Browse entries in the PDBbind-CN Database
HEADER 5WZW_COMPLEX COMPND 5WZW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 ASN LEU VAL GLN PHE GLY VAL MET ILE GLU LYS MET THR SEQRES 2 A 123 GLY LYS SER ALA LEU GLN TYR ASN ASP TYR GLY CYS TYR SEQRES 3 A 123 CYS GLY ILE GLY GLY SER HIS TRP PRO VAL ASP GLN THR SEQRES 4 A 123 ASP TRP CYS CYS HIS ALA HIS ASP CYS CYS TYR GLY ARG SEQRES 5 A 123 LEU GLU LYS LEU GLY CYS GLU PRO LYS LEU GLU LYS TYR SEQRES 6 A 123 LEU PHE SER VAL SER GLU ARG GLY ILE PHE CYS ALA GLY SEQRES 7 A 123 ARG THR THR CYS GLN ARG LEU THR CYS GLU CYS ASP LYS SEQRES 8 A 123 ARG ALA ALA LEU CYS PHE ARG ARG ASN LEU GLY THR TYR SEQRES 9 A 123 ASN ARG LYS TYR ALA HIS TYR PRO ASN LYS LEU CYS THR SEQRES 10 A 123 GLY PRO THR PRO PRO CYS HET CA A 1 1 HET U A 8D 55 SSBOND 1 CYS A 27 CYS A 43 SSBOND 2 CYS A 58 CYS A 82 SSBOND 3 CYS A 76 CYS A 87 SSBOND 4 CYS A 49 CYS A 89 SSBOND 5 CYS A 42 CYS A 96 SSBOND 6 CYS A 25 CYS A 116 SSBOND 7 CYS A 48 CYS A 123 ATOM 1 N ASN A 1 9.726 17.497 1.988 1.00 53.24 N ATOM 2 CA ASN A 1 10.946 17.135 2.778 1.00 52.89 C ATOM 3 C ASN A 1 10.754 17.539 4.257 1.00 53.64 C ATOM 4 O ASN A 1 9.964 16.912 4.982 1.00 46.50 O ATOM 5 CB ASN A 1 12.201 17.754 2.118 1.00 54.65 C ATOM 6 CG ASN A 1 13.502 17.226 2.691 1.00 55.10 C ATOM 7 OD1 ASN A 1 13.499 16.410 3.610 1.00 54.31 O ATOM 8 ND2 ASN A 1 14.630 17.694 2.143 1.00 55.13 N ATOM 9 HD22 ASN A 1 14.583 18.384 1.367 1.00 0.00 H ATOM 10 HD21 ASN A 1 15.553 17.367 2.494 1.00 0.00 H ATOM 11 HN3 ASN A 1 9.569 18.523 2.046 1.00 0.00 H ATOM 12 HN2 ASN A 1 8.902 16.996 2.377 1.00 0.00 H ATOM 13 HN1 ASN A 1 9.864 17.222 0.995 1.00 0.00 H ATOM 14 N LEU A 2 11.472 18.578 4.696 1.00 55.62 N ATOM 15 CA LEU A 2 11.177 19.268 5.943 1.00 53.40 C ATOM 16 C LEU A 2 9.954 20.158 5.756 1.00 47.60 C ATOM 17 O LEU A 2 9.397 20.633 6.740 1.00 49.62 O ATOM 18 CB LEU A 2 12.393 20.083 6.420 1.00 56.91 C ATOM 19 CG LEU A 2 13.520 19.342 7.170 1.00 58.69 C ATOM 20 CD1 LEU A 2 13.568 17.828 6.933 1.00 58.71 C ATOM 21 CD2 LEU A 2 14.864 19.988 6.839 1.00 58.08 C ATOM 22 H LEU A 2 12.275 18.907 4.122 1.00 0.00 H ATOM 23 N VAL A 3 9.529 20.374 4.506 1.00 43.50 N ATOM 24 CA VAL A 3 8.172 20.887 4.242 1.00 38.57 C ATOM 25 C VAL A 3 7.179 19.901 4.860 1.00 34.08 C ATOM 26 O VAL A 3 6.354 20.287 5.678 1.00 33.40 O ATOM 27 CB VAL A 3 7.834 21.072 2.742 1.00 40.11 C ATOM 28 CG1 VAL A 3 6.597 21.970 2.596 1.00 39.37 C ATOM 29 CG2 VAL A 3 9.015 21.657 1.956 1.00 41.59 C ATOM 30 H VAL A 3 10.166 20.177 3.708 1.00 0.00 H ATOM 31 N GLN A 4 7.313 18.620 4.511 1.00 30.49 N ATOM 32 CA GLN A 4 6.465 17.562 5.057 1.00 27.26 C ATOM 33 C GLN A 4 6.604 17.436 6.576 1.00 22.09 C ATOM 34 O GLN A 4 5.618 17.582 7.278 1.00 21.01 O ATOM 35 CB GLN A 4 6.750 16.196 4.405 1.00 29.50 C ATOM 36 CG GLN A 4 6.598 16.120 2.893 1.00 30.45 C ATOM 37 CD GLN A 4 5.187 16.385 2.397 1.00 33.34 C ATOM 38 OE1 GLN A 4 4.235 16.573 3.169 1.00 32.64 O ATOM 39 NE2 GLN A 4 5.047 16.404 1.076 1.00 35.67 N ATOM 40 HE22 GLN A 4 5.872 16.242 0.463 1.00 0.00 H ATOM 41 HE21 GLN A 4 4.113 16.581 0.655 1.00 0.00 H ATOM 42 H GLN A 4 8.050 18.364 3.823 1.00 0.00 H ATOM 43 N PHE A 5 7.807 17.172 7.081 1.00 18.95 N ATOM 44 CA PHE A 5 7.984 16.996 8.547 1.00 17.17 C ATOM 45 C PHE A 5 7.482 18.231 9.286 1.00 16.14 C ATOM 46 O PHE A 5 6.724 18.126 10.248 1.00 15.25 O ATOM 47 CB PHE A 5 9.436 16.696 8.924 1.00 16.34 C ATOM 48 CG PHE A 5 9.652 16.356 10.395 1.00 16.42 C ATOM 49 CD1 PHE A 5 8.669 15.713 11.171 1.00 16.31 C ATOM 50 CD2 PHE A 5 10.850 16.682 11.009 1.00 16.69 C ATOM 51 CE1 PHE A 5 8.897 15.408 12.512 1.00 16.67 C ATOM 52 CE2 PHE A 5 11.079 16.374 12.342 1.00 17.13 C ATOM 53 CZ PHE A 5 10.105 15.738 13.097 1.00 16.70 C ATOM 54 H PHE A 5 8.627 17.088 6.447 1.00 0.00 H ATOM 55 N GLY A 6 7.869 19.402 8.787 1.00 15.97 N ATOM 56 CA GLY A 6 7.372 20.673 9.314 1.00 15.59 C ATOM 57 C GLY A 6 5.863 20.775 9.333 1.00 15.47 C ATOM 58 O GLY A 6 5.269 21.180 10.335 1.00 15.18 O ATOM 59 H GLY A 6 8.546 19.414 7.998 1.00 0.00 H ATOM 60 N VAL A 7 5.227 20.390 8.230 1.00 15.50 N ATOM 61 CA VAL A 7 3.772 20.411 8.159 1.00 15.70 C ATOM 62 C VAL A 7 3.180 19.435 9.162 1.00 14.74 C ATOM 63 O VAL A 7 2.197 19.758 9.828 1.00 14.60 O ATOM 64 CB VAL A 7 3.261 20.129 6.721 1.00 16.56 C ATOM 65 CG1 VAL A 7 1.752 19.882 6.709 1.00 16.34 C ATOM 66 CG2 VAL A 7 3.619 21.299 5.807 1.00 17.04 C ATOM 67 H VAL A 7 5.776 20.070 7.407 1.00 0.00 H ATOM 68 N MET A 8 3.804 18.264 9.302 1.00 14.45 N ATOM 69 CA MET A 8 3.365 17.284 10.293 1.00 13.95 C ATOM 70 C MET A 8 3.487 17.832 11.711 1.00 14.17 C ATOM 71 O MET A 8 2.568 17.681 12.505 1.00 13.44 O ATOM 72 CB MET A 8 4.145 15.979 10.157 1.00 13.58 C ATOM 73 CG MET A 8 3.602 14.818 10.991 1.00 13.37 C ATOM 74 SD MET A 8 4.636 13.343 10.860 1.00 12.76 S ATOM 75 CE MET A 8 4.372 12.880 9.141 1.00 13.21 C ATOM 76 H MET A 8 4.619 18.044 8.694 1.00 0.00 H ATOM 77 N ILE A 9 4.600 18.489 12.016 1.00 15.05 N ATOM 78 CA ILE A 9 4.788 19.075 13.352 1.00 15.92 C ATOM 79 C ILE A 9 3.687 20.092 13.669 1.00 16.86 C ATOM 80 O ILE A 9 3.100 20.062 14.756 1.00 16.34 O ATOM 81 CB ILE A 9 6.165 19.748 13.498 1.00 15.69 C ATOM 82 CG1 ILE A 9 7.274 18.682 13.494 1.00 15.88 C ATOM 83 CG2 ILE A 9 6.241 20.557 14.801 1.00 15.55 C ATOM 84 CD1 ILE A 9 8.608 19.229 13.079 1.00 15.89 C ATOM 85 H ILE A 9 5.348 18.591 11.301 1.00 0.00 H ATOM 86 N GLU A 10 3.397 20.973 12.717 1.00 18.94 N ATOM 87 CA GLU A 10 2.363 21.996 12.935 1.00 21.14 C ATOM 88 C GLU A 10 0.981 21.358 13.153 1.00 20.88 C ATOM 89 O GLU A 10 0.274 21.729 14.093 1.00 19.84 O ATOM 90 CB GLU A 10 2.361 23.052 11.815 1.00 23.64 C ATOM 91 CG GLU A 10 3.664 23.853 11.734 1.00 26.86 C ATOM 92 CD GLU A 10 3.610 25.075 10.818 1.00 29.88 C ATOM 93 OE1 GLU A 10 2.510 25.480 10.382 1.00 33.10 O ATOM 94 OE2 GLU A 10 4.692 25.638 10.530 1.00 32.67 O ATOM 95 H GLU A 10 3.905 20.939 11.810 1.00 0.00 H ATOM 96 N LYS A 11 0.631 20.369 12.328 1.00 21.45 N ATOM 97 CA LYS A 11 -0.629 19.623 12.496 1.00 22.19 C ATOM 98 C LYS A 11 -0.773 18.979 13.859 1.00 21.49 C ATOM 99 O LYS A 11 -1.828 19.075 14.471 1.00 22.82 O ATOM 100 CB LYS A 11 -0.786 18.524 11.442 1.00 24.54 C ATOM 101 CG LYS A 11 -1.175 19.046 10.081 1.00 26.82 C ATOM 102 CD LYS A 11 -1.726 17.946 9.183 1.00 28.89 C ATOM 103 CE LYS A 11 -1.990 18.470 7.784 1.00 30.04 C ATOM 104 NZ LYS A 11 -2.826 19.708 7.794 1.00 31.85 N ATOM 105 HZ1 LYS A 11 -3.742 19.503 8.241 1.00 0.00 H ATOM 106 HZ2 LYS A 11 -2.336 20.452 8.331 1.00 0.00 H ATOM 107 HZ3 LYS A 11 -2.980 20.029 6.817 1.00 0.00 H ATOM 108 H LYS A 11 1.266 20.117 11.544 1.00 0.00 H ATOM 109 N MET A 12 0.283 18.325 14.333 1.00 19.98 N ATOM 110 CA MET A 12 0.208 17.560 15.570 1.00 19.67 C ATOM 111 C MET A 12 0.400 18.376 16.850 1.00 18.47 C ATOM 112 O MET A 12 -0.088 17.966 17.902 1.00 17.65 O ATOM 113 CB MET A 12 1.216 16.396 15.530 1.00 20.05 C ATOM 114 CG MET A 12 1.039 15.450 14.347 1.00 20.52 C ATOM 115 SD MET A 12 -0.648 14.881 14.038 1.00 22.25 S ATOM 116 CE MET A 12 -0.960 13.998 15.551 1.00 21.62 C ATOM 117 H MET A 12 1.181 18.360 13.810 1.00 0.00 H ATOM 118 N THR A 13 1.107 19.509 16.780 1.00 18.52 N ATOM 119 CA THR A 13 1.455 20.277 17.995 1.00 18.99 C ATOM 120 C THR A 13 0.730 21.624 18.188 1.00 20.43 C ATOM 121 O THR A 13 0.772 22.177 19.283 1.00 20.86 O ATOM 122 CB THR A 13 2.963 20.568 18.059 1.00 18.19 C ATOM 123 OG1 THR A 13 3.322 21.487 17.023 1.00 16.80 O ATOM 124 CG2 THR A 13 3.778 19.285 17.931 1.00 18.12 C ATOM 125 HG1 THR A 13 3.101 21.093 16.142 1.00 0.00 H ATOM 126 H THR A 13 1.419 19.858 15.851 1.00 0.00 H ATOM 127 N GLY A 14 0.116 22.175 17.141 1.00 21.21 N ATOM 128 CA GLY A 14 -0.389 23.561 17.183 1.00 21.52 C ATOM 129 C GLY A 14 0.693 24.645 17.175 1.00 22.65 C ATOM 130 O GLY A 14 0.379 25.829 17.287 1.00 23.58 O ATOM 131 H GLY A 14 -0.010 21.615 16.274 1.00 0.00 H ATOM 132 N LYS A 15 1.963 24.261 17.029 1.00 22.35 N ATOM 133 CA LYS A 15 3.060 25.204 17.014 1.00 22.83 C ATOM 134 C LYS A 15 3.643 25.241 15.638 1.00 23.53 C ATOM 135 O LYS A 15 3.555 24.274 14.911 1.00 25.00 O ATOM 136 CB LYS A 15 4.165 24.771 17.979 1.00 22.70 C ATOM 137 CG LYS A 15 3.759 24.740 19.436 1.00 22.15 C ATOM 138 CD LYS A 15 4.996 24.611 20.314 1.00 21.91 C ATOM 139 CE LYS A 15 4.641 24.105 21.686 1.00 21.90 C ATOM 140 NZ LYS A 15 3.754 25.038 22.420 1.00 22.37 N ATOM 141 HZ1 LYS A 15 4.232 25.955 22.529 1.00 0.00 H ATOM 142 HZ2 LYS A 15 2.871 25.167 21.886 1.00 0.00 H ATOM 143 HZ3 LYS A 15 3.539 24.644 23.358 1.00 0.00 H ATOM 144 H LYS A 15 2.171 23.248 16.922 1.00 0.00 H ATOM 145 N SER A 16 4.277 26.356 15.304 1.00 24.85 N ATOM 146 CA SER A 16 5.110 26.466 14.112 1.00 24.68 C ATOM 147 C SER A 16 6.255 25.440 14.148 1.00 24.07 C ATOM 148 O SER A 16 6.771 25.103 15.219 1.00 23.79 O ATOM 149 CB SER A 16 5.681 27.894 14.014 1.00 25.24 C ATOM 150 OG SER A 16 6.737 27.961 13.076 1.00 26.25 O ATOM 151 HG SER A 16 7.082 28.888 13.035 1.00 0.00 H ATOM 152 H SER A 16 4.176 27.189 15.919 1.00 0.00 H ATOM 153 N ALA A 17 6.658 24.958 12.979 1.00 23.38 N ATOM 154 CA ALA A 17 7.778 24.021 12.873 1.00 24.20 C ATOM 155 C ALA A 17 9.110 24.632 13.348 1.00 24.16 C ATOM 156 O ALA A 17 9.981 23.924 13.867 1.00 22.76 O ATOM 157 CB ALA A 17 7.913 23.521 11.445 1.00 25.17 C ATOM 158 H ALA A 17 6.164 25.254 12.113 1.00 0.00 H ATOM 159 N LEU A 18 9.242 25.949 13.194 1.00 24.20 N ATOM 160 CA LEU A 18 10.443 26.672 13.610 1.00 24.64 C ATOM 161 C LEU A 18 10.630 26.724 15.137 1.00 23.96 C ATOM 162 O LEU A 18 11.733 27.011 15.603 1.00 22.78 O ATOM 163 CB LEU A 18 10.427 28.094 13.044 1.00 26.08 C ATOM 164 CG LEU A 18 10.292 28.221 11.521 1.00 27.04 C ATOM 165 CD1 LEU A 18 10.275 29.690 11.123 1.00 27.82 C ATOM 166 CD2 LEU A 18 11.405 27.465 10.808 1.00 27.97 C ATOM 167 H LEU A 18 8.461 26.483 12.762 1.00 0.00 H ATOM 168 N GLN A 19 9.560 26.469 15.898 1.00 23.05 N ATOM 169 CA GLN A 19 9.644 26.326 17.352 1.00 23.19 C ATOM 170 C GLN A 19 10.225 24.995 17.812 1.00 23.77 C ATOM 171 O GLN A 19 10.505 24.827 19.001 1.00 24.11 O ATOM 172 CB GLN A 19 8.273 26.523 17.991 1.00 23.91 C ATOM 173 CG GLN A 19 7.712 27.924 17.795 1.00 24.51 C ATOM 174 CD GLN A 19 6.329 28.067 18.383 1.00 25.15 C ATOM 175 OE1 GLN A 19 5.339 28.135 17.652 1.00 26.72 O ATOM 176 NE2 GLN A 19 6.246 28.088 19.710 1.00 25.20 N ATOM 177 HE22 GLN A 19 7.110 28.028 20.286 1.00 0.00 H ATOM 178 HE21 GLN A 19 5.317 28.164 20.172 1.00 0.00 H ATOM 179 H GLN A 19 8.632 26.368 15.439 1.00 0.00 H ATOM 180 N TYR A 20 10.381 24.041 16.895 1.00 24.21 N ATOM 181 CA TYR A 20 11.090 22.807 17.198 1.00 24.84 C ATOM 182 C TYR A 20 12.526 22.797 16.645 1.00 29.01 C ATOM 183 O TYR A 20 13.393 22.169 17.247 1.00 30.19 O ATOM 184 CB TYR A 20 10.256 21.597 16.786 1.00 22.31 C ATOM 185 CG TYR A 20 9.107 21.364 17.745 1.00 20.54 C ATOM 186 CD1 TYR A 20 9.274 20.567 18.879 1.00 19.09 C ATOM 187 CD2 TYR A 20 7.864 21.966 17.543 1.00 19.22 C ATOM 188 CE1 TYR A 20 8.235 20.363 19.771 1.00 18.54 C ATOM 189 CE2 TYR A 20 6.811 21.755 18.426 1.00 18.80 C ATOM 190 CZ TYR A 20 7.004 20.963 19.547 1.00 18.53 C ATOM 191 OH TYR A 20 5.976 20.737 20.433 1.00 17.64 O ATOM 192 HH TYR A 20 6.296 20.153 21.166 1.00 0.00 H ATOM 193 H TYR A 20 9.988 24.181 15.943 1.00 0.00 H ATOM 194 N ASN A 21 12.807 23.523 15.561 1.00 31.62 N ATOM 195 CA ASN A 21 14.204 23.739 15.143 1.00 33.74 C ATOM 196 C ASN A 21 15.063 24.424 16.222 1.00 31.95 C ATOM 197 O ASN A 21 14.662 25.423 16.829 1.00 36.76 O ATOM 198 CB ASN A 21 14.267 24.585 13.861 1.00 37.88 C ATOM 199 CG ASN A 21 15.695 24.778 13.353 1.00 40.70 C ATOM 200 OD1 ASN A 21 16.069 25.868 12.912 1.00 43.27 O ATOM 201 ND2 ASN A 21 16.504 23.720 13.430 1.00 42.49 N ATOM 202 HD22 ASN A 21 16.148 22.819 13.809 1.00 0.00 H ATOM 203 HD21 ASN A 21 17.491 23.796 13.111 1.00 0.00 H ATOM 204 H ASN A 21 12.033 23.940 15.006 1.00 0.00 H ATOM 205 N ASP A 22 16.250 23.877 16.444 1.00 31.14 N ATOM 206 CA ASP A 22 17.229 24.372 17.435 1.00 30.11 C ATOM 207 C ASP A 22 16.781 24.257 18.898 1.00 24.50 C ATOM 208 O ASP A 22 17.494 24.717 19.811 1.00 25.35 O ATOM 209 CB ASP A 22 17.752 25.790 17.091 1.00 32.58 C ATOM 210 CG ASP A 22 18.988 25.747 16.230 1.00 38.00 C ATOM 211 OD1 ASP A 22 19.964 25.061 16.622 1.00 42.66 O ATOM 212 OD2 ASP A 22 18.992 26.390 15.161 1.00 42.29 O ATOM 213 H ASP A 22 16.511 23.042 15.882 1.00 0.00 H ATOM 214 N TYR A 23 15.670 23.566 19.128 1.00 19.19 N ATOM 215 CA TYR A 23 15.197 23.327 20.478 1.00 16.14 C ATOM 216 C TYR A 23 16.166 22.389 21.188 1.00 14.98 C ATOM 217 O TYR A 23 16.568 21.342 20.642 1.00 14.22 O ATOM 218 CB TYR A 23 13.792 22.740 20.453 1.00 14.98 C ATOM 219 CG TYR A 23 13.137 22.595 21.809 1.00 14.09 C ATOM 220 CD1 TYR A 23 13.406 21.494 22.620 1.00 13.33 C ATOM 221 CD2 TYR A 23 12.209 23.532 22.263 1.00 13.55 C ATOM 222 CE1 TYR A 23 12.800 21.341 23.845 1.00 12.98 C ATOM 223 CE2 TYR A 23 11.584 23.382 23.489 1.00 13.14 C ATOM 224 CZ TYR A 23 11.888 22.287 24.284 1.00 13.34 C ATOM 225 OH TYR A 23 11.267 22.122 25.503 1.00 12.72 O ATOM 226 HH TYR A 23 11.600 21.295 25.933 1.00 0.00 H ATOM 227 H TYR A 23 15.129 23.189 18.324 1.00 0.00 H ATOM 228 N GLY A 24 16.575 22.785 22.383 1.00 14.15 N ATOM 229 CA GLY A 24 17.460 21.966 23.196 1.00 14.40 C ATOM 230 C GLY A 24 18.763 21.620 22.512 1.00 14.23 C ATOM 231 O GLY A 24 19.315 22.418 21.739 1.00 14.04 O ATOM 232 H GLY A 24 16.256 23.704 22.749 1.00 0.00 H ATOM 233 N CYS A 25 19.250 20.420 22.804 1.00 14.58 N ATOM 234 CA CYS A 25 20.524 19.929 22.292 1.00 14.44 C ATOM 235 C CYS A 25 20.430 19.033 21.042 1.00 14.59 C ATOM 236 O CYS A 25 21.442 18.859 20.335 1.00 14.30 O ATOM 237 CB CYS A 25 21.270 19.237 23.441 1.00 14.72 C ATOM 238 SG CYS A 25 21.620 20.393 24.796 1.00 14.78 S ATOM 239 H CYS A 25 18.696 19.800 23.428 1.00 0.00 H ATOM 240 N TYR A 26 19.232 18.529 20.730 1.00 13.93 N ATOM 241 CA TYR A 26 19.039 17.600 19.612 1.00 14.10 C ATOM 242 C TYR A 26 18.091 18.026 18.494 1.00 13.70 C ATOM 243 O TYR A 26 18.230 17.514 17.397 1.00 12.85 O ATOM 244 CB TYR A 26 18.640 16.211 20.134 1.00 14.63 C ATOM 245 CG TYR A 26 19.817 15.544 20.754 1.00 14.87 C ATOM 246 CD1 TYR A 26 20.697 14.795 19.978 1.00 15.29 C ATOM 247 CD2 TYR A 26 20.110 15.729 22.096 1.00 15.28 C ATOM 248 CE1 TYR A 26 21.821 14.206 20.534 1.00 15.61 C ATOM 249 CE2 TYR A 26 21.230 15.149 22.662 1.00 15.51 C ATOM 250 CZ TYR A 26 22.084 14.389 21.874 1.00 15.50 C ATOM 251 OH TYR A 26 23.194 13.801 22.417 1.00 15.98 O ATOM 252 HH TYR A 26 23.784 14.500 22.796 1.00 0.00 H ATOM 253 H TYR A 26 18.408 18.806 21.300 1.00 0.00 H ATOM 254 N CYS A 27 17.138 18.919 18.736 1.00 13.62 N ATOM 255 CA CYS A 27 16.224 19.313 17.654 1.00 14.20 C ATOM 256 C CYS A 27 16.914 20.282 16.686 1.00 16.22 C ATOM 257 O CYS A 27 17.322 21.376 17.069 1.00 16.61 O ATOM 258 CB CYS A 27 14.950 19.918 18.203 1.00 12.96 C ATOM 259 SG CYS A 27 14.110 18.897 19.421 1.00 11.76 S ATOM 260 H CYS A 27 17.039 19.336 19.683 1.00 0.00 H ATOM 261 N GLY A 28 17.011 19.882 15.426 1.00 18.37 N ATOM 262 CA GLY A 28 17.814 20.600 14.431 1.00 20.80 C ATOM 263 C GLY A 28 18.875 19.662 13.912 1.00 22.73 C ATOM 264 O GLY A 28 18.899 18.493 14.289 1.00 23.54 O ATOM 265 H GLY A 28 16.498 19.026 15.132 1.00 0.00 H ATOM 266 N ILE A 29 19.748 20.148 13.044 1.00 24.93 N ATOM 267 CA ILE A 29 20.774 19.282 12.455 1.00 27.27 C ATOM 268 C ILE A 29 21.842 18.924 13.510 1.00 27.31 C ATOM 269 O ILE A 29 22.365 19.794 14.201 1.00 29.05 O ATOM 270 CB ILE A 29 21.412 19.918 11.194 1.00 28.69 C ATOM 271 CG1 ILE A 29 20.344 20.092 10.096 1.00 29.87 C ATOM 272 CG2 ILE A 29 22.556 19.045 10.673 1.00 29.16 C ATOM 273 CD1 ILE A 29 20.748 21.007 8.949 1.00 30.62 C ATOM 274 H ILE A 29 19.706 21.152 12.778 1.00 0.00 H ATOM 275 N GLY A 30 22.129 17.631 13.634 1.00 27.71 N ATOM 276 CA GLY A 30 23.157 17.130 14.549 1.00 26.82 C ATOM 277 C GLY A 30 22.682 17.099 15.987 1.00 25.94 C ATOM 278 O GLY A 30 21.485 17.021 16.259 1.00 26.03 O ATOM 279 H GLY A 30 21.601 16.946 13.056 1.00 0.00 H ATOM 280 N GLY A 31 23.624 17.160 16.912 1.00 25.46 N ATOM 281 CA GLY A 31 23.306 17.164 18.323 1.00 25.13 C ATOM 282 C GLY A 31 24.309 16.351 19.108 1.00 24.29 C ATOM 283 O GLY A 31 24.892 15.407 18.595 1.00 25.60 O ATOM 284 H GLY A 31 24.620 17.206 16.618 1.00 0.00 H ATOM 285 N SER A 32 24.494 16.728 20.361 1.00 23.23 N ATOM 286 CA SER A 32 25.439 16.061 21.251 1.00 22.86 C ATOM 287 C SER A 32 25.045 16.335 22.694 1.00 20.89 C ATOM 288 O SER A 32 24.143 17.130 22.954 1.00 19.66 O ATOM 289 CB SER A 32 26.836 16.602 21.004 1.00 24.27 C ATOM 290 OG SER A 32 26.846 18.007 21.237 1.00 26.00 O ATOM 291 HG SER A 32 27.757 18.361 21.076 1.00 0.00 H ATOM 292 H SER A 32 23.945 17.532 20.727 1.00 0.00 H ATOM 293 N HIS A 33 25.728 15.670 23.626 1.00 19.56 N ATOM 294 CA HIS A 33 25.545 15.881 25.061 1.00 18.54 C ATOM 295 C HIS A 33 24.176 15.389 25.528 1.00 16.92 C ATOM 296 O HIS A 33 23.542 14.613 24.828 1.00 18.06 O ATOM 297 CB HIS A 33 25.852 17.339 25.432 1.00 19.29 C ATOM 298 CG HIS A 33 27.265 17.732 25.143 1.00 19.91 C ATOM 299 ND1 HIS A 33 28.333 17.234 25.862 1.00 19.58 N ATOM 300 CD2 HIS A 33 27.791 18.565 24.215 1.00 20.11 C ATOM 301 CE1 HIS A 33 29.456 17.738 25.384 1.00 20.20 C ATOM 302 NE2 HIS A 33 29.155 18.550 24.386 1.00 20.54 N ATOM 303 H HIS A 33 26.427 14.965 23.316 1.00 0.00 H ATOM 304 N TRP A 34 23.732 15.762 26.719 1.00 15.31 N ATOM 305 CA TRP A 34 22.540 15.159 27.271 1.00 14.07 C ATOM 306 C TRP A 34 21.291 15.976 26.878 1.00 13.58 C ATOM 307 O TRP A 34 21.306 17.207 26.989 1.00 13.18 O ATOM 308 CB TRP A 34 22.658 15.023 28.789 1.00 13.96 C ATOM 309 CG TRP A 34 21.744 13.979 29.312 1.00 13.55 C ATOM 310 CD1 TRP A 34 20.533 14.161 29.906 1.00 13.40 C ATOM 311 CD2 TRP A 34 21.957 12.569 29.249 1.00 13.37 C ATOM 312 NE1 TRP A 34 19.983 12.942 30.226 1.00 13.77 N ATOM 313 CE2 TRP A 34 20.843 11.952 29.834 1.00 13.30 C ATOM 314 CE3 TRP A 34 23.000 11.766 28.760 1.00 13.65 C ATOM 315 CZ2 TRP A 34 20.734 10.569 29.951 1.00 13.82 C ATOM 316 CZ3 TRP A 34 22.883 10.385 28.861 1.00 13.73 C ATOM 317 CH2 TRP A 34 21.760 9.806 29.451 1.00 13.65 C ATOM 318 HE1 TRP A 34 19.064 12.796 30.690 1.00 0.00 H ATOM 319 H TRP A 34 24.242 16.490 27.258 1.00 0.00 H ATOM 320 N PRO A 35 20.212 15.298 26.424 1.00 12.71 N ATOM 321 CA PRO A 35 18.975 16.013 26.089 1.00 12.53 C ATOM 322 C PRO A 35 18.417 16.812 27.275 1.00 12.23 C ATOM 323 O PRO A 35 18.498 16.353 28.422 1.00 12.13 O ATOM 324 CB PRO A 35 18.014 14.884 25.681 1.00 12.31 C ATOM 325 CG PRO A 35 18.914 13.804 25.191 1.00 12.48 C ATOM 326 CD PRO A 35 20.073 13.852 26.143 1.00 12.65 C ATOM 327 N VAL A 36 17.901 18.007 27.000 1.00 11.69 N ATOM 328 CA VAL A 36 17.451 18.899 28.070 1.00 11.51 C ATOM 329 C VAL A 36 16.123 18.489 28.677 1.00 11.25 C ATOM 330 O VAL A 36 15.880 18.786 29.822 1.00 10.74 O ATOM 331 CB VAL A 36 17.372 20.381 27.645 1.00 11.42 C ATOM 332 CG1 VAL A 36 18.709 20.863 27.112 1.00 11.70 C ATOM 333 CG2 VAL A 36 16.245 20.633 26.630 1.00 11.86 C ATOM 334 H VAL A 36 17.816 18.312 26.009 1.00 0.00 H ATOM 335 N ASP A 37 15.259 17.832 27.901 1.00 11.11 N ATOM 336 CA ASP A 37 13.926 17.453 28.372 1.00 11.20 C ATOM 337 C ASP A 37 13.299 16.398 27.441 1.00 11.51 C ATOM 338 O ASP A 37 13.960 15.913 26.522 1.00 10.87 O ATOM 339 CB ASP A 37 13.024 18.705 28.564 1.00 11.18 C ATOM 340 CG ASP A 37 12.573 19.347 27.250 1.00 11.20 C ATOM 341 OD1 ASP A 37 12.920 18.833 26.158 1.00 10.67 O ATOM 342 OD2 ASP A 37 11.837 20.375 27.326 1.00 11.23 O ATOM 343 H ASP A 37 15.541 17.582 26.932 1.00 0.00 H ATOM 344 N GLN A 38 12.034 16.041 27.675 1.00 12.52 N ATOM 345 CA GLN A 38 11.406 14.954 26.916 1.00 13.21 C ATOM 346 C GLN A 38 11.261 15.298 25.434 1.00 12.55 C ATOM 347 O GLN A 38 11.490 14.445 24.583 1.00 12.18 O ATOM 348 CB GLN A 38 10.055 14.544 27.522 1.00 14.59 C ATOM 349 CG GLN A 38 10.189 13.871 28.873 1.00 16.08 C ATOM 350 CD GLN A 38 10.790 12.479 28.774 1.00 17.28 C ATOM 351 OE1 GLN A 38 10.162 11.558 28.258 1.00 19.99 O ATOM 352 NE2 GLN A 38 12.014 12.323 29.264 1.00 17.93 N ATOM 353 HE22 GLN A 38 12.509 13.131 29.693 1.00 0.00 H ATOM 354 HE21 GLN A 38 12.477 11.393 29.219 1.00 0.00 H ATOM 355 H GLN A 38 11.487 16.540 28.405 1.00 0.00 H ATOM 356 N THR A 39 10.920 16.550 25.130 1.00 11.76 N ATOM 357 CA THR A 39 10.848 16.995 23.734 1.00 11.57 C ATOM 358 C THR A 39 12.199 16.788 23.056 1.00 11.41 C ATOM 359 O THR A 39 12.262 16.268 21.943 1.00 11.44 O ATOM 360 CB THR A 39 10.373 18.462 23.637 1.00 11.22 C ATOM 361 OG1 THR A 39 9.013 18.519 24.057 1.00 11.04 O ATOM 362 CG2 THR A 39 10.518 19.042 22.215 1.00 11.06 C ATOM 363 HG1 THR A 39 8.944 18.200 24.992 1.00 0.00 H ATOM 364 H THR A 39 10.702 17.221 25.894 1.00 0.00 H ATOM 365 N ASP A 40 13.277 17.159 23.740 1.00 11.03 N ATOM 366 CA ASP A 40 14.623 17.003 23.182 1.00 11.06 C ATOM 367 C ASP A 40 14.941 15.528 22.933 1.00 10.72 C ATOM 368 O ASP A 40 15.502 15.189 21.904 1.00 9.77 O ATOM 369 CB ASP A 40 15.670 17.647 24.097 1.00 11.23 C ATOM 370 CG ASP A 40 16.912 18.130 23.363 1.00 11.56 C ATOM 371 OD1 ASP A 40 16.941 18.161 22.111 1.00 12.06 O ATOM 372 OD2 ASP A 40 17.900 18.520 24.055 1.00 11.24 O ATOM 373 H ASP A 40 13.163 17.568 24.689 1.00 0.00 H ATOM 374 N TRP A 41 14.549 14.667 23.874 1.00 10.88 N ATOM 375 CA TRP A 41 14.648 13.223 23.695 1.00 11.23 C ATOM 376 C TRP A 41 13.911 12.749 22.440 1.00 10.94 C ATOM 377 O TRP A 41 14.414 11.880 21.739 1.00 10.45 O ATOM 378 CB TRP A 41 14.131 12.480 24.922 1.00 11.82 C ATOM 379 CG TRP A 41 15.136 12.330 26.013 1.00 12.57 C ATOM 380 CD1 TRP A 41 15.178 13.006 27.208 1.00 12.64 C ATOM 381 CD2 TRP A 41 16.242 11.420 26.022 1.00 12.99 C ATOM 382 NE1 TRP A 41 16.256 12.570 27.954 1.00 13.08 N ATOM 383 CE2 TRP A 41 16.926 11.602 27.249 1.00 13.10 C ATOM 384 CE3 TRP A 41 16.741 10.490 25.099 1.00 12.92 C ATOM 385 CZ2 TRP A 41 18.070 10.862 27.587 1.00 13.19 C ATOM 386 CZ3 TRP A 41 17.877 9.746 25.438 1.00 13.13 C ATOM 387 CH2 TRP A 41 18.530 9.942 26.676 1.00 13.08 C ATOM 388 HE1 TRP A 41 16.518 12.919 28.898 1.00 0.00 H ATOM 389 H TRP A 41 14.160 15.038 24.764 1.00 0.00 H ATOM 390 N CYS A 42 12.748 13.341 22.125 1.00 10.81 N ATOM 391 CA CYS A 42 12.058 12.993 20.862 1.00 10.47 C ATOM 392 C CYS A 42 13.012 13.198 19.694 1.00 10.41 C ATOM 393 O CYS A 42 13.061 12.372 18.778 1.00 10.01 O ATOM 394 CB CYS A 42 10.807 13.847 20.620 1.00 10.45 C ATOM 395 SG CYS A 42 9.541 13.829 21.895 1.00 10.92 S ATOM 396 H CYS A 42 12.332 14.044 22.768 1.00 0.00 H ATOM 397 N CYS A 43 13.768 14.302 19.732 1.00 10.24 N ATOM 398 CA CYS A 43 14.727 14.634 18.676 1.00 10.62 C ATOM 399 C CYS A 43 15.943 13.713 18.650 1.00 10.73 C ATOM 400 O CYS A 43 16.384 13.298 17.576 1.00 10.83 O ATOM 401 CB CYS A 43 15.146 16.100 18.774 1.00 11.16 C ATOM 402 SG CYS A 43 13.748 17.191 18.408 1.00 11.59 S ATOM 403 H CYS A 43 13.671 14.948 20.541 1.00 0.00 H ATOM 404 N HIS A 44 16.480 13.393 19.825 1.00 10.89 N ATOM 405 CA HIS A 44 17.531 12.381 19.927 1.00 10.79 C ATOM 406 C HIS A 44 17.097 11.086 19.232 1.00 10.71 C ATOM 407 O HIS A 44 17.819 10.561 18.390 1.00 10.61 O ATOM 408 CB HIS A 44 17.858 12.118 21.395 1.00 11.23 C ATOM 409 CG HIS A 44 18.888 11.053 21.596 1.00 11.38 C ATOM 410 ND1 HIS A 44 18.561 9.727 21.762 1.00 11.39 N ATOM 411 CD2 HIS A 44 20.239 11.118 21.632 1.00 11.63 C ATOM 412 CE1 HIS A 44 19.665 9.020 21.910 1.00 11.61 C ATOM 413 NE2 HIS A 44 20.698 9.841 21.843 1.00 11.81 N ATOM 414 H HIS A 44 16.146 13.871 20.686 1.00 0.00 H ATOM 415 N ALA A 45 15.904 10.605 19.568 1.00 10.74 N ATOM 416 CA ALA A 45 15.328 9.387 18.955 1.00 10.79 C ATOM 417 C ALA A 45 15.135 9.484 17.436 1.00 10.90 C ATOM 418 O ALA A 45 15.411 8.533 16.696 1.00 10.18 O ATOM 419 CB ALA A 45 14.009 9.032 19.631 1.00 10.75 C ATOM 420 H ALA A 45 15.352 11.106 20.293 1.00 0.00 H ATOM 421 N HIS A 46 14.644 10.629 16.990 1.00 11.03 N ATOM 422 CA HIS A 46 14.434 10.897 15.570 1.00 11.60 C ATOM 423 C HIS A 46 15.764 10.875 14.782 1.00 11.75 C ATOM 424 O HIS A 46 15.816 10.311 13.699 1.00 11.50 O ATOM 425 CB HIS A 46 13.710 12.235 15.430 1.00 12.17 C ATOM 426 CG HIS A 46 13.312 12.577 14.034 1.00 12.96 C ATOM 427 ND1 HIS A 46 13.988 13.503 13.268 1.00 14.16 N ATOM 428 CD2 HIS A 46 12.305 12.118 13.260 1.00 13.02 C ATOM 429 CE1 HIS A 46 13.420 13.591 12.080 1.00 13.48 C ATOM 430 NE2 HIS A 46 12.389 12.770 12.056 1.00 13.06 N ATOM 431 H HIS A 46 14.398 11.368 17.679 1.00 0.00 H ATOM 432 N ASP A 47 16.828 11.456 15.340 1.00 11.91 N ATOM 433 CA ASP A 47 18.175 11.342 14.763 1.00 12.44 C ATOM 434 C ASP A 47 18.610 9.881 14.640 1.00 11.87 C ATOM 435 O ASP A 47 19.129 9.475 13.599 1.00 11.48 O ATOM 436 CB ASP A 47 19.205 12.086 15.614 1.00 13.31 C ATOM 437 CG ASP A 47 19.078 13.597 15.523 1.00 14.54 C ATOM 438 OD1 ASP A 47 18.269 14.138 14.725 1.00 15.52 O ATOM 439 OD2 ASP A 47 19.800 14.275 16.274 1.00 14.84 O ATOM 440 H ASP A 47 16.700 12.008 16.212 1.00 0.00 H ATOM 441 N CYS A 48 18.367 9.103 15.697 1.00 11.67 N ATOM 442 CA CYS A 48 18.674 7.668 15.691 1.00 11.73 C ATOM 443 C CYS A 48 17.854 6.951 14.607 1.00 10.94 C ATOM 444 O CYS A 48 18.379 6.090 13.888 1.00 9.55 O ATOM 445 CB CYS A 48 18.394 7.042 17.058 1.00 12.56 C ATOM 446 SG CYS A 48 19.484 7.670 18.362 1.00 13.45 S ATOM 447 H CYS A 48 17.948 9.526 16.550 1.00 0.00 H ATOM 448 N CYS A 49 16.577 7.333 14.512 1.00 10.48 N ATOM 449 CA CYS A 49 15.674 6.808 13.483 1.00 10.35 C ATOM 450 C CYS A 49 16.236 7.062 12.090 1.00 10.32 C ATOM 451 O CYS A 49 16.347 6.137 11.276 1.00 10.22 O ATOM 452 CB CYS A 49 14.271 7.403 13.626 1.00 10.49 C ATOM 453 SG CYS A 49 12.967 6.379 12.910 1.00 10.35 S ATOM 454 H CYS A 49 16.210 8.028 15.193 1.00 0.00 H ATOM 455 N TYR A 50 16.621 8.304 11.818 1.00 10.29 N ATOM 456 CA TYR A 50 17.247 8.616 10.530 1.00 10.43 C ATOM 457 C TYR A 50 18.543 7.830 10.285 1.00 10.40 C ATOM 458 O TYR A 50 18.784 7.377 9.163 1.00 10.29 O ATOM 459 CB TYR A 50 17.462 10.123 10.357 1.00 10.52 C ATOM 460 CG TYR A 50 16.248 10.905 9.827 1.00 10.65 C ATOM 461 CD1 TYR A 50 14.926 10.447 9.974 1.00 10.71 C ATOM 462 CD2 TYR A 50 16.440 12.133 9.218 1.00 10.95 C ATOM 463 CE1 TYR A 50 13.846 11.202 9.509 1.00 10.80 C ATOM 464 CE2 TYR A 50 15.377 12.888 8.742 1.00 10.95 C ATOM 465 CZ TYR A 50 14.082 12.431 8.886 1.00 10.97 C ATOM 466 OH TYR A 50 13.058 13.235 8.393 1.00 10.72 O ATOM 467 HH TYR A 50 12.186 12.796 8.558 1.00 0.00 H ATOM 468 H TYR A 50 16.478 9.057 12.521 1.00 0.00 H ATOM 469 N GLY A 51 19.371 7.663 11.321 1.00 10.67 N ATOM 470 CA GLY A 51 20.588 6.857 11.190 1.00 10.90 C ATOM 471 C GLY A 51 20.310 5.420 10.749 1.00 10.99 C ATOM 472 O GLY A 51 21.040 4.865 9.913 1.00 11.15 O ATOM 473 H GLY A 51 19.149 8.111 12.233 1.00 0.00 H ATOM 474 N ARG A 52 19.261 4.818 11.311 1.00 11.12 N ATOM 475 CA ARG A 52 18.809 3.469 10.903 1.00 11.33 C ATOM 476 C ARG A 52 18.385 3.452 9.424 1.00 11.27 C ATOM 477 O ARG A 52 18.728 2.530 8.679 1.00 10.42 O ATOM 478 CB ARG A 52 17.652 2.966 11.796 1.00 11.51 C ATOM 479 CG ARG A 52 18.021 2.736 13.258 1.00 11.63 C ATOM 480 CD ARG A 52 16.979 1.927 14.029 1.00 12.05 C ATOM 481 NE ARG A 52 15.671 2.585 14.177 1.00 12.18 N ATOM 482 CZ ARG A 52 15.355 3.522 15.086 1.00 12.26 C ATOM 483 NH1 ARG A 52 16.253 3.980 15.965 1.00 12.23 N ATOM 484 NH2 ARG A 52 14.121 4.013 15.104 1.00 12.20 N ATOM 485 HE ARG A 52 14.921 2.298 13.516 1.00 0.00 H ATOM 486 HH12 ARG A 52 15.979 4.706 16.657 1.00 0.00 H ATOM 487 HH11 ARG A 52 17.225 3.610 15.956 1.00 0.00 H ATOM 488 HH22 ARG A 52 13.860 4.739 15.802 1.00 0.00 H ATOM 489 HH21 ARG A 52 13.415 3.671 14.421 1.00 0.00 H ATOM 490 H ARG A 52 18.742 5.314 12.063 1.00 0.00 H ATOM 491 N LEU A 53 17.639 4.477 9.011 1.00 11.45 N ATOM 492 CA LEU A 53 17.225 4.612 7.605 1.00 11.96 C ATOM 493 C LEU A 53 18.420 4.736 6.651 1.00 12.20 C ATOM 494 O LEU A 53 18.430 4.116 5.578 1.00 11.28 O ATOM 495 CB LEU A 53 16.252 5.786 7.429 1.00 12.24 C ATOM 496 CG LEU A 53 14.767 5.439 7.602 1.00 12.83 C ATOM 497 CD1 LEU A 53 14.457 4.544 8.789 1.00 12.79 C ATOM 498 CD2 LEU A 53 13.925 6.713 7.640 1.00 12.77 C ATOM 499 H LEU A 53 17.342 5.198 9.699 1.00 0.00 H ATOM 500 N GLU A 54 19.420 5.526 7.051 1.00 13.37 N ATOM 501 CA GLU A 54 20.653 5.659 6.283 1.00 14.36 C ATOM 502 C GLU A 54 21.352 4.296 6.157 1.00 13.89 C ATOM 503 O GLU A 54 21.760 3.910 5.061 1.00 13.43 O ATOM 504 CB GLU A 54 21.582 6.747 6.880 1.00 15.92 C ATOM 505 CG GLU A 54 21.096 8.146 6.543 1.00 17.81 C ATOM 506 CD GLU A 54 21.796 9.282 7.268 1.00 20.16 C ATOM 507 OE1 GLU A 54 22.758 9.062 8.026 1.00 21.98 O ATOM 508 OE2 GLU A 54 21.346 10.436 7.082 1.00 22.93 O ATOM 509 H GLU A 54 19.316 6.062 7.936 1.00 0.00 H ATOM 510 N LYS A 55 21.433 3.551 7.256 1.00 13.77 N ATOM 511 CA LYS A 55 22.049 2.221 7.229 1.00 14.52 C ATOM 512 C LYS A 55 21.290 1.238 6.300 1.00 14.20 C ATOM 513 O LYS A 55 21.915 0.354 5.708 1.00 13.46 O ATOM 514 CB LYS A 55 22.202 1.655 8.650 1.00 15.53 C ATOM 515 CG LYS A 55 23.116 0.448 8.696 1.00 17.21 C ATOM 516 CD LYS A 55 23.269 -0.172 10.079 1.00 17.95 C ATOM 517 CE LYS A 55 23.974 -1.515 9.953 1.00 18.53 C ATOM 518 NZ LYS A 55 24.164 -2.197 11.260 1.00 19.06 N ATOM 519 HZ1 LYS A 55 24.739 -1.595 11.883 1.00 0.00 H ATOM 520 HZ2 LYS A 55 23.237 -2.367 11.699 1.00 0.00 H ATOM 521 HZ3 LYS A 55 24.649 -3.105 11.109 1.00 0.00 H ATOM 522 H LYS A 55 21.052 3.919 8.151 1.00 0.00 H ATOM 523 N LEU A 56 19.968 1.423 6.146 1.00 13.19 N ATOM 524 CA LEU A 56 19.151 0.647 5.194 1.00 12.87 C ATOM 525 C LEU A 56 19.286 1.068 3.716 1.00 12.48 C ATOM 526 O LEU A 56 18.695 0.433 2.841 1.00 12.39 O ATOM 527 CB LEU A 56 17.657 0.707 5.581 1.00 12.89 C ATOM 528 CG LEU A 56 17.224 -0.068 6.819 1.00 13.20 C ATOM 529 CD1 LEU A 56 15.878 0.428 7.335 1.00 12.94 C ATOM 530 CD2 LEU A 56 17.173 -1.572 6.536 1.00 13.39 C ATOM 531 H LEU A 56 19.499 2.148 6.726 1.00 0.00 H ATOM 532 N GLY A 57 20.042 2.128 3.440 1.00 12.02 N ATOM 533 CA GLY A 57 20.244 2.635 2.093 1.00 11.67 C ATOM 534 C GLY A 57 19.341 3.786 1.705 1.00 11.57 C ATOM 535 O GLY A 57 19.360 4.192 0.548 1.00 11.18 O ATOM 536 H GLY A 57 20.512 2.618 4.228 1.00 0.00 H ATOM 537 N CYS A 58 18.541 4.307 2.649 1.00 11.27 N ATOM 538 CA CYS A 58 17.694 5.449 2.393 1.00 11.48 C ATOM 539 C CYS A 58 18.465 6.747 2.625 1.00 12.82 C ATOM 540 O CYS A 58 19.559 6.744 3.212 1.00 12.30 O ATOM 541 CB CYS A 58 16.464 5.423 3.291 1.00 11.36 C ATOM 542 SG CYS A 58 15.490 3.906 3.224 1.00 10.88 S ATOM 543 H CYS A 58 18.531 3.875 3.595 1.00 0.00 H ATOM 544 N GLU A 59 17.873 7.842 2.159 1.00 13.75 N ATOM 545 CA GLU A 59 18.392 9.196 2.348 1.00 15.75 C ATOM 546 C GLU A 59 17.338 10.061 3.037 1.00 14.97 C ATOM 547 O GLU A 59 16.797 10.988 2.423 1.00 15.07 O ATOM 548 CB GLU A 59 18.770 9.802 1.000 1.00 18.13 C ATOM 549 CG GLU A 59 19.908 9.075 0.324 1.00 20.63 C ATOM 550 CD GLU A 59 20.372 9.785 -0.933 1.00 24.00 C ATOM 551 OE1 GLU A 59 19.537 10.041 -1.827 1.00 27.03 O ATOM 552 OE2 GLU A 59 21.574 10.090 -1.018 1.00 28.05 O ATOM 553 H GLU A 59 16.986 7.729 1.627 1.00 0.00 H ATOM 554 N PRO A 60 17.060 9.783 4.328 1.00 14.32 N ATOM 555 CA PRO A 60 15.872 10.355 4.958 1.00 14.35 C ATOM 556 C PRO A 60 15.855 11.878 5.000 1.00 15.44 C ATOM 557 O PRO A 60 14.772 12.451 5.010 1.00 14.27 O ATOM 558 CB PRO A 60 15.878 9.761 6.373 1.00 14.00 C ATOM 559 CG PRO A 60 17.269 9.282 6.601 1.00 13.91 C ATOM 560 CD PRO A 60 17.804 8.905 5.251 1.00 13.97 C ATOM 561 N LYS A 61 17.027 12.524 4.996 1.00 16.95 N ATOM 562 CA LYS A 61 17.082 13.984 4.935 1.00 19.27 C ATOM 563 C LYS A 61 16.513 14.533 3.647 1.00 19.10 C ATOM 564 O LYS A 61 16.104 15.678 3.626 1.00 20.06 O ATOM 565 CB LYS A 61 18.510 14.509 5.094 1.00 21.69 C ATOM 566 CG LYS A 61 19.101 14.252 6.469 1.00 23.51 C ATOM 567 CD LYS A 61 20.542 14.744 6.576 1.00 25.68 C ATOM 568 CE LYS A 61 21.395 13.778 7.378 1.00 27.81 C ATOM 569 NZ LYS A 61 22.642 14.409 7.886 1.00 29.36 N ATOM 570 HZ1 LYS A 61 23.209 14.748 7.083 1.00 0.00 H ATOM 571 HZ2 LYS A 61 22.397 15.210 8.503 1.00 0.00 H ATOM 572 HZ3 LYS A 61 23.188 13.708 8.426 1.00 0.00 H ATOM 573 H LYS A 61 17.912 11.979 5.037 1.00 0.00 H ATOM 574 N LEU A 62 16.519 13.734 2.576 1.00 19.59 N ATOM 575 CA LEU A 62 16.015 14.138 1.266 1.00 20.14 C ATOM 576 C LEU A 62 14.677 13.517 0.847 1.00 19.57 C ATOM 577 O LEU A 62 14.069 14.000 -0.114 1.00 19.10 O ATOM 578 CB LEU A 62 17.061 13.792 0.198 1.00 21.58 C ATOM 579 CG LEU A 62 18.441 14.445 0.354 1.00 23.13 C ATOM 580 CD1 LEU A 62 19.373 13.939 -0.745 1.00 23.42 C ATOM 581 CD2 LEU A 62 18.329 15.968 0.337 1.00 23.17 C ATOM 582 H LEU A 62 16.903 12.773 2.681 1.00 0.00 H ATOM 583 N GLU A 63 14.218 12.453 1.519 1.00 18.68 N ATOM 584 CA GLU A 63 13.075 11.683 1.013 1.00 18.87 C ATOM 585 C GLU A 63 11.806 12.527 1.151 1.00 19.29 C ATOM 586 O GLU A 63 11.606 13.203 2.153 1.00 19.89 O ATOM 587 CB GLU A 63 12.873 10.323 1.726 1.00 18.57 C ATOM 588 CG GLU A 63 14.074 9.365 1.805 1.00 18.29 C ATOM 589 CD GLU A 63 14.366 8.512 0.564 1.00 17.95 C ATOM 590 OE1 GLU A 63 13.622 8.602 -0.436 1.00 16.59 O ATOM 591 OE2 GLU A 63 15.376 7.749 0.610 1.00 16.02 O ATOM 592 H GLU A 63 14.676 12.169 2.409 1.00 0.00 H ATOM 593 N LYS A 64 10.972 12.485 0.119 1.00 19.56 N ATOM 594 CA LYS A 64 9.702 13.198 0.081 1.00 19.91 C ATOM 595 C LYS A 64 8.614 12.144 0.188 1.00 17.05 C ATOM 596 O LYS A 64 8.602 11.211 -0.606 1.00 16.93 O ATOM 597 CB LYS A 64 9.549 13.923 -1.252 1.00 22.39 C ATOM 598 CG LYS A 64 10.652 14.913 -1.573 1.00 24.76 C ATOM 599 CD LYS A 64 10.568 16.140 -0.689 1.00 26.83 C ATOM 600 CE LYS A 64 11.358 17.314 -1.277 1.00 29.75 C ATOM 601 NZ LYS A 64 10.779 17.860 -2.542 1.00 32.03 N ATOM 602 HZ1 LYS A 64 10.757 17.111 -3.263 1.00 0.00 H ATOM 603 HZ2 LYS A 64 9.812 18.198 -2.362 1.00 0.00 H ATOM 604 HZ3 LYS A 64 11.367 18.649 -2.878 1.00 0.00 H ATOM 605 H LYS A 64 11.240 11.912 -0.707 1.00 0.00 H ATOM 606 N TYR A 65 7.698 12.310 1.135 1.00 14.20 N ATOM 607 CA TYR A 65 6.614 11.339 1.345 1.00 12.49 C ATOM 608 C TYR A 65 5.240 12.021 1.359 1.00 12.18 C ATOM 609 O TYR A 65 5.132 13.253 1.222 1.00 11.74 O ATOM 610 CB TYR A 65 6.874 10.550 2.637 1.00 11.86 C ATOM 611 CG TYR A 65 6.946 11.405 3.892 1.00 11.10 C ATOM 612 CD1 TYR A 65 5.789 11.896 4.496 1.00 10.79 C ATOM 613 CD2 TYR A 65 8.173 11.710 4.481 1.00 10.77 C ATOM 614 CE1 TYR A 65 5.848 12.672 5.644 1.00 10.83 C ATOM 615 CE2 TYR A 65 8.249 12.479 5.634 1.00 10.58 C ATOM 616 CZ TYR A 65 7.089 12.966 6.215 1.00 10.75 C ATOM 617 OH TYR A 65 7.131 13.733 7.353 1.00 10.70 O ATOM 618 HH TYR A 65 7.553 13.215 8.083 1.00 0.00 H ATOM 619 H TYR A 65 7.749 13.151 1.745 1.00 0.00 H ATOM 620 N LEU A 66 4.194 11.214 1.525 1.00 11.33 N ATOM 621 CA LEU A 66 2.826 11.709 1.560 1.00 11.17 C ATOM 622 C LEU A 66 2.212 11.335 2.868 1.00 10.98 C ATOM 623 O LEU A 66 2.481 10.260 3.393 1.00 10.66 O ATOM 624 CB LEU A 66 1.993 11.084 0.449 1.00 11.02 C ATOM 625 CG LEU A 66 2.531 11.280 -0.963 1.00 10.84 C ATOM 626 CD1 LEU A 66 1.788 10.325 -1.895 1.00 10.88 C ATOM 627 CD2 LEU A 66 2.408 12.733 -1.389 1.00 10.62 C ATOM 628 H LEU A 66 4.361 10.193 1.634 1.00 0.00 H ATOM 629 N PHE A 67 1.366 12.201 3.401 1.00 11.02 N ATOM 630 CA PHE A 67 0.641 11.830 4.605 1.00 11.48 C ATOM 631 C PHE A 67 -0.634 12.602 4.814 1.00 12.11 C ATOM 632 O PHE A 67 -0.795 13.706 4.325 1.00 11.95 O ATOM 633 CB PHE A 67 1.525 11.960 5.856 1.00 11.24 C ATOM 634 CG PHE A 67 1.646 13.371 6.376 1.00 11.33 C ATOM 635 CD1 PHE A 67 2.534 14.264 5.793 1.00 11.31 C ATOM 636 CD2 PHE A 67 0.868 13.799 7.444 1.00 11.31 C ATOM 637 CE1 PHE A 67 2.652 15.563 6.271 1.00 11.26 C ATOM 638 CE2 PHE A 67 0.986 15.093 7.929 1.00 11.36 C ATOM 639 CZ PHE A 67 1.883 15.966 7.340 1.00 11.34 C ATOM 640 H PHE A 67 1.222 13.134 2.965 1.00 0.00 H ATOM 641 N SER A 68 -1.515 11.992 5.593 1.00 13.64 N ATOM 642 CA SER A 68 -2.750 12.622 6.022 1.00 15.57 C ATOM 643 C SER A 68 -2.916 12.441 7.520 1.00 17.97 C ATOM 644 O SER A 68 -2.295 11.566 8.121 1.00 16.80 O ATOM 645 CB SER A 68 -3.946 12.009 5.281 1.00 15.00 C ATOM 646 OG SER A 68 -4.062 10.630 5.566 1.00 14.37 O ATOM 647 HG SER A 68 -4.839 10.258 5.078 1.00 0.00 H ATOM 648 H SER A 68 -1.313 11.022 5.910 1.00 0.00 H ATOM 649 N VAL A 69 -3.770 13.283 8.097 1.00 21.17 N ATOM 650 CA VAL A 69 -4.090 13.252 9.516 1.00 24.34 C ATOM 651 C VAL A 69 -5.606 13.280 9.651 1.00 26.80 C ATOM 652 O VAL A 69 -6.243 14.247 9.238 1.00 29.05 O ATOM 653 CB VAL A 69 -3.510 14.477 10.257 1.00 25.31 C ATOM 654 CG1 VAL A 69 -3.882 14.439 11.744 1.00 25.87 C ATOM 655 CG2 VAL A 69 -2.003 14.564 10.076 1.00 25.15 C ATOM 656 H VAL A 69 -4.233 14.000 7.503 1.00 0.00 H ATOM 657 N SER A 70 -6.171 12.228 10.222 1.00 30.43 N ATOM 658 CA SER A 70 -7.581 12.196 10.590 1.00 32.61 C ATOM 659 C SER A 70 -7.701 11.977 12.100 1.00 36.16 C ATOM 660 O SER A 70 -6.698 11.951 12.819 1.00 36.12 O ATOM 661 CB SER A 70 -8.292 11.082 9.816 1.00 32.28 C ATOM 662 OG SER A 70 -7.978 9.790 10.317 1.00 33.68 O ATOM 663 HG SER A 70 -8.459 9.106 9.787 1.00 0.00 H ATOM 664 H SER A 70 -5.585 11.391 10.416 1.00 0.00 H ATOM 665 N GLU A 71 -8.939 11.829 12.567 1.00 38.61 N ATOM 666 CA GLU A 71 -9.248 11.368 13.925 1.00 38.77 C ATOM 667 C GLU A 71 -8.537 10.057 14.281 1.00 38.48 C ATOM 668 O GLU A 71 -8.153 9.841 15.429 1.00 38.48 O ATOM 669 CB GLU A 71 -10.786 11.228 14.069 1.00 42.55 C ATOM 670 CG GLU A 71 -11.306 10.385 15.238 1.00 44.16 C ATOM 671 CD GLU A 71 -11.422 8.898 14.911 1.00 45.94 C ATOM 672 OE1 GLU A 71 -12.112 8.541 13.929 1.00 47.25 O ATOM 673 OE2 GLU A 71 -10.823 8.080 15.644 1.00 48.53 O ATOM 674 H GLU A 71 -9.732 12.053 11.933 1.00 0.00 H ATOM 675 N ARG A 72 -8.381 9.184 13.292 1.00 38.18 N ATOM 676 CA ARG A 72 -7.745 7.875 13.476 1.00 36.16 C ATOM 677 C ARG A 72 -6.218 7.973 13.643 1.00 32.91 C ATOM 678 O ARG A 72 -5.584 7.044 14.164 1.00 32.71 O ATOM 679 CB ARG A 72 -8.100 7.017 12.270 1.00 38.61 C ATOM 680 CG ARG A 72 -7.959 5.516 12.419 1.00 40.74 C ATOM 681 CD ARG A 72 -8.586 4.824 11.212 1.00 42.02 C ATOM 682 NE ARG A 72 -10.055 4.826 11.251 1.00 43.85 N ATOM 683 CZ ARG A 72 -10.876 5.736 10.706 1.00 44.18 C ATOM 684 NH1 ARG A 72 -10.426 6.809 10.049 1.00 44.29 N ATOM 685 NH2 ARG A 72 -12.195 5.574 10.839 1.00 44.42 N ATOM 686 HE ARG A 72 -10.507 4.037 11.756 1.00 0.00 H ATOM 687 HH12 ARG A 72 -11.099 7.490 9.642 1.00 0.00 H ATOM 688 HH11 ARG A 72 -9.403 6.964 9.945 1.00 0.00 H ATOM 689 HH22 ARG A 72 -12.849 6.268 10.424 1.00 0.00 H ATOM 690 HH21 ARG A 72 -12.568 4.754 11.358 1.00 0.00 H ATOM 691 H ARG A 72 -8.725 9.440 12.345 1.00 0.00 H ATOM 692 N GLY A 73 -5.638 9.085 13.178 1.00 28.82 N ATOM 693 CA GLY A 73 -4.219 9.386 13.379 1.00 24.97 C ATOM 694 C GLY A 73 -3.483 9.811 12.118 1.00 21.91 C ATOM 695 O GLY A 73 -4.069 10.395 11.204 1.00 21.83 O ATOM 696 H GLY A 73 -6.221 9.766 12.650 1.00 0.00 H ATOM 697 N ILE A 74 -2.180 9.547 12.097 1.00 18.44 N ATOM 698 CA ILE A 74 -1.321 9.911 10.979 1.00 16.34 C ATOM 699 C ILE A 74 -1.229 8.711 10.052 1.00 14.82 C ATOM 700 O ILE A 74 -0.802 7.637 10.469 1.00 14.28 O ATOM 701 CB ILE A 74 0.093 10.307 11.451 1.00 15.92 C ATOM 702 CG1 ILE A 74 0.005 11.531 12.375 1.00 15.89 C ATOM 703 CG2 ILE A 74 0.994 10.592 10.253 1.00 15.64 C ATOM 704 CD1 ILE A 74 1.299 11.898 13.066 1.00 16.17 C ATOM 705 H ILE A 74 -1.757 9.060 12.913 1.00 0.00 H ATOM 706 N PHE A 75 -1.630 8.898 8.797 1.00 13.53 N ATOM 707 CA PHE A 75 -1.454 7.863 7.779 1.00 12.58 C ATOM 708 C PHE A 75 -0.290 8.211 6.843 1.00 11.58 C ATOM 709 O PHE A 75 -0.312 9.256 6.212 1.00 10.89 O ATOM 710 CB PHE A 75 -2.729 7.689 6.958 1.00 12.66 C ATOM 711 CG PHE A 75 -2.595 6.674 5.868 1.00 12.48 C ATOM 712 CD1 PHE A 75 -2.541 5.312 6.177 1.00 12.96 C ATOM 713 CD2 PHE A 75 -2.507 7.063 4.531 1.00 12.68 C ATOM 714 CE1 PHE A 75 -2.415 4.359 5.172 1.00 12.69 C ATOM 715 CE2 PHE A 75 -2.371 6.108 3.527 1.00 12.66 C ATOM 716 CZ PHE A 75 -2.330 4.759 3.851 1.00 12.52 C ATOM 717 H PHE A 75 -2.078 9.799 8.535 1.00 0.00 H ATOM 718 N CYS A 76 0.683 7.303 6.732 1.00 10.78 N ATOM 719 CA CYS A 76 1.874 7.507 5.896 1.00 10.54 C ATOM 720 C CYS A 76 1.757 6.824 4.530 1.00 10.43 C ATOM 721 O CYS A 76 1.143 5.767 4.391 1.00 10.62 O ATOM 722 CB CYS A 76 3.115 6.958 6.605 1.00 10.38 C ATOM 723 SG CYS A 76 3.779 8.015 7.902 1.00 9.85 S ATOM 724 H CYS A 76 0.594 6.412 7.261 1.00 0.00 H ATOM 725 N ALA A 77 2.397 7.403 3.524 1.00 10.37 N ATOM 726 CA ALA A 77 2.408 6.798 2.192 1.00 10.23 C ATOM 727 C ALA A 77 3.555 7.345 1.376 1.00 10.06 C ATOM 728 O ALA A 77 4.200 8.307 1.759 1.00 9.78 O ATOM 729 CB ALA A 77 1.078 7.067 1.484 1.00 10.27 C ATOM 730 H ALA A 77 2.898 8.300 3.684 1.00 0.00 H ATOM 731 N GLY A 78 3.788 6.718 0.234 1.00 10.26 N ATOM 732 CA GLY A 78 4.863 7.115 -0.681 1.00 10.22 C ATOM 733 C GLY A 78 5.132 5.989 -1.645 1.00 10.46 C ATOM 734 O GLY A 78 4.833 4.840 -1.340 1.00 9.99 O ATOM 735 H GLY A 78 3.185 5.911 -0.025 1.00 0.00 H ATOM 736 N ARG A 79 5.681 6.333 -2.810 1.00 10.85 N ATOM 737 CA ARG A 79 5.988 5.343 -3.839 1.00 11.11 C ATOM 738 C ARG A 79 6.999 4.297 -3.350 1.00 11.19 C ATOM 739 O ARG A 79 6.845 3.115 -3.628 1.00 11.35 O ATOM 740 CB ARG A 79 6.511 6.040 -5.100 1.00 11.35 C ATOM 741 CG ARG A 79 6.623 5.146 -6.325 1.00 11.40 C ATOM 742 CD ARG A 79 7.410 5.849 -7.425 1.00 11.49 C ATOM 743 NE ARG A 79 6.640 6.884 -8.117 1.00 11.41 N ATOM 744 CZ ARG A 79 5.749 6.661 -9.079 1.00 11.28 C ATOM 745 NH1 ARG A 79 5.468 5.427 -9.473 1.00 11.08 N ATOM 746 NH2 ARG A 79 5.130 7.687 -9.646 1.00 11.01 N ATOM 747 HE ARG A 79 6.802 7.872 -7.834 1.00 0.00 H ATOM 748 HH12 ARG A 79 4.769 5.268 -10.226 1.00 0.00 H ATOM 749 HH11 ARG A 79 5.947 4.618 -9.029 1.00 0.00 H ATOM 750 HH22 ARG A 79 4.432 7.522 -10.399 1.00 0.00 H ATOM 751 HH21 ARG A 79 5.342 8.657 -9.338 1.00 0.00 H ATOM 752 H ARG A 79 5.897 7.334 -2.991 1.00 0.00 H ATOM 753 N THR A 80 8.021 4.732 -2.612 1.00 11.07 N ATOM 754 CA THR A 80 9.091 3.833 -2.184 1.00 10.63 C ATOM 755 C THR A 80 9.026 3.545 -0.687 1.00 10.50 C ATOM 756 O THR A 80 8.494 4.331 0.111 1.00 10.11 O ATOM 757 CB THR A 80 10.497 4.401 -2.489 1.00 10.69 C ATOM 758 OG1 THR A 80 10.788 5.485 -1.603 1.00 10.17 O ATOM 759 CG2 THR A 80 10.615 4.885 -3.932 1.00 10.85 C ATOM 760 HG1 THR A 80 11.689 5.842 -1.805 1.00 0.00 H ATOM 761 H THR A 80 8.058 5.734 -2.335 1.00 0.00 H ATOM 762 N THR A 81 9.589 2.401 -0.325 1.00 10.01 N ATOM 763 CA THR A 81 9.704 1.987 1.066 1.00 9.92 C ATOM 764 C THR A 81 10.510 2.996 1.896 1.00 9.80 C ATOM 765 O THR A 81 10.125 3.284 3.037 1.00 9.38 O ATOM 766 CB THR A 81 10.322 0.585 1.146 1.00 9.85 C ATOM 767 OG1 THR A 81 9.612 -0.266 0.238 1.00 10.00 O ATOM 768 CG2 THR A 81 10.248 0.006 2.566 1.00 9.80 C ATOM 769 HG1 THR A 81 8.657 -0.298 0.496 1.00 0.00 H ATOM 770 H THR A 81 9.964 1.774 -1.065 1.00 0.00 H ATOM 771 N CYS A 82 11.584 3.555 1.318 1.00 9.61 N ATOM 772 CA CYS A 82 12.365 4.604 2.003 1.00 9.83 C ATOM 773 C CYS A 82 11.536 5.849 2.322 1.00 9.70 C ATOM 774 O CYS A 82 11.699 6.457 3.386 1.00 9.21 O ATOM 775 CB CYS A 82 13.607 4.996 1.195 1.00 9.87 C ATOM 776 SG CYS A 82 14.925 3.775 1.292 1.00 10.63 S ATOM 777 H CYS A 82 11.872 3.243 0.369 1.00 0.00 H ATOM 778 N GLN A 83 10.650 6.231 1.405 1.00 9.86 N ATOM 779 CA GLN A 83 9.759 7.371 1.658 1.00 10.15 C ATOM 780 C GLN A 83 8.806 7.046 2.826 1.00 9.84 C ATOM 781 O GLN A 83 8.612 7.858 3.735 1.00 9.23 O ATOM 782 CB GLN A 83 8.984 7.751 0.387 1.00 10.86 C ATOM 783 CG GLN A 83 9.842 8.346 -0.734 1.00 11.50 C ATOM 784 CD GLN A 83 9.169 8.274 -2.120 1.00 12.62 C ATOM 785 OE1 GLN A 83 8.191 7.569 -2.323 1.00 13.32 O ATOM 786 NE2 GLN A 83 9.742 8.957 -3.079 1.00 13.98 N ATOM 787 HE22 GLN A 83 10.573 9.547 -2.872 1.00 0.00 H ATOM 788 HE21 GLN A 83 9.366 8.909 -4.048 1.00 0.00 H ATOM 789 H GLN A 83 10.588 5.718 0.502 1.00 0.00 H ATOM 790 N ARG A 84 8.248 5.836 2.816 1.00 9.41 N ATOM 791 CA ARG A 84 7.332 5.424 3.872 1.00 9.59 C ATOM 792 C ARG A 84 8.045 5.316 5.238 1.00 9.14 C ATOM 793 O ARG A 84 7.492 5.722 6.268 1.00 8.36 O ATOM 794 CB ARG A 84 6.619 4.137 3.464 1.00 10.18 C ATOM 795 CG ARG A 84 5.724 4.364 2.235 1.00 10.53 C ATOM 796 CD ARG A 84 5.176 3.082 1.615 1.00 11.27 C ATOM 797 NE ARG A 84 4.187 2.431 2.451 1.00 11.67 N ATOM 798 CZ ARG A 84 3.356 1.469 2.053 1.00 11.92 C ATOM 799 NH1 ARG A 84 3.344 1.013 0.799 1.00 12.65 N ATOM 800 NH2 ARG A 84 2.516 0.954 2.926 1.00 11.86 N ATOM 801 HE ARG A 84 4.121 2.740 3.442 1.00 0.00 H ATOM 802 HH12 ARG A 84 2.680 0.260 0.526 1.00 0.00 H ATOM 803 HH11 ARG A 84 3.998 1.410 0.095 1.00 0.00 H ATOM 804 HH22 ARG A 84 1.859 0.202 2.635 1.00 0.00 H ATOM 805 HH21 ARG A 84 2.509 1.299 3.907 1.00 0.00 H ATOM 806 H ARG A 84 8.469 5.176 2.043 1.00 0.00 H ATOM 807 N LEU A 85 9.279 4.808 5.215 1.00 8.95 N ATOM 808 CA LEU A 85 10.132 4.715 6.422 1.00 9.12 C ATOM 809 C LEU A 85 10.417 6.077 7.011 1.00 9.22 C ATOM 810 O LEU A 85 10.367 6.247 8.229 1.00 9.14 O ATOM 811 CB LEU A 85 11.468 4.029 6.103 1.00 9.11 C ATOM 812 CG LEU A 85 11.417 2.504 6.004 1.00 9.24 C ATOM 813 CD1 LEU A 85 12.654 1.938 5.314 1.00 9.36 C ATOM 814 CD2 LEU A 85 11.235 1.906 7.389 1.00 9.39 C ATOM 815 H LEU A 85 9.658 4.462 4.310 1.00 0.00 H ATOM 816 N THR A 86 10.738 7.039 6.147 1.00 9.22 N ATOM 817 CA THR A 86 11.010 8.405 6.600 1.00 9.26 C ATOM 818 C THR A 86 9.765 8.979 7.265 1.00 9.26 C ATOM 819 O THR A 86 9.846 9.602 8.344 1.00 8.75 O ATOM 820 CB THR A 86 11.479 9.306 5.449 1.00 9.47 C ATOM 821 OG1 THR A 86 12.614 8.716 4.813 1.00 9.64 O ATOM 822 CG2 THR A 86 11.840 10.701 5.960 1.00 9.52 C ATOM 823 HG1 THR A 86 12.366 7.827 4.456 1.00 0.00 H ATOM 824 H THR A 86 10.796 6.816 5.133 1.00 0.00 H ATOM 825 N CYS A 87 8.612 8.733 6.648 1.00 9.13 N ATOM 826 CA CYS A 87 7.339 9.143 7.228 1.00 9.19 C ATOM 827 C CYS A 87 7.102 8.524 8.611 1.00 9.24 C ATOM 828 O CYS A 87 6.593 9.209 9.517 1.00 9.61 O ATOM 829 CB CYS A 87 6.175 8.823 6.282 1.00 9.19 C ATOM 830 SG CYS A 87 4.600 9.513 6.824 1.00 9.30 S ATOM 831 H CYS A 87 8.619 8.238 5.733 1.00 0.00 H ATOM 832 N GLU A 88 7.465 7.247 8.779 1.00 9.22 N ATOM 833 CA GLU A 88 7.312 6.571 10.074 1.00 9.25 C ATOM 834 C GLU A 88 8.184 7.203 11.146 1.00 9.14 C ATOM 835 O GLU A 88 7.736 7.379 12.263 1.00 9.34 O ATOM 836 CB GLU A 88 7.633 5.073 9.993 1.00 9.29 C ATOM 837 CG GLU A 88 6.609 4.245 9.251 1.00 9.31 C ATOM 838 CD GLU A 88 5.264 4.152 9.951 1.00 9.43 C ATOM 839 OE1 GLU A 88 5.243 4.076 11.201 1.00 9.56 O ATOM 840 OE2 GLU A 88 4.226 4.147 9.244 1.00 9.16 O ATOM 841 H GLU A 88 7.864 6.722 7.975 1.00 0.00 H ATOM 842 N CYS A 89 9.433 7.516 10.816 1.00 9.23 N ATOM 843 CA CYS A 89 10.345 8.206 11.759 1.00 9.59 C ATOM 844 C CYS A 89 9.748 9.552 12.175 1.00 9.57 C ATOM 845 O CYS A 89 9.704 9.886 13.367 1.00 9.38 O ATOM 846 CB CYS A 89 11.729 8.460 11.135 1.00 9.83 C ATOM 847 SG CYS A 89 12.849 7.042 11.000 1.00 10.51 S ATOM 848 H CYS A 89 9.781 7.269 9.867 1.00 0.00 H ATOM 849 N ASP A 90 9.277 10.304 11.184 1.00 9.49 N ATOM 850 CA ASP A 90 8.709 11.630 11.428 1.00 9.87 C ATOM 851 C ASP A 90 7.420 11.559 12.251 1.00 10.34 C ATOM 852 O ASP A 90 7.233 12.348 13.176 1.00 10.19 O ATOM 853 CB ASP A 90 8.443 12.360 10.116 1.00 9.70 C ATOM 854 CG ASP A 90 9.713 12.759 9.381 1.00 9.68 C ATOM 855 OD1 ASP A 90 10.843 12.396 9.781 1.00 9.16 O ATOM 856 OD2 ASP A 90 9.578 13.458 8.371 1.00 9.83 O ATOM 857 H ASP A 90 9.313 9.940 10.210 1.00 0.00 H ATOM 858 N LYS A 91 6.543 10.622 11.888 1.00 10.77 N ATOM 859 CA LYS A 91 5.289 10.373 12.616 1.00 11.28 C ATOM 860 C LYS A 91 5.586 10.134 14.087 1.00 11.59 C ATOM 861 O LYS A 91 4.957 10.735 14.977 1.00 11.41 O ATOM 862 CB LYS A 91 4.547 9.180 11.987 1.00 11.36 C ATOM 863 CG LYS A 91 3.452 8.561 12.830 1.00 11.98 C ATOM 864 CD LYS A 91 2.596 7.616 12.008 1.00 12.32 C ATOM 865 CE LYS A 91 1.670 6.831 12.909 1.00 12.47 C ATOM 866 NZ LYS A 91 0.786 5.932 12.128 1.00 12.80 N ATOM 867 HZ1 LYS A 91 0.209 6.498 11.474 1.00 0.00 H ATOM 868 HZ2 LYS A 91 1.367 5.261 11.587 1.00 0.00 H ATOM 869 HZ3 LYS A 91 0.164 5.409 12.777 1.00 0.00 H ATOM 870 H LYS A 91 6.755 10.041 11.052 1.00 0.00 H ATOM 871 N ARG A 92 6.546 9.257 14.348 1.00 12.11 N ATOM 872 CA ARG A 92 6.878 8.921 15.728 1.00 12.78 C ATOM 873 C ARG A 92 7.377 10.145 16.490 1.00 11.76 C ATOM 874 O ARG A 92 6.965 10.365 17.629 1.00 11.16 O ATOM 875 CB ARG A 92 7.875 7.776 15.798 1.00 14.25 C ATOM 876 CG ARG A 92 8.002 7.192 17.189 1.00 15.78 C ATOM 877 CD ARG A 92 8.989 6.040 17.226 1.00 17.15 C ATOM 878 NE ARG A 92 8.569 4.985 16.314 1.00 17.88 N ATOM 879 CZ ARG A 92 9.176 4.624 15.186 1.00 19.23 C ATOM 880 NH1 ARG A 92 8.651 3.635 14.475 1.00 19.97 N ATOM 881 NH2 ARG A 92 10.313 5.192 14.768 1.00 20.50 N ATOM 882 HE ARG A 92 7.708 4.461 16.570 1.00 0.00 H ATOM 883 HH12 ARG A 92 9.105 3.333 13.590 1.00 0.00 H ATOM 884 HH11 ARG A 92 7.785 3.162 14.803 1.00 0.00 H ATOM 885 HH22 ARG A 92 10.754 4.880 13.880 1.00 0.00 H ATOM 886 HH21 ARG A 92 10.755 5.946 15.331 1.00 0.00 H ATOM 887 H ARG A 92 7.064 8.807 13.566 1.00 0.00 H ATOM 888 N ALA A 93 8.216 10.957 15.841 1.00 11.42 N ATOM 889 CA ALA A 93 8.708 12.190 16.447 1.00 11.38 C ATOM 890 C ALA A 93 7.599 13.222 16.689 1.00 11.28 C ATOM 891 O ALA A 93 7.568 13.877 17.735 1.00 11.00 O ATOM 892 CB ALA A 93 9.821 12.796 15.597 1.00 11.37 C ATOM 893 H ALA A 93 8.526 10.704 14.881 1.00 0.00 H ATOM 894 N ALA A 94 6.701 13.374 15.721 1.00 11.34 N ATOM 895 CA ALA A 94 5.617 14.343 15.837 1.00 11.35 C ATOM 896 C ALA A 94 4.626 13.947 16.933 1.00 11.36 C ATOM 897 O ALA A 94 4.172 14.808 17.692 1.00 11.59 O ATOM 898 CB ALA A 94 4.912 14.506 14.499 1.00 11.41 C ATOM 899 H ALA A 94 6.773 12.790 14.863 1.00 0.00 H ATOM 900 N LEU A 95 4.308 12.649 17.031 1.00 11.26 N ATOM 901 CA LEU A 95 3.511 12.125 18.155 1.00 11.38 C ATOM 902 C LEU A 95 4.213 12.332 19.498 1.00 11.41 C ATOM 903 O LEU A 95 3.578 12.663 20.504 1.00 11.67 O ATOM 904 CB LEU A 95 3.193 10.638 17.960 1.00 11.25 C ATOM 905 CG LEU A 95 2.206 10.341 16.817 1.00 11.28 C ATOM 906 CD1 LEU A 95 2.156 8.845 16.548 1.00 11.37 C ATOM 907 CD2 LEU A 95 0.814 10.895 17.109 1.00 11.44 C ATOM 908 H LEU A 95 4.633 11.992 16.293 1.00 0.00 H ATOM 909 N CYS A 96 5.518 12.144 19.504 1.00 11.33 N ATOM 910 CA CYS A 96 6.323 12.379 20.706 1.00 11.29 C ATOM 911 C CYS A 96 6.251 13.854 21.138 1.00 11.69 C ATOM 912 O CYS A 96 6.025 14.164 22.334 1.00 11.44 O ATOM 913 CB CYS A 96 7.755 11.910 20.451 1.00 11.03 C ATOM 914 SG CYS A 96 8.855 11.906 21.882 1.00 10.89 S ATOM 915 H CYS A 96 5.988 11.821 18.634 1.00 0.00 H ATOM 916 N PHE A 97 6.390 14.758 20.172 1.00 12.02 N ATOM 917 CA PHE A 97 6.243 16.187 20.435 1.00 12.88 C ATOM 918 C PHE A 97 4.881 16.497 21.065 1.00 13.74 C ATOM 919 O PHE A 97 4.830 17.167 22.098 1.00 13.89 O ATOM 920 CB PHE A 97 6.412 17.037 19.161 1.00 12.68 C ATOM 921 CG PHE A 97 7.805 17.045 18.575 1.00 12.61 C ATOM 922 CD1 PHE A 97 8.949 16.739 19.327 1.00 12.45 C ATOM 923 CD2 PHE A 97 7.977 17.445 17.250 1.00 12.75 C ATOM 924 CE1 PHE A 97 10.204 16.791 18.747 1.00 12.11 C ATOM 925 CE2 PHE A 97 9.231 17.508 16.678 1.00 12.40 C ATOM 926 CZ PHE A 97 10.345 17.174 17.427 1.00 12.32 C ATOM 927 H PHE A 97 6.609 14.439 19.206 1.00 0.00 H ATOM 928 N ARG A 98 3.801 16.008 20.446 1.00 14.82 N ATOM 929 CA ARG A 98 2.439 16.208 20.967 1.00 15.81 C ATOM 930 C ARG A 98 2.277 15.669 22.379 1.00 15.98 C ATOM 931 O ARG A 98 1.749 16.367 23.257 1.00 16.03 O ATOM 932 CB ARG A 98 1.376 15.560 20.066 1.00 16.79 C ATOM 933 CG ARG A 98 -0.059 15.891 20.493 1.00 17.61 C ATOM 934 CD ARG A 98 -1.102 15.379 19.510 1.00 18.71 C ATOM 935 NE ARG A 98 -1.246 13.922 19.556 1.00 19.70 N ATOM 936 CZ ARG A 98 -2.171 13.221 18.895 1.00 20.97 C ATOM 937 NH1 ARG A 98 -3.077 13.829 18.127 1.00 21.71 N ATOM 938 NH2 ARG A 98 -2.193 11.896 19.001 1.00 21.38 N ATOM 939 HE ARG A 98 -0.576 13.392 20.149 1.00 0.00 H ATOM 940 HH12 ARG A 98 -3.790 13.267 17.620 1.00 0.00 H ATOM 941 HH11 ARG A 98 -3.070 14.865 18.036 1.00 0.00 H ATOM 942 HH22 ARG A 98 -2.911 11.345 18.489 1.00 0.00 H ATOM 943 HH21 ARG A 98 -1.492 11.410 19.596 1.00 0.00 H ATOM 944 H ARG A 98 3.928 15.468 19.566 1.00 0.00 H ATOM 945 N ARG A 99 2.721 14.432 22.586 1.00 15.75 N ATOM 946 CA ARG A 99 2.637 13.758 23.884 1.00 16.72 C ATOM 947 C ARG A 99 3.358 14.552 24.996 1.00 16.68 C ATOM 948 O ARG A 99 2.918 14.556 26.142 1.00 16.19 O ATOM 949 CB ARG A 99 3.211 12.340 23.767 1.00 17.99 C ATOM 950 CG ARG A 99 2.976 11.437 24.960 1.00 18.73 C ATOM 951 CD ARG A 99 3.378 9.992 24.651 1.00 19.48 C ATOM 952 NE ARG A 99 4.814 9.838 24.335 1.00 19.96 N ATOM 953 CZ ARG A 99 5.342 9.558 23.136 1.00 19.85 C ATOM 954 NH1 ARG A 99 6.662 9.442 23.022 1.00 19.89 N ATOM 955 NH2 ARG A 99 4.589 9.374 22.050 1.00 19.65 N ATOM 956 HE ARG A 99 5.482 9.959 25.123 1.00 0.00 H ATOM 957 HH12 ARG A 99 7.087 9.225 22.098 1.00 0.00 H ATOM 958 HH11 ARG A 99 7.269 9.568 23.857 1.00 0.00 H ATOM 959 HH22 ARG A 99 5.037 9.158 21.137 1.00 0.00 H ATOM 960 HH21 ARG A 99 3.554 9.446 22.117 1.00 0.00 H ATOM 961 H ARG A 99 3.148 13.919 21.788 1.00 0.00 H ATOM 962 N ASN A 100 4.425 15.264 24.634 1.00 16.25 N ATOM 963 CA ASN A 100 5.194 16.081 25.584 1.00 16.43 C ATOM 964 C ASN A 100 4.939 17.593 25.540 1.00 16.49 C ATOM 965 O ASN A 100 5.766 18.376 26.041 1.00 16.11 O ATOM 966 CB ASN A 100 6.673 15.772 25.390 1.00 16.13 C ATOM 967 CG ASN A 100 7.002 14.361 25.797 1.00 16.10 C ATOM 968 OD1 ASN A 100 6.968 14.051 26.985 1.00 15.81 O ATOM 969 ND2 ASN A 100 7.295 13.490 24.824 1.00 15.33 N ATOM 970 HD22 ASN A 100 7.310 13.804 23.833 1.00 0.00 H ATOM 971 HD21 ASN A 100 7.507 12.499 25.059 1.00 0.00 H ATOM 972 H ASN A 100 4.726 15.241 23.639 1.00 0.00 H ATOM 973 N LEU A 101 3.793 18.014 24.992 1.00 16.50 N ATOM 974 CA LEU A 101 3.457 19.449 24.964 1.00 16.90 C ATOM 975 C LEU A 101 3.415 20.072 26.360 1.00 17.19 C ATOM 976 O LEU A 101 3.779 21.230 26.516 1.00 16.96 O ATOM 977 CB LEU A 101 2.142 19.720 24.221 1.00 17.03 C ATOM 978 CG LEU A 101 2.274 19.737 22.696 1.00 17.35 C ATOM 979 CD1 LEU A 101 0.907 19.748 22.022 1.00 17.34 C ATOM 980 CD2 LEU A 101 3.105 20.913 22.210 1.00 17.15 C ATOM 981 H LEU A 101 3.133 17.322 24.582 1.00 0.00 H ATOM 982 N GLY A 102 2.994 19.291 27.358 1.00 17.39 N ATOM 983 CA GLY A 102 2.981 19.717 28.756 1.00 17.17 C ATOM 984 C GLY A 102 4.287 20.222 29.351 1.00 17.44 C ATOM 985 O GLY A 102 4.255 21.095 30.219 1.00 18.85 O ATOM 986 H GLY A 102 2.659 18.333 27.129 1.00 0.00 H ATOM 987 N THR A 103 5.430 19.696 28.899 1.00 16.16 N ATOM 988 CA THR A 103 6.740 20.148 29.396 1.00 15.54 C ATOM 989 C THR A 103 7.571 20.924 28.367 1.00 14.84 C ATOM 990 O THR A 103 8.700 21.338 28.669 1.00 14.44 O ATOM 991 CB THR A 103 7.564 18.979 29.942 1.00 15.85 C ATOM 992 OG1 THR A 103 7.853 18.061 28.882 1.00 15.98 O ATOM 993 CG2 THR A 103 6.796 18.261 31.082 1.00 16.02 C ATOM 994 HG1 THR A 103 8.367 18.526 28.175 1.00 0.00 H ATOM 995 H THR A 103 5.393 18.948 28.177 1.00 0.00 H ATOM 996 N TYR A 104 7.025 21.133 27.165 1.00 13.78 N ATOM 997 CA TYR A 104 7.636 22.043 26.212 1.00 13.32 C ATOM 998 C TYR A 104 7.884 23.370 26.938 1.00 13.41 C ATOM 999 O TYR A 104 6.976 23.903 27.572 1.00 13.74 O ATOM 1000 CB TYR A 104 6.741 22.278 24.979 1.00 12.86 C ATOM 1001 CG TYR A 104 7.416 23.185 23.967 1.00 12.73 C ATOM 1002 CD1 TYR A 104 7.432 24.573 24.140 1.00 12.40 C ATOM 1003 CD2 TYR A 104 8.084 22.653 22.856 1.00 12.49 C ATOM 1004 CE1 TYR A 104 8.068 25.408 23.230 1.00 12.53 C ATOM 1005 CE2 TYR A 104 8.716 23.478 21.941 1.00 12.53 C ATOM 1006 CZ TYR A 104 8.710 24.862 22.139 1.00 12.72 C ATOM 1007 OH TYR A 104 9.349 25.681 21.236 1.00 12.91 O ATOM 1008 HH TYR A 104 9.251 26.624 21.521 1.00 0.00 H ATOM 1009 H TYR A 104 6.148 20.636 26.908 1.00 0.00 H ATOM 1010 N ASN A 105 9.113 23.873 26.851 1.00 13.68 N ATOM 1011 CA ASN A 105 9.511 25.122 27.495 1.00 14.20 C ATOM 1012 C ASN A 105 10.150 26.054 26.467 1.00 14.28 C ATOM 1013 O ASN A 105 11.141 25.696 25.829 1.00 13.67 O ATOM 1014 CB ASN A 105 10.494 24.847 28.634 1.00 14.55 C ATOM 1015 CG ASN A 105 10.666 26.046 29.562 1.00 15.15 C ATOM 1016 OD1 ASN A 105 10.606 27.205 29.141 1.00 15.13 O ATOM 1017 ND2 ASN A 105 10.884 25.767 30.832 1.00 15.88 N ATOM 1018 HD22 ASN A 105 10.927 24.777 31.147 1.00 0.00 H ATOM 1019 HD21 ASN A 105 11.013 26.537 31.519 1.00 0.00 H ATOM 1020 H ASN A 105 9.824 23.352 26.298 1.00 0.00 H ATOM 1021 N ARG A 106 9.596 27.263 26.351 1.00 15.13 N ATOM 1022 CA ARG A 106 10.051 28.263 25.372 1.00 15.80 C ATOM 1023 C ARG A 106 11.503 28.663 25.546 1.00 15.96 C ATOM 1024 O ARG A 106 12.150 29.063 24.578 1.00 15.78 O ATOM 1025 CB ARG A 106 9.162 29.516 25.387 1.00 16.42 C ATOM 1026 CG ARG A 106 7.900 29.345 24.561 1.00 17.22 C ATOM 1027 CD ARG A 106 7.161 30.658 24.408 1.00 18.22 C ATOM 1028 NE ARG A 106 6.610 31.125 25.676 1.00 19.32 N ATOM 1029 CZ ARG A 106 5.458 30.723 26.215 1.00 20.50 C ATOM 1030 NH1 ARG A 106 4.683 29.817 25.615 1.00 21.36 N ATOM 1031 NH2 ARG A 106 5.070 31.244 27.379 1.00 21.09 N ATOM 1032 HE ARG A 106 7.162 31.831 26.204 1.00 0.00 H ATOM 1033 HH12 ARG A 106 3.790 29.522 26.058 1.00 0.00 H ATOM 1034 HH11 ARG A 106 4.973 29.406 24.704 1.00 0.00 H ATOM 1035 HH22 ARG A 106 4.174 30.941 27.812 1.00 0.00 H ATOM 1036 HH21 ARG A 106 5.663 31.954 27.854 1.00 0.00 H ATOM 1037 H ARG A 106 8.807 27.509 26.982 1.00 0.00 H ATOM 1038 N LYS A 107 12.008 28.548 26.771 1.00 16.62 N ATOM 1039 CA LYS A 107 13.409 28.843 27.062 1.00 16.88 C ATOM 1040 C LYS A 107 14.411 27.894 26.370 1.00 16.66 C ATOM 1041 O LYS A 107 15.588 28.224 26.281 1.00 16.45 O ATOM 1042 CB LYS A 107 13.655 28.840 28.571 1.00 17.37 C ATOM 1043 CG LYS A 107 13.956 27.476 29.154 1.00 18.23 C ATOM 1044 CD LYS A 107 14.001 27.517 30.661 1.00 18.51 C ATOM 1045 CE LYS A 107 14.564 26.225 31.208 1.00 18.70 C ATOM 1046 NZ LYS A 107 14.628 26.286 32.691 1.00 19.47 N ATOM 1047 HZ1 LYS A 107 15.241 27.076 32.978 1.00 0.00 H ATOM 1048 HZ2 LYS A 107 13.671 26.432 33.072 1.00 0.00 H ATOM 1049 HZ3 LYS A 107 15.016 25.393 33.057 1.00 0.00 H ATOM 1050 H LYS A 107 11.387 28.239 27.545 1.00 0.00 H ATOM 1051 N TYR A 108 13.963 26.722 25.921 1.00 16.47 N ATOM 1052 CA TYR A 108 14.832 25.789 25.194 1.00 16.65 C ATOM 1053 C TYR A 108 14.773 25.962 23.677 1.00 17.47 C ATOM 1054 O TYR A 108 15.575 25.365 22.956 1.00 16.37 O ATOM 1055 CB TYR A 108 14.512 24.330 25.566 1.00 16.23 C ATOM 1056 CG TYR A 108 14.834 23.954 27.000 1.00 15.97 C ATOM 1057 CD1 TYR A 108 16.099 24.210 27.542 1.00 16.20 C ATOM 1058 CD2 TYR A 108 13.898 23.302 27.806 1.00 15.65 C ATOM 1059 CE1 TYR A 108 16.414 23.850 28.841 1.00 16.18 C ATOM 1060 CE2 TYR A 108 14.206 22.934 29.117 1.00 15.73 C ATOM 1061 CZ TYR A 108 15.461 23.221 29.628 1.00 16.11 C ATOM 1062 OH TYR A 108 15.796 22.868 30.906 1.00 15.94 O ATOM 1063 HH TYR A 108 16.726 23.153 31.093 1.00 0.00 H ATOM 1064 H TYR A 108 12.971 26.461 26.090 1.00 0.00 H ATOM 1065 N ALA A 109 13.841 26.769 23.180 1.00 18.19 N ATOM 1066 CA ALA A 109 13.877 27.144 21.781 1.00 19.45 C ATOM 1067 C ALA A 109 15.132 27.978 21.537 1.00 20.33 C ATOM 1068 O ALA A 109 15.459 28.862 22.331 1.00 21.27 O ATOM 1069 CB ALA A 109 12.625 27.924 21.394 1.00 19.56 C ATOM 1070 H ALA A 109 13.085 27.131 23.796 1.00 0.00 H ATOM 1071 N HIS A 110 15.840 27.665 20.453 1.00 21.75 N ATOM 1072 CA HIS A 110 17.064 28.366 20.052 1.00 22.60 C ATOM 1073 C HIS A 110 18.125 28.284 21.133 1.00 22.71 C ATOM 1074 O HIS A 110 18.836 29.245 21.404 1.00 21.78 O ATOM 1075 CB HIS A 110 16.748 29.820 19.661 1.00 23.98 C ATOM 1076 CG HIS A 110 15.572 29.929 18.753 1.00 25.38 C ATOM 1077 ND1 HIS A 110 15.609 29.489 17.448 1.00 26.47 N ATOM 1078 CD2 HIS A 110 14.305 30.348 18.976 1.00 26.20 C ATOM 1079 CE1 HIS A 110 14.423 29.664 16.894 1.00 27.15 C ATOM 1080 NE2 HIS A 110 13.615 30.185 17.800 1.00 27.32 N ATOM 1081 H HIS A 110 15.506 26.880 19.858 1.00 0.00 H ATOM 1082 N TYR A 111 18.236 27.098 21.720 1.00 22.47 N ATOM 1083 CA TYR A 111 19.087 26.870 22.859 1.00 22.75 C ATOM 1084 C TYR A 111 20.541 27.005 22.410 1.00 24.72 C ATOM 1085 O TYR A 111 20.925 26.391 21.421 1.00 26.60 O ATOM 1086 CB TYR A 111 18.814 25.476 23.413 1.00 21.63 C ATOM 1087 CG TYR A 111 19.381 25.166 24.778 1.00 20.60 C ATOM 1088 CD1 TYR A 111 18.972 25.871 25.917 1.00 19.60 C ATOM 1089 CD2 TYR A 111 20.282 24.119 24.946 1.00 20.14 C ATOM 1090 CE1 TYR A 111 19.478 25.550 27.173 1.00 19.61 C ATOM 1091 CE2 TYR A 111 20.786 23.798 26.193 1.00 19.73 C ATOM 1092 CZ TYR A 111 20.382 24.506 27.300 1.00 19.65 C ATOM 1093 OH TYR A 111 20.913 24.149 28.519 1.00 19.98 O ATOM 1094 HH TYR A 111 20.540 24.735 29.224 1.00 0.00 H ATOM 1095 H TYR A 111 17.686 26.301 21.341 1.00 0.00 H ATOM 1096 N PRO A 112 21.341 27.838 23.106 1.00 26.83 N ATOM 1097 CA PRO A 112 22.779 27.920 22.796 1.00 27.41 C ATOM 1098 C PRO A 112 23.454 26.570 23.056 1.00 27.95 C ATOM 1099 O PRO A 112 23.447 26.094 24.189 1.00 24.83 O ATOM 1100 CB PRO A 112 23.312 29.004 23.752 1.00 27.90 C ATOM 1101 CG PRO A 112 22.129 29.610 24.430 1.00 27.97 C ATOM 1102 CD PRO A 112 20.938 28.736 24.208 1.00 27.41 C ATOM 1103 N ASN A 113 24.008 25.954 22.010 1.00 29.71 N ATOM 1104 CA ASN A 113 24.506 24.572 22.124 1.00 30.58 C ATOM 1105 C ASN A 113 25.783 24.446 22.977 1.00 30.41 C ATOM 1106 O ASN A 113 26.157 23.341 23.358 1.00 31.11 O ATOM 1107 CB ASN A 113 24.642 23.895 20.736 1.00 31.50 C ATOM 1108 CG ASN A 113 23.319 23.282 20.226 1.00 32.93 C ATOM 1109 OD1 ASN A 113 22.216 23.523 20.763 1.00 31.88 O ATOM 1110 ND2 ASN A 113 23.430 22.481 19.177 1.00 33.40 N ATOM 1111 HD22 ASN A 113 24.364 22.303 18.755 1.00 0.00 H ATOM 1112 HD21 ASN A 113 22.583 22.030 18.775 1.00 0.00 H ATOM 1113 H ASN A 113 24.089 26.456 21.103 1.00 0.00 H ATOM 1114 N LYS A 114 26.420 25.567 23.315 1.00 30.28 N ATOM 1115 CA LYS A 114 27.461 25.590 24.350 1.00 30.01 C ATOM 1116 C LYS A 114 26.942 25.264 25.748 1.00 27.09 C ATOM 1117 O LYS A 114 27.721 24.888 26.621 1.00 26.79 O ATOM 1118 CB LYS A 114 28.174 26.950 24.385 1.00 33.38 C ATOM 1119 CG LYS A 114 27.348 28.102 24.956 1.00 35.78 C ATOM 1120 CD LYS A 114 27.459 29.369 24.108 1.00 37.31 C ATOM 1121 CE LYS A 114 26.602 29.297 22.843 1.00 38.04 C ATOM 1122 NZ LYS A 114 27.275 28.790 21.615 1.00 37.85 N ATOM 1123 HZ1 LYS A 114 28.078 29.408 21.381 1.00 0.00 H ATOM 1124 HZ2 LYS A 114 27.618 27.823 21.783 1.00 0.00 H ATOM 1125 HZ3 LYS A 114 26.597 28.787 20.826 1.00 0.00 H ATOM 1126 H LYS A 114 26.172 26.453 22.830 1.00 0.00 H ATOM 1127 N LEU A 115 25.639 25.437 25.971 1.00 24.61 N ATOM 1128 CA LEU A 115 25.009 25.038 27.233 1.00 23.13 C ATOM 1129 C LEU A 115 24.755 23.543 27.321 1.00 21.06 C ATOM 1130 O LEU A 115 24.424 23.037 28.396 1.00 20.83 O ATOM 1131 CB LEU A 115 23.698 25.799 27.450 1.00 23.08 C ATOM 1132 CG LEU A 115 23.853 27.315 27.586 1.00 24.53 C ATOM 1133 CD1 LEU A 115 22.501 28.004 27.649 1.00 24.73 C ATOM 1134 CD2 LEU A 115 24.670 27.666 28.826 1.00 25.38 C ATOM 1135 H LEU A 115 25.052 25.868 25.228 1.00 0.00 H ATOM 1136 N CYS A 116 24.874 22.840 26.195 1.00 19.01 N ATOM 1137 CA CYS A 116 24.751 21.387 26.168 1.00 18.13 C ATOM 1138 C CYS A 116 25.979 20.750 26.826 1.00 18.16 C ATOM 1139 O CYS A 116 27.099 20.983 26.385 1.00 18.37 O ATOM 1140 CB CYS A 116 24.561 20.900 24.736 1.00 17.02 C ATOM 1141 SG CYS A 116 23.045 21.565 23.981 1.00 15.55 S ATOM 1142 H CYS A 116 25.061 23.345 25.305 1.00 0.00 H ATOM 1143 N THR A 117 25.746 19.968 27.879 1.00 18.18 N ATOM 1144 CA THR A 117 26.810 19.357 28.687 1.00 18.60 C ATOM 1145 C THR A 117 26.534 17.886 28.972 1.00 19.05 C ATOM 1146 O THR A 117 25.411 17.404 28.810 1.00 18.20 O ATOM 1147 CB THR A 117 26.952 20.046 30.063 1.00 18.46 C ATOM 1148 OG1 THR A 117 25.705 19.992 30.775 1.00 18.10 O ATOM 1149 CG2 THR A 117 27.392 21.494 29.907 1.00 18.74 C ATOM 1150 HG1 THR A 117 25.444 19.047 30.910 1.00 0.00 H ATOM 1151 H THR A 117 24.758 19.780 28.143 1.00 0.00 H ATOM 1152 N GLY A 118 27.570 17.190 29.431 1.00 19.51 N ATOM 1153 CA GLY A 118 27.429 15.805 29.852 1.00 19.62 C ATOM 1154 C GLY A 118 27.609 14.830 28.708 1.00 19.67 C ATOM 1155 O GLY A 118 27.957 15.234 27.585 1.00 19.59 O ATOM 1156 H GLY A 118 28.503 17.647 29.490 1.00 0.00 H ATOM 1157 N PRO A 119 27.372 13.535 28.976 1.00 20.29 N ATOM 1158 CA PRO A 119 27.619 12.530 27.950 1.00 20.73 C ATOM 1159 C PRO A 119 26.551 12.561 26.851 1.00 20.98 C ATOM 1160 O PRO A 119 25.508 13.174 27.026 1.00 19.74 O ATOM 1161 CB PRO A 119 27.561 11.211 28.732 1.00 21.21 C ATOM 1162 CG PRO A 119 26.741 11.495 29.957 1.00 21.29 C ATOM 1163 CD PRO A 119 26.589 12.989 30.103 1.00 20.84 C ATOM 1164 N THR A 120 26.852 11.925 25.723 1.00 22.28 N ATOM 1165 CA THR A 120 25.918 11.753 24.606 1.00 21.82 C ATOM 1166 C THR A 120 25.278 10.370 24.737 1.00 22.24 C ATOM 1167 O THR A 120 25.996 9.366 24.666 1.00 23.12 O ATOM 1168 CB THR A 120 26.670 11.871 23.265 1.00 21.88 C ATOM 1169 OG1 THR A 120 27.196 13.197 23.134 1.00 21.90 O ATOM 1170 CG2 THR A 120 25.765 11.564 22.058 1.00 21.37 C ATOM 1171 HG1 THR A 120 27.679 13.275 22.274 1.00 0.00 H ATOM 1172 H THR A 120 27.807 11.525 25.627 1.00 0.00 H ATOM 1173 N PRO A 121 23.942 10.296 24.950 1.00 21.85 N ATOM 1174 CA PRO A 121 23.321 8.980 25.108 1.00 21.95 C ATOM 1175 C PRO A 121 23.415 8.155 23.816 1.00 22.32 C ATOM 1176 O PRO A 121 23.420 8.741 22.732 1.00 22.24 O ATOM 1177 CB PRO A 121 21.852 9.280 25.431 1.00 21.60 C ATOM 1178 CG PRO A 121 21.693 10.754 25.429 1.00 21.66 C ATOM 1179 CD PRO A 121 22.963 11.397 24.990 1.00 21.75 C ATOM 1180 N PRO A 122 23.507 6.813 23.932 1.00 22.59 N ATOM 1181 CA PRO A 122 23.566 5.982 22.740 1.00 22.46 C ATOM 1182 C PRO A 122 22.157 5.806 22.159 1.00 21.18 C ATOM 1183 O PRO A 122 21.164 6.048 22.857 1.00 21.14 O ATOM 1184 CB PRO A 122 24.105 4.662 23.287 1.00 23.07 C ATOM 1185 CG PRO A 122 23.458 4.559 24.624 1.00 23.76 C ATOM 1186 CD PRO A 122 23.365 5.983 25.145 1.00 23.68 C ATOM 1187 N CYS A 123 22.073 5.372 20.909 1.00 21.03 N ATOM 1188 CA CYS A 123 20.773 5.175 20.261 1.00 21.70 C ATOM 1189 C CYS A 123 20.013 3.979 20.865 1.00 24.75 C ATOM 1190 O CYS A 123 18.780 3.895 20.831 1.00 29.23 O ATOM 1191 CB CYS A 123 20.933 5.091 18.729 1.00 19.18 C ATOM 1192 SG CYS A 123 21.232 6.705 17.964 1.00 17.36 S ATOM 1193 OXT CYS A 123 20.590 3.097 21.498 1.00 26.74 O ATOM 1194 H CYS A 123 22.944 5.168 20.379 1.00 0.00 H TER 1195 CYS A 123 HETATM 1196 CA CA A 1 19.264 16.616 15.625 1.00 32.73 CA HETATM 1197 O HOH 2 13.015 14.272 4.752 1.00 24.06 O HETATM 1198 O HOH 3 21.939 13.296 17.061 1.00 19.32 O HETATM 1199 O HOH 4 2.919 2.475 12.760 1.00 18.93 O HETATM 1200 O HOH 5 22.027 12.084 0.492 1.00 40.67 O HETATM 1201 O HOH 6 9.010 28.200 21.120 1.00 30.79 O HETATM 1202 O HOH 7 11.005 21.093 29.751 1.00 7.69 O HETATM 1203 O HOH 8 27.317 8.052 22.901 1.00 40.30 O HETATM 1204 O HOH 9 13.883 22.441 32.568 1.00 34.32 O HETATM 1205 O HOH 10 19.846 6.091 25.069 1.00 30.41 O HETATM 1206 O HOH 11 1.848 4.513 10.173 1.00 20.62 O HETATM 1207 O HOH 12 20.893 10.737 12.190 1.00 20.42 O HETATM 1208 O HOH 13 16.691 13.580 12.750 1.00 32.42 O HETATM 1209 O HOH 14 9.952 29.403 30.357 1.00 16.45 O HETATM 1210 O HOH 15 17.110 14.748 29.922 1.00 20.39 O HETATM 1211 O HOH 16 0.899 14.567 1.729 1.00 11.18 O HETATM 1212 O HOH 17 7.026 -0.510 0.429 1.00 20.83 O HETATM 1213 O HOH 18 6.403 15.889 29.022 1.00 13.08 O HETATM 1214 O HOH 19 19.727 24.987 30.709 1.00 26.07 O HETATM 1215 O HOH 20 4.406 23.569 28.028 1.00 17.29 O HETATM 1216 O HOH 21 3.930 1.706 8.305 1.00 14.12 O HETATM 1217 O HOH 22 22.026 5.893 2.801 1.00 27.88 O HETATM 1218 O HOH 23 5.874 15.194 -1.141 1.00 33.42 O HETATM 1219 O HOH 24 2.044 16.608 27.588 1.00 30.53 O HETATM 1220 O HOH 25 13.138 6.694 -2.250 1.00 10.24 O HETATM 1221 O HOH 26 11.964 10.326 26.700 1.00 34.93 O HETATM 1222 O HOH 27 20.770 5.044 14.508 1.00 17.32 O HETATM 1223 O HOH 28 -5.501 9.404 3.659 1.00 9.55 O HETATM 1224 O HOH 29 19.185 21.746 18.975 1.00 18.90 O HETATM 1225 O HOH 30 5.968 8.676 19.473 1.00 12.59 O HETATM 1226 O HOH 31 28.324 21.854 23.949 1.00 23.41 O HETATM 1227 O HOH 32 23.672 5.385 9.650 1.00 24.42 O HETATM 1228 O HOH 33 23.971 19.780 20.583 1.00 29.87 O HETATM 1229 O HOH 34 -5.629 10.002 7.686 1.00 28.75 O HETATM 1230 O HOH 35 6.544 19.187 22.675 1.00 10.82 O HETATM 1231 O HOH 36 16.411 8.134 22.245 1.00 17.58 O HETATM 1232 O HOH 37 9.510 18.698 26.818 1.00 13.24 O HETATM 1233 O HOH 38 -0.393 4.053 13.709 1.00 33.99 O HETATM 1234 O HOH 39 5.023 4.594 6.676 1.00 24.93 O HETATM 1235 O HOH 40 4.646 1.618 -4.227 1.00 40.43 O HETATM 1236 O HOH 41 16.952 27.658 33.087 1.00 34.95 O HETATM 1237 O HOH 42 29.067 10.350 25.959 1.00 35.51 O HETATM 1238 O HOH 43 10.932 14.720 6.291 1.00 15.25 O HETATM 1239 O HOH 44 9.425 14.420 3.262 1.00 28.42 O HETATM 1240 O HOH 45 26.093 18.061 32.674 1.00 19.24 O HETATM 1241 O HOH 46 14.083 18.885 31.896 1.00 24.51 O HETATM 1242 O HOH 47 21.802 21.582 29.004 1.00 17.65 O HETATM 1243 O HOH 48 18.505 22.833 31.435 1.00 23.51 O HETATM 1244 O HOH 49 5.604 6.005 13.440 1.00 20.64 O HETATM 1245 O HOH 50 3.309 23.396 24.867 1.00 23.22 O HETATM 1246 O HOH 51 13.869 31.123 22.400 1.00 17.50 O HETATM 1247 O HOH 52 3.915 2.174 -1.650 1.00 21.77 O HETATM 1248 O HOH 53 11.032 10.568 18.213 1.00 9.34 O HETATM 1249 O HOH 54 13.198 4.902 -6.781 1.00 34.89 O HETATM 1250 O HOH 55 17.145 28.450 28.566 1.00 24.47 O HETATM 1251 O HOH 56 0.999 3.492 5.976 1.00 17.34 O HETATM 1252 O HOH 57 24.410 5.439 19.393 1.00 27.60 O HETATM 1253 O HOH 58 0.908 -1.191 2.155 1.00 20.57 O HETATM 1254 O HOH 59 22.769 19.290 28.134 1.00 18.94 O HETATM 1255 O HOH 60 -0.464 16.558 24.965 1.00 33.12 O HETATM 1256 O HOH 61 23.898 11.898 7.755 1.00 37.44 O HETATM 1257 O HOH 62 18.963 0.070 10.040 1.00 13.26 O HETATM 1258 O HOH 63 5.546 9.630 27.055 1.00 32.41 O HETATM 1259 O HOH 64 -2.571 21.794 14.740 1.00 33.34 O HETATM 1260 O HOH 65 20.067 17.637 30.419 1.00 15.88 O HETATM 1261 O HOH 66 8.028 8.141 20.887 1.00 16.26 O HETATM 1262 O HOH 67 0.258 21.812 9.381 1.00 39.45 O HETATM 1263 O HOH 68 24.463 -0.957 5.555 1.00 32.01 O HETATM 1264 O HOH 69 10.904 11.630 24.543 1.00 10.64 O HETATM 1265 O HOH 70 11.375 9.266 15.633 1.00 6.57 O HETATM 1266 O HOH 71 29.870 20.787 27.188 1.00 30.40 O HETATM 1267 O HOH 72 27.527 7.907 26.652 1.00 36.99 O HETATM 1268 O HOH 73 16.098 -0.658 10.876 1.00 7.52 O HETATM 1269 O HOH 74 27.614 20.810 21.113 1.00 47.99 O HETATM 1270 O HOH 75 10.333 16.983 29.964 1.00 17.03 O HETATM 1271 O HOH 76 0.764 11.921 20.815 1.00 17.67 O HETATM 1272 O HOH 77 15.223 5.733 18.082 1.00 14.26 O HETATM 1273 O HOH 78 0.460 4.760 8.191 1.00 13.99 O HETATM 1274 O HOH 79 15.001 10.108 -2.569 1.00 31.91 O HETATM 1275 O HOH 80 0.640 3.759 2.284 1.00 15.74 O HETATM 1276 O HOH 81 6.728 2.868 -8.702 1.00 35.41 O HETATM 1277 O HOH 82 14.815 16.611 -1.305 1.00 39.28 O HETATM 1278 O HOH 83 26.482 17.945 16.795 1.00 41.16 O HETATM 1279 O HOH 84 3.008 30.656 29.429 1.00 42.97 O HETATM 1280 O HOH 85 -3.229 6.336 11.586 1.00 34.12 O HETATM 1281 O HOH 86 11.438 22.994 31.751 1.00 21.48 O HETATM 1282 O HOH 87 8.223 10.692 25.357 1.00 16.40 O HETATM 1283 O HOH 88 30.156 18.676 28.964 1.00 23.02 O HETATM 1284 O HOH 89 1.901 4.359 -0.082 1.00 11.95 O HETATM 1285 O HOH 90 -3.915 10.962 16.671 1.00 31.93 O HETATM 1286 O HOH 91 19.097 3.020 16.561 1.00 10.94 O HETATM 1287 O HOH 92 17.531 11.563 31.453 1.00 25.99 O HETATM 1288 O HOH 93 26.121 -4.228 10.027 1.00 18.01 O HETATM 1289 O HOH 94 7.382 23.804 30.643 1.00 30.14 O HETATM 1290 O HOH 95 11.646 27.263 33.442 1.00 21.94 O HETATM 1291 O HOH 96 -0.929 23.191 11.627 1.00 35.90 O HETATM 1292 O HOH 97 1.574 9.079 21.345 1.00 17.11 O HETATM 1293 O HOH 98 21.076 11.725 -3.969 1.00 45.61 O HETATM 1294 O HOH 99 20.573 19.912 17.057 1.00 26.78 O HETATM 1295 O HOH 100 10.461 0.722 -2.835 1.00 14.10 O HETATM 1296 O HOH 101 20.973 10.726 18.325 1.00 19.39 O HETATM 1297 O HOH 102 13.718 9.608 29.038 1.00 30.49 O HETATM 1298 O HOH 103 8.988 1.699 -5.589 1.00 31.74 O HETATM 1299 O HOH 104 13.978 14.612 30.458 1.00 9.46 O HETATM 1300 O HOH 105 24.507 15.991 31.587 1.00 15.18 O HETATM 1301 O HOH 106 16.359 6.024 20.453 1.00 13.11 O HETATM 1302 O HOH 107 2.045 29.320 27.472 1.00 27.57 O HETATM 1303 O HOH 108 20.892 -2.751 5.742 1.00 17.65 O HETATM 1304 O HOH 109 -3.632 13.809 21.797 1.00 44.91 O HETATM 1305 O HOH 110 4.168 24.356 30.774 1.00 39.55 O HETATM 1306 O HOH 111 17.265 3.017 -1.729 1.00 31.40 O HETATM 1307 O HOH 112 8.342 9.849 -6.094 1.00 14.75 O HETATM 1308 O HOH 113 5.074 26.268 25.944 1.00 30.43 O HETATM 1309 O HOH 114 7.661 30.332 29.474 1.00 17.26 O HETATM 1310 O HOH 115 9.142 8.592 26.746 1.00 40.15 O HETATM 1311 O HOH 116 18.334 14.739 32.714 1.00 30.47 O HETATM 1312 O HOH 117 21.892 9.602 15.730 1.00 23.18 O HETATM 1313 O HOH 118 -0.907 1.699 2.655 1.00 27.79 O HETATM 1314 O HOH 119 -0.817 12.612 22.803 1.00 30.58 O HETATM 1315 O HOH 120 21.939 2.945 12.735 1.00 27.27 O HETATM 1316 O HOH 121 3.910 16.456 29.302 1.00 34.09 O HETATM 1317 O HOH 122 6.713 -0.292 -2.332 1.00 32.57 O HETATM 1318 O HOH 123 11.615 9.731 22.721 1.00 14.11 O HETATM 1319 O HOH 124 23.420 10.209 19.364 1.00 22.47 O HETATM 1320 O HOH 125 13.988 8.509 23.289 1.00 14.87 O HETATM 1321 O HOH 126 24.979 4.724 7.057 1.00 31.02 O HETATM 1322 O HOH 127 1.541 5.114 15.779 1.00 36.15 O HETATM 1323 O HOH 128 13.816 3.427 18.884 1.00 30.84 O HETATM 1324 O HOH 129 6.794 26.305 30.573 1.00 36.83 O HETATM 1325 O HOH 130 25.339 7.613 28.082 1.00 28.04 O HETATM 1326 O HOH 131 8.210 21.984 32.490 1.00 28.59 O HETATM 1327 O HOH 132 7.853 5.806 21.951 1.00 40.28 O HETATM 1328 O HOH 133 2.962 17.550 31.518 1.00 28.12 O HETATM 1329 O HOH 134 29.085 20.888 32.708 1.00 28.20 O HETATM 1330 O HOH 135 10.243 7.814 23.980 1.00 27.29 O HETATM 1331 O HOH 136 14.567 4.216 -2.389 1.00 14.00 O HETATM 1332 O HOH 137 2.998 25.242 26.896 1.00 32.10 O HETATM 1333 O HOH 138 7.340 14.710 31.312 1.00 24.82 O HETATM 1334 O HOH 139 3.835 -0.255 12.253 1.00 17.70 O HETATM 1335 O HOH 140 18.099 27.172 30.524 1.00 20.58 O HETATM 1336 O HOH 141 17.172 6.399 24.116 1.00 24.70 O HETATM 1337 O HOH 142 4.167 5.799 15.652 1.00 24.18 O HETATM 1338 O HOH 143 12.078 30.118 31.924 1.00 47.98 O HETATM 1339 O HOH 144 11.337 19.382 31.503 1.00 23.10 O HETATM 1340 O HOH 145 21.937 25.651 32.473 1.00 35.82 O HETATM 1341 O HOH 146 22.523 7.062 14.893 1.00 25.94 O HETATM 1342 O HOH 147 5.979 13.771 -3.079 1.00 23.64 O HETATM 1343 O HOH 148 29.942 9.273 22.603 1.00 35.86 O HETATM 1344 O HOH 149 4.456 6.609 18.346 1.00 19.75 O HETATM 1345 O HOH 150 9.708 15.410 32.116 1.00 35.45 O HETATM 1346 O HOH 151 11.559 6.367 19.517 1.00 15.66 O HETATM 1347 O HOH 152 10.468 8.829 20.227 1.00 11.60 O HETATM 1348 O HOH 153 11.498 1.461 -4.767 1.00 35.24 O HETATM 1349 O HOH 154 3.504 26.725 28.929 1.00 39.36 O HETATM 1350 O HOH 155 24.263 4.076 27.826 1.00 45.31 O HETATM 1351 O HOH 156 21.346 13.185 2.765 1.00 39.35 O HETATM 1352 O HOH 157 14.098 3.325 -4.996 1.00 35.30 O HETATM 1353 O HOH 158 20.340 6.535 27.705 1.00 22.75 O HETATM 1354 O HOH 159 4.501 -0.027 15.222 1.00 32.64 O HETATM 1355 O HOH 160 9.754 19.825 33.764 1.00 38.20 O HETATM 1356 O HOH 161 22.211 28.305 32.132 1.00 25.66 O HETATM 1357 O HOH 162 13.449 5.848 21.434 1.00 44.45 O HETATM 1358 O HOH 163 25.584 8.240 30.711 1.00 35.55 O HETATM 1359 O HOH 164 23.998 29.976 31.215 1.00 17.65 O HETATM 1360 N1 U A 8 14.209 20.013 12.566 1.00 -0.26 N HETATM 1361 C2 U A 8 13.859 19.228 13.594 1.00 0.04 C HETATM 1362 C3 U A 8 14.435 18.051 13.437 1.00 -0.03 C HETATM 1363 C4 U A 8 15.159 18.071 12.317 1.00 -0.04 C HETATM 1364 C5 U A 8 15.921 17.133 11.732 1.00 -0.05 C HETATM 1365 C6 U A 8 16.603 17.399 10.542 1.00 0.07 C HETATM 1366 C7 U A 8 16.460 18.669 9.979 1.00 -0.05 C HETATM 1367 C8 U A 8 15.653 19.610 10.630 1.00 -0.05 C HETATM 1368 C9 U A 8 15.025 19.298 11.778 1.00 0.05 C HETATM 1369 H3 U A 8 15.533 20.600 10.205 1.00 0.05 H HETATM 1370 H2 U A 8 16.965 18.922 9.054 1.00 0.05 H HETATM 1371 O12 U A 8 17.381 16.441 9.937 1.00 -0.33 O HETATM 1372 C24 U A 8 18.594 16.086 10.651 1.00 0.07 C HETATM 1373 C25 U A 8 19.184 14.906 9.899 1.00 -0.01 C HETATM 1374 C30 U A 8 19.812 13.972 10.929 1.00 0.02 C HETATM 1375 P26 U A 8 21.294 14.693 11.805 1.00 0.06 P HETATM 1376 O27 U A 8 21.884 13.399 12.178 1.00 -0.56 O HETATM 1377 O28 U A 8 21.902 15.445 10.691 1.00 -0.56 O HETATM 1378 O29 U A 8 20.576 15.447 12.848 1.00 -0.56 O HETATM 1379 H24 U A 8 20.128 13.053 10.415 1.00 0.05 H HETATM 1380 H25 U A 8 19.050 13.727 11.683 1.00 0.05 H HETATM 1381 H22 U A 8 19.951 15.257 9.193 1.00 0.03 H HETATM 1382 H23 U A 8 18.392 14.378 9.348 1.00 0.03 H HETATM 1383 H20 U A 8 18.360 15.802 11.687 1.00 0.06 H HETATM 1384 H21 U A 8 19.299 16.930 10.653 1.00 0.06 H HETATM 1385 H1 U A 8 16.008 16.154 12.190 1.00 0.04 H HETATM 1386 C11 U A 8 14.301 16.845 14.388 1.00 0.05 C HETATM 1387 C21 U A 8 15.659 16.482 14.996 1.00 0.18 C HETATM 1388 O22 U A 8 16.615 17.245 14.939 1.00 -0.40 O HETATM 1389 N23 U A 8 15.714 15.307 15.574 1.00 -0.30 N HETATM 1390 H18 U A 8 16.566 14.996 15.995 1.00 0.18 H HETATM 1391 H19 U A 8 14.904 14.721 15.594 1.00 0.18 H HETATM 1392 H6 U A 8 13.915 15.982 13.825 1.00 0.06 H HETATM 1393 H7 U A 8 13.600 17.099 15.197 1.00 0.06 H HETATM 1394 C10 U A 8 12.954 19.601 14.754 1.00 -0.00 C HETATM 1395 C20 U A 8 11.615 18.941 14.433 1.00 -0.05 C HETATM 1396 H15 U A 8 10.895 19.165 15.234 1.00 0.03 H HETATM 1397 H16 U A 8 11.752 17.852 14.357 1.00 0.03 H HETATM 1398 H17 U A 8 11.234 19.331 13.477 1.00 0.03 H HETATM 1399 H4 U A 8 12.841 20.693 14.822 1.00 0.04 H HETATM 1400 H5 U A 8 13.359 19.215 15.701 1.00 0.04 H HETATM 1401 C13 U A 8 13.815 21.407 12.322 1.00 0.08 C HETATM 1402 C17 U A 8 12.824 21.505 11.305 1.00 -0.02 C HETATM 1403 C16 U A 8 12.606 22.776 10.750 1.00 -0.06 C HETATM 1404 C15 U A 8 11.656 22.980 9.750 1.00 -0.07 C HETATM 1405 C14 U A 8 10.899 21.915 9.289 1.00 -0.07 C HETATM 1406 C19 U A 8 11.095 20.643 9.823 1.00 -0.07 C HETATM 1407 C18 U A 8 12.041 20.434 10.828 1.00 -0.06 C HETATM 1408 H13 U A 8 12.174 19.442 11.244 1.00 0.06 H HETATM 1409 H14 U A 8 10.508 19.809 9.455 1.00 0.06 H HETATM 1410 H10 U A 8 10.156 22.071 8.515 1.00 0.06 H HETATM 1411 H11 U A 8 11.510 23.970 9.334 1.00 0.06 H HETATM 1412 H12 U A 8 13.189 23.617 11.107 1.00 0.06 H HETATM 1413 H8 U A 8 14.702 21.979 12.011 1.00 0.08 H HETATM 1414 H9 U A 8 13.413 21.832 13.254 1.00 0.08 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 238 237 1141 CONECT 243 242 1196 CONECT 259 258 402 CONECT 264 263 1196 CONECT 278 277 1196 CONECT 395 394 914 CONECT 402 259 401 CONECT 439 437 1196 CONECT 446 445 1192 CONECT 453 452 847 CONECT 542 541 776 CONECT 723 722 830 CONECT 776 542 775 CONECT 830 723 829 CONECT 847 453 846 CONECT 914 395 913 CONECT 1141 238 1140 CONECT 1192 446 1191 CONECT 1196 243 264 278 439 CONECT 1360 1361 1368 1401 CONECT 1361 1360 1362 1394 CONECT 1362 1361 1363 1386 CONECT 1363 1362 1364 1368 CONECT 1364 1363 1365 1385 CONECT 1365 1364 1366 1371 CONECT 1366 1365 1367 1370 CONECT 1367 1366 1368 1369 CONECT 1368 1360 1363 1367 CONECT 1369 1367 CONECT 1370 1366 CONECT 1371 1365 1372 CONECT 1372 1371 1373 1383 1384 CONECT 1373 1372 1374 1381 1382 CONECT 1374 1373 1375 1379 1380 CONECT 1375 1374 1376 1377 1378 CONECT 1376 1375 CONECT 1377 1375 CONECT 1378 1375 CONECT 1379 1374 CONECT 1380 1374 CONECT 1381 1373 CONECT 1382 1373 CONECT 1383 1372 CONECT 1384 1372 CONECT 1385 1364 CONECT 1386 1362 1387 1392 1393 CONECT 1387 1386 1388 1389 CONECT 1388 1387 CONECT 1389 1387 1390 1391 CONECT 1390 1389 CONECT 1391 1389 CONECT 1392 1386 CONECT 1393 1386 CONECT 1394 1361 1395 1399 1400 CONECT 1395 1394 1396 1397 1398 CONECT 1396 1395 CONECT 1397 1395 CONECT 1398 1395 CONECT 1399 1394 CONECT 1400 1394 CONECT 1401 1360 1402 1413 1414 CONECT 1402 1401 1403 1407 CONECT 1403 1402 1404 1412 CONECT 1404 1403 1405 1411 CONECT 1405 1404 1406 1410 CONECT 1406 1405 1407 1409 CONECT 1407 1402 1406 1408 CONECT 1408 1407 CONECT 1409 1406 CONECT 1410 1405 CONECT 1411 1404 CONECT 1412 1403 CONECT 1413 1401 CONECT 1414 1401 MASTER 0 0 0 0 0 0 0 0 1413 1 78 10 END
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Structure:
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Related entries of code: 5wzw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5wzs
RCSB PDB
PDBbind
123aa, >5WZS_1|Chain... *
5wzt
RCSB PDB
PDBbind
123aa, >5WZT_1|Chain... at 100%
5wzu
RCSB PDB
PDBbind
123aa, >5WZU_1|Chain... at 100%
5wzv
RCSB PDB
PDBbind
123aa, >5WZV_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3u8d
RCSB PDB
PDBbind
U8D
Entry Information
PDB ID
5wzw
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Group IIE secretory phospholipase A2
Ligand Name
U8D
EC.Number
E.C.-.-.-.-
Resolution
1.95(Å)
Affinity (Kd/Ki/IC50)
IC50=1.23uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Sci Rep Vol. 7: pp. 10815-10815
Ligand Properties
Formula
C
2
2
H
2
8
N
2
O
5
P
Molecular Weight
431.442
Exact Mass
431.174
No. of atoms
58
No. of bonds
60
Polar Surface Area
131.53
LOGP Value
1.58 (
Computed with XLOGP3
)
3.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
CCc1c(CC(=O)N)c2c(n1Cc1ccccc1)ccc(c2)OCCCP(O)(O)O
InChI String
InChI=1S/C22H29N2O5P/c1-2-20-19(14-22(23)25)18-13-17(29-11-6-12-30(26,27)28)9-10-21(18)24(20)15-16-7-4-3-5-8-16/h3-5,7-10,13,26-28,30H,2,6,11-12,14-15H2,1H3,(H2,23,25)
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):
Q9NZK7
Entrez Gene ID
NCBI Entrez Gene ID:
30814
ASD
Information of known allosteric effects of PDB entries
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