Browse entries in the PDBbind-CN Database
HEADER 5U9I_COMPLEX COMPND 5U9I_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 150 GLU GLY VAL LYS LYS THR ILE LEU HIS GLY GLY THR GLY SEQRES 2 A 150 GLU LEU PRO ASN PHE ILE THR GLY SER ARG VAL ILE PHE SEQRES 3 A 150 HIS PHE ARG THR MET LYS CYS ASP GLU GLU ARG THR VAL SEQRES 4 A 150 ILE ASP ASP SER ARG GLN VAL GLY GLN PRO MET HIS ILE SEQRES 5 A 150 ILE ILE GLY ASN MET PHE LYS LEU GLU VAL TRP GLU ILE SEQRES 6 A 150 LEU LEU THR SER MET ARG VAL HIS GLU VAL ALA GLU PHE SEQRES 7 A 150 TRP CYS ASP THR ILE HIS THR GLY VAL TYR PRO ILE LEU SEQRES 8 A 150 SER ARG SER LEU ARG GLN MET ALA GLN GLY LYS ASP PRO SEQRES 9 A 150 THR GLU TRP HIS VAL HIS THR CYS GLY LEU ALA ASN MET SEQRES 10 A 150 PHE ALA TYR HIS THR LEU GLY TYR GLU ASP LEU ASP GLU SEQRES 11 A 150 LEU GLN LYS GLU PRO GLN PRO LEU VAL PHE VAL ILE GLU SEQRES 12 A 150 LEU LEU GLN VAL ASP ALA PRO HET FAR A 151 41 ATOM 1 N GLU A 10 -3.241 28.857 5.689 1.00 71.85 N ATOM 2 CA GLU A 10 -4.546 29.142 6.290 1.00 81.50 C ATOM 3 C GLU A 10 -5.381 27.883 6.463 1.00 73.74 C ATOM 4 O GLU A 10 -5.102 26.858 5.861 1.00 69.09 O ATOM 5 CB GLU A 10 -5.320 30.147 5.447 1.00 93.34 C ATOM 6 CG GLU A 10 -4.991 31.599 5.746 1.00106.12 C ATOM 7 CD GLU A 10 -5.276 32.499 4.552 1.00106.21 C ATOM 8 OE1 GLU A 10 -6.291 32.253 3.864 1.00103.14 O ATOM 9 OE2 GLU A 10 -4.484 33.434 4.287 1.00 96.45 O ATOM 10 HN3 GLU A 10 -3.379 28.427 4.752 1.00 0.00 H ATOM 11 HN2 GLU A 10 -2.715 28.200 6.300 1.00 0.00 H ATOM 12 HN1 GLU A 10 -2.706 29.743 5.590 1.00 0.00 H ATOM 13 N GLY A 11 -6.433 27.982 7.273 1.00 76.57 N ATOM 14 CA GLY A 11 -7.125 26.808 7.771 1.00 72.72 C ATOM 15 C GLY A 11 -6.456 26.157 8.964 1.00 74.19 C ATOM 16 O GLY A 11 -6.815 25.030 9.324 1.00 75.02 O ATOM 17 H GLY A 11 -6.767 28.925 7.556 1.00 0.00 H ATOM 18 N VAL A 12 -5.501 26.836 9.596 1.00 72.45 N ATOM 19 CA VAL A 12 -4.644 26.233 10.612 1.00 73.58 C ATOM 20 C VAL A 12 -4.135 27.292 11.593 1.00 73.21 C ATOM 21 O VAL A 12 -3.241 28.078 11.255 1.00 71.93 O ATOM 22 CB VAL A 12 -3.465 25.514 9.932 1.00 66.02 C ATOM 23 CG1 VAL A 12 -2.446 25.049 10.961 1.00 63.01 C ATOM 24 CG2 VAL A 12 -3.952 24.333 9.080 1.00 67.26 C ATOM 25 H VAL A 12 -5.360 27.838 9.356 1.00 0.00 H ATOM 26 N LYS A 13 -4.678 27.325 12.813 1.00 78.84 N ATOM 27 CA LYS A 13 -4.139 28.189 13.862 1.00 73.85 C ATOM 28 C LYS A 13 -3.160 27.385 14.707 1.00 66.32 C ATOM 29 O LYS A 13 -3.412 26.218 15.024 1.00 69.12 O ATOM 30 CB LYS A 13 -5.251 28.763 14.748 1.00 76.59 C ATOM 31 CG LYS A 13 -6.427 29.368 14.002 1.00 91.98 C ATOM 32 CD LYS A 13 -7.543 29.792 14.949 1.00122.05 C ATOM 33 CE LYS A 13 -8.511 30.767 14.275 1.00117.51 C ATOM 34 NZ LYS A 13 -9.457 31.414 15.239 1.00109.55 N ATOM 35 HZ1 LYS A 13 -10.024 30.681 15.711 1.00 0.00 H ATOM 36 HZ2 LYS A 13 -8.916 31.946 15.950 1.00 0.00 H ATOM 37 HZ3 LYS A 13 -10.086 32.062 14.723 1.00 0.00 H ATOM 38 H LYS A 13 -5.501 26.724 13.021 1.00 0.00 H ATOM 39 N LYS A 14 -2.034 28.004 15.054 1.00 64.67 N ATOM 40 CA LYS A 14 -1.033 27.385 15.914 1.00 56.68 C ATOM 41 C LYS A 14 -0.922 28.111 17.253 1.00 65.56 C ATOM 42 O LYS A 14 -0.986 29.342 17.320 1.00 56.02 O ATOM 43 CB LYS A 14 0.343 27.377 15.255 1.00 47.37 C ATOM 44 CG LYS A 14 1.445 26.818 16.149 1.00 45.98 C ATOM 45 CD LYS A 14 2.813 26.903 15.496 1.00 46.43 C ATOM 46 CE LYS A 14 3.898 26.310 16.384 1.00 47.70 C ATOM 47 NZ LYS A 14 5.222 26.372 15.682 1.00 44.22 N ATOM 48 HZ1 LYS A 14 5.169 25.830 14.796 1.00 0.00 H ATOM 49 HZ2 LYS A 14 5.455 27.363 15.470 1.00 0.00 H ATOM 50 HZ3 LYS A 14 5.957 25.965 16.295 1.00 0.00 H ATOM 51 H LYS A 14 -1.862 28.966 14.698 1.00 0.00 H ATOM 52 N THR A 15 -0.690 27.330 18.305 1.00 68.75 N ATOM 53 CA THR A 15 -0.532 27.817 19.668 1.00 58.92 C ATOM 54 C THR A 15 0.673 27.107 20.266 1.00 56.70 C ATOM 55 O THR A 15 0.687 25.877 20.339 1.00 57.19 O ATOM 56 CB THR A 15 -1.796 27.520 20.476 1.00 63.96 C ATOM 57 OG1 THR A 15 -2.901 28.217 19.898 1.00 70.58 O ATOM 58 CG2 THR A 15 -1.648 27.934 21.925 1.00 72.64 C ATOM 59 HG1 THR A 15 -3.720 28.026 20.420 1.00 0.00 H ATOM 60 H THR A 15 -0.617 26.305 18.143 1.00 0.00 H ATOM 61 N ILE A 16 1.688 27.849 20.687 1.00 56.11 N ATOM 62 CA ILE A 16 2.789 27.208 21.398 1.00 60.76 C ATOM 63 C ILE A 16 2.395 27.042 22.861 1.00 63.11 C ATOM 64 O ILE A 16 2.041 28.009 23.540 1.00 70.47 O ATOM 65 CB ILE A 16 4.101 27.989 21.267 1.00 59.48 C ATOM 66 CG1 ILE A 16 4.495 28.088 19.800 1.00 59.85 C ATOM 67 CG2 ILE A 16 5.208 27.276 22.071 1.00 63.22 C ATOM 68 CD1 ILE A 16 5.842 28.764 19.551 1.00 67.11 C ATOM 69 H ILE A 16 1.699 28.874 20.513 1.00 0.00 H ATOM 70 N LEU A 17 2.438 25.804 23.336 1.00 65.29 N ATOM 71 CA LEU A 17 2.165 25.477 24.720 1.00 60.96 C ATOM 72 C LEU A 17 3.423 25.348 25.546 1.00 53.38 C ATOM 73 O LEU A 17 3.340 25.424 26.757 1.00 51.28 O ATOM 74 CB LEU A 17 1.397 24.150 24.824 1.00 48.64 C ATOM 75 CG LEU A 17 0.132 24.026 23.998 1.00 58.06 C ATOM 76 CD1 LEU A 17 -0.622 22.800 24.487 1.00 63.13 C ATOM 77 CD2 LEU A 17 -0.705 25.312 24.066 1.00 51.02 C ATOM 78 H LEU A 17 2.679 25.031 22.683 1.00 0.00 H ATOM 79 N HIS A 18 4.572 25.101 24.939 1.00 57.96 N ATOM 80 CA HIS A 18 5.801 25.024 25.713 1.00 46.37 C ATOM 81 C HIS A 18 6.931 25.358 24.762 1.00 52.30 C ATOM 82 O HIS A 18 7.120 24.665 23.755 1.00 61.62 O ATOM 83 CB HIS A 18 5.989 23.652 26.365 1.00 46.80 C ATOM 84 CG HIS A 18 7.234 23.555 27.195 1.00 55.62 C ATOM 85 ND1 HIS A 18 7.390 24.234 28.394 1.00 48.54 N ATOM 86 CD2 HIS A 18 8.399 22.896 26.976 1.00 51.50 C ATOM 87 CE1 HIS A 18 8.598 23.992 28.872 1.00 49.79 C ATOM 88 NE2 HIS A 18 9.226 23.176 28.040 1.00 56.82 N ATOM 89 H HIS A 18 4.597 24.962 23.909 1.00 0.00 H ATOM 90 N GLY A 19 7.623 26.456 25.044 1.00 51.44 N ATOM 91 CA GLY A 19 8.628 26.968 24.141 1.00 48.84 C ATOM 92 C GLY A 19 9.843 26.071 24.070 1.00 54.35 C ATOM 93 O GLY A 19 10.149 25.304 24.991 1.00 56.98 O ATOM 94 H GLY A 19 7.437 26.959 25.935 1.00 0.00 H ATOM 95 N GLY A 20 10.536 26.177 22.932 1.00 58.90 N ATOM 96 CA GLY A 20 11.606 25.273 22.592 1.00 50.43 C ATOM 97 C GLY A 20 12.993 25.818 22.899 1.00 63.49 C ATOM 98 O GLY A 20 13.178 26.986 23.237 1.00 58.11 O ATOM 99 H GLY A 20 10.294 26.940 22.268 1.00 0.00 H ATOM 100 N THR A 21 13.971 24.920 22.742 1.00 69.28 N ATOM 101 CA THR A 21 15.391 25.142 23.028 1.00 61.61 C ATOM 102 C THR A 21 16.155 25.425 21.730 1.00 75.30 C ATOM 103 O THR A 21 16.685 24.509 21.093 1.00 77.25 O ATOM 104 CB THR A 21 15.963 23.903 23.698 1.00 70.98 C ATOM 105 OG1 THR A 21 14.958 23.299 24.523 1.00 87.55 O ATOM 106 CG2 THR A 21 17.183 24.243 24.534 1.00 86.40 C ATOM 107 HG1 THR A 21 15.331 22.492 24.959 1.00 0.00 H ATOM 108 H THR A 21 13.700 23.981 22.386 1.00 0.00 H ATOM 109 N GLY A 22 16.219 26.704 21.323 1.00 78.47 N ATOM 110 CA GLY A 22 17.159 27.100 20.293 1.00 70.29 C ATOM 111 C GLY A 22 16.485 27.864 19.190 1.00 70.75 C ATOM 112 O GLY A 22 15.366 28.367 19.348 1.00 71.37 O ATOM 113 H GLY A 22 15.590 27.414 21.750 1.00 0.00 H ATOM 114 N GLU A 23 17.193 27.954 18.063 1.00 79.01 N ATOM 115 CA GLU A 23 16.671 28.512 16.824 1.00 69.88 C ATOM 116 C GLU A 23 16.198 27.376 15.929 1.00 70.88 C ATOM 117 O GLU A 23 16.510 26.205 16.164 1.00 56.51 O ATOM 118 CB GLU A 23 17.740 29.355 16.120 1.00 75.10 C ATOM 119 CG GLU A 23 17.892 30.780 16.685 1.00 64.38 C ATOM 120 CD GLU A 23 16.643 31.634 16.447 1.00 67.03 C ATOM 121 OE1 GLU A 23 15.703 31.148 15.768 1.00 72.91 O ATOM 122 OE2 GLU A 23 16.598 32.790 16.930 1.00 65.29 O ATOM 123 H GLU A 23 18.173 27.606 18.070 1.00 0.00 H ATOM 124 N LEU A 24 15.444 27.738 14.887 1.00 74.16 N ATOM 125 CA LEU A 24 14.751 26.729 14.103 1.00 65.53 C ATOM 126 C LEU A 24 15.750 25.686 13.628 1.00 62.56 C ATOM 127 O LEU A 24 16.890 26.037 13.314 1.00 66.92 O ATOM 128 CB LEU A 24 14.035 27.341 12.907 1.00 65.39 C ATOM 129 CG LEU A 24 12.660 27.899 13.254 1.00 74.36 C ATOM 130 CD1 LEU A 24 11.752 26.746 13.697 1.00 49.85 C ATOM 131 CD2 LEU A 24 12.751 29.046 14.328 1.00 80.34 C ATOM 132 H LEU A 24 15.353 28.743 14.636 1.00 0.00 H ATOM 133 N PRO A 25 15.401 24.400 13.661 1.00 62.77 N ATOM 134 CA PRO A 25 16.340 23.385 13.172 1.00 66.60 C ATOM 135 C PRO A 25 16.542 23.504 11.673 1.00 62.13 C ATOM 136 O PRO A 25 15.963 24.375 11.017 1.00 56.69 O ATOM 137 CB PRO A 25 15.668 22.057 13.556 1.00 55.73 C ATOM 138 CG PRO A 25 14.740 22.399 14.654 1.00 61.16 C ATOM 139 CD PRO A 25 14.288 23.796 14.423 1.00 67.44 C ATOM 140 N ASN A 26 17.361 22.611 11.131 1.00 62.17 N ATOM 141 CA ASN A 26 17.608 22.558 9.701 1.00 66.36 C ATOM 142 C ASN A 26 16.658 21.531 9.083 1.00 62.68 C ATOM 143 O ASN A 26 16.991 20.360 8.873 1.00 60.82 O ATOM 144 CB ASN A 26 19.073 22.220 9.449 1.00 72.34 C ATOM 145 CG ASN A 26 19.530 22.604 8.049 1.00 66.35 C ATOM 146 OD1 ASN A 26 19.001 23.534 7.447 1.00 65.08 O ATOM 147 ND2 ASN A 26 20.518 21.885 7.529 1.00 60.41 N ATOM 148 HD22 ASN A 26 20.937 21.105 8.075 1.00 0.00 H ATOM 149 HD21 ASN A 26 20.873 22.101 6.576 1.00 0.00 H ATOM 150 H ASN A 26 17.841 21.927 11.750 1.00 0.00 H ATOM 151 N PHE A 27 15.441 21.987 8.785 1.00 58.18 N ATOM 152 CA PHE A 27 14.459 21.141 8.100 1.00 58.22 C ATOM 153 C PHE A 27 14.815 21.033 6.617 1.00 60.40 C ATOM 154 O PHE A 27 14.114 21.487 5.712 1.00 45.46 O ATOM 155 CB PHE A 27 13.058 21.672 8.321 1.00 56.71 C ATOM 156 CG PHE A 27 12.640 21.570 9.745 1.00 52.89 C ATOM 157 CD1 PHE A 27 12.603 20.347 10.353 1.00 44.12 C ATOM 158 CD2 PHE A 27 12.338 22.691 10.472 1.00 55.55 C ATOM 159 CE1 PHE A 27 12.247 20.223 11.666 1.00 56.64 C ATOM 160 CE2 PHE A 27 11.974 22.588 11.774 1.00 55.18 C ATOM 161 CZ PHE A 27 11.923 21.338 12.380 1.00 57.24 C ATOM 162 H PHE A 27 15.184 22.961 9.043 1.00 0.00 H ATOM 163 N ILE A 28 15.922 20.400 6.399 1.00 59.12 N ATOM 164 CA ILE A 28 16.423 20.128 5.075 1.00 58.49 C ATOM 165 C ILE A 28 15.756 18.860 4.551 1.00 65.49 C ATOM 166 O ILE A 28 15.344 17.979 5.318 1.00 60.82 O ATOM 167 CB ILE A 28 17.954 20.003 5.166 1.00 57.97 C ATOM 168 CG1 ILE A 28 18.609 20.229 3.832 1.00 68.64 C ATOM 169 CG2 ILE A 28 18.344 18.656 5.724 1.00 67.47 C ATOM 170 CD1 ILE A 28 20.102 20.509 3.996 1.00 77.55 C ATOM 171 H ILE A 28 16.476 20.072 7.216 1.00 0.00 H ATOM 172 N THR A 29 15.605 18.783 3.235 1.00 61.67 N ATOM 173 CA THR A 29 15.159 17.552 2.599 1.00 56.64 C ATOM 174 C THR A 29 15.952 16.366 3.134 1.00 62.00 C ATOM 175 O THR A 29 17.157 16.466 3.376 1.00 64.23 O ATOM 176 CB THR A 29 15.313 17.698 1.086 1.00 54.14 C ATOM 177 OG1 THR A 29 14.444 18.755 0.647 1.00 60.00 O ATOM 178 CG2 THR A 29 14.943 16.434 0.372 1.00 56.19 C ATOM 179 HG1 THR A 29 14.698 19.599 1.099 1.00 0.00 H ATOM 180 H THR A 29 15.809 19.617 2.648 1.00 0.00 H ATOM 181 N GLY A 30 15.257 15.254 3.384 1.00 58.51 N ATOM 182 CA GLY A 30 15.889 14.101 3.996 1.00 60.51 C ATOM 183 C GLY A 30 16.125 14.171 5.496 1.00 61.83 C ATOM 184 O GLY A 30 16.770 13.265 6.044 1.00 63.83 O ATOM 185 H GLY A 30 14.248 15.214 3.136 1.00 0.00 H ATOM 186 N SER A 31 15.634 15.210 6.183 1.00 66.74 N ATOM 187 CA SER A 31 15.721 15.286 7.649 1.00 60.04 C ATOM 188 C SER A 31 14.831 14.235 8.319 1.00 54.34 C ATOM 189 O SER A 31 13.639 14.141 8.015 1.00 58.11 O ATOM 190 CB SER A 31 15.293 16.676 8.138 1.00 47.56 C ATOM 191 OG SER A 31 16.351 17.607 8.099 1.00 62.40 O ATOM 192 HG SER A 31 16.028 18.485 8.422 1.00 0.00 H ATOM 193 H SER A 31 15.177 15.987 5.664 1.00 0.00 H ATOM 194 N ARG A 32 15.402 13.481 9.264 1.00 57.65 N ATOM 195 CA ARG A 32 14.641 12.630 10.191 1.00 61.97 C ATOM 196 C ARG A 32 14.058 13.489 11.319 1.00 60.90 C ATOM 197 O ARG A 32 14.811 14.032 12.137 1.00 53.30 O ATOM 198 CB ARG A 32 15.556 11.546 10.771 1.00 62.14 C ATOM 199 CG ARG A 32 14.869 10.343 11.434 1.00 73.02 C ATOM 200 CD ARG A 32 15.880 9.219 11.729 1.00 78.96 C ATOM 201 NE ARG A 32 15.215 7.969 12.113 1.00 95.09 N ATOM 202 CZ ARG A 32 15.306 6.795 11.475 1.00110.24 C ATOM 203 NH1 ARG A 32 14.639 5.744 11.952 1.00103.64 N ATOM 204 NH2 ARG A 32 16.056 6.642 10.384 1.00111.38 N ATOM 205 HE ARG A 32 14.615 7.997 12.962 1.00 0.00 H ATOM 206 HH12 ARG A 32 14.700 4.826 11.467 1.00 0.00 H ATOM 207 HH11 ARG A 32 14.058 5.842 12.809 1.00 0.00 H ATOM 208 HH22 ARG A 32 16.105 5.716 9.912 1.00 0.00 H ATOM 209 HH21 ARG A 32 16.592 7.448 10.004 1.00 0.00 H ATOM 210 H ARG A 32 16.438 13.497 9.348 1.00 0.00 H ATOM 211 N VAL A 33 12.728 13.610 11.363 1.00 54.28 N ATOM 212 CA VAL A 33 12.017 14.410 12.358 1.00 48.24 C ATOM 213 C VAL A 33 11.290 13.446 13.305 1.00 58.71 C ATOM 214 O VAL A 33 10.454 12.647 12.863 1.00 55.74 O ATOM 215 CB VAL A 33 11.039 15.388 11.691 1.00 52.31 C ATOM 216 CG1 VAL A 33 10.478 16.420 12.681 1.00 49.77 C ATOM 217 CG2 VAL A 33 11.715 16.107 10.529 1.00 50.42 C ATOM 218 H VAL A 33 12.166 13.106 10.648 1.00 0.00 H ATOM 219 N ILE A 34 11.616 13.511 14.604 1.00 53.79 N ATOM 220 CA ILE A 34 11.117 12.575 15.615 1.00 52.90 C ATOM 221 C ILE A 34 10.212 13.329 16.570 1.00 50.66 C ATOM 222 O ILE A 34 10.626 14.341 17.140 1.00 46.64 O ATOM 223 CB ILE A 34 12.264 11.920 16.392 1.00 52.83 C ATOM 224 CG1 ILE A 34 13.177 11.179 15.425 1.00 49.39 C ATOM 225 CG2 ILE A 34 11.699 10.963 17.453 1.00 63.80 C ATOM 226 CD1 ILE A 34 14.302 10.481 16.080 1.00 65.50 C ATOM 227 H ILE A 34 12.259 14.268 14.911 1.00 0.00 H ATOM 228 N PHE A 35 8.995 12.826 16.776 1.00 48.94 N ATOM 229 CA PHE A 35 8.017 13.611 17.514 1.00 42.86 C ATOM 230 C PHE A 35 6.941 12.720 18.115 1.00 47.64 C ATOM 231 O PHE A 35 6.701 11.598 17.655 1.00 46.20 O ATOM 232 CB PHE A 35 7.362 14.669 16.615 1.00 51.41 C ATOM 233 CG PHE A 35 6.547 14.092 15.467 1.00 42.15 C ATOM 234 CD1 PHE A 35 7.153 13.766 14.268 1.00 52.25 C ATOM 235 CD2 PHE A 35 5.174 13.900 15.607 1.00 39.57 C ATOM 236 CE1 PHE A 35 6.409 13.235 13.205 1.00 42.97 C ATOM 237 CE2 PHE A 35 4.420 13.393 14.585 1.00 45.71 C ATOM 238 CZ PHE A 35 5.053 13.064 13.355 1.00 46.08 C ATOM 239 H PHE A 35 8.747 11.883 16.413 1.00 0.00 H ATOM 240 N HIS A 36 6.286 13.256 19.148 1.00 37.97 N ATOM 241 CA HIS A 36 5.088 12.673 19.721 1.00 42.65 C ATOM 242 C HIS A 36 3.922 13.515 19.275 1.00 30.55 C ATOM 243 O HIS A 36 4.066 14.693 18.965 1.00 34.42 O ATOM 244 CB HIS A 36 5.106 12.637 21.263 1.00 41.74 C ATOM 245 CG HIS A 36 5.774 11.426 21.833 1.00 44.62 C ATOM 246 ND1 HIS A 36 5.294 10.150 21.628 1.00 52.59 N ATOM 247 CD2 HIS A 36 6.867 11.294 22.621 1.00 45.85 C ATOM 248 CE1 HIS A 36 6.077 9.282 22.243 1.00 53.04 C ATOM 249 NE2 HIS A 36 7.036 9.951 22.857 1.00 47.40 N ATOM 250 H HIS A 36 6.654 14.136 19.563 1.00 0.00 H ATOM 251 N PHE A 37 2.759 12.896 19.241 1.00 35.72 N ATOM 252 CA PHE A 37 1.582 13.630 18.854 1.00 34.29 C ATOM 253 C PHE A 37 0.386 13.034 19.568 1.00 36.52 C ATOM 254 O PHE A 37 0.360 11.844 19.907 1.00 35.43 O ATOM 255 CB PHE A 37 1.385 13.616 17.335 1.00 40.89 C ATOM 256 CG PHE A 37 0.873 12.316 16.779 1.00 44.91 C ATOM 257 CD1 PHE A 37 1.741 11.270 16.496 1.00 40.79 C ATOM 258 CD2 PHE A 37 -0.475 12.173 16.447 1.00 45.09 C ATOM 259 CE1 PHE A 37 1.261 10.095 15.969 1.00 32.36 C ATOM 260 CE2 PHE A 37 -0.959 11.001 15.896 1.00 29.50 C ATOM 261 CZ PHE A 37 -0.092 9.953 15.687 1.00 24.73 C ATOM 262 H PHE A 37 2.692 11.889 19.491 1.00 0.00 H ATOM 263 N ARG A 38 -0.595 13.890 19.798 1.00 34.42 N ATOM 264 CA ARG A 38 -1.925 13.503 20.226 1.00 41.99 C ATOM 265 C ARG A 38 -2.917 14.103 19.236 1.00 38.63 C ATOM 266 O ARG A 38 -2.825 15.291 18.928 1.00 33.26 O ATOM 267 CB ARG A 38 -2.195 14.052 21.623 1.00 41.70 C ATOM 268 CG ARG A 38 -3.416 13.536 22.343 1.00 54.32 C ATOM 269 CD ARG A 38 -3.231 13.847 23.855 1.00 52.36 C ATOM 270 NE ARG A 38 -4.335 14.552 24.492 1.00 61.89 N ATOM 271 CZ ARG A 38 -4.395 14.760 25.807 1.00 68.04 C ATOM 272 NH1 ARG A 38 -3.409 14.320 26.584 1.00 67.01 N ATOM 273 NH2 ARG A 38 -5.433 15.387 26.343 1.00 60.45 N ATOM 274 HE ARG A 38 -5.109 14.908 23.896 1.00 0.00 H ATOM 275 HH12 ARG A 38 -3.447 14.477 27.611 1.00 0.00 H ATOM 276 HH11 ARG A 38 -2.600 13.819 26.164 1.00 0.00 H ATOM 277 HH22 ARG A 38 -5.471 15.545 27.370 1.00 0.00 H ATOM 278 HH21 ARG A 38 -6.209 15.721 25.736 1.00 0.00 H ATOM 279 H ARG A 38 -0.401 14.903 19.664 1.00 0.00 H ATOM 280 N THR A 39 -3.890 13.314 18.784 1.00 34.00 N ATOM 281 CA THR A 39 -4.952 13.828 17.920 1.00 39.64 C ATOM 282 C THR A 39 -6.287 13.832 18.645 1.00 33.23 C ATOM 283 O THR A 39 -6.708 12.810 19.202 1.00 33.02 O ATOM 284 CB THR A 39 -5.117 12.991 16.644 1.00 36.25 C ATOM 285 OG1 THR A 39 -3.832 12.748 16.052 1.00 40.24 O ATOM 286 CG2 THR A 39 -6.047 13.711 15.646 1.00 41.20 C ATOM 287 HG1 THR A 39 -3.945 12.208 15.230 1.00 0.00 H ATOM 288 H THR A 39 -3.895 12.309 19.052 1.00 0.00 H ATOM 289 N MET A 40 -7.003 14.950 18.522 1.00 34.88 N ATOM 290 CA MET A 40 -8.281 15.089 19.200 1.00 45.12 C ATOM 291 C MET A 40 -9.306 15.793 18.322 1.00 41.06 C ATOM 292 O MET A 40 -8.984 16.767 17.635 1.00 39.98 O ATOM 293 CB MET A 40 -8.123 15.896 20.512 1.00 38.76 C ATOM 294 CG MET A 40 -7.141 15.285 21.533 1.00 45.40 C ATOM 295 SD MET A 40 -6.660 16.535 22.745 1.00 51.36 S ATOM 296 CE MET A 40 -5.303 17.366 21.898 1.00 46.47 C ATOM 297 H MET A 40 -6.644 15.730 17.935 1.00 0.00 H ATOM 298 N LYS A 41 -10.554 15.322 18.399 1.00 43.59 N ATOM 299 CA LYS A 41 -11.687 16.128 17.971 1.00 44.74 C ATOM 300 C LYS A 41 -11.687 17.476 18.677 1.00 60.16 C ATOM 301 O LYS A 41 -11.246 17.607 19.825 1.00 49.62 O ATOM 302 CB LYS A 41 -13.013 15.443 18.295 1.00 47.61 C ATOM 303 CG LYS A 41 -13.126 13.992 17.928 1.00 52.93 C ATOM 304 CD LYS A 41 -14.586 13.668 17.667 1.00 59.59 C ATOM 305 CE LYS A 41 -14.809 12.219 17.390 1.00 55.80 C ATOM 306 NZ LYS A 41 -15.986 11.747 18.172 1.00 66.36 N ATOM 307 HZ1 LYS A 41 -15.805 11.885 19.187 1.00 0.00 H ATOM 308 HZ2 LYS A 41 -16.827 12.290 17.892 1.00 0.00 H ATOM 309 HZ3 LYS A 41 -16.145 10.737 17.982 1.00 0.00 H ATOM 310 H LYS A 41 -10.718 14.365 18.771 1.00 0.00 H ATOM 311 N CYS A 42 -12.235 18.484 17.997 1.00 64.10 N ATOM 312 CA CYS A 42 -12.678 19.690 18.676 1.00 46.33 C ATOM 313 C CYS A 42 -13.981 19.476 19.446 1.00 55.68 C ATOM 314 O CYS A 42 -14.868 20.326 19.429 1.00 59.98 O ATOM 315 CB CYS A 42 -12.809 20.810 17.656 1.00 54.45 C ATOM 316 SG CYS A 42 -11.215 21.205 16.872 1.00 61.72 S ATOM 317 H CYS A 42 -12.347 18.406 16.966 1.00 0.00 H ATOM 318 N ASP A 43 -14.116 18.316 20.089 1.00 62.03 N ATOM 319 CA ASP A 43 -15.047 18.106 21.190 1.00 61.49 C ATOM 320 C ASP A 43 -14.819 19.124 22.308 1.00 67.26 C ATOM 321 O ASP A 43 -13.744 19.724 22.438 1.00 67.89 O ATOM 322 CB ASP A 43 -14.846 16.716 21.783 1.00 52.06 C ATOM 323 CG ASP A 43 -15.810 15.722 21.263 1.00 56.28 C ATOM 324 OD1 ASP A 43 -16.778 16.155 20.595 1.00 49.38 O ATOM 325 OD2 ASP A 43 -15.611 14.503 21.533 1.00 49.05 O ATOM 326 H ASP A 43 -13.524 17.516 19.788 1.00 0.00 H ATOM 327 N GLU A 44 -15.856 19.311 23.131 1.00 70.12 N ATOM 328 CA GLU A 44 -15.656 19.943 24.428 1.00 72.52 C ATOM 329 C GLU A 44 -14.779 19.058 25.273 1.00 67.07 C ATOM 330 O GLU A 44 -13.890 19.535 25.990 1.00 59.62 O ATOM 331 CB GLU A 44 -16.998 20.163 25.120 1.00 80.21 C ATOM 332 CG GLU A 44 -16.902 20.857 26.471 1.00 82.70 C ATOM 333 CD GLU A 44 -18.098 20.550 27.365 1.00 86.74 C ATOM 334 OE1 GLU A 44 -18.532 19.367 27.415 1.00 82.06 O ATOM 335 OE2 GLU A 44 -18.603 21.497 28.013 1.00 87.58 O ATOM 336 H GLU A 44 -16.808 19.005 22.844 1.00 0.00 H ATOM 337 N GLU A 45 -15.018 17.751 25.155 1.00 62.40 N ATOM 338 CA GLU A 45 -14.254 16.704 25.803 1.00 61.86 C ATOM 339 C GLU A 45 -12.851 16.551 25.245 1.00 56.55 C ATOM 340 O GLU A 45 -12.016 15.876 25.864 1.00 49.22 O ATOM 341 CB GLU A 45 -15.008 15.401 25.628 1.00 57.81 C ATOM 342 CG GLU A 45 -16.415 15.540 26.061 1.00 67.22 C ATOM 343 CD GLU A 45 -16.674 14.736 27.296 1.00 80.53 C ATOM 344 OE1 GLU A 45 -16.437 13.509 27.221 1.00 80.46 O ATOM 345 OE2 GLU A 45 -17.088 15.322 28.333 1.00 81.77 O ATOM 346 H GLU A 45 -15.814 17.461 24.552 1.00 0.00 H ATOM 347 N ARG A 46 -12.571 17.121 24.082 1.00 59.17 N ATOM 348 CA ARG A 46 -11.275 16.898 23.457 1.00 52.35 C ATOM 349 C ARG A 46 -11.003 15.395 23.293 1.00 44.19 C ATOM 350 O ARG A 46 -9.895 14.917 23.533 1.00 47.61 O ATOM 351 CB ARG A 46 -10.163 17.573 24.280 1.00 60.98 C ATOM 352 CG ARG A 46 -10.148 19.124 24.235 1.00 56.49 C ATOM 353 CD ARG A 46 -8.720 19.678 24.073 1.00 58.59 C ATOM 354 NE ARG A 46 -8.668 20.759 23.072 1.00 56.30 N ATOM 355 CZ ARG A 46 -7.551 21.350 22.628 1.00 50.59 C ATOM 356 NH1 ARG A 46 -6.352 20.947 23.046 1.00 45.45 N ATOM 357 NH2 ARG A 46 -7.630 22.343 21.742 1.00 55.98 N ATOM 358 HE ARG A 46 -9.572 21.090 22.679 1.00 0.00 H ATOM 359 HH12 ARG A 46 -5.493 21.416 22.692 1.00 0.00 H ATOM 360 HH11 ARG A 46 -6.274 20.164 23.726 1.00 0.00 H ATOM 361 HH22 ARG A 46 -6.763 22.802 21.397 1.00 0.00 H ATOM 362 HH21 ARG A 46 -8.559 22.658 21.396 1.00 0.00 H ATOM 363 H ARG A 46 -13.276 17.727 23.616 1.00 0.00 H ATOM 364 N THR A 47 -12.028 14.635 22.886 1.00 46.18 N ATOM 365 CA THR A 47 -11.882 13.199 22.626 1.00 49.61 C ATOM 366 C THR A 47 -10.566 12.873 21.921 1.00 51.63 C ATOM 367 O THR A 47 -10.178 13.550 20.963 1.00 43.31 O ATOM 368 CB THR A 47 -13.024 12.690 21.747 1.00 53.72 C ATOM 369 OG1 THR A 47 -14.275 13.220 22.208 1.00 53.01 O ATOM 370 CG2 THR A 47 -13.064 11.166 21.764 1.00 49.41 C ATOM 371 HG1 THR A 47 -15.007 12.884 21.632 1.00 0.00 H ATOM 372 H THR A 47 -12.959 15.078 22.750 1.00 0.00 H ATOM 373 N VAL A 48 -9.898 11.804 22.385 1.00 43.83 N ATOM 374 CA VAL A 48 -8.594 11.398 21.864 1.00 48.14 C ATOM 375 C VAL A 48 -8.793 10.352 20.774 1.00 48.59 C ATOM 376 O VAL A 48 -9.438 9.321 20.992 1.00 58.73 O ATOM 377 CB VAL A 48 -7.699 10.838 22.985 1.00 35.78 C ATOM 378 CG1 VAL A 48 -6.410 10.227 22.401 1.00 42.16 C ATOM 379 CG2 VAL A 48 -7.346 11.935 23.983 1.00 44.99 C ATOM 380 H VAL A 48 -10.327 11.241 23.147 1.00 0.00 H ATOM 381 N ILE A 49 -8.183 10.576 19.620 1.00 43.14 N ATOM 382 CA ILE A 49 -8.220 9.605 18.523 1.00 41.24 C ATOM 383 C ILE A 49 -6.942 8.771 18.470 1.00 29.96 C ATOM 384 O ILE A 49 -6.959 7.537 18.518 1.00 28.39 O ATOM 385 CB ILE A 49 -8.458 10.386 17.219 1.00 42.46 C ATOM 386 CG1 ILE A 49 -9.805 11.103 17.294 1.00 40.11 C ATOM 387 CG2 ILE A 49 -8.348 9.483 16.005 1.00 46.49 C ATOM 388 CD1 ILE A 49 -9.964 12.074 16.103 1.00 50.08 C ATOM 389 H ILE A 49 -7.663 11.467 19.488 1.00 0.00 H ATOM 390 N ASP A 50 -5.814 9.441 18.489 1.00 35.63 N ATOM 391 CA ASP A 50 -4.523 8.795 18.522 1.00 30.84 C ATOM 392 C ASP A 50 -3.634 9.539 19.505 1.00 36.47 C ATOM 393 O ASP A 50 -3.618 10.778 19.527 1.00 34.60 O ATOM 394 CB ASP A 50 -3.842 8.838 17.166 1.00 34.97 C ATOM 395 CG ASP A 50 -4.550 8.003 16.116 1.00 42.21 C ATOM 396 OD1 ASP A 50 -4.892 6.836 16.416 1.00 42.82 O ATOM 397 OD2 ASP A 50 -4.755 8.526 14.991 1.00 37.65 O ATOM 398 H ASP A 50 -5.851 10.480 18.480 1.00 0.00 H ATOM 399 N ASP A 51 -2.838 8.781 20.249 1.00 40.64 N ATOM 400 CA ASP A 51 -1.857 9.344 21.160 1.00 32.64 C ATOM 401 C ASP A 51 -0.601 8.512 21.011 1.00 32.65 C ATOM 402 O ASP A 51 -0.578 7.323 21.326 1.00 38.89 O ATOM 403 CB ASP A 51 -2.376 9.343 22.599 1.00 48.39 C ATOM 404 CG ASP A 51 -1.528 10.223 23.544 1.00 47.60 C ATOM 405 OD1 ASP A 51 -0.276 10.119 23.589 1.00 49.82 O ATOM 406 OD2 ASP A 51 -2.133 11.044 24.229 1.00 53.38 O ATOM 407 H ASP A 51 -2.920 7.747 20.177 1.00 0.00 H ATOM 408 N SER A 52 0.422 9.129 20.454 1.00 41.07 N ATOM 409 CA SER A 52 1.686 8.455 20.224 1.00 42.31 C ATOM 410 C SER A 52 2.237 7.794 21.502 1.00 54.57 C ATOM 411 O SER A 52 2.487 6.588 21.534 1.00 57.26 O ATOM 412 CB SER A 52 2.638 9.503 19.657 1.00 30.34 C ATOM 413 OG SER A 52 3.938 8.963 19.556 1.00 56.56 O ATOM 414 HG SER A 52 4.250 8.688 20.454 1.00 0.00 H ATOM 415 H SER A 52 0.320 10.125 20.172 1.00 0.00 H ATOM 416 N ARG A 53 2.452 8.588 22.554 1.00 49.99 N ATOM 417 CA ARG A 53 2.960 8.090 23.837 1.00 65.63 C ATOM 418 C ARG A 53 2.200 6.866 24.336 1.00 69.76 C ATOM 419 O ARG A 53 2.798 5.910 24.867 1.00 62.25 O ATOM 420 CB ARG A 53 2.852 9.194 24.897 1.00 54.48 C ATOM 421 CG ARG A 53 3.509 10.537 24.529 1.00 60.11 C ATOM 422 CD ARG A 53 3.636 11.488 25.715 1.00 57.10 C ATOM 423 NE ARG A 53 4.807 12.347 25.553 1.00 65.54 N ATOM 424 CZ ARG A 53 6.042 12.016 25.929 1.00 58.44 C ATOM 425 NH1 ARG A 53 6.307 10.839 26.506 1.00 54.83 N ATOM 426 NH2 ARG A 53 7.025 12.871 25.714 1.00 62.42 N ATOM 427 HE ARG A 53 4.667 13.280 25.115 1.00 0.00 H ATOM 428 HH12 ARG A 53 7.280 10.606 26.790 1.00 0.00 H ATOM 429 HH11 ARG A 53 5.540 10.156 26.671 1.00 0.00 H ATOM 430 HH22 ARG A 53 7.995 12.630 26.000 1.00 0.00 H ATOM 431 HH21 ARG A 53 6.829 13.785 25.258 1.00 0.00 H ATOM 432 H ARG A 53 2.250 9.604 22.460 1.00 0.00 H ATOM 433 N GLN A 54 0.869 6.907 24.219 1.00 56.83 N ATOM 434 CA GLN A 54 0.024 5.839 24.738 1.00 55.87 C ATOM 435 C GLN A 54 0.496 4.472 24.247 1.00 64.26 C ATOM 436 O GLN A 54 0.624 3.533 25.039 1.00 74.57 O ATOM 437 CB GLN A 54 -1.424 6.135 24.344 1.00 55.81 C ATOM 438 CG GLN A 54 -2.493 5.463 25.130 1.00 62.90 C ATOM 439 CD GLN A 54 -2.808 4.123 24.552 1.00 77.87 C ATOM 440 OE1 GLN A 54 -3.178 4.026 23.375 1.00 75.21 O ATOM 441 NE2 GLN A 54 -2.627 3.066 25.349 1.00 73.22 N ATOM 442 HE22 GLN A 54 -2.315 3.203 26.331 1.00 0.00 H ATOM 443 HE21 GLN A 54 -2.798 2.106 24.987 1.00 0.00 H ATOM 444 H GLN A 54 0.426 7.720 23.746 1.00 0.00 H ATOM 445 N VAL A 55 0.812 4.359 22.951 1.00 64.27 N ATOM 446 CA VAL A 55 1.372 3.149 22.342 1.00 55.39 C ATOM 447 C VAL A 55 2.862 3.031 22.683 1.00 55.18 C ATOM 448 O VAL A 55 3.515 2.069 22.286 1.00 55.05 O ATOM 449 CB VAL A 55 1.153 3.124 20.796 1.00 74.36 C ATOM 450 CG1 VAL A 55 -0.294 3.489 20.384 1.00 68.11 C ATOM 451 CG2 VAL A 55 2.120 4.055 20.004 1.00 61.93 C ATOM 452 H VAL A 55 0.650 5.183 22.337 1.00 0.00 H ATOM 453 N GLY A 56 3.427 3.996 23.411 1.00 67.31 N ATOM 454 CA GLY A 56 4.858 3.962 23.701 1.00 69.79 C ATOM 455 C GLY A 56 5.806 4.802 22.840 1.00 71.83 C ATOM 456 O GLY A 56 6.220 5.895 23.249 1.00 72.41 O ATOM 457 H GLY A 56 2.845 4.777 23.774 1.00 0.00 H ATOM 458 N GLN A 57 6.187 4.305 21.657 1.00 59.06 N ATOM 459 CA GLN A 57 7.290 4.911 20.907 1.00 69.60 C ATOM 460 C GLN A 57 6.871 6.203 20.191 1.00 60.94 C ATOM 461 O GLN A 57 5.699 6.390 19.850 1.00 52.51 O ATOM 462 CB GLN A 57 7.848 3.925 19.877 1.00 78.46 C ATOM 463 CG GLN A 57 8.691 2.778 20.455 1.00 85.96 C ATOM 464 CD GLN A 57 9.973 3.246 21.148 1.00 89.99 C ATOM 465 OE1 GLN A 57 9.926 3.991 22.126 1.00 86.92 O ATOM 466 NE2 GLN A 57 11.122 2.801 20.642 1.00103.45 N ATOM 467 HE22 GLN A 57 11.117 2.172 19.814 1.00 0.00 H ATOM 468 HE21 GLN A 57 12.025 3.082 21.075 1.00 0.00 H ATOM 469 H GLN A 57 5.693 3.478 21.265 1.00 0.00 H ATOM 470 N PRO A 58 7.813 7.114 19.957 1.00 55.98 N ATOM 471 CA PRO A 58 7.484 8.352 19.261 1.00 56.76 C ATOM 472 C PRO A 58 7.498 8.148 17.756 1.00 54.06 C ATOM 473 O PRO A 58 8.051 7.181 17.231 1.00 50.74 O ATOM 474 CB PRO A 58 8.598 9.305 19.702 1.00 53.84 C ATOM 475 CG PRO A 58 9.758 8.432 19.874 1.00 55.72 C ATOM 476 CD PRO A 58 9.246 7.072 20.298 1.00 60.66 C ATOM 477 N MET A 59 6.881 9.093 17.062 1.00 54.04 N ATOM 478 CA MET A 59 6.744 8.981 15.619 1.00 54.73 C ATOM 479 C MET A 59 7.993 9.474 14.883 1.00 49.40 C ATOM 480 O MET A 59 8.720 10.353 15.352 1.00 54.30 O ATOM 481 CB MET A 59 5.524 9.755 15.156 1.00 42.67 C ATOM 482 CG MET A 59 5.113 9.411 13.720 1.00 62.70 C ATOM 483 SD MET A 59 4.353 7.786 13.513 1.00 84.23 S ATOM 484 CE MET A 59 3.906 7.265 15.230 1.00 54.36 C ATOM 485 H MET A 59 6.491 9.922 17.554 1.00 0.00 H ATOM 486 N HIS A 60 8.258 8.858 13.735 1.00 51.81 N ATOM 487 CA HIS A 60 9.422 9.164 12.904 1.00 56.13 C ATOM 488 C HIS A 60 8.928 9.502 11.505 1.00 49.90 C ATOM 489 O HIS A 60 8.088 8.786 10.962 1.00 51.52 O ATOM 490 CB HIS A 60 10.399 7.982 12.819 1.00 55.60 C ATOM 491 CG HIS A 60 11.061 7.620 14.118 1.00 73.14 C ATOM 492 ND1 HIS A 60 10.386 7.576 15.323 1.00 78.57 N ATOM 493 CD2 HIS A 60 12.339 7.257 14.394 1.00 80.39 C ATOM 494 CE1 HIS A 60 11.222 7.212 16.286 1.00 69.20 C ATOM 495 NE2 HIS A 60 12.415 7.016 15.749 1.00 74.04 N ATOM 496 H HIS A 60 7.602 8.119 13.410 1.00 0.00 H ATOM 497 N ILE A 61 9.407 10.604 10.932 1.00 54.52 N ATOM 498 CA ILE A 61 9.195 10.877 9.512 1.00 52.29 C ATOM 499 C ILE A 61 10.478 11.416 8.911 1.00 53.47 C ATOM 500 O ILE A 61 11.419 11.807 9.612 1.00 52.59 O ATOM 501 CB ILE A 61 8.050 11.866 9.215 1.00 50.43 C ATOM 502 CG1 ILE A 61 8.373 13.264 9.743 1.00 54.83 C ATOM 503 CG2 ILE A 61 6.738 11.339 9.790 1.00 59.02 C ATOM 504 CD1 ILE A 61 8.958 14.235 8.750 1.00 53.39 C ATOM 505 H ILE A 61 9.943 11.285 11.507 1.00 0.00 H ATOM 506 N ILE A 62 10.493 11.425 7.581 1.00 63.28 N ATOM 507 CA ILE A 62 11.575 12.003 6.801 1.00 60.10 C ATOM 508 C ILE A 62 10.982 13.060 5.895 1.00 50.64 C ATOM 509 O ILE A 62 9.926 12.849 5.293 1.00 50.30 O ATOM 510 CB ILE A 62 12.329 10.970 5.958 1.00 57.59 C ATOM 511 CG1 ILE A 62 12.613 9.687 6.745 1.00 59.26 C ATOM 512 CG2 ILE A 62 13.616 11.609 5.452 1.00 63.98 C ATOM 513 CD1 ILE A 62 13.815 9.752 7.702 1.00 74.02 C ATOM 514 H ILE A 62 9.692 10.998 7.074 1.00 0.00 H ATOM 515 N ILE A 63 11.637 14.215 5.835 1.00 56.13 N ATOM 516 CA ILE A 63 11.153 15.306 4.998 1.00 56.66 C ATOM 517 C ILE A 63 11.332 14.896 3.543 1.00 60.05 C ATOM 518 O ILE A 63 12.447 14.564 3.122 1.00 45.92 O ATOM 519 CB ILE A 63 11.903 16.611 5.301 1.00 58.80 C ATOM 520 CG1 ILE A 63 11.742 17.006 6.792 1.00 54.20 C ATOM 521 CG2 ILE A 63 11.457 17.736 4.301 1.00 54.71 C ATOM 522 CD1 ILE A 63 10.539 17.896 7.080 1.00 46.81 C ATOM 523 H ILE A 63 12.506 14.342 6.392 1.00 0.00 H ATOM 524 N GLY A 64 10.234 14.916 2.785 1.00 55.02 N ATOM 525 CA GLY A 64 10.202 14.415 1.436 1.00 69.83 C ATOM 526 C GLY A 64 10.895 15.373 0.493 1.00 73.64 C ATOM 527 O GLY A 64 11.856 15.024 -0.206 1.00 42.40 O ATOM 528 H GLY A 64 9.361 15.312 3.188 1.00 0.00 H ATOM 529 N ASN A 65 10.418 16.609 0.497 1.00 72.46 N ATOM 530 CA ASN A 65 11.049 17.652 -0.289 1.00 60.28 C ATOM 531 C ASN A 65 10.786 18.973 0.401 1.00 61.00 C ATOM 532 O ASN A 65 9.625 19.375 0.542 1.00 63.84 O ATOM 533 CB ASN A 65 10.503 17.670 -1.701 1.00 70.47 C ATOM 534 CG ASN A 65 10.971 18.869 -2.461 1.00 68.65 C ATOM 535 OD1 ASN A 65 10.183 19.727 -2.830 1.00 73.54 O ATOM 536 ND2 ASN A 65 12.282 18.974 -2.636 1.00 61.87 N ATOM 537 HD22 ASN A 65 12.913 18.217 -2.304 1.00 0.00 H ATOM 538 HD21 ASN A 65 12.678 19.813 -3.105 1.00 0.00 H ATOM 539 H ASN A 65 9.581 16.834 1.071 1.00 0.00 H ATOM 540 N MET A 66 11.852 19.645 0.831 1.00 58.09 N ATOM 541 CA MET A 66 11.650 20.872 1.583 1.00 49.28 C ATOM 542 C MET A 66 10.844 21.897 0.803 1.00 58.38 C ATOM 543 O MET A 66 10.180 22.748 1.421 1.00 47.08 O ATOM 544 CB MET A 66 12.988 21.454 1.993 1.00 52.51 C ATOM 545 CG MET A 66 13.959 21.721 0.863 1.00 45.94 C ATOM 546 SD MET A 66 15.589 21.799 1.647 1.00 57.68 S ATOM 547 CE MET A 66 15.298 23.311 2.628 1.00 44.16 C ATOM 548 H MET A 66 12.812 19.298 0.632 1.00 0.00 H ATOM 549 N PHE A 67 10.839 21.806 -0.540 1.00 56.63 N ATOM 550 CA PHE A 67 10.135 22.781 -1.360 1.00 50.52 C ATOM 551 C PHE A 67 8.686 22.407 -1.638 1.00 53.52 C ATOM 552 O PHE A 67 7.887 23.296 -1.955 1.00 52.51 O ATOM 553 CB PHE A 67 10.902 22.991 -2.661 1.00 57.73 C ATOM 554 CG PHE A 67 12.378 23.145 -2.448 1.00 50.30 C ATOM 555 CD1 PHE A 67 12.907 24.363 -2.047 1.00 52.78 C ATOM 556 CD2 PHE A 67 13.230 22.073 -2.612 1.00 45.58 C ATOM 557 CE1 PHE A 67 14.270 24.505 -1.821 1.00 47.57 C ATOM 558 CE2 PHE A 67 14.589 22.207 -2.396 1.00 42.73 C ATOM 559 CZ PHE A 67 15.107 23.433 -1.999 1.00 43.50 C ATOM 560 H PHE A 67 11.348 21.024 -1.000 1.00 0.00 H ATOM 561 N LYS A 68 8.319 21.129 -1.521 1.00 60.86 N ATOM 562 CA LYS A 68 6.918 20.699 -1.553 1.00 71.33 C ATOM 563 C LYS A 68 6.689 19.849 -0.315 1.00 65.75 C ATOM 564 O LYS A 68 7.220 18.737 -0.207 1.00 65.95 O ATOM 565 CB LYS A 68 6.550 19.920 -2.836 1.00 73.95 C ATOM 566 CG LYS A 68 7.566 18.852 -3.290 1.00 65.94 C ATOM 567 CD LYS A 68 7.101 17.945 -4.448 1.00 73.10 C ATOM 568 CE LYS A 68 5.914 17.042 -4.127 1.00 81.35 C ATOM 569 NZ LYS A 68 5.573 16.102 -5.260 1.00 76.38 N ATOM 570 HZ1 LYS A 68 5.333 16.655 -6.107 1.00 0.00 H ATOM 571 HZ2 LYS A 68 6.392 15.493 -5.462 1.00 0.00 H ATOM 572 HZ3 LYS A 68 4.760 15.513 -4.988 1.00 0.00 H ATOM 573 H LYS A 68 9.059 20.408 -1.402 1.00 0.00 H ATOM 574 N LEU A 69 5.918 20.370 0.628 1.00 70.72 N ATOM 575 CA LEU A 69 5.814 19.754 1.943 1.00 59.09 C ATOM 576 C LEU A 69 4.407 19.226 2.182 1.00 52.79 C ATOM 577 O LEU A 69 3.412 19.862 1.805 1.00 43.44 O ATOM 578 CB LEU A 69 6.168 20.755 3.048 1.00 60.18 C ATOM 579 CG LEU A 69 7.566 21.358 3.192 1.00 51.79 C ATOM 580 CD1 LEU A 69 7.381 22.583 4.023 1.00 53.04 C ATOM 581 CD2 LEU A 69 8.613 20.447 3.842 1.00 54.32 C ATOM 582 H LEU A 69 5.377 21.235 0.425 1.00 0.00 H ATOM 583 N GLU A 70 4.340 18.073 2.848 1.00 57.36 N ATOM 584 CA GLU A 70 3.075 17.500 3.283 1.00 59.95 C ATOM 585 C GLU A 70 2.483 18.342 4.412 1.00 57.93 C ATOM 586 O GLU A 70 3.181 19.098 5.092 1.00 53.70 O ATOM 587 CB GLU A 70 3.271 16.062 3.764 1.00 56.27 C ATOM 588 CG GLU A 70 4.221 15.210 2.889 1.00 63.29 C ATOM 589 CD GLU A 70 3.656 14.854 1.523 1.00 58.50 C ATOM 590 OE1 GLU A 70 2.483 15.187 1.238 1.00 56.31 O ATOM 591 OE2 GLU A 70 4.400 14.231 0.742 1.00 65.06 O ATOM 592 H GLU A 70 5.222 17.566 3.064 1.00 0.00 H ATOM 593 N VAL A 71 1.172 18.216 4.609 1.00 53.04 N ATOM 594 CA VAL A 71 0.543 19.054 5.620 1.00 56.63 C ATOM 595 C VAL A 71 1.266 18.871 6.945 1.00 55.99 C ATOM 596 O VAL A 71 1.575 19.843 7.641 1.00 61.84 O ATOM 597 CB VAL A 71 -0.961 18.735 5.729 1.00 65.75 C ATOM 598 CG1 VAL A 71 -1.608 19.541 6.854 1.00 68.13 C ATOM 599 CG2 VAL A 71 -1.672 19.024 4.399 1.00 65.09 C ATOM 600 H VAL A 71 0.612 17.537 4.055 1.00 0.00 H ATOM 601 N TRP A 72 1.596 17.631 7.298 1.00 52.89 N ATOM 602 CA TRP A 72 2.261 17.419 8.572 1.00 50.24 C ATOM 603 C TRP A 72 3.645 18.048 8.589 1.00 51.67 C ATOM 604 O TRP A 72 4.083 18.541 9.627 1.00 54.28 O ATOM 605 CB TRP A 72 2.333 15.929 8.907 1.00 52.93 C ATOM 606 CG TRP A 72 3.063 15.022 7.937 1.00 60.37 C ATOM 607 CD1 TRP A 72 4.383 14.681 7.963 1.00 57.60 C ATOM 608 CD2 TRP A 72 2.488 14.301 6.843 1.00 52.45 C ATOM 609 NE1 TRP A 72 4.670 13.816 6.939 1.00 54.30 N ATOM 610 CE2 TRP A 72 3.520 13.567 6.238 1.00 59.94 C ATOM 611 CE3 TRP A 72 1.201 14.218 6.310 1.00 57.44 C ATOM 612 CZ2 TRP A 72 3.302 12.752 5.132 1.00 59.09 C ATOM 613 CZ3 TRP A 72 0.990 13.417 5.210 1.00 60.70 C ATOM 614 CH2 TRP A 72 2.031 12.693 4.637 1.00 62.44 C ATOM 615 HE1 TRP A 72 5.606 13.415 6.729 1.00 0.00 H ATOM 616 H TRP A 72 1.382 16.828 6.673 1.00 0.00 H ATOM 617 N GLU A 73 4.347 18.055 7.461 1.00 61.39 N ATOM 618 CA GLU A 73 5.644 18.721 7.419 1.00 57.92 C ATOM 619 C GLU A 73 5.504 20.218 7.656 1.00 49.50 C ATOM 620 O GLU A 73 6.422 20.859 8.184 1.00 47.29 O ATOM 621 CB GLU A 73 6.312 18.425 6.072 1.00 48.97 C ATOM 622 CG GLU A 73 6.854 16.999 6.063 1.00 54.92 C ATOM 623 CD GLU A 73 7.283 16.491 4.697 1.00 55.03 C ATOM 624 OE1 GLU A 73 6.914 17.125 3.676 1.00 55.53 O ATOM 625 OE2 GLU A 73 7.994 15.446 4.670 1.00 44.81 O ATOM 626 H GLU A 73 3.973 17.587 6.611 1.00 0.00 H ATOM 627 N ILE A 74 4.357 20.780 7.288 1.00 42.92 N ATOM 628 CA ILE A 74 4.167 22.214 7.385 1.00 45.14 C ATOM 629 C ILE A 74 4.113 22.603 8.836 1.00 58.58 C ATOM 630 O ILE A 74 4.704 23.607 9.243 1.00 56.14 O ATOM 631 CB ILE A 74 2.880 22.649 6.668 1.00 47.66 C ATOM 632 CG1 ILE A 74 2.959 22.381 5.156 1.00 60.89 C ATOM 633 CG2 ILE A 74 2.622 24.113 6.921 1.00 59.05 C ATOM 634 CD1 ILE A 74 4.166 22.956 4.490 1.00 57.40 C ATOM 635 H ILE A 74 3.586 20.183 6.926 1.00 0.00 H ATOM 636 N LEU A 75 3.343 21.830 9.617 1.00 57.09 N ATOM 637 CA LEU A 75 3.351 21.906 11.066 1.00 47.25 C ATOM 638 C LEU A 75 4.740 21.625 11.607 1.00 45.29 C ATOM 639 O LEU A 75 5.372 22.492 12.205 1.00 50.52 O ATOM 640 CB LEU A 75 2.327 20.920 11.643 1.00 44.08 C ATOM 641 CG LEU A 75 0.948 20.868 10.939 1.00 43.29 C ATOM 642 CD1 LEU A 75 -0.067 19.945 11.608 1.00 45.03 C ATOM 643 CD2 LEU A 75 0.335 22.219 10.798 1.00 42.92 C ATOM 644 H LEU A 75 2.709 21.143 9.161 1.00 0.00 H ATOM 645 N LEU A 76 5.248 20.426 11.389 1.00 42.44 N ATOM 646 CA LEU A 76 6.476 20.053 12.073 1.00 49.30 C ATOM 647 C LEU A 76 7.553 21.097 11.887 1.00 48.98 C ATOM 648 O LEU A 76 8.130 21.568 12.869 1.00 52.78 O ATOM 649 CB LEU A 76 6.969 18.696 11.588 1.00 46.96 C ATOM 650 CG LEU A 76 6.181 17.534 12.171 1.00 52.50 C ATOM 651 CD1 LEU A 76 6.501 16.261 11.416 1.00 41.04 C ATOM 652 CD2 LEU A 76 6.455 17.393 13.684 1.00 42.29 C ATOM 653 H LEU A 76 4.779 19.761 10.741 1.00 0.00 H ATOM 654 N THR A 77 7.834 21.485 10.639 1.00 49.75 N ATOM 655 CA THR A 77 8.997 22.334 10.369 1.00 55.05 C ATOM 656 C THR A 77 8.877 23.719 10.985 1.00 48.40 C ATOM 657 O THR A 77 9.883 24.435 11.017 1.00 54.85 O ATOM 658 CB THR A 77 9.282 22.519 8.846 1.00 50.46 C ATOM 659 OG1 THR A 77 8.215 23.255 8.211 1.00 57.16 O ATOM 660 CG2 THR A 77 9.507 21.191 8.130 1.00 48.78 C ATOM 661 HG1 THR A 77 7.364 22.760 8.319 1.00 0.00 H ATOM 662 H THR A 77 7.223 21.182 9.854 1.00 0.00 H ATOM 663 N SER A 78 7.680 24.122 11.438 1.00 51.31 N ATOM 664 CA SER A 78 7.443 25.380 12.152 1.00 46.58 C ATOM 665 C SER A 78 7.867 25.353 13.621 1.00 53.65 C ATOM 666 O SER A 78 7.634 26.354 14.326 1.00 46.66 O ATOM 667 CB SER A 78 5.960 25.723 12.102 1.00 46.27 C ATOM 668 OG SER A 78 5.307 25.241 13.260 1.00 51.27 O ATOM 669 HG SER A 78 5.710 25.659 14.062 1.00 0.00 H ATOM 670 H SER A 78 6.864 23.499 11.271 1.00 0.00 H ATOM 671 N MET A 79 8.469 24.247 14.083 1.00 54.31 N ATOM 672 CA MET A 79 8.687 23.950 15.492 1.00 50.87 C ATOM 673 C MET A 79 10.169 23.873 15.825 1.00 58.30 C ATOM 674 O MET A 79 11.016 23.659 14.954 1.00 47.21 O ATOM 675 CB MET A 79 8.032 22.610 15.872 1.00 47.46 C ATOM 676 CG MET A 79 6.523 22.566 15.615 1.00 45.56 C ATOM 677 SD MET A 79 5.860 21.056 16.247 1.00 42.79 S ATOM 678 CE MET A 79 5.999 21.451 17.975 1.00 44.53 C ATOM 679 H MET A 79 8.804 23.552 13.385 1.00 0.00 H ATOM 680 N ARG A 80 10.465 24.018 17.123 1.00 61.00 N ATOM 681 CA ARG A 80 11.811 23.872 17.656 1.00 54.94 C ATOM 682 C ARG A 80 11.891 22.627 18.520 1.00 51.88 C ATOM 683 O ARG A 80 10.878 22.075 18.964 1.00 52.86 O ATOM 684 CB ARG A 80 12.215 25.098 18.489 1.00 58.38 C ATOM 685 CG ARG A 80 11.972 26.431 17.764 1.00 69.92 C ATOM 686 CD ARG A 80 12.510 27.626 18.555 1.00 78.04 C ATOM 687 NE ARG A 80 12.456 28.872 17.778 1.00 91.84 N ATOM 688 CZ ARG A 80 12.615 30.093 18.293 1.00 92.89 C ATOM 689 NH1 ARG A 80 12.837 30.258 19.594 1.00 97.02 N ATOM 690 NH2 ARG A 80 12.542 31.159 17.507 1.00 92.94 N ATOM 691 HE ARG A 80 12.282 28.797 16.755 1.00 0.00 H ATOM 692 HH12 ARG A 80 12.959 31.215 19.983 1.00 0.00 H ATOM 693 HH11 ARG A 80 12.888 29.430 20.222 1.00 0.00 H ATOM 694 HH22 ARG A 80 12.666 32.110 17.908 1.00 0.00 H ATOM 695 HH21 ARG A 80 12.361 31.043 16.489 1.00 0.00 H ATOM 696 H ARG A 80 9.694 24.246 17.783 1.00 0.00 H ATOM 697 N VAL A 81 13.113 22.174 18.761 1.00 43.62 N ATOM 698 CA VAL A 81 13.265 21.026 19.633 1.00 50.18 C ATOM 699 C VAL A 81 12.592 21.313 20.977 1.00 52.97 C ATOM 700 O VAL A 81 12.699 22.414 21.535 1.00 50.49 O ATOM 701 CB VAL A 81 14.750 20.677 19.795 1.00 51.03 C ATOM 702 CG1 VAL A 81 14.897 19.520 20.741 1.00 53.94 C ATOM 703 CG2 VAL A 81 15.340 20.310 18.451 1.00 64.18 C ATOM 704 H VAL A 81 13.944 22.632 18.334 1.00 0.00 H ATOM 705 N HIS A 82 11.846 20.331 21.478 1.00 53.51 N ATOM 706 CA HIS A 82 11.160 20.377 22.764 1.00 48.58 C ATOM 707 C HIS A 82 9.977 21.326 22.740 1.00 49.90 C ATOM 708 O HIS A 82 9.254 21.421 23.714 1.00 57.05 O ATOM 709 CB HIS A 82 12.129 20.741 23.893 1.00 40.83 C ATOM 710 CG HIS A 82 13.315 19.816 23.971 1.00 51.75 C ATOM 711 ND1 HIS A 82 14.609 20.262 24.160 1.00 53.36 N ATOM 712 CD2 HIS A 82 13.401 18.467 23.837 1.00 52.60 C ATOM 713 CE1 HIS A 82 15.436 19.228 24.147 1.00 57.50 C ATOM 714 NE2 HIS A 82 14.729 18.129 23.949 1.00 52.89 N ATOM 715 H HIS A 82 11.745 19.466 20.910 1.00 0.00 H ATOM 716 N GLU A 83 9.727 22.011 21.643 1.00 54.48 N ATOM 717 CA GLU A 83 8.477 22.748 21.557 1.00 51.43 C ATOM 718 C GLU A 83 7.290 21.804 21.598 1.00 48.34 C ATOM 719 O GLU A 83 7.287 20.738 20.978 1.00 48.12 O ATOM 720 CB GLU A 83 8.428 23.545 20.289 1.00 37.94 C ATOM 721 CG GLU A 83 7.155 24.330 20.029 1.00 48.10 C ATOM 722 CD GLU A 83 7.311 25.162 18.746 1.00 55.17 C ATOM 723 OE1 GLU A 83 8.507 25.478 18.448 1.00 50.09 O ATOM 724 OE2 GLU A 83 6.281 25.445 18.049 1.00 48.39 O ATOM 725 H GLU A 83 10.408 22.024 20.857 1.00 0.00 H ATOM 726 N VAL A 84 6.284 22.193 22.351 1.00 51.67 N ATOM 727 CA VAL A 84 5.035 21.474 22.394 1.00 49.61 C ATOM 728 C VAL A 84 4.040 22.492 21.901 1.00 49.04 C ATOM 729 O VAL A 84 3.888 23.552 22.509 1.00 46.66 O ATOM 730 CB VAL A 84 4.710 20.939 23.804 1.00 54.20 C ATOM 731 CG1 VAL A 84 3.363 20.231 23.834 1.00 45.85 C ATOM 732 CG2 VAL A 84 5.813 19.982 24.278 1.00 42.45 C ATOM 733 H VAL A 84 6.393 23.047 22.934 1.00 0.00 H ATOM 734 N ALA A 85 3.471 22.236 20.728 1.00 57.27 N ATOM 735 CA ALA A 85 2.611 23.196 20.056 1.00 51.93 C ATOM 736 C ALA A 85 1.324 22.495 19.661 1.00 49.86 C ATOM 737 O ALA A 85 1.321 21.296 19.388 1.00 57.99 O ATOM 738 CB ALA A 85 3.291 23.781 18.816 1.00 49.76 C ATOM 739 H ALA A 85 3.647 21.317 20.275 1.00 0.00 H ATOM 740 N GLU A 86 0.235 23.244 19.640 1.00 51.79 N ATOM 741 CA GLU A 86 -1.082 22.719 19.319 1.00 54.10 C ATOM 742 C GLU A 86 -1.559 23.348 18.015 1.00 60.33 C ATOM 743 O GLU A 86 -1.485 24.571 17.852 1.00 59.40 O ATOM 744 CB GLU A 86 -2.074 22.998 20.449 1.00 55.24 C ATOM 745 CG GLU A 86 -3.483 23.379 19.978 1.00 58.43 C ATOM 746 CD GLU A 86 -4.465 23.417 21.132 1.00 48.95 C ATOM 747 OE1 GLU A 86 -4.066 22.977 22.225 1.00 50.30 O ATOM 748 OE2 GLU A 86 -5.623 23.871 20.946 1.00 50.35 O ATOM 749 H GLU A 86 0.325 24.256 19.863 1.00 0.00 H ATOM 750 N PHE A 87 -2.056 22.509 17.095 1.00 57.57 N ATOM 751 CA PHE A 87 -2.469 22.921 15.748 1.00 54.49 C ATOM 752 C PHE A 87 -3.949 22.603 15.574 1.00 52.23 C ATOM 753 O PHE A 87 -4.334 21.429 15.510 1.00 49.82 O ATOM 754 CB PHE A 87 -1.644 22.206 14.669 1.00 46.82 C ATOM 755 CG PHE A 87 -0.149 22.435 14.782 1.00 46.02 C ATOM 756 CD1 PHE A 87 0.619 21.686 15.659 1.00 49.12 C ATOM 757 CD2 PHE A 87 0.479 23.401 14.016 1.00 40.66 C ATOM 758 CE1 PHE A 87 1.994 21.893 15.764 1.00 48.16 C ATOM 759 CE2 PHE A 87 1.845 23.598 14.102 1.00 43.41 C ATOM 760 CZ PHE A 87 2.602 22.847 14.984 1.00 45.37 C ATOM 761 H PHE A 87 -2.155 21.506 17.351 1.00 0.00 H ATOM 762 N TRP A 88 -4.786 23.628 15.508 1.00 57.30 N ATOM 763 CA TRP A 88 -6.183 23.418 15.159 1.00 59.11 C ATOM 764 C TRP A 88 -6.236 23.440 13.651 1.00 62.51 C ATOM 765 O TRP A 88 -5.811 24.425 13.041 1.00 71.51 O ATOM 766 CB TRP A 88 -7.101 24.487 15.730 1.00 59.72 C ATOM 767 CG TRP A 88 -8.464 24.423 15.153 1.00 53.41 C ATOM 768 CD1 TRP A 88 -9.542 23.753 15.648 1.00 60.29 C ATOM 769 CD2 TRP A 88 -8.906 25.063 13.956 1.00 66.32 C ATOM 770 NE1 TRP A 88 -10.637 23.937 14.831 1.00 53.13 N ATOM 771 CE2 TRP A 88 -10.268 24.740 13.786 1.00 63.02 C ATOM 772 CE3 TRP A 88 -8.276 25.878 12.996 1.00 67.10 C ATOM 773 CZ2 TRP A 88 -11.009 25.205 12.708 1.00 59.66 C ATOM 774 CZ3 TRP A 88 -9.008 26.334 11.935 1.00 60.52 C ATOM 775 CH2 TRP A 88 -10.360 26.002 11.796 1.00 64.35 C ATOM 776 HE1 TRP A 88 -11.584 23.534 14.983 1.00 0.00 H ATOM 777 H TRP A 88 -4.442 24.589 15.707 1.00 0.00 H ATOM 778 N CYS A 89 -6.720 22.359 13.049 1.00 59.68 N ATOM 779 CA CYS A 89 -6.696 22.220 11.596 1.00 61.56 C ATOM 780 C CYS A 89 -8.112 22.098 11.064 1.00 60.94 C ATOM 781 O CYS A 89 -8.904 21.265 11.536 1.00 50.99 O ATOM 782 CB CYS A 89 -5.858 21.027 11.167 1.00 46.01 C ATOM 783 SG CYS A 89 -4.100 21.306 11.338 1.00 52.49 S ATOM 784 H CYS A 89 -7.125 21.594 13.626 1.00 0.00 H ATOM 785 N ASP A 90 -8.410 22.938 10.074 1.00 64.81 N ATOM 786 CA ASP A 90 -9.749 23.057 9.529 1.00 62.83 C ATOM 787 C ASP A 90 -10.175 21.753 8.856 1.00 56.21 C ATOM 788 O ASP A 90 -9.350 20.944 8.428 1.00 61.92 O ATOM 789 CB ASP A 90 -9.797 24.226 8.541 1.00 69.12 C ATOM 790 CG ASP A 90 -11.190 24.812 8.407 1.00 76.74 C ATOM 791 OD1 ASP A 90 -12.017 24.580 9.330 1.00 65.44 O ATOM 792 OD2 ASP A 90 -11.456 25.489 7.379 1.00 81.97 O ATOM 793 H ASP A 90 -7.654 23.531 9.677 1.00 0.00 H ATOM 794 N THR A 91 -11.494 21.549 8.785 1.00 52.39 N ATOM 795 CA THR A 91 -12.050 20.359 8.153 1.00 51.18 C ATOM 796 C THR A 91 -11.403 20.068 6.811 1.00 60.27 C ATOM 797 O THR A 91 -11.229 18.901 6.438 1.00 66.35 O ATOM 798 CB THR A 91 -13.555 20.534 7.969 1.00 59.67 C ATOM 799 OG1 THR A 91 -14.171 20.670 9.258 1.00 64.04 O ATOM 800 CG2 THR A 91 -14.175 19.345 7.216 1.00 60.75 C ATOM 801 HG1 THR A 91 -15.148 20.784 9.145 1.00 0.00 H ATOM 802 H THR A 91 -12.139 22.257 9.191 1.00 0.00 H ATOM 803 N ILE A 92 -11.035 21.107 6.066 1.00 60.68 N ATOM 804 CA ILE A 92 -10.475 20.900 4.738 1.00 66.95 C ATOM 805 C ILE A 92 -9.146 20.162 4.774 1.00 63.25 C ATOM 806 O ILE A 92 -8.648 19.755 3.725 1.00 65.58 O ATOM 807 CB ILE A 92 -10.337 22.258 4.013 1.00 66.70 C ATOM 808 CG1 ILE A 92 -11.636 23.070 4.168 1.00 79.51 C ATOM 809 CG2 ILE A 92 -10.023 22.063 2.510 1.00 67.55 C ATOM 810 CD1 ILE A 92 -12.945 22.315 3.755 1.00 69.04 C ATOM 811 H ILE A 92 -11.148 22.073 6.434 1.00 0.00 H ATOM 812 N HIS A 93 -8.565 19.947 5.953 1.00 60.04 N ATOM 813 CA HIS A 93 -7.288 19.260 6.029 1.00 56.21 C ATOM 814 C HIS A 93 -7.390 17.893 6.656 1.00 48.07 C ATOM 815 O HIS A 93 -6.410 17.142 6.614 1.00 47.33 O ATOM 816 CB HIS A 93 -6.276 20.096 6.819 1.00 68.72 C ATOM 817 CG HIS A 93 -5.967 21.404 6.174 1.00 69.38 C ATOM 818 ND1 HIS A 93 -5.164 21.506 5.057 1.00 64.90 N ATOM 819 CD2 HIS A 93 -6.375 22.660 6.467 1.00 68.23 C ATOM 820 CE1 HIS A 93 -5.072 22.773 4.702 1.00 64.18 C ATOM 821 NE2 HIS A 93 -5.801 23.493 5.536 1.00 75.25 N ATOM 822 H HIS A 93 -9.029 20.273 6.825 1.00 0.00 H ATOM 823 N THR A 94 -8.545 17.540 7.207 1.00 53.22 N ATOM 824 CA THR A 94 -8.653 16.333 8.010 1.00 51.61 C ATOM 825 C THR A 94 -9.372 15.185 7.294 1.00 47.93 C ATOM 826 O THR A 94 -9.406 14.080 7.826 1.00 45.75 O ATOM 827 CB THR A 94 -9.321 16.653 9.380 1.00 54.00 C ATOM 828 OG1 THR A 94 -10.704 16.988 9.241 1.00 51.87 O ATOM 829 CG2 THR A 94 -8.635 17.815 10.060 1.00 55.13 C ATOM 830 HG1 THR A 94 -11.086 17.183 10.133 1.00 0.00 H ATOM 831 H THR A 94 -9.385 18.136 7.062 1.00 0.00 H ATOM 832 N GLY A 95 -9.894 15.380 6.077 1.00 49.19 N ATOM 833 CA GLY A 95 -10.556 14.270 5.400 1.00 38.35 C ATOM 834 C GLY A 95 -9.669 13.054 5.202 1.00 39.42 C ATOM 835 O GLY A 95 -10.155 11.918 5.224 1.00 48.54 O ATOM 836 H GLY A 95 -9.828 16.312 5.619 1.00 0.00 H ATOM 837 N VAL A 96 -8.352 13.267 5.062 1.00 47.61 N ATOM 838 CA VAL A 96 -7.382 12.167 4.950 1.00 43.51 C ATOM 839 C VAL A 96 -6.896 11.588 6.276 1.00 43.62 C ATOM 840 O VAL A 96 -6.215 10.550 6.242 1.00 38.61 O ATOM 841 CB VAL A 96 -6.163 12.620 4.112 1.00 44.44 C ATOM 842 CG1 VAL A 96 -5.605 13.962 4.530 1.00 50.53 C ATOM 843 CG2 VAL A 96 -5.043 11.573 4.114 1.00 53.86 C ATOM 844 H VAL A 96 -8.004 14.247 5.032 1.00 0.00 H ATOM 845 N TYR A 97 -7.229 12.186 7.444 1.00 44.29 N ATOM 846 CA TYR A 97 -6.654 11.679 8.705 1.00 45.76 C ATOM 847 C TYR A 97 -7.047 10.225 8.996 1.00 36.47 C ATOM 848 O TYR A 97 -6.165 9.445 9.409 1.00 34.96 O ATOM 849 CB TYR A 97 -6.999 12.569 9.939 1.00 43.08 C ATOM 850 CG TYR A 97 -6.205 12.078 11.188 1.00 40.69 C ATOM 851 CD1 TYR A 97 -4.876 12.426 11.379 1.00 34.39 C ATOM 852 CD2 TYR A 97 -6.761 11.193 12.084 1.00 30.74 C ATOM 853 CE1 TYR A 97 -4.150 11.911 12.416 1.00 37.91 C ATOM 854 CE2 TYR A 97 -6.057 10.709 13.114 1.00 46.55 C ATOM 855 CZ TYR A 97 -4.760 11.070 13.290 1.00 41.88 C ATOM 856 OH TYR A 97 -4.088 10.521 14.340 1.00 33.49 O ATOM 857 HH TYR A 97 -4.074 9.536 14.242 1.00 0.00 H ATOM 858 H TYR A 97 -7.883 12.994 7.453 1.00 0.00 H ATOM 859 N PRO A 98 -8.289 9.778 8.766 1.00 38.35 N ATOM 860 CA PRO A 98 -8.599 8.372 9.061 1.00 42.07 C ATOM 861 C PRO A 98 -7.714 7.404 8.314 1.00 38.95 C ATOM 862 O PRO A 98 -7.183 6.466 8.914 1.00 38.93 O ATOM 863 CB PRO A 98 -10.060 8.239 8.646 1.00 42.50 C ATOM 864 CG PRO A 98 -10.593 9.611 8.728 1.00 43.28 C ATOM 865 CD PRO A 98 -9.476 10.507 8.304 1.00 42.77 C ATOM 866 N ILE A 99 -7.515 7.606 7.009 1.00 47.44 N ATOM 867 CA ILE A 99 -6.680 6.659 6.278 1.00 41.54 C ATOM 868 C ILE A 99 -5.232 6.778 6.731 1.00 30.79 C ATOM 869 O ILE A 99 -4.563 5.780 6.991 1.00 34.15 O ATOM 870 CB ILE A 99 -6.823 6.859 4.767 1.00 35.10 C ATOM 871 CG1 ILE A 99 -8.182 6.332 4.292 1.00 38.71 C ATOM 872 CG2 ILE A 99 -5.714 6.130 4.091 1.00 32.37 C ATOM 873 CD1 ILE A 99 -8.468 6.588 2.804 1.00 45.11 C ATOM 874 H ILE A 99 -7.945 8.420 6.525 1.00 0.00 H ATOM 875 N LEU A 100 -4.742 7.987 6.914 1.00 35.70 N ATOM 876 CA LEU A 100 -3.418 8.128 7.517 1.00 39.84 C ATOM 877 C LEU A 100 -3.317 7.421 8.877 1.00 46.23 C ATOM 878 O LEU A 100 -2.283 6.821 9.207 1.00 43.21 O ATOM 879 CB LEU A 100 -3.120 9.605 7.669 1.00 50.34 C ATOM 880 CG LEU A 100 -1.670 9.927 7.957 1.00 61.77 C ATOM 881 CD1 LEU A 100 -0.837 9.725 6.654 1.00 76.63 C ATOM 882 CD2 LEU A 100 -1.649 11.355 8.453 1.00 60.65 C ATOM 883 H LEU A 100 -5.288 8.827 6.634 1.00 0.00 H ATOM 884 N SER A 101 -4.375 7.483 9.690 1.00 41.17 N ATOM 885 CA SER A 101 -4.306 6.891 11.023 1.00 43.07 C ATOM 886 C SER A 101 -4.266 5.368 10.939 1.00 41.99 C ATOM 887 O SER A 101 -3.415 4.714 11.561 1.00 39.66 O ATOM 888 CB SER A 101 -5.501 7.379 11.848 1.00 40.90 C ATOM 889 OG SER A 101 -5.620 6.676 13.066 1.00 41.25 O ATOM 890 HG SER A 101 -4.798 6.806 13.602 1.00 0.00 H ATOM 891 H SER A 101 -5.247 7.953 9.374 1.00 0.00 H ATOM 892 N ARG A 102 -5.158 4.791 10.141 1.00 46.23 N ATOM 893 CA ARG A 102 -5.168 3.345 9.923 1.00 46.23 C ATOM 894 C ARG A 102 -3.795 2.800 9.527 1.00 38.06 C ATOM 895 O ARG A 102 -3.398 1.719 9.954 1.00 49.36 O ATOM 896 CB ARG A 102 -6.215 3.056 8.856 1.00 48.65 C ATOM 897 CG ARG A 102 -6.229 1.685 8.246 1.00 52.98 C ATOM 898 CD ARG A 102 -7.013 1.808 6.939 1.00 48.01 C ATOM 899 NE ARG A 102 -7.515 0.539 6.430 1.00 57.27 N ATOM 900 CZ ARG A 102 -6.821 -0.283 5.649 1.00 62.06 C ATOM 901 NH1 ARG A 102 -5.567 0.020 5.322 1.00 54.88 N ATOM 902 NH2 ARG A 102 -7.388 -1.406 5.202 1.00 57.79 N ATOM 903 HE ARG A 102 -8.480 0.257 6.695 1.00 0.00 H ATOM 904 HH12 ARG A 102 -5.020 -0.620 4.711 1.00 0.00 H ATOM 905 HH11 ARG A 102 -5.134 0.896 5.677 1.00 0.00 H ATOM 906 HH22 ARG A 102 -6.850 -2.053 4.591 1.00 0.00 H ATOM 907 HH21 ARG A 102 -8.368 -1.634 5.465 1.00 0.00 H ATOM 908 H ARG A 102 -5.866 5.382 9.660 1.00 0.00 H ATOM 909 N SER A 103 -3.054 3.519 8.702 1.00 37.23 N ATOM 910 CA SER A 103 -1.715 3.054 8.373 1.00 39.34 C ATOM 911 C SER A 103 -0.759 3.165 9.560 1.00 47.90 C ATOM 912 O SER A 103 0.135 2.323 9.697 1.00 49.11 O ATOM 913 CB SER A 103 -1.192 3.831 7.170 1.00 39.64 C ATOM 914 OG SER A 103 -1.968 3.464 6.022 1.00 55.40 O ATOM 915 HG SER A 103 -1.640 3.961 5.231 1.00 0.00 H ATOM 916 H SER A 103 -3.422 4.402 8.295 1.00 0.00 H ATOM 917 N LEU A 104 -0.899 4.205 10.400 1.00 42.64 N ATOM 918 CA LEU A 104 -0.037 4.338 11.568 1.00 47.64 C ATOM 919 C LEU A 104 -0.285 3.203 12.535 1.00 49.38 C ATOM 920 O LEU A 104 0.656 2.553 12.996 1.00 59.66 O ATOM 921 CB LEU A 104 -0.272 5.675 12.270 1.00 39.95 C ATOM 922 CG LEU A 104 0.080 6.912 11.449 1.00 51.49 C ATOM 923 CD1 LEU A 104 -0.510 8.140 12.089 1.00 46.41 C ATOM 924 CD2 LEU A 104 1.567 7.034 11.335 1.00 52.16 C ATOM 925 H LEU A 104 -1.629 4.922 10.215 1.00 0.00 H ATOM 926 N ARG A 105 -1.556 2.925 12.824 1.00 47.86 N ATOM 927 CA ARG A 105 -1.883 1.846 13.743 1.00 44.59 C ATOM 928 C ARG A 105 -1.294 0.527 13.263 1.00 58.00 C ATOM 929 O ARG A 105 -0.707 -0.218 14.054 1.00 67.36 O ATOM 930 CB ARG A 105 -3.396 1.755 13.895 1.00 44.71 C ATOM 931 CG ARG A 105 -4.027 3.095 14.213 1.00 41.59 C ATOM 932 CD ARG A 105 -5.475 2.995 14.609 1.00 42.92 C ATOM 933 NE ARG A 105 -5.932 4.213 15.282 1.00 38.74 N ATOM 934 CZ ARG A 105 -7.194 4.442 15.644 1.00 44.97 C ATOM 935 NH1 ARG A 105 -8.140 3.534 15.423 1.00 42.41 N ATOM 936 NH2 ARG A 105 -7.530 5.601 16.199 1.00 38.94 N ATOM 937 HE ARG A 105 -5.226 4.947 15.491 1.00 0.00 H ATOM 938 HH12 ARG A 105 -9.121 3.725 15.710 1.00 0.00 H ATOM 939 HH11 ARG A 105 -7.899 2.633 14.963 1.00 0.00 H ATOM 940 HH22 ARG A 105 -8.516 5.776 16.480 1.00 0.00 H ATOM 941 HH21 ARG A 105 -6.807 6.333 16.352 1.00 0.00 H ATOM 942 H ARG A 105 -2.319 3.483 12.390 1.00 0.00 H ATOM 943 N GLN A 106 -1.428 0.226 11.969 1.00 48.80 N ATOM 944 CA GLN A 106 -0.807 -0.967 11.399 1.00 51.91 C ATOM 945 C GLN A 106 0.698 -0.965 11.611 1.00 51.43 C ATOM 946 O GLN A 106 1.288 -2.006 11.903 1.00 62.33 O ATOM 947 CB GLN A 106 -1.114 -1.066 9.891 1.00 53.70 C ATOM 948 CG GLN A 106 -2.432 -1.716 9.544 1.00 55.24 C ATOM 949 CD GLN A 106 -2.753 -1.551 8.095 1.00 59.46 C ATOM 950 OE1 GLN A 106 -1.957 -1.003 7.346 1.00 57.87 O ATOM 951 NE2 GLN A 106 -3.923 -2.027 7.677 1.00 72.95 N ATOM 952 HE22 GLN A 106 -4.568 -2.486 8.351 1.00 0.00 H ATOM 953 HE21 GLN A 106 -4.192 -1.940 6.676 1.00 0.00 H ATOM 954 H GLN A 106 -1.986 0.853 11.355 1.00 0.00 H ATOM 955 N MET A 107 1.355 0.172 11.392 1.00 56.87 N ATOM 956 CA MET A 107 2.788 0.241 11.670 1.00 62.26 C ATOM 957 C MET A 107 3.061 -0.032 13.140 1.00 64.00 C ATOM 958 O MET A 107 4.082 -0.640 13.494 1.00 66.33 O ATOM 959 CB MET A 107 3.350 1.610 11.297 1.00 63.85 C ATOM 960 CG MET A 107 3.373 1.906 9.806 1.00 58.91 C ATOM 961 SD MET A 107 4.358 3.389 9.421 1.00 76.07 S ATOM 962 CE MET A 107 3.150 4.591 8.850 1.00 55.05 C ATOM 963 H MET A 107 0.852 1.005 11.026 1.00 0.00 H ATOM 964 N ALA A 108 2.150 0.417 14.012 1.00 63.20 N ATOM 965 CA ALA A 108 2.324 0.241 15.452 1.00 58.74 C ATOM 966 C ALA A 108 2.246 -1.224 15.842 1.00 57.54 C ATOM 967 O ALA A 108 2.790 -1.622 16.870 1.00 63.33 O ATOM 968 CB ALA A 108 1.266 1.039 16.214 1.00 56.34 C ATOM 969 H ALA A 108 1.301 0.901 13.657 1.00 0.00 H ATOM 970 N GLN A 109 1.591 -2.045 15.032 1.00 62.81 N ATOM 971 CA GLN A 109 1.514 -3.468 15.286 1.00 52.89 C ATOM 972 C GLN A 109 2.518 -4.269 14.454 1.00 68.60 C ATOM 973 O GLN A 109 2.377 -5.491 14.323 1.00 74.78 O ATOM 974 CB GLN A 109 0.083 -3.930 15.039 1.00 68.31 C ATOM 975 CG GLN A 109 -0.934 -3.203 15.919 1.00 72.76 C ATOM 976 CD GLN A 109 -2.304 -3.086 15.261 1.00 81.86 C ATOM 977 OE1 GLN A 109 -2.541 -3.661 14.189 1.00 67.92 O ATOM 978 NE2 GLN A 109 -3.212 -2.328 15.898 1.00 78.42 N ATOM 979 HE22 GLN A 109 -2.965 -1.865 16.796 1.00 0.00 H ATOM 980 HE21 GLN A 109 -4.162 -2.204 15.493 1.00 0.00 H ATOM 981 H GLN A 109 1.120 -1.655 14.191 1.00 0.00 H ATOM 982 N GLY A 110 3.534 -3.615 13.911 1.00 70.47 N ATOM 983 CA GLY A 110 4.566 -4.301 13.131 1.00 63.61 C ATOM 984 C GLY A 110 4.222 -4.397 11.688 1.00 75.54 C ATOM 985 O GLY A 110 5.052 -4.095 10.832 1.00 81.08 O ATOM 986 H GLY A 110 3.601 -2.585 14.042 1.00 0.00 H ATOM 987 N LYS A 111 2.989 -4.807 11.393 1.00 82.05 N ATOM 988 CA LYS A 111 2.525 -4.895 10.015 1.00 68.20 C ATOM 989 C LYS A 111 2.957 -3.659 9.255 1.00 70.43 C ATOM 990 O LYS A 111 2.848 -2.533 9.752 1.00 75.18 O ATOM 991 CB LYS A 111 0.998 -5.029 9.969 1.00 71.04 C ATOM 992 CG LYS A 111 0.430 -6.254 10.716 1.00 76.30 C ATOM 993 CD LYS A 111 -1.101 -6.191 10.849 1.00 73.70 C ATOM 994 CE LYS A 111 -1.781 -6.268 9.491 1.00 92.16 C ATOM 995 NZ LYS A 111 -3.257 -6.335 9.630 1.00 98.83 N ATOM 996 HZ1 LYS A 111 -3.514 -7.181 10.178 1.00 0.00 H ATOM 997 HZ2 LYS A 111 -3.597 -5.484 10.123 1.00 0.00 H ATOM 998 HZ3 LYS A 111 -3.691 -6.387 8.686 1.00 0.00 H ATOM 999 H LYS A 111 2.343 -5.070 12.164 1.00 0.00 H ATOM 1000 N ASP A 112 3.472 -3.887 8.064 1.00 66.43 N ATOM 1001 CA ASP A 112 3.946 -2.831 7.191 1.00 75.06 C ATOM 1002 C ASP A 112 2.897 -2.540 6.122 1.00 80.07 C ATOM 1003 O ASP A 112 2.716 -3.360 5.203 1.00 75.53 O ATOM 1004 CB ASP A 112 5.262 -3.261 6.553 1.00 72.83 C ATOM 1005 CG ASP A 112 5.731 -2.293 5.532 1.00 84.56 C ATOM 1006 OD1 ASP A 112 5.800 -1.097 5.875 1.00 80.27 O ATOM 1007 OD2 ASP A 112 6.022 -2.722 4.391 1.00 94.89 O ATOM 1008 H ASP A 112 3.542 -4.871 7.735 1.00 0.00 H ATOM 1009 N PRO A 113 2.186 -1.399 6.182 1.00 77.70 N ATOM 1010 CA PRO A 113 1.037 -1.179 5.284 1.00 76.72 C ATOM 1011 C PRO A 113 1.380 -1.113 3.805 1.00 84.73 C ATOM 1012 O PRO A 113 0.466 -0.919 2.994 1.00 86.66 O ATOM 1013 CB PRO A 113 0.466 0.165 5.764 1.00 64.04 C ATOM 1014 CG PRO A 113 1.558 0.805 6.533 1.00 61.51 C ATOM 1015 CD PRO A 113 2.329 -0.302 7.155 1.00 76.13 C ATOM 1016 N THR A 114 2.654 -1.252 3.426 1.00 90.90 N ATOM 1017 CA THR A 114 3.051 -1.343 2.024 1.00 86.22 C ATOM 1018 C THR A 114 3.384 -2.762 1.589 1.00 87.77 C ATOM 1019 O THR A 114 3.196 -3.087 0.414 1.00 94.79 O ATOM 1020 CB THR A 114 4.265 -0.444 1.745 1.00 93.44 C ATOM 1021 OG1 THR A 114 5.329 -0.745 2.662 1.00 89.98 O ATOM 1022 CG2 THR A 114 3.887 1.034 1.866 1.00 86.41 C ATOM 1023 HG1 THR A 114 5.596 -1.692 2.556 1.00 0.00 H ATOM 1024 H THR A 114 3.391 -1.297 4.158 1.00 0.00 H ATOM 1025 N GLU A 115 3.876 -3.611 2.501 1.00 90.90 N ATOM 1026 CA GLU A 115 4.161 -5.009 2.187 1.00 91.00 C ATOM 1027 C GLU A 115 2.956 -5.644 1.507 1.00 88.21 C ATOM 1028 O GLU A 115 1.820 -5.189 1.683 1.00 83.64 O ATOM 1029 CB GLU A 115 4.529 -5.800 3.447 1.00 85.29 C ATOM 1030 CG GLU A 115 4.990 -7.243 3.182 1.00 80.52 C ATOM 1031 CD GLU A 115 3.852 -8.260 3.136 1.00 80.06 C ATOM 1032 OE1 GLU A 115 2.794 -8.017 3.751 1.00 79.53 O ATOM 1033 OE2 GLU A 115 4.015 -9.314 2.479 1.00 86.52 O ATOM 1034 H GLU A 115 4.061 -3.264 3.464 1.00 0.00 H ATOM 1035 N TRP A 116 3.190 -6.716 0.754 1.00 83.10 N ATOM 1036 CA TRP A 116 2.150 -7.226 -0.127 1.00 84.51 C ATOM 1037 C TRP A 116 0.960 -7.771 0.660 1.00 77.83 C ATOM 1038 O TRP A 116 -0.160 -7.261 0.544 1.00 81.33 O ATOM 1039 CB TRP A 116 2.717 -8.294 -1.069 1.00 88.20 C ATOM 1040 CG TRP A 116 1.692 -8.630 -2.036 1.00 79.97 C ATOM 1041 CD1 TRP A 116 1.323 -7.896 -3.119 1.00 78.08 C ATOM 1042 CD2 TRP A 116 0.808 -9.746 -1.975 1.00 77.73 C ATOM 1043 NE1 TRP A 116 0.266 -8.502 -3.755 1.00 83.33 N ATOM 1044 CE2 TRP A 116 -0.066 -9.643 -3.068 1.00 69.82 C ATOM 1045 CE3 TRP A 116 0.675 -10.828 -1.102 1.00 81.39 C ATOM 1046 CZ2 TRP A 116 -1.057 -10.586 -3.319 1.00 69.70 C ATOM 1047 CZ3 TRP A 116 -0.310 -11.773 -1.358 1.00 82.08 C ATOM 1048 CH2 TRP A 116 -1.161 -11.642 -2.460 1.00 74.06 C ATOM 1049 HE1 TRP A 116 -0.204 -8.154 -4.615 1.00 0.00 H ATOM 1050 H TRP A 116 4.115 -7.189 0.795 1.00 0.00 H ATOM 1051 N HIS A 117 1.171 -8.823 1.449 1.00 77.78 N ATOM 1052 CA HIS A 117 0.051 -9.465 2.135 1.00 76.42 C ATOM 1053 C HIS A 117 -0.769 -8.474 2.954 1.00 79.03 C ATOM 1054 O HIS A 117 -1.999 -8.597 3.019 1.00 72.47 O ATOM 1055 CB HIS A 117 0.558 -10.581 3.041 1.00 88.54 C ATOM 1056 CG HIS A 117 1.189 -11.704 2.294 1.00 87.48 C ATOM 1057 ND1 HIS A 117 2.309 -11.530 1.509 1.00 85.47 N ATOM 1058 CD2 HIS A 117 0.850 -13.011 2.193 1.00 84.89 C ATOM 1059 CE1 HIS A 117 2.637 -12.686 0.962 1.00 84.34 C ATOM 1060 NE2 HIS A 117 1.768 -13.601 1.361 1.00 86.77 N ATOM 1061 H HIS A 117 2.136 -9.189 1.578 1.00 0.00 H ATOM 1062 N VAL A 118 -0.115 -7.511 3.623 1.00 73.25 N ATOM 1063 CA VAL A 118 -0.858 -6.564 4.460 1.00 76.88 C ATOM 1064 C VAL A 118 -1.711 -5.656 3.583 1.00 66.81 C ATOM 1065 O VAL A 118 -2.934 -5.562 3.758 1.00 57.58 O ATOM 1066 CB VAL A 118 0.096 -5.748 5.362 1.00 73.87 C ATOM 1067 CG1 VAL A 118 -0.676 -4.652 6.141 1.00 66.83 C ATOM 1068 CG2 VAL A 118 0.859 -6.674 6.344 1.00 66.63 C ATOM 1069 H VAL A 118 0.920 -7.437 3.547 1.00 0.00 H ATOM 1070 N HIS A 119 -1.077 -5.007 2.601 1.00 68.72 N ATOM 1071 CA HIS A 119 -1.773 -4.054 1.739 1.00 68.68 C ATOM 1072 C HIS A 119 -2.947 -4.705 1.011 1.00 61.91 C ATOM 1073 O HIS A 119 -4.005 -4.088 0.864 1.00 59.44 O ATOM 1074 CB HIS A 119 -0.766 -3.446 0.759 1.00 78.38 C ATOM 1075 CG HIS A 119 -1.384 -2.706 -0.385 1.00 78.30 C ATOM 1076 ND1 HIS A 119 -1.993 -1.476 -0.236 1.00 76.27 N ATOM 1077 CD2 HIS A 119 -1.462 -3.010 -1.705 1.00 79.18 C ATOM 1078 CE1 HIS A 119 -2.433 -1.064 -1.411 1.00 79.83 C ATOM 1079 NE2 HIS A 119 -2.124 -1.977 -2.319 1.00 84.22 N ATOM 1080 H HIS A 119 -0.064 -5.185 2.447 1.00 0.00 H ATOM 1081 N THR A 120 -2.795 -5.962 0.579 1.00 54.80 N ATOM 1082 CA THR A 120 -3.873 -6.643 -0.136 1.00 56.22 C ATOM 1083 C THR A 120 -4.997 -7.036 0.807 1.00 59.03 C ATOM 1084 O THR A 120 -6.186 -6.881 0.487 1.00 51.99 O ATOM 1085 CB THR A 120 -3.333 -7.901 -0.819 1.00 67.50 C ATOM 1086 OG1 THR A 120 -2.273 -7.565 -1.716 1.00 56.68 O ATOM 1087 CG2 THR A 120 -4.427 -8.605 -1.580 1.00 57.85 C ATOM 1088 HG1 THR A 120 -1.540 -7.132 -1.211 1.00 0.00 H ATOM 1089 H THR A 120 -1.899 -6.461 0.754 1.00 0.00 H ATOM 1090 N CYS A 121 -4.635 -7.637 1.941 1.00 62.28 N ATOM 1091 CA CYS A 121 -5.600 -7.917 2.998 1.00 51.59 C ATOM 1092 C CYS A 121 -6.361 -6.658 3.384 1.00 44.99 C ATOM 1093 O CYS A 121 -7.587 -6.685 3.567 1.00 47.45 O ATOM 1094 CB CYS A 121 -4.855 -8.496 4.201 1.00 65.10 C ATOM 1095 SG CYS A 121 -5.762 -9.730 5.179 1.00 91.12 S ATOM 1096 H CYS A 121 -3.641 -7.913 2.075 1.00 0.00 H ATOM 1097 N GLY A 122 -5.658 -5.535 3.474 1.00 44.09 N ATOM 1098 CA GLY A 122 -6.325 -4.283 3.798 1.00 53.26 C ATOM 1099 C GLY A 122 -7.357 -3.868 2.763 1.00 46.84 C ATOM 1100 O GLY A 122 -8.479 -3.479 3.114 1.00 38.45 O ATOM 1101 H GLY A 122 -4.631 -5.550 3.313 1.00 0.00 H ATOM 1102 N LEU A 123 -6.976 -3.899 1.471 1.00 50.84 N ATOM 1103 CA LEU A 123 -7.894 -3.491 0.401 1.00 46.19 C ATOM 1104 C LEU A 123 -9.097 -4.416 0.352 1.00 42.38 C ATOM 1105 O LEU A 123 -10.251 -3.959 0.337 1.00 39.34 O ATOM 1106 CB LEU A 123 -7.180 -3.485 -0.967 1.00 48.73 C ATOM 1107 CG LEU A 123 -6.262 -2.309 -1.320 1.00 61.39 C ATOM 1108 CD1 LEU A 123 -5.409 -2.582 -2.578 1.00 56.43 C ATOM 1109 CD2 LEU A 123 -7.087 -1.057 -1.541 1.00 50.86 C ATOM 1110 H LEU A 123 -6.016 -4.217 1.228 1.00 0.00 H ATOM 1111 N ALA A 124 -8.830 -5.730 0.303 1.00 42.14 N ATOM 1112 CA ALA A 124 -9.871 -6.748 0.392 1.00 43.86 C ATOM 1113 C ALA A 124 -10.833 -6.440 1.530 1.00 46.46 C ATOM 1114 O ALA A 124 -12.051 -6.336 1.334 1.00 42.09 O ATOM 1115 CB ALA A 124 -9.219 -8.124 0.594 1.00 38.11 C ATOM 1116 H ALA A 124 -7.841 -6.035 0.197 1.00 0.00 H ATOM 1117 N ASN A 125 -10.292 -6.258 2.734 1.00 46.98 N ATOM 1118 CA ASN A 125 -11.149 -6.048 3.884 1.00 40.84 C ATOM 1119 C ASN A 125 -12.016 -4.809 3.708 1.00 41.51 C ATOM 1120 O ASN A 125 -13.220 -4.835 3.999 1.00 39.33 O ATOM 1121 CB ASN A 125 -10.272 -5.961 5.121 1.00 57.33 C ATOM 1122 CG ASN A 125 -10.915 -6.592 6.303 1.00 65.78 C ATOM 1123 OD1 ASN A 125 -11.341 -5.890 7.233 1.00 67.05 O ATOM 1124 ND2 ASN A 125 -11.039 -7.933 6.268 1.00 57.49 N ATOM 1125 HD22 ASN A 125 -10.661 -8.469 5.461 1.00 0.00 H ATOM 1126 HD21 ASN A 125 -11.512 -8.432 7.048 1.00 0.00 H ATOM 1127 H ASN A 125 -9.258 -6.267 2.848 1.00 0.00 H ATOM 1128 N MET A 126 -11.448 -3.726 3.180 1.00 47.37 N ATOM 1129 CA MET A 126 -12.263 -2.538 2.962 1.00 45.67 C ATOM 1130 C MET A 126 -13.252 -2.730 1.819 1.00 44.48 C ATOM 1131 O MET A 126 -14.397 -2.275 1.911 1.00 49.94 O ATOM 1132 CB MET A 126 -11.400 -1.327 2.676 1.00 47.90 C ATOM 1133 CG MET A 126 -12.258 -0.159 2.197 1.00 51.09 C ATOM 1134 SD MET A 126 -11.602 1.380 2.790 1.00 76.32 S ATOM 1135 CE MET A 126 -10.126 1.448 1.785 1.00 51.09 C ATOM 1136 H MET A 126 -10.439 -3.728 2.927 1.00 0.00 H ATOM 1137 N PHE A 127 -12.821 -3.334 0.703 1.00 53.09 N ATOM 1138 CA PHE A 127 -13.755 -3.546 -0.402 1.00 42.46 C ATOM 1139 C PHE A 127 -14.964 -4.348 0.078 1.00 49.94 C ATOM 1140 O PHE A 127 -16.111 -3.940 -0.121 1.00 53.85 O ATOM 1141 CB PHE A 127 -13.047 -4.253 -1.562 1.00 53.85 C ATOM 1142 CG PHE A 127 -13.754 -4.101 -2.910 1.00 54.02 C ATOM 1143 CD1 PHE A 127 -14.179 -2.858 -3.362 1.00 51.98 C ATOM 1144 CD2 PHE A 127 -13.989 -5.200 -3.714 1.00 53.79 C ATOM 1145 CE1 PHE A 127 -14.825 -2.717 -4.592 1.00 60.41 C ATOM 1146 CE2 PHE A 127 -14.643 -5.048 -4.951 1.00 59.32 C ATOM 1147 CZ PHE A 127 -15.052 -3.801 -5.375 1.00 50.97 C ATOM 1148 H PHE A 127 -11.833 -3.649 0.624 1.00 0.00 H ATOM 1149 N ALA A 128 -14.711 -5.468 0.767 1.00 46.49 N ATOM 1150 CA ALA A 128 -15.766 -6.339 1.287 1.00 44.76 C ATOM 1151 C ALA A 128 -16.629 -5.652 2.339 1.00 51.82 C ATOM 1152 O ALA A 128 -17.846 -5.531 2.165 1.00 55.13 O ATOM 1153 CB ALA A 128 -15.144 -7.599 1.886 1.00 45.61 C ATOM 1154 H ALA A 128 -13.720 -5.731 0.940 1.00 0.00 H ATOM 1155 N TYR A 129 -16.028 -5.229 3.468 1.00 47.22 N ATOM 1156 CA TYR A 129 -16.805 -4.812 4.637 1.00 49.92 C ATOM 1157 C TYR A 129 -16.899 -3.291 4.783 1.00 56.07 C ATOM 1158 O TYR A 129 -17.393 -2.810 5.813 1.00 65.17 O ATOM 1159 CB TYR A 129 -16.235 -5.460 5.929 1.00 35.09 C ATOM 1160 CG TYR A 129 -16.027 -6.968 5.778 1.00 33.13 C ATOM 1161 CD1 TYR A 129 -17.103 -7.799 5.544 1.00 42.62 C ATOM 1162 CD2 TYR A 129 -14.761 -7.555 5.868 1.00 34.97 C ATOM 1163 CE1 TYR A 129 -16.935 -9.181 5.374 1.00 44.49 C ATOM 1164 CE2 TYR A 129 -14.588 -8.924 5.732 1.00 44.15 C ATOM 1165 CZ TYR A 129 -15.690 -9.734 5.471 1.00 48.29 C ATOM 1166 OH TYR A 129 -15.570 -11.097 5.281 1.00 43.81 O ATOM 1167 HH TYR A 129 -16.464 -11.485 5.110 1.00 0.00 H ATOM 1168 H TYR A 129 -14.989 -5.198 3.510 1.00 0.00 H ATOM 1169 N HIS A 130 -16.458 -2.530 3.777 1.00 45.94 N ATOM 1170 CA HIS A 130 -16.495 -1.072 3.785 1.00 44.17 C ATOM 1171 C HIS A 130 -16.074 -0.492 5.131 1.00 52.12 C ATOM 1172 O HIS A 130 -16.869 0.174 5.804 1.00 56.44 O ATOM 1173 CB HIS A 130 -17.887 -0.569 3.410 1.00 55.40 C ATOM 1174 CG HIS A 130 -17.999 0.931 3.346 1.00 66.08 C ATOM 1175 ND1 HIS A 130 -18.568 1.683 4.356 1.00 80.64 N ATOM 1176 CD2 HIS A 130 -17.613 1.819 2.395 1.00 69.60 C ATOM 1177 CE1 HIS A 130 -18.532 2.964 4.028 1.00 77.30 C ATOM 1178 NE2 HIS A 130 -17.957 3.075 2.843 1.00 63.99 N ATOM 1179 H HIS A 130 -16.065 -3.005 2.939 1.00 0.00 H ATOM 1180 N THR A 131 -14.819 -0.709 5.522 1.00 47.52 N ATOM 1181 CA THR A 131 -14.344 -0.226 6.802 1.00 45.09 C ATOM 1182 C THR A 131 -12.829 -0.092 6.797 1.00 51.42 C ATOM 1183 O THR A 131 -12.124 -0.973 6.307 1.00 56.49 O ATOM 1184 CB THR A 131 -14.763 -1.184 7.911 1.00 58.08 C ATOM 1185 OG1 THR A 131 -14.376 -0.655 9.204 1.00 60.95 O ATOM 1186 CG2 THR A 131 -14.124 -2.544 7.668 1.00 44.08 C ATOM 1187 HG1 THR A 131 -14.818 0.219 9.347 1.00 0.00 H ATOM 1188 H THR A 131 -14.171 -1.233 4.899 1.00 0.00 H ATOM 1189 N LEU A 132 -12.334 0.977 7.427 1.00 56.76 N ATOM 1190 CA LEU A 132 -10.900 1.152 7.584 1.00 36.77 C ATOM 1191 C LEU A 132 -10.310 0.201 8.620 1.00 50.63 C ATOM 1192 O LEU A 132 -9.085 0.105 8.735 1.00 56.55 O ATOM 1193 CB LEU A 132 -10.629 2.610 7.930 1.00 40.20 C ATOM 1194 CG LEU A 132 -11.338 3.653 7.061 1.00 50.70 C ATOM 1195 CD1 LEU A 132 -11.104 5.002 7.627 1.00 46.28 C ATOM 1196 CD2 LEU A 132 -10.851 3.641 5.615 1.00 51.10 C ATOM 1197 H LEU A 132 -12.983 1.693 7.810 1.00 0.00 H ATOM 1198 N GLY A 133 -11.138 -0.520 9.365 1.00 43.49 N ATOM 1199 CA GLY A 133 -10.654 -1.519 10.291 1.00 47.91 C ATOM 1200 C GLY A 133 -10.765 -1.115 11.746 1.00 49.09 C ATOM 1201 O GLY A 133 -10.380 -1.896 12.618 1.00 44.91 O ATOM 1202 H GLY A 133 -12.162 -0.362 9.281 1.00 0.00 H ATOM 1203 N TYR A 134 -11.271 0.084 12.021 1.00 46.83 N ATOM 1204 CA TYR A 134 -11.372 0.623 13.363 1.00 54.80 C ATOM 1205 C TYR A 134 -12.642 1.449 13.420 1.00 55.36 C ATOM 1206 O TYR A 134 -12.936 2.210 12.487 1.00 56.86 O ATOM 1207 CB TYR A 134 -10.163 1.475 13.684 1.00 44.39 C ATOM 1208 CG TYR A 134 -8.837 0.772 13.503 1.00 47.30 C ATOM 1209 CD1 TYR A 134 -8.283 0.067 14.535 1.00 46.37 C ATOM 1210 CD2 TYR A 134 -8.105 0.881 12.324 1.00 49.62 C ATOM 1211 CE1 TYR A 134 -7.080 -0.554 14.411 1.00 38.30 C ATOM 1212 CE2 TYR A 134 -6.863 0.252 12.199 1.00 52.41 C ATOM 1213 CZ TYR A 134 -6.371 -0.456 13.278 1.00 46.93 C ATOM 1214 OH TYR A 134 -5.161 -1.107 13.234 1.00 62.62 O ATOM 1215 HH TYR A 134 -4.994 -1.550 14.103 1.00 0.00 H ATOM 1216 H TYR A 134 -11.613 0.667 11.230 1.00 0.00 H ATOM 1217 N GLU A 135 -13.412 1.261 14.487 1.00 48.55 N ATOM 1218 CA GLU A 135 -14.740 1.852 14.529 1.00 47.57 C ATOM 1219 C GLU A 135 -14.657 3.365 14.565 1.00 52.87 C ATOM 1220 O GLU A 135 -15.495 4.059 13.973 1.00 59.52 O ATOM 1221 CB GLU A 135 -15.517 1.318 15.733 1.00 61.60 C ATOM 1222 CG GLU A 135 -16.749 2.159 16.065 1.00 68.78 C ATOM 1223 CD GLU A 135 -17.856 1.371 16.754 1.00 77.79 C ATOM 1224 OE1 GLU A 135 -17.608 0.845 17.867 1.00 79.10 O ATOM 1225 OE2 GLU A 135 -18.970 1.276 16.177 1.00 80.05 O ATOM 1226 H GLU A 135 -13.067 0.694 15.288 1.00 0.00 H ATOM 1227 N ASP A 136 -13.638 3.903 15.223 1.00 41.81 N ATOM 1228 CA ASP A 136 -13.614 5.341 15.428 1.00 49.94 C ATOM 1229 C ASP A 136 -13.247 6.045 14.142 1.00 45.29 C ATOM 1230 O ASP A 136 -13.913 7.005 13.736 1.00 48.55 O ATOM 1231 CB ASP A 136 -12.642 5.701 16.569 1.00 46.61 C ATOM 1232 CG ASP A 136 -11.262 5.148 16.348 1.00 49.91 C ATOM 1233 OD1 ASP A 136 -11.140 4.005 15.849 1.00 47.27 O ATOM 1234 OD2 ASP A 136 -10.294 5.856 16.666 1.00 51.27 O ATOM 1235 H ASP A 136 -12.869 3.305 15.586 1.00 0.00 H ATOM 1236 N LEU A 137 -12.216 5.542 13.456 1.00 51.95 N ATOM 1237 CA LEU A 137 -11.831 6.100 12.164 1.00 51.04 C ATOM 1238 C LEU A 137 -12.999 6.103 11.189 1.00 49.64 C ATOM 1239 O LEU A 137 -13.149 7.033 10.379 1.00 51.56 O ATOM 1240 CB LEU A 137 -10.658 5.306 11.599 1.00 50.42 C ATOM 1241 CG LEU A 137 -9.402 5.324 12.487 1.00 44.69 C ATOM 1242 CD1 LEU A 137 -8.307 4.574 11.827 1.00 47.92 C ATOM 1243 CD2 LEU A 137 -8.897 6.722 12.825 1.00 44.55 C ATOM 1244 H LEU A 137 -11.681 4.742 13.849 1.00 0.00 H ATOM 1245 N ASP A 138 -13.841 5.073 11.253 1.00 50.82 N ATOM 1246 CA ASP A 138 -15.003 5.027 10.370 1.00 52.91 C ATOM 1247 C ASP A 138 -16.006 6.110 10.744 1.00 57.00 C ATOM 1248 O ASP A 138 -16.470 6.864 9.880 1.00 59.46 O ATOM 1249 CB ASP A 138 -15.643 3.639 10.416 1.00 39.86 C ATOM 1250 CG ASP A 138 -14.839 2.602 9.669 1.00 51.39 C ATOM 1251 OD1 ASP A 138 -14.099 2.972 8.717 1.00 46.93 O ATOM 1252 OD2 ASP A 138 -14.950 1.411 10.036 1.00 49.30 O ATOM 1253 H ASP A 138 -13.671 4.303 11.931 1.00 0.00 H ATOM 1254 N GLU A 139 -16.330 6.224 12.041 1.00 62.66 N ATOM 1255 CA GLU A 139 -17.206 7.299 12.491 1.00 57.16 C ATOM 1256 C GLU A 139 -16.661 8.642 12.049 1.00 59.20 C ATOM 1257 O GLU A 139 -17.409 9.502 11.565 1.00 68.50 O ATOM 1258 CB GLU A 139 -17.357 7.243 14.016 1.00 73.22 C ATOM 1259 CG GLU A 139 -18.175 8.412 14.631 1.00100.78 C ATOM 1260 CD GLU A 139 -18.753 8.115 16.028 1.00 98.14 C ATOM 1261 OE1 GLU A 139 -18.055 7.490 16.862 1.00102.18 O ATOM 1262 OE2 GLU A 139 -19.913 8.517 16.284 1.00 85.50 O ATOM 1263 H GLU A 139 -15.954 5.541 12.730 1.00 0.00 H ATOM 1264 N LEU A 140 -15.347 8.823 12.170 1.00 60.68 N ATOM 1265 CA LEU A 140 -14.724 10.087 11.778 1.00 62.09 C ATOM 1266 C LEU A 140 -14.829 10.319 10.279 1.00 58.17 C ATOM 1267 O LEU A 140 -15.020 11.457 9.830 1.00 63.88 O ATOM 1268 CB LEU A 140 -13.258 10.090 12.228 1.00 56.05 C ATOM 1269 CG LEU A 140 -12.501 11.420 12.280 1.00 53.09 C ATOM 1270 CD1 LEU A 140 -13.198 12.430 13.173 1.00 53.14 C ATOM 1271 CD2 LEU A 140 -11.093 11.184 12.778 1.00 39.94 C ATOM 1272 H LEU A 140 -14.756 8.055 12.548 1.00 0.00 H ATOM 1273 N GLN A 141 -14.686 9.253 9.487 1.00 65.19 N ATOM 1274 CA GLN A 141 -14.735 9.384 8.028 1.00 59.10 C ATOM 1275 C GLN A 141 -16.123 9.828 7.562 1.00 58.20 C ATOM 1276 O GLN A 141 -16.243 10.746 6.738 1.00 54.11 O ATOM 1277 CB GLN A 141 -14.312 8.049 7.402 1.00 53.10 C ATOM 1278 CG GLN A 141 -13.810 8.098 5.967 1.00 54.78 C ATOM 1279 CD GLN A 141 -12.688 9.066 5.732 1.00 60.16 C ATOM 1280 OE1 GLN A 141 -12.899 10.285 5.667 1.00 60.84 O ATOM 1281 NE2 GLN A 141 -11.481 8.531 5.558 1.00 57.54 N ATOM 1282 HE22 GLN A 141 -11.355 7.501 5.622 1.00 0.00 H ATOM 1283 HE21 GLN A 141 -10.665 9.143 5.358 1.00 0.00 H ATOM 1284 H GLN A 141 -14.538 8.316 9.912 1.00 0.00 H ATOM 1285 N LYS A 142 -17.184 9.223 8.123 1.00 67.60 N ATOM 1286 CA LYS A 142 -18.571 9.538 7.782 1.00 69.72 C ATOM 1287 C LYS A 142 -19.123 10.738 8.551 1.00 72.39 C ATOM 1288 O LYS A 142 -20.324 10.771 8.854 1.00 74.48 O ATOM 1289 CB LYS A 142 -19.459 8.318 8.036 1.00 64.94 C ATOM 1290 H LYS A 142 -17.009 8.490 8.840 1.00 0.00 H ATOM 1291 N GLU A 143 -18.295 11.732 8.853 1.00 67.85 N ATOM 1292 CA GLU A 143 -18.705 12.870 9.669 1.00 72.77 C ATOM 1293 C GLU A 143 -17.558 13.870 9.756 1.00 73.28 C ATOM 1294 O GLU A 143 -16.930 14.015 10.817 1.00 70.64 O ATOM 1295 CB GLU A 143 -19.123 12.400 11.071 1.00 89.38 C ATOM 1296 CG GLU A 143 -19.398 13.497 12.123 1.00 95.17 C ATOM 1297 CD GLU A 143 -20.720 14.233 11.930 1.00109.58 C ATOM 1298 OE1 GLU A 143 -21.041 14.612 10.776 1.00112.44 O ATOM 1299 OE2 GLU A 143 -21.434 14.433 12.951 1.00112.03 O ATOM 1300 H GLU A 143 -17.319 11.698 8.495 1.00 0.00 H ATOM 1301 N PRO A 144 -17.254 14.573 8.668 1.00 67.50 N ATOM 1302 CA PRO A 144 -16.067 15.426 8.649 1.00 65.37 C ATOM 1303 C PRO A 144 -16.111 16.529 9.700 1.00 65.26 C ATOM 1304 O PRO A 144 -17.177 16.977 10.141 1.00 63.85 O ATOM 1305 CB PRO A 144 -16.085 15.997 7.228 1.00 60.88 C ATOM 1306 CG PRO A 144 -16.705 14.896 6.449 1.00 62.73 C ATOM 1307 CD PRO A 144 -17.823 14.427 7.317 1.00 62.82 C ATOM 1308 N GLN A 145 -14.910 16.988 10.079 1.00 58.16 N ATOM 1309 CA GLN A 145 -14.781 17.969 11.150 1.00 64.93 C ATOM 1310 C GLN A 145 -13.339 18.439 11.322 1.00 61.04 C ATOM 1311 O GLN A 145 -12.409 17.771 10.845 1.00 57.52 O ATOM 1312 CB GLN A 145 -15.306 17.379 12.461 1.00 54.60 C ATOM 1313 CG GLN A 145 -14.673 16.062 12.887 1.00 56.20 C ATOM 1314 CD GLN A 145 -15.413 15.480 14.028 1.00 59.70 C ATOM 1315 OE1 GLN A 145 -15.204 15.847 15.206 1.00 61.26 O ATOM 1316 NE2 GLN A 145 -16.334 14.607 13.707 1.00 61.89 N ATOM 1317 HE22 GLN A 145 -16.468 14.335 12.712 1.00 0.00 H ATOM 1318 HE21 GLN A 145 -16.931 14.186 14.447 1.00 0.00 H ATOM 1319 H GLN A 145 -14.055 16.638 9.601 1.00 0.00 H ATOM 1320 N PRO A 146 -13.105 19.576 11.981 1.00 59.33 N ATOM 1321 CA PRO A 146 -11.724 19.990 12.240 1.00 57.24 C ATOM 1322 C PRO A 146 -11.126 19.127 13.336 1.00 51.93 C ATOM 1323 O PRO A 146 -11.828 18.420 14.062 1.00 46.04 O ATOM 1324 CB PRO A 146 -11.861 21.449 12.673 1.00 64.51 C ATOM 1325 CG PRO A 146 -13.195 21.516 13.316 1.00 60.30 C ATOM 1326 CD PRO A 146 -14.065 20.454 12.677 1.00 58.41 C ATOM 1327 N LEU A 147 -9.800 19.134 13.399 1.00 51.46 N ATOM 1328 CA LEU A 147 -9.077 18.331 14.368 1.00 48.18 C ATOM 1329 C LEU A 147 -8.033 19.201 15.051 1.00 57.27 C ATOM 1330 O LEU A 147 -7.605 20.243 14.524 1.00 52.05 O ATOM 1331 CB LEU A 147 -8.389 17.100 13.720 1.00 51.41 C ATOM 1332 CG LEU A 147 -9.255 15.935 13.203 1.00 50.00 C ATOM 1333 CD1 LEU A 147 -8.409 14.733 12.774 1.00 40.64 C ATOM 1334 CD2 LEU A 147 -10.260 15.489 14.240 1.00 47.59 C ATOM 1335 H LEU A 147 -9.265 19.731 12.736 1.00 0.00 H ATOM 1336 N VAL A 148 -7.624 18.759 16.245 1.00 46.58 N ATOM 1337 CA VAL A 148 -6.486 19.361 16.922 1.00 54.00 C ATOM 1338 C VAL A 148 -5.416 18.300 17.139 1.00 42.90 C ATOM 1339 O VAL A 148 -5.698 17.149 17.499 1.00 40.39 O ATOM 1340 CB VAL A 148 -6.849 20.048 18.257 1.00 49.23 C ATOM 1341 CG1 VAL A 148 -5.693 20.926 18.691 1.00 58.16 C ATOM 1342 CG2 VAL A 148 -8.073 20.907 18.097 1.00 55.25 C ATOM 1343 H VAL A 148 -8.129 17.970 16.698 1.00 0.00 H ATOM 1344 N PHE A 149 -4.191 18.715 16.879 1.00 46.82 N ATOM 1345 CA PHE A 149 -2.999 17.913 16.993 1.00 41.57 C ATOM 1346 C PHE A 149 -2.128 18.591 18.030 1.00 48.50 C ATOM 1347 O PHE A 149 -1.879 19.798 17.941 1.00 43.20 O ATOM 1348 CB PHE A 149 -2.277 17.847 15.641 1.00 49.27 C ATOM 1349 CG PHE A 149 -3.139 17.302 14.521 1.00 46.77 C ATOM 1350 CD1 PHE A 149 -3.433 15.952 14.450 1.00 45.11 C ATOM 1351 CD2 PHE A 149 -3.664 18.142 13.557 1.00 46.44 C ATOM 1352 CE1 PHE A 149 -4.245 15.450 13.430 1.00 52.84 C ATOM 1353 CE2 PHE A 149 -4.466 17.650 12.526 1.00 43.73 C ATOM 1354 CZ PHE A 149 -4.754 16.313 12.449 1.00 42.35 C ATOM 1355 H PHE A 149 -4.076 19.700 16.567 1.00 0.00 H ATOM 1356 N VAL A 150 -1.709 17.845 19.039 1.00 49.86 N ATOM 1357 CA VAL A 150 -0.690 18.327 19.950 1.00 39.10 C ATOM 1358 C VAL A 150 0.589 17.601 19.604 1.00 32.74 C ATOM 1359 O VAL A 150 0.626 16.368 19.582 1.00 44.11 O ATOM 1360 CB VAL A 150 -1.101 18.143 21.414 1.00 53.17 C ATOM 1361 CG1 VAL A 150 0.028 18.555 22.365 1.00 44.64 C ATOM 1362 CG2 VAL A 150 -2.323 18.985 21.668 1.00 54.79 C ATOM 1363 H VAL A 150 -2.117 16.899 19.181 1.00 0.00 H ATOM 1364 N ILE A 151 1.618 18.359 19.275 1.00 38.59 N ATOM 1365 CA ILE A 151 2.849 17.803 18.737 1.00 45.20 C ATOM 1366 C ILE A 151 3.978 18.235 19.645 1.00 39.87 C ATOM 1367 O ILE A 151 4.088 19.411 20.012 1.00 43.77 O ATOM 1368 CB ILE A 151 3.117 18.247 17.276 1.00 39.33 C ATOM 1369 CG1 ILE A 151 2.046 17.694 16.326 1.00 37.14 C ATOM 1370 CG2 ILE A 151 4.506 17.756 16.801 1.00 39.25 C ATOM 1371 CD1 ILE A 151 2.229 18.091 14.888 1.00 44.55 C ATOM 1372 H ILE A 151 1.546 19.388 19.405 1.00 0.00 H ATOM 1373 N GLU A 152 4.822 17.280 19.987 1.00 36.42 N ATOM 1374 CA GLU A 152 5.947 17.504 20.872 1.00 44.76 C ATOM 1375 C GLU A 152 7.160 17.176 20.030 1.00 43.79 C ATOM 1376 O GLU A 152 7.481 16.003 19.813 1.00 43.85 O ATOM 1377 CB GLU A 152 5.865 16.641 22.141 1.00 41.60 C ATOM 1378 CG GLU A 152 7.131 16.647 22.973 1.00 48.70 C ATOM 1379 CD GLU A 152 7.057 15.711 24.221 1.00 67.26 C ATOM 1380 OE1 GLU A 152 5.977 15.088 24.508 1.00 56.84 O ATOM 1381 OE2 GLU A 152 8.115 15.591 24.893 1.00 55.21 O ATOM 1382 H GLU A 152 4.673 16.324 19.604 1.00 0.00 H ATOM 1383 N LEU A 153 7.824 18.203 19.545 1.00 44.33 N ATOM 1384 CA LEU A 153 8.953 17.978 18.674 1.00 45.90 C ATOM 1385 C LEU A 153 10.145 17.518 19.506 1.00 44.47 C ATOM 1386 O LEU A 153 10.642 18.258 20.357 1.00 49.14 O ATOM 1387 CB LEU A 153 9.267 19.243 17.874 1.00 49.58 C ATOM 1388 CG LEU A 153 10.541 19.114 17.037 1.00 46.46 C ATOM 1389 CD1 LEU A 153 10.469 17.892 16.132 1.00 47.93 C ATOM 1390 CD2 LEU A 153 10.799 20.370 16.216 1.00 52.93 C ATOM 1391 H LEU A 153 7.537 19.173 19.788 1.00 0.00 H ATOM 1392 N LEU A 154 10.616 16.302 19.241 1.00 40.93 N ATOM 1393 CA LEU A 154 11.652 15.687 20.067 1.00 49.58 C ATOM 1394 C LEU A 154 13.037 15.946 19.505 1.00 50.05 C ATOM 1395 O LEU A 154 13.833 16.680 20.104 1.00 64.82 O ATOM 1396 CB LEU A 154 11.400 14.181 20.196 1.00 62.29 C ATOM 1397 CG LEU A 154 10.120 13.684 20.894 1.00 61.52 C ATOM 1398 CD1 LEU A 154 10.188 12.168 21.040 1.00 59.93 C ATOM 1399 CD2 LEU A 154 9.864 14.354 22.250 1.00 50.23 C ATOM 1400 H LEU A 154 10.238 15.777 18.427 1.00 0.00 H ATOM 1401 N GLN A 155 13.355 15.330 18.375 1.00 64.10 N ATOM 1402 CA GLN A 155 14.691 15.401 17.814 1.00 58.56 C ATOM 1403 C GLN A 155 14.610 15.602 16.311 1.00 61.82 C ATOM 1404 O GLN A 155 13.618 15.236 15.670 1.00 61.94 O ATOM 1405 CB GLN A 155 15.449 14.126 18.138 1.00 60.42 C ATOM 1406 CG GLN A 155 16.934 14.187 18.011 1.00 60.31 C ATOM 1407 CD GLN A 155 17.531 12.836 18.279 1.00 60.17 C ATOM 1408 OE1 GLN A 155 17.540 11.966 17.408 1.00 60.31 O ATOM 1409 NE2 GLN A 155 17.997 12.628 19.497 1.00 66.69 N ATOM 1410 HE22 GLN A 155 17.969 13.392 20.202 1.00 0.00 H ATOM 1411 HE21 GLN A 155 18.392 11.700 19.751 1.00 0.00 H ATOM 1412 H GLN A 155 12.626 14.780 17.877 1.00 0.00 H ATOM 1413 N VAL A 156 15.667 16.205 15.761 1.00 69.03 N ATOM 1414 CA VAL A 156 15.868 16.322 14.321 1.00 66.85 C ATOM 1415 C VAL A 156 17.275 15.838 14.011 1.00 71.07 C ATOM 1416 O VAL A 156 18.237 16.256 14.664 1.00 77.29 O ATOM 1417 CB VAL A 156 15.658 17.761 13.819 1.00 55.69 C ATOM 1418 CG1 VAL A 156 16.017 17.884 12.354 1.00 63.61 C ATOM 1419 CG2 VAL A 156 14.219 18.151 14.007 1.00 56.64 C ATOM 1420 H VAL A 156 16.385 16.613 16.393 1.00 0.00 H ATOM 1421 N ASP A 157 17.378 14.910 13.067 1.00 73.79 N ATOM 1422 CA ASP A 157 18.632 14.469 12.479 1.00 75.29 C ATOM 1423 C ASP A 157 18.679 14.943 11.034 1.00 73.92 C ATOM 1424 O ASP A 157 17.693 15.444 10.485 1.00 72.54 O ATOM 1425 CB ASP A 157 18.762 12.943 12.533 1.00 76.20 C ATOM 1426 CG ASP A 157 18.474 12.388 13.904 1.00 72.86 C ATOM 1427 OD1 ASP A 157 18.953 13.016 14.867 1.00 69.95 O ATOM 1428 OD2 ASP A 157 17.771 11.346 14.010 1.00 66.05 O ATOM 1429 H ASP A 157 16.501 14.468 12.725 1.00 0.00 H ATOM 1430 N ALA A 158 19.827 14.772 10.404 1.00 75.02 N ATOM 1431 CA ALA A 158 19.978 15.183 9.022 1.00 72.51 C ATOM 1432 C ALA A 158 20.595 14.045 8.229 1.00 66.58 C ATOM 1433 O ALA A 158 21.171 13.118 8.807 1.00 72.67 O ATOM 1434 CB ALA A 158 20.826 16.455 8.923 1.00 71.56 C ATOM 1435 H ALA A 158 20.630 14.339 10.904 1.00 0.00 H ATOM 1436 N PRO A 159 20.447 14.056 6.891 1.00 80.38 N ATOM 1437 CA PRO A 159 20.865 12.911 6.060 1.00 73.12 C ATOM 1438 C PRO A 159 22.294 12.424 6.320 1.00 67.00 C ATOM 1439 O PRO A 159 22.413 11.326 6.875 1.00 69.94 O ATOM 1440 CB PRO A 159 20.716 13.454 4.629 1.00 68.04 C ATOM 1441 CG PRO A 159 19.606 14.445 4.720 1.00 63.84 C ATOM 1442 CD PRO A 159 19.779 15.103 6.088 1.00 70.99 C TER 1443 PRO A 159 HETATM 1444 C1 FAR A 1 1.827 6.604 6.295 1.00 -0.06 C HETATM 1445 C2 FAR A 1 2.991 7.398 5.788 1.00 -0.11 C HETATM 1446 C3 FAR A 1 3.533 8.390 6.510 1.00 -0.08 C HETATM 1447 C5 FAR A 1 2.979 8.741 7.908 1.00 -0.03 C HETATM 1448 C6 FAR A 1 3.082 10.272 8.072 1.00 -0.04 C HETATM 1449 C7 FAR A 1 1.986 10.785 8.914 1.00 -0.11 C HETATM 1450 C8 FAR A 1 2.107 10.992 10.246 1.00 -0.08 C HETATM 1451 C9 FAR A 1 0.908 11.519 11.041 1.00 -0.03 C HETATM 1452 C11 FAR A 1 1.319 12.650 11.990 1.00 -0.04 C HETATM 1453 C12 FAR A 1 0.581 13.833 11.556 1.00 -0.11 C HETATM 1454 C13 FAR A 1 0.179 14.792 12.362 1.00 -0.09 C HETATM 1455 C14 FAR A 1 0.441 14.754 13.785 1.00 -0.04 C HETATM 1456 H15 FAR A 1 0.018 15.651 14.260 1.00 0.04 H HETATM 1457 H16 FAR A 1 1.527 14.726 13.957 1.00 0.04 H HETATM 1458 H17 FAR A 1 -0.023 13.856 14.219 1.00 0.04 H HETATM 1459 C15 FAR A 1 -0.558 15.988 11.821 1.00 -0.04 C HETATM 1460 H18 FAR A 1 -0.684 15.880 10.734 1.00 0.04 H HETATM 1461 H19 FAR A 1 0.018 16.901 12.034 1.00 0.04 H HETATM 1462 H20 FAR A 1 -1.546 16.057 12.300 1.00 0.04 H HETATM 1463 H14 FAR A 1 0.348 13.928 10.496 1.00 0.02 H HETATM 1464 H12 FAR A 1 2.402 12.830 11.922 1.00 0.04 H HETATM 1465 H13 FAR A 1 1.054 12.394 13.026 1.00 0.04 H HETATM 1466 H10 FAR A 1 0.480 10.695 11.631 1.00 0.04 H HETATM 1467 H11 FAR A 1 0.152 11.899 10.338 1.00 0.04 H HETATM 1468 C10 FAR A 1 3.349 10.654 11.045 1.00 -0.04 C HETATM 1469 H24 FAR A 1 4.134 10.289 10.366 1.00 0.04 H HETATM 1470 H25 FAR A 1 3.110 9.873 11.782 1.00 0.04 H HETATM 1471 H26 FAR A 1 3.706 11.554 11.567 1.00 0.04 H HETATM 1472 H9 FAR A 1 1.031 11.009 8.441 1.00 0.02 H HETATM 1473 H7 FAR A 1 3.026 10.745 7.080 1.00 0.04 H HETATM 1474 H8 FAR A 1 4.045 10.520 8.543 1.00 0.04 H HETATM 1475 H5 FAR A 1 3.573 8.239 8.685 1.00 0.04 H HETATM 1476 H6 FAR A 1 1.929 8.424 7.987 1.00 0.04 H HETATM 1477 C4 FAR A 1 4.711 9.171 5.999 1.00 -0.04 C HETATM 1478 H21 FAR A 1 4.986 8.807 4.998 1.00 0.04 H HETATM 1479 H22 FAR A 1 5.562 9.041 6.684 1.00 0.04 H HETATM 1480 H23 FAR A 1 4.447 10.237 5.941 1.00 0.04 H HETATM 1481 H4 FAR A 1 3.408 7.164 4.809 1.00 0.02 H HETATM 1482 H1 FAR A 1 1.546 5.847 5.548 1.00 0.03 H HETATM 1483 H2 FAR A 1 0.975 7.276 6.475 1.00 0.03 H HETATM 1484 H3 FAR A 1 2.105 6.105 7.235 1.00 0.03 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1444 1445 1482 1483 1484 CONECT 1445 1444 1446 1481 CONECT 1446 1445 1447 1477 CONECT 1447 1446 1448 1475 1476 CONECT 1448 1447 1449 1473 1474 CONECT 1449 1448 1450 1472 CONECT 1450 1449 1451 1468 CONECT 1451 1450 1452 1466 1467 CONECT 1452 1451 1453 1464 1465 CONECT 1453 1452 1454 1463 CONECT 1454 1453 1455 1459 CONECT 1455 1454 1456 1457 1458 CONECT 1456 1455 CONECT 1457 1455 CONECT 1458 1455 CONECT 1459 1454 1460 1461 1462 CONECT 1460 1459 CONECT 1461 1459 CONECT 1462 1459 CONECT 1463 1453 CONECT 1464 1452 CONECT 1465 1452 CONECT 1466 1451 CONECT 1467 1451 CONECT 1468 1450 1469 1470 1471 CONECT 1469 1468 CONECT 1470 1468 CONECT 1471 1468 CONECT 1472 1449 CONECT 1473 1448 CONECT 1474 1448 CONECT 1475 1447 CONECT 1476 1447 CONECT 1477 1446 1478 1479 1480 CONECT 1478 1477 CONECT 1479 1477 CONECT 1480 1477 CONECT 1481 1445 CONECT 1482 1444 CONECT 1483 1444 CONECT 1484 1444 MASTER 0 0 0 0 0 0 0 0 1483 1 45 12 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 5u9i
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5v35
RCSB PDB
PDBbind
169aa, >5V35_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5v35
RCSB PDB
PDBbind
FAR
Entry Information
PDB ID
5u9i
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1)
Ligand Name
FAR
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=49nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Proc. Natl. Acad. Sci. U.S.A. Vol. 114: pp. E6536-E6545
Ligand Properties
Formula
C
1
5
H
2
6
Molecular Weight
206.367
Exact Mass
206.203
No. of atoms
41
No. of bonds
40
Polar Surface Area
0
LOGP Value
6.01 (
Computed with XLOGP3
)
5.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 0
No. of Rings: 0
Canonical SMILES
C/C=C(\CC/C=C(/CCC=C(C)C)\C)/C
InChI String
InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,7-8,10-11H2,1-5H3/b14-6-,15-12+
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):
Q9NZN9
Entrez Gene ID
NCBI Entrez Gene ID:
23746
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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