.844 24.883 1.00 12.14 C ATOM 1221 O GLU A 176 24.925 12.534 25.038 1.00 12.35 O ATOM 1222 CB GLU A 176 27.533 12.059 26.797 1.00 11.06 C ATOM 1223 CG GLU A 176 28.478 11.200 26.004 1.00 16.00 C ATOM 1224 CD GLU A 176 28.711 9.864 26.674 1.00 26.68 C ATOM 1225 OE1 GLU A 176 29.078 9.846 27.872 1.00 11.41 O ATOM 1226 OE2 GLU A 176 28.531 8.831 25.994 1.00 14.08 O ATOM 1227 H GLU A 176 25.060 13.600 27.062 1.00 0.00 H ATOM 1228 N GLY A 177 26.739 12.751 23.731 1.00 9.80 N ATOM 1229 CA GLY A 177 26.100 12.251 22.523 1.00 10.68 C ATOM 1230 C GLY A 177 25.480 13.294 21.626 1.00 13.36 C ATOM 1231 O GLY A 177 24.577 12.977 20.853 1.00 11.39 O ATOM 1232 H GLY A 177 27.735 13.047 23.684 1.00 0.00 H ATOM 1233 N MET A 178 25.980 14.536 21.689 1.00 11.00 N ATOM 1234 CA MET A 178 25.517 15.586 20.785 1.00 11.48 C ATOM 1235 C MET A 178 25.927 15.222 19.326 1.00 15.00 C ATOM 1236 O MET A 178 25.217 15.579 18.390 1.00 15.35 O ATOM 1237 CB MET A 178 26.066 16.949 21.218 1.00 14.35 C ATOM 1238 CG MET A 178 25.293 18.105 20.671 1.00 18.64 C ATOM 1239 SD MET A 178 23.578 18.190 21.243 1.00 22.22 S ATOM 1240 CE MET A 178 22.886 19.086 19.872 1.00 18.61 C ATOM 1241 H MET A 178 26.711 14.756 22.395 1.00 0.00 H ATOM 1242 N ASP A 179 27.017 14.442 19.148 1.00 10.94 N ATOM 1243 CA ASP A 179 27.413 13.950 17.829 1.00 11.46 C ATOM 1244 C ASP A 179 26.290 13.030 17.292 1.00 13.23 C ATOM 1245 O ASP A 179 26.004 13.066 16.103 1.00 13.02 O ATOM 1246 CB ASP A 179 28.762 13.211 17.895 1.00 13.86 C ATOM 1247 CG ASP A 179 28.729 11.966 18.761 1.00 20.95 C ATOM 1248 OD1 ASP A 179 28.204 12.044 19.893 1.00 20.27 O ATOM 1249 OD2 ASP A 179 29.145 10.902 18.276 1.00 24.56 O ATOM 1250 H ASP A 179 27.592 14.184 19.975 1.00 0.00 H ATOM 1251 N VAL A 180 25.631 12.249 18.180 1.00 9.35 N ATOM 1252 CA VAL A 180 24.514 11.352 17.807 1.00 9.57 C ATOM 1253 C VAL A 180 23.297 12.214 17.405 1.00 13.68 C ATOM 1254 O VAL A 180 22.696 11.968 16.363 1.00 15.46 O ATOM 1255 CB VAL A 180 24.150 10.319 18.917 1.00 12.63 C ATOM 1256 CG1 VAL A 180 22.999 9.396 18.477 1.00 12.47 C ATOM 1257 CG2 VAL A 180 25.365 9.512 19.342 1.00 12.35 C ATOM 1258 H VAL A 180 25.925 12.281 19.177 1.00 0.00 H ATOM 1259 N VAL A 181 22.983 13.252 18.201 1.00 10.31 N ATOM 1260 CA VAL A 181 21.896 14.217 17.923 1.00 8.87 C ATOM 1261 C VAL A 181 22.138 14.881 16.568 1.00 12.09 C ATOM 1262 O VAL A 181 21.184 15.071 15.804 1.00 11.81 O ATOM 1263 CB VAL A 181 21.754 15.272 19.048 1.00 12.38 C ATOM 1264 CG1 VAL A 181 20.654 16.292 18.734 1.00 11.27 C ATOM 1265 CG2 VAL A 181 21.496 14.609 20.396 1.00 12.19 C ATOM 1266 H VAL A 181 23.541 13.385 19.069 1.00 0.00 H ATOM 1267 N LYS A 182 23.415 15.230 16.265 1.00 8.92 N ATOM 1268 CA LYS A 182 23.769 15.860 14.977 1.00 8.99 C ATOM 1269 C LYS A 182 23.578 14.873 13.812 1.00 13.31 C ATOM 1270 O LYS A 182 23.108 15.296 12.756 1.00 11.76 O ATOM 1271 CB LYS A 182 25.188 16.461 14.982 1.00 11.11 C ATOM 1272 CG LYS A 182 25.391 17.666 15.930 1.00 15.49 C ATOM 1273 CD LYS A 182 24.548 18.906 15.577 1.00 16.69 C ATOM 1274 CE LYS A 182 25.061 19.744 14.429 1.00 14.94 C ATOM 1275 NZ LYS A 182 24.161 20.914 14.197 1.00 12.46 N ATOM 1276 HZ1 LYS A 182 23.205 20.574 13.969 1.00 0.00 H ATOM 1277 HZ2 LYS A 182 24.127 21.499 15.056 1.00 0.00 H ATOM 1278 HZ3 LYS A 182 24.527 21.480 13.405 1.00 0.00 H ATOM 1279 H LYS A 182 24.166 15.048 16.961 1.00 0.00 H ATOM 1280 N LYS A 183 23.870 13.548 14.030 1.00 9.71 N ATOM 1281 CA LYS A 183 23.623 12.499 13.028 1.00 10.38 C ATOM 1282 C LYS A 183 22.117 12.376 12.802 1.00 15.89 C ATOM 1283 O LYS A 183 21.687 12.357 11.657 1.00 17.36 O ATOM 1284 CB LYS A 183 24.205 11.119 13.427 1.00 13.40 C ATOM 1285 CG LYS A 183 25.685 10.895 13.099 1.00 25.18 C ATOM 1286 CD LYS A 183 26.079 11.038 11.598 1.00 36.88 C ATOM 1287 CE LYS A 183 25.552 9.977 10.658 1.00 40.80 C ATOM 1288 NZ LYS A 183 26.240 10.030 9.338 1.00 33.84 N ATOM 1289 HZ1 LYS A 183 26.084 10.962 8.905 1.00 0.00 H ATOM 1290 HZ2 LYS A 183 27.259 9.875 9.473 1.00 0.00 H ATOM 1291 HZ3 LYS A 183 25.855 9.289 8.718 1.00 0.00 H ATOM 1292 H LYS A 183 24.284 13.274 14.944 1.00 0.00 H ATOM 1293 N ILE A 184 21.314 12.339 13.882 1.00 11.52 N ATOM 1294 CA ILE A 184 19.844 12.311 13.776 1.00 11.29 C ATOM 1295 C ILE A 184 19.351 13.497 12.950 1.00 15.63 C ATOM 1296 O ILE A 184 18.591 13.309 12.008 1.00 14.88 O ATOM 1297 CB ILE A 184 19.141 12.196 15.167 1.00 13.19 C ATOM 1298 CG1 ILE A 184 19.565 10.890 15.879 1.00 12.77 C ATOM 1299 CG2 ILE A 184 17.592 12.267 15.032 1.00 13.52 C ATOM 1300 CD1 ILE A 184 19.404 10.865 17.419 1.00 13.25 C ATOM 1301 H ILE A 184 21.747 12.330 14.827 1.00 0.00 H ATOM 1302 N GLU A 185 19.827 14.704 13.277 1.00 14.53 N ATOM 1303 CA GLU A 185 19.496 15.955 12.595 1.00 14.18 C ATOM 1304 C GLU A 185 19.740 15.911 11.078 1.00 17.87 C ATOM 1305 O GLU A 185 18.903 16.386 10.306 1.00 16.76 O ATOM 1306 CB GLU A 185 20.291 17.102 13.220 1.00 15.18 C ATOM 1307 CG GLU A 185 19.782 18.477 12.836 1.00 19.74 C ATOM 1308 CD GLU A 185 20.715 19.602 13.224 1.00 18.87 C ATOM 1309 OE1 GLU A 185 21.922 19.343 13.431 1.00 16.23 O ATOM 1310 OE2 GLU A 185 20.234 20.752 13.323 1.00 13.94 O ATOM 1311 H GLU A 185 20.485 14.757 14.081 1.00 0.00 H ATOM 1312 N SER A 186 20.873 15.333 10.661 1.00 15.41 N ATOM 1313 CA SER A 186 21.278 15.236 9.256 1.00 15.28 C ATOM 1314 C SER A 186 20.315 14.361 8.405 1.00 20.25 C ATOM 1315 O SER A 186 20.323 14.460 7.170 1.00 20.19 O ATOM 1316 CB SER A 186 22.709 14.731 9.159 1.00 15.04 C ATOM 1317 OG SER A 186 22.755 13.355 9.480 1.00 11.74 O ATOM 1318 HG SER A 186 22.422 13.221 10.403 1.00 0.00 H ATOM 1319 H SER A 186 21.506 14.927 11.380 1.00 0.00 H ATOM 1320 N PHE A 187 19.470 13.550 9.076 1.00 15.30 N ATOM 1321 CA PHE A 187 18.482 12.697 8.421 1.00 15.77 C ATOM 1322 C PHE A 187 17.077 13.334 8.413 1.00 21.17 C ATOM 1323 O PHE A 187 16.091 12.678 8.071 1.00 20.45 O ATOM 1324 CB PHE A 187 18.474 11.294 9.062 1.00 17.27 C ATOM 1325 CG PHE A 187 19.825 10.611 9.030 1.00 19.45 C ATOM 1326 CD1 PHE A 187 20.583 10.580 7.861 1.00 23.18 C ATOM 1327 CD2 PHE A 187 20.327 9.976 10.162 1.00 21.16 C ATOM 1328 CE1 PHE A 187 21.837 9.963 7.839 1.00 24.66 C ATOM 1329 CE2 PHE A 187 21.576 9.357 10.138 1.00 23.83 C ATOM 1330 CZ PHE A 187 22.319 9.351 8.974 1.00 23.01 C ATOM 1331 H PHE A 187 19.525 13.532 10.114 1.00 0.00 H ATOM 1332 N GLY A 188 17.011 14.613 8.769 1.00 16.49 N ATOM 1333 CA GLY A 188 15.762 15.354 8.779 1.00 14.71 C ATOM 1334 C GLY A 188 15.523 16.091 7.481 1.00 17.59 C ATOM 1335 O GLY A 188 16.298 15.965 6.530 1.00 18.26 O ATOM 1336 H GLY A 188 17.885 15.101 9.051 1.00 0.00 H ATOM 1337 N SER A 189 14.432 16.861 7.439 1.00 12.70 N ATOM 1338 CA SER A 189 14.025 17.678 6.300 1.00 12.87 C ATOM 1339 C SER A 189 13.163 18.813 6.861 1.00 17.72 C ATOM 1340 O SER A 189 12.784 18.756 8.045 1.00 16.84 O ATOM 1341 CB SER A 189 13.241 16.829 5.296 1.00 15.38 C ATOM 1342 OG SER A 189 12.004 16.395 5.839 1.00 20.72 O ATOM 1343 HG SER A 189 12.173 15.850 6.648 1.00 0.00 H ATOM 1344 H SER A 189 13.826 16.880 8.284 1.00 0.00 H ATOM 1345 N LYS A 190 12.844 19.830 6.031 1.00 14.94 N ATOM 1346 CA LYS A 190 12.010 20.983 6.431 1.00 16.01 C ATOM 1347 C LYS A 190 10.622 20.526 6.870 1.00 20.09 C ATOM 1348 O LYS A 190 10.040 21.137 7.757 1.00 19.36 O ATOM 1349 CB LYS A 190 11.859 22.020 5.290 1.00 19.89 C ATOM 1350 CG LYS A 190 13.155 22.491 4.643 1.00 36.16 C ATOM 1351 CD LYS A 190 12.918 23.622 3.622 1.00 44.14 C ATOM 1352 CE LYS A 190 12.664 23.127 2.213 1.00 51.93 C ATOM 1353 NZ LYS A 190 12.413 24.247 1.268 1.00 52.51 N ATOM 1354 HZ1 LYS A 190 11.578 24.782 1.581 1.00 0.00 H ATOM 1355 HZ2 LYS A 190 13.242 24.875 1.249 1.00 0.00 H ATOM 1356 HZ3 LYS A 190 12.244 23.864 0.316 1.00 0.00 H ATOM 1357 H LYS A 190 13.205 19.800 5.056 1.00 0.00 H ATOM 1358 N SER A 191 10.095 19.452 6.254 1.00 17.83 N ATOM 1359 CA SER A 191 8.771 18.901 6.592 1.00 17.87 C ATOM 1360 C SER A 191 8.764 18.158 7.916 1.00 20.17 C ATOM 1361 O SER A 191 7.692 17.927 8.476 1.00 20.67 O ATOM 1362 CB SER A 191 8.293 17.950 5.498 1.00 21.32 C ATOM 1363 OG SER A 191 9.181 16.845 5.409 1.00 29.67 O ATOM 1364 HG SER A 191 10.090 17.170 5.190 1.00 0.00 H ATOM 1365 H SER A 191 10.648 18.989 5.504 1.00 0.00 H ATOM 1366 N GLY A 192 9.942 17.748 8.372 1.00 15.15 N ATOM 1367 CA GLY A 192 10.116 16.948 9.579 1.00 13.97 C ATOM 1368 C GLY A 192 10.319 15.483 9.235 1.00 17.30 C ATOM 1369 O GLY A 192 10.788 14.713 10.068 1.00 16.65 O ATOM 1370 H GLY A 192 10.792 18.014 7.836 1.00 0.00 H ATOM 1371 N ARG A 193 9.995 15.084 7.985 1.00 13.49 N ATOM 1372 CA ARG A 193 10.147 13.692 7.512 1.00 13.15 C ATOM 1373 C ARG A 193 11.612 13.255 7.568 1.00 16.85 C ATOM 1374 O ARG A 193 12.504 14.010 7.167 1.00 15.76 O ATOM 1375 CB ARG A 193 9.591 13.562 6.074 1.00 14.63 C ATOM 1376 CG ARG A 193 9.673 12.170 5.446 1.00 31.38 C ATOM 1377 CD ARG A 193 8.525 11.260 5.856 1.00 52.90 C ATOM 1378 NE ARG A 193 8.671 9.914 5.298 1.00 71.55 N ATOM 1379 CZ ARG A 193 8.177 9.527 4.125 1.00 90.96 C ATOM 1380 NH1 ARG A 193 7.495 10.379 3.368 1.00 80.18 N ATOM 1381 NH2 ARG A 193 8.360 8.284 3.701 1.00 80.02 N ATOM 1382 HE ARG A 193 9.197 9.212 5.857 1.00 0.00 H ATOM 1383 HH12 ARG A 193 7.112 10.069 2.452 1.00 0.00 H ATOM 1384 HH11 ARG A 193 7.344 11.356 3.691 1.00 0.00 H ATOM 1385 HH22 ARG A 193 7.972 7.985 2.783 1.00 0.00 H ATOM 1386 HH21 ARG A 193 8.891 7.608 4.286 1.00 0.00 H ATOM 1387 H ARG A 193 9.620 15.792 7.322 1.00 0.00 H ATOM 1388 N THR A 194 11.859 12.034 8.068 1.00 14.87 N ATOM 1389 CA THR A 194 13.223 11.505 8.139 1.00 14.65 C ATOM 1390 C THR A 194 13.550 10.712 6.872 1.00 19.89 C ATOM 1391 O THR A 194 12.662 10.056 6.311 1.00 19.43 O ATOM 1392 CB THR A 194 13.479 10.750 9.444 1.00 17.74 C ATOM 1393 OG1 THR A 194 12.475 9.745 9.631 1.00 16.55 O ATOM 1394 CG2 THR A 194 13.504 11.674 10.640 1.00 15.83 C ATOM 1395 HG1 THR A 194 12.648 9.261 10.477 1.00 0.00 H ATOM 1396 H THR A 194 11.068 11.453 8.411 1.00 0.00 H ATOM 1397 N SER A 195 14.808 10.823 6.398 1.00 16.54 N ATOM 1398 CA SER A 195 15.287 10.117 5.212 1.00 18.22 C ATOM 1399 C SER A 195 15.698 8.689 5.568 1.00 22.22 C ATOM 1400 O SER A 195 15.903 7.871 4.673 1.00 22.70 O ATOM 1401 CB SER A 195 16.451 10.864 4.560 1.00 22.01 C ATOM 1402 OG SER A 195 17.598 10.864 5.392 1.00 27.44 O ATOM 1403 HG SER A 195 18.331 11.354 4.942 1.00 0.00 H ATOM 1404 H SER A 195 15.472 11.444 6.903 1.00 0.00 H ATOM 1405 N LYS A 196 15.847 8.402 6.874 1.00 18.42 N ATOM 1406 CA LYS A 196 16.185 7.078 7.425 1.00 17.86 C ATOM 1407 C LYS A 196 15.253 6.819 8.614 1.00 19.24 C ATOM 1408 O LYS A 196 14.762 7.790 9.192 1.00 17.77 O ATOM 1409 CB LYS A 196 17.663 7.022 7.873 1.00 19.10 C ATOM 1410 CG LYS A 196 18.648 7.235 6.741 1.00 23.49 C ATOM 1411 CD LYS A 196 20.035 6.780 7.111 1.00 28.47 C ATOM 1412 CE LYS A 196 20.972 6.925 5.948 1.00 37.60 C ATOM 1413 NZ LYS A 196 22.274 6.274 6.227 1.00 53.85 N ATOM 1414 HZ1 LYS A 196 22.709 6.715 7.062 1.00 0.00 H ATOM 1415 HZ2 LYS A 196 22.122 5.261 6.408 1.00 0.00 H ATOM 1416 HZ3 LYS A 196 22.901 6.390 5.406 1.00 0.00 H ATOM 1417 H LYS A 196 15.712 9.180 7.551 1.00 0.00 H ATOM 1418 N LYS A 197 14.973 5.539 8.963 1.00 14.62 N ATOM 1419 CA LYS A 197 14.119 5.214 10.127 1.00 13.51 C ATOM 1420 C LYS A 197 15.001 5.267 11.364 1.00 15.84 C ATOM 1421 O LYS A 197 15.903 4.434 11.526 1.00 15.87 O ATOM 1422 CB LYS A 197 13.425 3.847 9.991 1.00 16.61 C ATOM 1423 CG LYS A 197 12.290 3.669 10.992 1.00 25.83 C ATOM 1424 CD LYS A 197 11.711 2.256 10.945 1.00 41.32 C ATOM 1425 CE LYS A 197 10.556 2.092 11.904 1.00 51.96 C ATOM 1426 NZ LYS A 197 10.105 0.679 11.985 1.00 62.38 N ATOM 1427 HZ1 LYS A 197 9.798 0.360 11.044 1.00 0.00 H ATOM 1428 HZ2 LYS A 197 10.892 0.084 12.314 1.00 0.00 H ATOM 1429 HZ3 LYS A 197 9.311 0.608 12.653 1.00 0.00 H ATOM 1430 H LYS A 197 15.370 4.763 8.396 1.00 0.00 H ATOM 1431 N ILE A 198 14.763 6.273 12.219 1.00 11.13 N ATOM 1432 CA ILE A 198 15.552 6.544 13.420 1.00 8.84 C ATOM 1433 C ILE A 198 14.847 5.962 14.632 1.00 11.65 C ATOM 1434 O ILE A 198 13.798 6.453 15.025 1.00 12.12 O ATOM 1435 CB ILE A 198 15.842 8.062 13.521 1.00 11.10 C ATOM 1436 CG1 ILE A 198 16.601 8.548 12.264 1.00 11.29 C ATOM 1437 CG2 ILE A 198 16.611 8.401 14.797 1.00 11.30 C ATOM 1438 CD1 ILE A 198 16.420 9.992 11.960 1.00 16.29 C ATOM 1439 H ILE A 198 13.962 6.904 12.013 1.00 0.00 H ATOM 1440 N VAL A 199 15.411 4.901 15.196 1.00 7.48 N ATOM 1441 CA VAL A 199 14.811 4.141 16.280 1.00 7.97 C ATOM 1442 C VAL A 199 15.599 4.186 17.560 1.00 12.50 C ATOM 1443 O VAL A 199 16.819 4.015 17.539 1.00 12.95 O ATOM 1444 CB VAL A 199 14.621 2.652 15.788 1.00 11.24 C ATOM 1445 CG1 VAL A 199 13.870 1.790 16.799 1.00 10.93 C ATOM 1446 CG2 VAL A 199 13.953 2.578 14.413 1.00 11.12 C ATOM 1447 H VAL A 199 16.339 4.595 14.840 1.00 0.00 H ATOM 1448 N ILE A 200 14.879 4.333 18.690 1.00 9.35 N ATOM 1449 CA ILE A 200 15.448 4.200 20.035 1.00 8.73 C ATOM 1450 C ILE A 200 15.413 2.676 20.308 1.00 12.15 C ATOM 1451 O ILE A 200 14.358 2.132 20.613 1.00 11.42 O ATOM 1452 CB ILE A 200 14.658 5.017 21.091 1.00 10.00 C ATOM 1453 CG1 ILE A 200 14.625 6.505 20.689 1.00 9.45 C ATOM 1454 CG2 ILE A 200 15.269 4.787 22.501 1.00 9.30 C ATOM 1455 CD1 ILE A 200 13.580 7.427 21.402 1.00 6.50 C ATOM 1456 H ILE A 200 13.866 4.552 18.603 1.00 0.00 H ATOM 1457 N THR A 201 16.532 1.987 20.077 1.00 10.41 N ATOM 1458 CA THR A 201 16.626 0.531 20.236 1.00 10.77 C ATOM 1459 C THR A 201 16.616 0.104 21.710 1.00 13.98 C ATOM 1460 O THR A 201 16.108 -0.965 22.036 1.00 13.08 O ATOM 1461 CB THR A 201 17.846 -0.034 19.501 1.00 18.35 C ATOM 1462 OG1 THR A 201 19.031 0.535 20.059 1.00 19.22 O ATOM 1463 CG2 THR A 201 17.793 0.225 18.012 1.00 17.51 C ATOM 1464 HG1 THR A 201 19.085 0.306 21.021 1.00 0.00 H ATOM 1465 H THR A 201 17.379 2.507 19.769 1.00 0.00 H ATOM 1466 N ASP A 202 17.215 0.935 22.579 1.00 9.56 N ATOM 1467 CA ASP A 202 17.318 0.727 24.023 1.00 8.74 C ATOM 1468 C ASP A 202 17.351 2.093 24.700 1.00 11.82 C ATOM 1469 O ASP A 202 17.791 3.075 24.100 1.00 10.66 O ATOM 1470 CB ASP A 202 18.611 -0.038 24.395 1.00 11.16 C ATOM 1471 CG ASP A 202 18.941 -1.248 23.547 1.00 16.07 C ATOM 1472 OD1 ASP A 202 18.712 -2.383 24.018 1.00 16.72 O ATOM 1473 OD2 ASP A 202 19.447 -1.060 22.425 1.00 18.52 O ATOM 1474 H ASP A 202 17.642 1.801 22.192 1.00 0.00 H ATOM 1475 N CYS A 203 16.893 2.148 25.951 1.00 8.30 N ATOM 1476 CA CYS A 203 16.890 3.347 26.776 1.00 7.16 C ATOM 1477 C CYS A 203 16.768 2.876 28.208 1.00 11.27 C ATOM 1478 O CYS A 203 16.327 1.752 28.444 1.00 11.47 O ATOM 1479 CB CYS A 203 15.749 4.289 26.385 1.00 7.13 C ATOM 1480 SG CYS A 203 14.145 3.480 26.132 1.00 10.79 S ATOM 1481 H CYS A 203 16.512 1.274 26.366 1.00 0.00 H ATOM 1482 N GLY A 204 17.189 3.699 29.152 1.00 6.95 N ATOM 1483 CA GLY A 204 17.096 3.340 30.558 1.00 6.29 C ATOM 1484 C GLY A 204 17.721 4.394 31.436 1.00 10.43 C ATOM 1485 O GLY A 204 18.048 5.472 30.962 1.00 9.33 O ATOM 1486 H GLY A 204 17.594 4.619 28.885 1.00 0.00 H ATOM 1487 N GLN A 205 17.939 4.065 32.695 1.00 8.84 N ATOM 1488 CA GLN A 205 18.506 4.982 33.654 1.00 8.45 C ATOM 1489 C GLN A 205 19.920 4.551 34.013 1.00 11.95 C ATOM 1490 O GLN A 205 20.151 3.399 34.359 1.00 11.68 O ATOM 1491 CB GLN A 205 17.610 5.048 34.906 1.00 9.79 C ATOM 1492 CG GLN A 205 18.100 6.028 35.981 1.00 9.11 C ATOM 1493 CD GLN A 205 17.078 6.252 37.061 1.00 15.28 C ATOM 1494 OE1 GLN A 205 16.035 5.605 37.096 1.00 8.86 O ATOM 1495 NE2 GLN A 205 17.322 7.221 37.936 1.00 4.93 N ATOM 1496 HE22 GLN A 205 18.213 7.755 37.886 1.00 0.00 H ATOM 1497 HE21 GLN A 205 16.622 7.446 38.671 1.00 0.00 H ATOM 1498 H GLN A 205 17.692 3.105 33.009 1.00 0.00 H ATOM 1499 N LEU A 206 20.850 5.500 33.970 1.00 7.10 N ATOM 1500 CA LEU A 206 22.241 5.258 34.346 1.00 7.20 C ATOM 1501 C LEU A 206 22.468 5.508 35.844 1.00 10.19 C ATOM 1502 O LEU A 206 23.324 4.862 36.441 1.00 10.45 O ATOM 1503 CB LEU A 206 23.174 6.176 33.512 1.00 6.52 C ATOM 1504 CG LEU A 206 23.245 5.876 32.026 1.00 8.92 C ATOM 1505 CD1 LEU A 206 24.096 6.918 31.311 1.00 9.22 C ATOM 1506 CD2 LEU A 206 23.764 4.482 31.769 1.00 9.64 C ATOM 1507 H LEU A 206 20.576 6.453 33.656 1.00 0.00 H ATOM 1508 N SER A 207 21.763 6.509 36.426 1.00 7.56 N ATOM 1509 CA SER A 207 21.862 6.867 37.851 1.00 9.77 C ATOM 1510 C SER A 207 20.707 7.768 38.256 1.00 8.79 C ATOM 1511 O SER A 207 20.553 8.025 39.461 1.00 12.44 O ATOM 1512 CB SER A 207 23.190 7.560 38.169 1.00 11.53 C ATOM 1513 OG SER A 207 23.381 8.745 37.410 1.00 14.00 O ATOM 1514 OXT SER A 207 20.024 8.293 37.373 1.00 13.68 O ATOM 1515 HG SER A 207 24.250 9.154 37.651 1.00 0.00 H ATOM 1516 H SER A 207 21.112 7.058 35.829 1.00 0.00 H TER 1517 SER A 207 HETATM 1518 O HOH 1 -8.142 18.144 23.541 1.00 11.00 O HETATM 1519 O HOH 2 10.368 7.781 20.408 1.00 20.35 O HETATM 1520 O HOH 3 18.947 9.784 40.519 1.00 11.58 O HETATM 1521 O HOH 4 16.581 5.462 3.938 1.00 16.36 O HETATM 1522 O HOH 5 7.202 3.100 32.029 1.00 10.99 O HETATM 1523 O HOH 6 30.930 8.104 28.608 1.00 11.34 O HETATM 1524 O HOH 7 21.420 1.260 18.792 1.00 23.54 O HETATM 1525 O HOH 8 27.662 9.077 23.493 1.00 9.56 O HETATM 1526 O HOH 9 -4.659 23.640 25.665 1.00 22.34 O HETATM 1527 O HOH 10 4.500 15.517 25.128 1.00 7.57 O HETATM 1528 O HOH 11 6.211 20.426 40.528 1.00 17.15 O HETATM 1529 O HOH 12 7.495 2.562 39.060 1.00 21.71 O HETATM 1530 O HOH 13 -2.046 10.269 25.314 1.00 14.91 O HETATM 1531 O HOH 14 11.346 13.616 39.740 1.00 11.75 O HETATM 1532 O HOH 15 -8.931 22.123 21.045 1.00 23.48 O HETATM 1533 O HOH 16 21.938 20.463 36.774 1.00 19.33 O HETATM 1534 O HOH 17 5.472 12.281 39.729 1.00 16.68 O HETATM 1535 O HOH 18 15.886 2.959 37.552 1.00 17.75 O HETATM 1536 O HOH 19 12.580 8.096 11.795 1.00 10.26 O HETATM 1537 O HOH 20 30.161 11.669 29.533 1.00 8.96 O HETATM 1538 O HOH 21 10.521 25.441 30.920 1.00 7.18 O HETATM 1539 O HOH 22 14.224 -2.361 20.710 1.00 23.37 O HETATM 1540 O HOH 23 12.758 17.765 43.094 1.00 15.00 O HETATM 1541 O HOH 24 2.033 25.418 26.950 1.00 11.92 O HETATM 1542 O HOH 25 19.782 -3.581 13.585 1.00 21.35 O HETATM 1543 O HOH 26 29.026 8.370 19.218 1.00 24.96 O HETATM 1544 O HOH 27 6.729 6.817 39.406 1.00 26.45 O HETATM 1545 O HOH 28 11.207 8.088 41.086 1.00 24.36 O HETATM 1546 O HOH 29 26.969 8.543 15.045 1.00 29.23 O HETATM 1547 O HOH 30 19.663 9.789 4.008 1.00 36.23 O HETATM 1548 O HOH 31 7.896 9.120 17.951 1.00 11.55 O HETATM 1549 O HOH 32 29.265 10.621 21.940 1.00 22.55 O HETATM 1550 O HOH 33 7.578 6.421 17.206 1.00 16.50 O HETATM 1551 O HOH 34 2.058 28.088 27.535 1.00 11.74 O HETATM 1552 O HOH 35 -4.710 13.804 23.407 1.00 14.24 O HETATM 1553 O HOH 36 8.043 6.894 12.852 1.00 29.49 O HETATM 1554 O HOH 37 23.689 21.972 16.752 1.00 23.43 O HETATM 1555 O HOH 38 9.710 27.263 28.644 1.00 11.30 O HETATM 1556 O HOH 39 23.184 17.810 11.575 1.00 13.91 O HETATM 1557 O HOH 40 16.791 2.118 12.640 1.00 17.58 O HETATM 1558 O HOH 41 21.130 31.419 25.407 1.00 31.29 O HETATM 1559 O HOH 42 3.249 30.918 29.509 1.00 27.48 O HETATM 1560 O HOH 43 27.655 14.053 14.177 1.00 11.41 O HETATM 1561 O HOH 44 8.276 14.098 30.648 1.00 9.96 O HETATM 1562 O HOH 45 21.752 -1.204 25.299 1.00 32.88 O HETATM 1563 O HOH 46 1.571 21.482 27.085 1.00 4.82 O HETATM 1564 O HOH 47 21.641 0.157 7.153 1.00 34.30 O HETATM 1565 O HOH 48 31.393 14.867 25.804 1.00 20.83 O HETATM 1566 O HOH 49 11.325 3.404 40.315 1.00 26.02 O HETATM 1567 O HOH 50 17.874 25.214 30.063 1.00 10.81 O HETATM 1568 O HOH 51 23.688 20.035 26.173 1.00 23.07 O HETATM 1569 O HOH 52 15.933 31.004 25.788 1.00 20.48 O HETATM 1570 O HOH 53 17.049 16.305 41.936 1.00 10.69 O HETATM 1571 O HOH 54 4.447 25.415 20.035 1.00 17.53 O HETATM 1572 O HOH 55 18.133 30.819 17.563 1.00 28.86 O HETATM 1573 O HOH 56 28.309 6.322 27.083 1.00 12.70 O HETATM 1574 O HOH 57 5.636 20.302 19.913 1.00 8.27 O HETATM 1575 O HOH 58 21.623 13.497 4.935 1.00 36.06 O HETATM 1576 O HOH 59 13.931 3.870 6.274 1.00 29.57 O HETATM 1577 O HOH 60 15.533 22.794 43.116 1.00 26.62 O HETATM 1578 O HOH 61 21.526 28.537 18.406 1.00 18.44 O HETATM 1579 O HOH 62 29.118 10.012 15.654 1.00 33.32 O HETATM 1580 O HOH 63 16.258 29.075 34.194 1.00 14.02 O HETATM 1581 O HOH 64 10.932 23.525 8.850 1.00 33.41 O HETATM 1582 O HOH 65 -5.959 13.317 25.866 1.00 15.71 O HETATM 1583 O HOH 66 28.154 17.805 26.741 1.00 31.14 O HETATM 1584 O HOH 67 15.255 22.502 8.156 1.00 24.47 O HETATM 1585 O HOH 68 -2.051 9.330 37.729 1.00 24.26 O HETATM 1586 O HOH 69 12.714 11.304 38.555 1.00 8.15 O HETATM 1587 O HOH 70 7.695 -1.499 29.280 1.00 24.05 O HETATM 1588 O HOH 71 0.405 26.284 30.805 1.00 10.82 O HETATM 1589 O HOH 72 7.003 23.414 39.671 1.00 21.26 O HETATM 1590 O HOH 73 5.231 19.633 32.326 1.00 3.00 O HETATM 1591 O HOH 74 10.417 -0.563 9.482 1.00 26.66 O HETATM 1592 O HOH 75 28.753 9.080 10.171 1.00 23.72 O HETATM 1593 O HOH 76 17.269 28.378 31.778 1.00 12.41 O HETATM 1594 O HOH 77 5.111 15.535 15.116 1.00 14.16 O HETATM 1595 O HOH 78 -1.309 6.621 30.844 1.00 20.75 O HETATM 1596 O HOH 79 5.226 21.686 27.324 1.00 18.46 O HETATM 1597 O HOH 80 3.248 17.955 44.260 1.00 25.15 O HETATM 1598 O HOH 81 2.742 12.570 23.764 1.00 12.59 O HETATM 1599 O HOH 82 11.131 -1.274 17.146 1.00 28.29 O HETATM 1600 O HOH 83 0.957 7.420 10.442 1.00 20.95 O HETATM 1601 O HOH 84 11.162 2.122 27.409 1.00 4.51 O HETATM 1602 O HOH 85 21.701 23.060 14.063 1.00 18.82 O HETATM 1603 O HOH 86 -2.348 7.101 21.916 1.00 24.75 O HETATM 1604 O HOH 87 3.229 18.891 35.619 1.00 7.54 O HETATM 1605 O HOH 88 6.482 28.944 35.243 1.00 3.00 O HETATM 1606 O HOH 89 11.882 7.447 8.072 1.00 27.32 O HETATM 1607 O HOH 90 17.395 1.350 33.325 1.00 8.64 O HETATM 1608 O HOH 91 19.328 24.681 37.415 1.00 28.08 O HETATM 1609 O HOH 92 -0.697 24.296 34.413 1.00 30.21 O HETATM 1610 O HOH 93 30.196 14.244 28.122 1.00 14.72 O HETATM 1611 O HOH 94 8.048 26.769 16.653 1.00 20.48 O HETATM 1612 O HOH 95 15.557 7.578 40.151 1.00 24.70 O HETATM 1613 O HOH 96 12.819 0.648 37.512 1.00 29.97 O HETATM 1614 O HOH 97 2.904 16.452 16.420 1.00 23.01 O HETATM 1615 O HOH 98 8.193 0.004 24.642 1.00 25.25 O HETATM 1616 O HOH 99 15.271 8.391 1.923 1.00 28.83 O HETATM 1617 O HOH 100 11.405 -1.931 33.313 1.00 26.91 O HETATM 1618 O HOH 101 9.710 10.825 9.555 1.00 20.71 O HETATM 1619 O HOH 102 23.806 26.553 28.886 1.00 34.31 O HETATM 1620 O HOH 103 11.232 24.430 33.439 1.00 13.79 O HETATM 1621 O HOH 104 5.424 1.272 22.158 1.00 28.74 O HETATM 1622 O HOH 105 19.527 21.850 32.363 1.00 22.19 O HETATM 1623 O HOH 106 9.927 25.300 12.855 1.00 36.49 O HETATM 1624 O HOH 107 27.828 7.193 21.517 1.00 14.50 O HETATM 1625 O HOH 108 23.330 3.036 19.465 1.00 24.66 O HETATM 1626 O HOH 109 25.154 21.522 11.504 1.00 40.77 O HETATM 1627 O HOH 110 20.896 26.697 8.779 1.00 33.07 O HETATM 1628 O HOH 111 22.411 7.903 41.763 1.00 39.97 O HETATM 1629 O HOH 112 25.189 1.111 30.217 1.00 35.84 O HETATM 1630 O HOH 113 10.829 18.652 3.488 1.00 23.95 O HETATM 1631 O HOH 114 1.635 23.247 37.015 1.00 20.65 O HETATM 1632 O HOH 115 26.635 5.529 29.243 1.00 16.11 O HETATM 1633 O HOH 116 17.062 25.618 22.844 1.00 13.85 O HETATM 1634 O HOH 117 13.309 0.258 28.332 1.00 26.80 O HETATM 1635 O HOH 118 0.734 -0.728 31.613 1.00 26.73 O HETATM 1636 O HOH 119 16.651 -0.145 14.327 1.00 27.93 O HETATM 1637 O HOH 120 21.416 21.930 9.632 1.00 26.73 O HETATM 1638 O HOH 121 4.219 11.629 10.737 1.00 29.04 O HETATM 1639 O HOH 122 21.086 3.589 5.357 1.00 21.35 O HETATM 1640 O HOH 123 21.041 19.720 41.282 1.00 37.90 O HETATM 1641 O HOH 124 22.593 3.036 38.817 1.00 28.36 O HETATM 1642 O HOH 125 11.410 35.179 21.899 1.00 39.48 O HETATM 1643 O HOH 126 6.177 15.854 42.543 1.00 22.54 O HETATM 1644 O HOH 127 19.689 22.343 42.375 1.00 42.47 O HETATM 1645 O HOH 128 2.769 26.413 34.495 1.00 38.28 O HETATM 1646 O HOH 129 7.128 14.632 10.783 1.00 23.39 O HETATM 1647 O HOH 130 0.826 0.880 26.044 1.00 39.49 O HETATM 1648 O HOH 131 30.766 7.592 24.150 1.00 23.08 O HETATM 1649 O HOH 132 13.275 6.459 5.849 1.00 30.19 O HETATM 1650 O HOH 133 31.973 13.165 20.111 1.00 28.10 O HETATM 1651 O HOH 134 5.497 0.863 24.863 1.00 18.72 O HETATM 1652 O HOH 135 24.969 21.894 27.738 1.00 31.15 O HETATM 1653 O HOH 136 8.149 1.635 14.411 1.00 25.87 O HETATM 1654 O HOH 137 1.844 -0.102 35.929 1.00 29.08 O HETATM 1655 O HOH 138 3.537 22.959 19.260 1.00 20.88 O HETATM 1656 O HOH 139 2.159 6.885 37.901 1.00 37.01 O HETATM 1657 O HOH 140 16.883 -1.472 8.968 1.00 33.66 O HETATM 1658 O HOH 141 24.138 2.172 5.763 1.00 40.44 O HETATM 1659 O HOH 142 8.865 -0.024 27.305 1.00 30.12 O HETATM 1660 O HOH 143 5.805 8.726 10.438 1.00 43.57 O HETATM 1661 O HOH 144 14.006 3.689 39.917 1.00 33.01 O HETATM 1662 O HOH 145 27.412 29.073 27.672 1.00 28.96 O HETATM 1663 O HOH 146 10.242 34.165 24.724 1.00 32.37 O HETATM 1664 O HOH 147 14.275 19.749 2.913 1.00 30.10 O HETATM 1665 O HOH 148 -3.336 7.100 28.715 1.00 19.97 O HETATM 1666 O HOH 149 26.381 14.642 11.807 1.00 24.19 O HETATM 1667 O HOH 150 7.249 14.013 40.857 1.00 23.13 O HETATM 1668 O HOH 151 13.001 6.080 40.738 1.00 31.66 O HETATM 1669 O HOH 152 21.676 23.206 39.791 1.00 34.59 O HETATM 1670 O HOH 153 -2.090 9.218 9.765 1.00 14.99 O HETATM 1671 O HOH 154 -0.074 24.370 19.381 1.00 29.31 O HETATM 1672 O HOH 155 24.732 -2.708 11.977 1.00 35.58 O HETATM 1673 O HOH 156 3.199 27.112 37.600 1.00 35.46 O HETATM 1674 O HOH 157 25.706 -0.712 28.292 1.00 45.10 O HETATM 1675 O HOH 158 4.998 15.085 12.436 1.00 37.16 O HETATM 1676 O HOH 159 18.977 6.777 2.816 1.00 36.75 O HETATM 1677 O HOH 160 28.509 17.670 17.913 1.00 20.51 O HETATM 1678 O HOH 161 19.986 3.747 38.387 1.00 29.64 O HETATM 1679 O HOH 162 -11.280 20.966 22.120 1.00 27.64 O HETATM 1680 O HOH 163 -1.776 21.596 17.739 1.00 28.59 O HETATM 1681 O HOH 164 21.778 18.907 9.514 1.00 31.81 O HETATM 1682 O HOH 165 3.186 32.781 27.447 1.00 27.97 O HETATM 1683 O HOH 166 23.346 21.652 34.774 1.00 24.46 O HETATM 1684 O HOH 167 23.245 -1.279 3.556 1.00 25.83 O HETATM 1685 O HOH 168 26.560 -2.914 3.389 1.00 44.49 O HETATM 1686 O HOH 169 32.245 7.356 26.395 1.00 19.02 O HETATM 1687 O HOH 170 17.712 6.100 41.787 1.00 30.46 O HETATM 1688 O HOH 171 16.536 10.584 43.934 1.00 13.71 O HETATM 1689 O HOH 172 9.440 12.721 41.818 1.00 33.37 O HETATM 1690 O HOH 173 3.170 21.867 9.247 1.00 27.19 O HETATM 1691 O HOH 174 -4.087 8.272 11.681 1.00 24.71 O HETATM 1692 O HOH 175 0.807 21.327 17.040 1.00 47.75 O HETATM 1693 O HOH 176 27.494 2.213 18.914 1.00 24.32 O HETATM 1694 O HOH 177 29.554 12.033 13.953 1.00 13.27 O HETATM 1695 O HOH 178 11.759 -3.381 21.424 1.00 33.43 O HETATM 1696 O HOH 179 15.661 -2.155 15.792 1.00 32.96 O HETATM 1697 O HOH 180 14.664 -0.905 10.447 1.00 50.52 O HETATM 1698 O HOH 181 16.736 21.641 5.619 1.00 33.32 O HETATM 1699 O HOH 182 13.399 24.393 8.217 1.00 18.07 O HETATM 1700 O HOH 183 12.254 13.988 42.263 1.00 21.20 O HETATM 1701 O HOH 184 -3.325 7.996 26.205 1.00 30.73 O HETATM 1702 O HOH 185 14.554 10.607 40.426 1.00 17.34 O HETATM 1703 O HOH 186 2.091 10.388 9.205 1.00 24.59 O HETATM 1704 O HOH 187 22.091 27.526 31.049 1.00 18.61 O HETATM 1705 O HOH 188 26.908 -1.200 12.635 1.00 36.37 O HETATM 1706 O HOH 189 14.703 26.835 4.103 1.00 28.21 O HETATM 1707 O HOH 190 27.311 -4.072 9.075 1.00 27.43 O HETATM 1708 O HOH 191 16.898 31.083 15.161 1.00 22.06 O HETATM 1709 O HOH 192 0.189 28.587 29.374 1.00 23.83 O HETATM 1710 O HOH 193 0.833 29.443 25.198 1.00 28.58 O HETATM 1711 O HOH 194 25.504 22.002 18.731 1.00 31.12 O HETATM 1712 O HOH 195 18.146 -6.419 26.231 1.00 36.83 O HETATM 1713 O HOH 196 -2.977 6.223 24.313 1.00 25.35 O HETATM 1714 O HOH 197 34.355 18.247 24.384 1.00 34.89 O HETATM 1715 O HOH 198 7.972 2.143 8.014 1.00 37.45 O HETATM 1716 O HOH 199 8.579 -1.336 39.891 1.00 22.94 O HETATM 1717 O HOH 200 29.397 4.741 20.741 1.00 39.63 O HETATM 1718 C1 JVN A 201 1.429 16.351 20.193 1.00 0.11 C HETATM 1719 C2 JVN A 201 2.342 16.561 21.223 1.00 -0.05 C HETATM 1720 C3 JVN A 201 2.118 15.999 22.476 1.00 -0.05 C HETATM 1721 C4 JVN A 201 1.000 15.191 22.686 1.00 0.04 C HETATM 1722 C5 JVN A 201 0.101 14.952 21.629 1.00 0.00 C HETATM 1723 C8 JVN A 201 -1.166 14.118 21.859 1.00 0.09 C HETATM 1724 C10 JVN A 201 -0.912 13.108 23.006 1.00 0.01 C HETATM 1725 C15 JVN A 201 -0.484 13.897 24.282 1.00 0.07 C HETATM 1726 C14 JVN A 201 -1.619 14.855 24.726 1.00 0.10 C HETATM 1727 C13 JVN A 201 -2.113 15.737 23.556 1.00 0.08 C HETATM 1728 O12 JVN A 201 -2.246 14.988 22.309 1.00 -0.36 O HETATM 1729 H6 JVN A 201 -1.393 16.554 23.402 1.00 0.06 H HETATM 1730 H7 JVN A 201 -3.094 16.158 23.821 1.00 0.06 H HETATM 1731 O17 JVN A 201 -2.720 14.092 25.229 1.00 -0.39 O HETATM 1732 H10 JVN A 201 -2.432 13.576 25.973 1.00 0.21 H HETATM 1733 H8 JVN A 201 -1.236 15.508 25.524 1.00 0.06 H HETATM 1734 N9 JVN A 201 0.767 14.641 23.976 1.00 -0.32 N HETATM 1735 H12 JVN A 201 1.478 14.760 24.712 1.00 0.17 H HETATM 1736 H9 JVN A 201 -0.286 13.186 25.098 1.00 0.06 H HETATM 1737 H4 JVN A 201 -0.112 12.412 22.716 1.00 0.03 H HETATM 1738 H5 JVN A 201 -1.833 12.543 23.212 1.00 0.03 H HETATM 1739 H3 JVN A 201 -1.448 13.594 20.934 1.00 0.07 H HETATM 1740 C6 JVN A 201 0.318 15.540 20.387 1.00 -0.04 C HETATM 1741 H11 JVN A 201 -0.377 15.366 19.574 1.00 0.05 H HETATM 1742 H2 JVN A 201 2.811 16.189 23.288 1.00 0.05 H HETATM 1743 H1 JVN A 201 3.227 17.162 21.049 1.00 0.05 H HETATM 1744 F7 JVN A 201 1.645 16.908 18.984 1.00 -0.20 F CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1718 1719 1740 1744 CONECT 1719 1718 1720 1743 CONECT 1720 1719 1721 1742 CONECT 1721 1720 1722 1734 CONECT 1722 1721 1723 1740 CONECT 1723 1722 1724 1728 1739 CONECT 1724 1723 1725 1737 1738 CONECT 1725 1724 1726 1734 1736 CONECT 1726 1725 1727 1731 1733 CONECT 1727 1726 1728 1729 1730 CONECT 1728 1723 1727 CONECT 1729 1727 CONECT 1730 1727 CONECT 1731 1726 1732 CONECT 1732 1731 CONECT 1733 1726 CONECT 1734 1721 1725 1735 CONECT 1735 1734 CONECT 1736 1725 CONECT 1737 1724 CONECT 1738 1724 CONECT 1739 1723 CONECT 1740 1718 1722 1741 CONECT 1741 1740 CONECT 1742 1720 CONECT 1743 1719 CONECT 1744 1718 MASTER 0 0 0 0 0 0 0 0 1743 1 31 13 END
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Related entries of code: 6r9s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4j58
RCSB PDB
PDBbind
164aa, >4J58_1|Chain... at 100%
4j59
RCSB PDB
PDBbind
164aa, >4J59_1|Chain... at 100%
4j5b
RCSB PDB
PDBbind
164aa, >4J5B_1|Chain... at 100%
4j5c
RCSB PDB
PDBbind
164aa, >4J5C_1|Chain... at 100%
4j5d
RCSB PDB
PDBbind
164aa, >4J5D_1|Chain... at 100%
4j5e
RCSB PDB
PDBbind
164aa, >4J5E_1|Chain... at 100%
6ra1
RCSB PDB
PDBbind
164aa, >6RA1_1|Chain... at 100%
6r9x
RCSB PDB
PDBbind
164aa, >6R9X_1|Chain... at 100%
6r9u
RCSB PDB
PDBbind
164aa, >6R9U_1|Chain... at 100%
6r8w
RCSB PDB
PDBbind
164aa, >6R8W_1|Chain... at 100%
6r8o
RCSB PDB
PDBbind
164aa, >6R8O_1|Chain... at 100%
6r8l
RCSB PDB
PDBbind
164aa, >6R8L_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6r9s
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human Cyclophilin D
Ligand Name
JVN
EC.Number
E.C.5.2.1.8
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=7.1mM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Bioorg.Med.Chem.Lett. Vol. 29: pp. 126717-126717
Ligand Properties
Formula
C
1
1
H
1
2
FNO
2
Molecular Weight
209.217
Exact Mass
209.085
No. of atoms
27
No. of bonds
29
Polar Surface Area
41.49
LOGP Value
1.04 (
Computed with XLOGP3
)
1.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 3
Canonical SMILES
O[C@@H]1CO[C@@H]2C[C@H]1Nc1c2cc(cc1)F
InChI String
InChI=1S/C11H12FNO2/c12-6-1-2-8-7(3-6)11-4-9(13-8)10(14)5-15-11/h1-3,9-11,13-14H,4-5H2/t9-,10-,11-/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):
P30405
Entrez Gene ID
NCBI Entrez Gene ID:
10105
ASD
Information of known allosteric effects of PDB entries
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