Browse entries in the PDBbind-CN Database
HEADER 6IHT_COMPLEX COMPND 6IHT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 243 HIS MET GLU ALA GLN PHE PHE THR ASP THR GLY GLN HIS SEQRES 2 A 243 ARG ASP LYS ASN GLU ASP ALA GLY GLY ILE PHE TYR ASN SEQRES 3 A 243 GLN THR ASN GLN GLN LEU LEU VAL LEU CYS ASP GLY MET SEQRES 4 A 243 GLY GLY HIS LYS ALA GLY GLU VAL ALA SER LYS PHE VAL SEQRES 5 A 243 THR ASP GLU LEU LYS SER ARG PHE GLU ALA GLU ASN LEU SEQRES 6 A 243 ILE GLU GLN HIS GLN ALA GLU ASN TRP LEU ARG ASN ASN SEQRES 7 A 243 ILE LYS ASP ILE ASN PHE GLN LEU TYR HIS TYR ALA GLN SEQRES 8 A 243 GLU ASN ALA GLU TYR LYS GLY MET GLY THR THR CYS VAL SEQRES 9 A 243 CYS ALA LEU VAL PHE GLU LYS SER VAL VAL ILE ALA ASN SEQRES 10 A 243 VAL GLY ASP SER ARG ALA TYR VAL ILE ASN SER ARG GLN SEQRES 11 A 243 ILE GLU GLN ILE THR SER ASP HIS SER PHE VAL ASN HIS SEQRES 12 A 243 LEU VAL LEU THR GLY GLN ILE THR PRO GLU GLU ALA PHE SEQRES 13 A 243 THR HIS PRO GLN ARG ASN ILE ILE THR LYS VAL MET GLY SEQRES 14 A 243 THR ASP LYS ARG VAL SER PRO ASP LEU PHE ILE LYS ARG SEQRES 15 A 243 LEU ASN PHE TYR ASP TYR LEU LEU LEU ASN SER ASP GLY SEQRES 16 A 243 LEU THR ASP TYR VAL LYS ASP ASN GLU ILE LYS ARG LEU SEQRES 17 A 243 LEU VAL LYS GLU GLY THR ILE GLU ASP HIS GLY ASP GLN SEQRES 18 A 243 LEU MET GLN LEU ALA LEU ASP ASN HIS SER LYS ASP ASN SEQRES 19 A 243 VAL THR PHE ILE LEU ALA ALA ILE GLU HET MG A 1 1 HET MG A 2 1 HET MN A 3 1 HET MN A 4 1 HET MN A 5 1 HET MN A 6 1 HET GLY A 403 31 ATOM 1 N HIS A -1 13.946 -1.245 72.348 1.00 40.05 N ATOM 2 CA HIS A -1 12.736 -1.910 72.838 1.00 35.26 C ATOM 3 C HIS A -1 12.943 -2.559 74.231 1.00 40.00 C ATOM 4 O HIS A -1 14.060 -2.895 74.620 1.00 36.86 O ATOM 5 CB HIS A -1 12.276 -2.962 71.803 1.00 39.66 C ATOM 6 CG HIS A -1 13.038 -4.253 71.870 1.00 44.02 C ATOM 7 ND1 HIS A -1 12.442 -5.482 71.666 1.00 41.72 N ATOM 8 CD2 HIS A -1 14.342 -4.506 72.142 1.00 40.52 C ATOM 9 CE1 HIS A -1 13.346 -6.436 71.809 1.00 46.18 C ATOM 10 NE2 HIS A -1 14.507 -5.870 72.097 1.00 46.33 N ATOM 11 HN3 HIS A -1 14.715 -1.941 72.268 1.00 0.00 H ATOM 12 HN2 HIS A -1 14.223 -0.496 73.015 1.00 0.00 H ATOM 13 HN1 HIS A -1 13.757 -0.827 71.415 1.00 0.00 H ATOM 14 N MET A 0 11.877 -2.721 74.997 1.00 33.48 N ATOM 15 CA MET A 0 11.952 -3.377 76.294 1.00 29.06 C ATOM 16 C MET A 0 11.393 -4.796 76.230 1.00 24.28 C ATOM 17 O MET A 0 10.534 -5.102 75.394 1.00 30.06 O ATOM 18 CB MET A 0 11.154 -2.594 77.337 1.00 34.36 C ATOM 19 CG MET A 0 11.823 -1.349 77.776 1.00 38.44 C ATOM 20 SD MET A 0 10.859 -0.628 79.100 1.00 41.96 S ATOM 21 CE MET A 0 9.757 0.356 78.134 1.00 32.15 C ATOM 22 H MET A 0 10.957 -2.369 74.662 1.00 0.00 H ATOM 23 N GLU A 1 11.866 -5.660 77.134 1.00 27.75 N ATOM 24 CA GLU A 1 11.135 -6.892 77.390 1.00 22.73 C ATOM 25 C GLU A 1 9.760 -6.542 77.944 1.00 20.14 C ATOM 26 O GLU A 1 9.647 -5.929 79.007 1.00 24.51 O ATOM 27 CB GLU A 1 11.900 -7.763 78.376 1.00 27.12 C ATOM 28 CG GLU A 1 11.089 -8.854 78.999 1.00 48.23 C ATOM 29 CD GLU A 1 11.948 -9.990 79.529 1.00 64.05 C ATOM 30 OE1 GLU A 1 11.389 -10.924 80.134 1.00 68.22 O ATOM 31 OE2 GLU A 1 13.185 -9.966 79.344 1.00 70.96 O ATOM 32 H GLU A 1 12.746 -5.454 77.648 1.00 0.00 H ATOM 33 N ALA A 2 8.705 -6.888 77.212 1.00 19.45 N ATOM 34 CA ALA A 2 7.376 -6.444 77.611 1.00 17.05 C ATOM 35 C ALA A 2 6.375 -7.537 77.273 1.00 24.12 C ATOM 36 O ALA A 2 6.575 -8.310 76.330 1.00 25.03 O ATOM 37 CB ALA A 2 7.025 -5.142 76.906 1.00 21.35 C ATOM 38 H ALA A 2 8.828 -7.472 76.360 1.00 0.00 H ATOM 39 N GLN A 3 5.269 -7.573 78.012 1.00 17.89 N ATOM 40 CA GLN A 3 4.259 -8.575 77.711 1.00 18.40 C ATOM 41 C GLN A 3 2.874 -8.023 78.012 1.00 16.87 C ATOM 42 O GLN A 3 2.702 -7.236 78.945 1.00 17.38 O ATOM 43 CB GLN A 3 4.482 -9.854 78.521 1.00 19.40 C ATOM 44 CG GLN A 3 3.483 -10.991 78.187 1.00 22.20 C ATOM 45 CD GLN A 3 3.898 -12.329 78.790 1.00 26.76 C ATOM 46 OE1 GLN A 3 5.046 -12.514 79.212 1.00 29.43 O ATOM 47 NE2 GLN A 3 2.953 -13.291 78.814 1.00 32.56 N ATOM 48 HE22 GLN A 3 2.000 -13.093 78.449 1.00 0.00 H ATOM 49 HE21 GLN A 3 3.178 -14.231 79.198 1.00 0.00 H ATOM 50 H GLN A 3 5.130 -6.897 78.790 1.00 0.00 H ATOM 51 N PHE A 4 1.896 -8.421 77.186 1.00 16.36 N ATOM 52 CA PHE A 4 0.500 -7.999 77.289 1.00 17.93 C ATOM 53 C PHE A 4 -0.327 -9.075 77.993 1.00 19.17 C ATOM 54 O PHE A 4 -0.208 -10.262 77.683 1.00 19.76 O ATOM 55 CB PHE A 4 -0.031 -7.751 75.866 1.00 15.28 C ATOM 56 CG PHE A 4 -1.507 -7.395 75.782 1.00 16.27 C ATOM 57 CD1 PHE A 4 -1.890 -6.064 75.813 1.00 17.47 C ATOM 58 CD2 PHE A 4 -2.451 -8.381 75.595 1.00 22.78 C ATOM 59 CE1 PHE A 4 -3.233 -5.701 75.677 1.00 19.95 C ATOM 60 CE2 PHE A 4 -3.848 -8.029 75.463 1.00 22.04 C ATOM 61 CZ PHE A 4 -4.200 -6.699 75.515 1.00 19.21 C ATOM 62 H PHE A 4 2.148 -9.076 76.418 1.00 0.00 H ATOM 63 N PHE A 5 -1.156 -8.655 78.956 1.00 16.09 N ATOM 64 CA PHE A 5 -1.974 -9.557 79.760 1.00 16.44 C ATOM 65 C PHE A 5 -3.407 -9.064 79.757 1.00 16.21 C ATOM 66 O PHE A 5 -3.635 -7.865 79.922 1.00 17.47 O ATOM 67 CB PHE A 5 -1.474 -9.613 81.225 1.00 17.18 C ATOM 68 CG PHE A 5 -0.022 -10.010 81.349 1.00 18.58 C ATOM 69 CD1 PHE A 5 0.953 -9.054 81.228 1.00 18.84 C ATOM 70 CD2 PHE A 5 0.340 -11.326 81.622 1.00 23.36 C ATOM 71 CE1 PHE A 5 2.287 -9.396 81.331 1.00 19.19 C ATOM 72 CE2 PHE A 5 1.674 -11.693 81.734 1.00 22.73 C ATOM 73 CZ PHE A 5 2.648 -10.710 81.607 1.00 19.71 C ATOM 74 H PHE A 5 -1.220 -7.634 79.141 1.00 0.00 H ATOM 75 N THR A 6 -4.359 -9.969 79.576 1.00 17.71 N ATOM 76 CA THR A 6 -5.751 -9.516 79.577 1.00 18.41 C ATOM 77 C THR A 6 -6.660 -10.627 80.097 1.00 19.01 C ATOM 78 O THR A 6 -6.401 -11.820 79.920 1.00 20.99 O ATOM 79 CB THR A 6 -6.165 -9.031 78.176 1.00 20.40 C ATOM 80 OG1 THR A 6 -7.394 -8.286 78.276 1.00 19.29 O ATOM 81 CG2 THR A 6 -6.347 -10.193 77.206 1.00 18.90 C ATOM 82 HG1 THR A 6 -7.259 -7.507 78.871 1.00 0.00 H ATOM 83 H THR A 6 -4.123 -10.972 79.437 1.00 0.00 H ATOM 84 N ASP A 7 -7.763 -10.225 80.728 1.00 17.19 N ATOM 85 CA ASP A 7 -8.730 -11.201 81.220 1.00 21.19 C ATOM 86 C ASP A 7 -10.101 -10.549 81.178 1.00 21.58 C ATOM 87 O ASP A 7 -10.249 -9.389 81.577 1.00 20.23 O ATOM 88 CB ASP A 7 -8.411 -11.662 82.652 1.00 22.94 C ATOM 89 CG ASP A 7 -9.247 -12.859 83.091 1.00 29.96 C ATOM 90 OD1 ASP A 7 -8.844 -13.998 82.799 1.00 38.20 O ATOM 91 OD2 ASP A 7 -10.303 -12.668 83.729 1.00 31.08 O ATOM 92 H ASP A 7 -7.936 -9.209 80.871 1.00 0.00 H ATOM 93 N THR A 8 -11.090 -11.286 80.666 1.00 22.74 N ATOM 94 CA THR A 8 -12.445 -10.741 80.624 1.00 24.08 C ATOM 95 C THR A 8 -12.958 -10.432 82.021 1.00 28.13 C ATOM 96 O THR A 8 -13.705 -9.463 82.220 1.00 22.03 O ATOM 97 CB THR A 8 -13.348 -11.743 79.910 1.00 24.41 C ATOM 98 OG1 THR A 8 -12.894 -11.929 78.571 1.00 28.59 O ATOM 99 CG2 THR A 8 -14.795 -11.199 79.827 1.00 26.22 C ATOM 100 HG1 THR A 8 -11.966 -12.273 78.583 1.00 0.00 H ATOM 101 H THR A 8 -10.897 -12.240 80.300 1.00 0.00 H ATOM 102 N GLY A 9 -12.522 -11.205 83.017 1.00 29.98 N ATOM 103 CA GLY A 9 -13.067 -11.117 84.353 1.00 38.41 C ATOM 104 C GLY A 9 -14.396 -11.848 84.468 1.00 40.88 C ATOM 105 O GLY A 9 -14.914 -12.463 83.532 1.00 41.45 O ATOM 106 H GLY A 9 -11.766 -11.893 82.826 1.00 0.00 H ATOM 107 N GLN A 10 -14.977 -11.740 85.658 1.00 51.32 N ATOM 108 CA GLN A 10 -16.115 -12.586 86.002 1.00 54.14 C ATOM 109 C GLN A 10 -17.450 -12.033 85.520 1.00 53.94 C ATOM 110 O GLN A 10 -18.368 -12.813 85.231 1.00 54.93 O ATOM 111 CB GLN A 10 -16.166 -12.787 87.517 1.00 59.85 C ATOM 112 CG GLN A 10 -15.062 -13.656 88.081 1.00 64.54 C ATOM 113 CD GLN A 10 -15.310 -15.131 87.834 1.00 69.89 C ATOM 114 OE1 GLN A 10 -15.361 -15.577 86.686 1.00 73.75 O ATOM 115 NE2 GLN A 10 -15.462 -15.898 88.911 1.00 70.62 N ATOM 116 HE22 GLN A 10 -15.411 -15.477 89.861 1.00 0.00 H ATOM 117 HE21 GLN A 10 -15.632 -16.918 88.803 1.00 0.00 H ATOM 118 H GLN A 10 -14.619 -11.049 86.348 1.00 0.00 H ATOM 119 N HIS A 11 -17.591 -10.712 85.436 1.00 48.92 N ATOM 120 CA HIS A 11 -18.910 -10.092 85.429 1.00 41.85 C ATOM 121 C HIS A 11 -19.216 -9.334 84.141 1.00 35.14 C ATOM 122 O HIS A 11 -20.137 -8.510 84.117 1.00 37.01 O ATOM 123 CB HIS A 11 -19.031 -9.153 86.627 1.00 52.59 C ATOM 124 CG HIS A 11 -18.463 -9.719 87.903 1.00 56.09 C ATOM 125 ND1 HIS A 11 -19.244 -10.355 88.849 1.00 55.43 N ATOM 126 CD2 HIS A 11 -17.191 -9.756 88.376 1.00 51.90 C ATOM 127 CE1 HIS A 11 -18.477 -10.744 89.855 1.00 56.65 C ATOM 128 NE2 HIS A 11 -17.228 -10.398 89.590 1.00 55.40 N ATOM 129 H HIS A 11 -16.744 -10.111 85.374 1.00 0.00 H ATOM 130 N ARG A 12 -18.502 -9.611 83.060 1.00 32.72 N ATOM 131 CA ARG A 12 -18.631 -8.834 81.837 1.00 26.31 C ATOM 132 C ARG A 12 -19.004 -9.759 80.695 1.00 28.12 C ATOM 133 O ARG A 12 -18.512 -10.882 80.615 1.00 34.18 O ATOM 134 CB ARG A 12 -17.324 -8.095 81.518 1.00 26.66 C ATOM 135 CG ARG A 12 -16.963 -7.010 82.536 1.00 30.37 C ATOM 136 CD ARG A 12 -18.088 -5.975 82.647 1.00 34.10 C ATOM 137 NE ARG A 12 -17.756 -4.891 83.568 1.00 32.82 N ATOM 138 CZ ARG A 12 -17.398 -3.660 83.222 1.00 29.35 C ATOM 139 NH1 ARG A 12 -17.297 -3.301 81.940 1.00 23.94 N ATOM 140 NH2 ARG A 12 -17.109 -2.775 84.185 1.00 33.17 N ATOM 141 HE ARG A 12 -17.804 -5.102 84.585 1.00 0.00 H ATOM 142 HH12 ARG A 12 -17.015 -2.331 81.692 1.00 0.00 H ATOM 143 HH11 ARG A 12 -17.500 -3.991 81.189 1.00 0.00 H ATOM 144 HH22 ARG A 12 -16.827 -1.806 83.933 1.00 0.00 H ATOM 145 HH21 ARG A 12 -17.167 -3.057 85.184 1.00 0.00 H ATOM 146 H ARG A 12 -17.831 -10.405 83.086 1.00 0.00 H ATOM 147 N ASP A 13 -19.850 -9.265 79.791 1.00 29.51 N ATOM 148 CA ASP A 13 -20.265 -10.082 78.656 1.00 36.15 C ATOM 149 C ASP A 13 -19.134 -10.231 77.639 1.00 33.84 C ATOM 150 O ASP A 13 -18.970 -11.297 77.020 1.00 35.88 O ATOM 151 CB ASP A 13 -21.503 -9.455 78.016 1.00 41.04 C ATOM 152 CG ASP A 13 -22.069 -10.292 76.888 1.00 59.30 C ATOM 153 OD1 ASP A 13 -22.615 -11.381 77.188 1.00 66.64 O ATOM 154 OD2 ASP A 13 -22.001 -9.846 75.715 1.00 58.39 O ATOM 155 H ASP A 13 -20.214 -8.296 79.895 1.00 0.00 H ATOM 156 N LYS A 14 -18.351 -9.177 77.446 1.00 26.93 N ATOM 157 CA LYS A 14 -17.266 -9.178 76.484 1.00 23.22 C ATOM 158 C LYS A 14 -16.006 -8.655 77.153 1.00 22.29 C ATOM 159 O LYS A 14 -16.059 -7.923 78.150 1.00 21.94 O ATOM 160 CB LYS A 14 -17.543 -8.282 75.260 1.00 23.19 C ATOM 161 CG LYS A 14 -18.621 -8.854 74.342 1.00 27.93 C ATOM 162 CD LYS A 14 -18.928 -7.926 73.212 1.00 35.76 C ATOM 163 CE LYS A 14 -20.024 -8.568 72.332 1.00 39.42 C ATOM 164 NZ LYS A 14 -20.506 -7.691 71.224 1.00 42.75 N ATOM 165 HZ1 LYS A 14 -20.905 -6.818 71.623 1.00 0.00 H ATOM 166 HZ2 LYS A 14 -19.709 -7.455 70.599 1.00 0.00 H ATOM 167 HZ3 LYS A 14 -21.238 -8.192 70.681 1.00 0.00 H ATOM 168 H LYS A 14 -18.522 -8.318 78.006 1.00 0.00 H ATOM 169 N ASN A 15 -14.860 -8.999 76.560 1.00 20.38 N ATOM 170 CA ASN A 15 -13.640 -8.260 76.851 1.00 18.70 C ATOM 171 C ASN A 15 -13.575 -7.049 75.923 1.00 18.92 C ATOM 172 O ASN A 15 -13.265 -7.169 74.717 1.00 21.26 O ATOM 173 CB ASN A 15 -12.413 -9.139 76.706 1.00 18.93 C ATOM 174 CG ASN A 15 -11.190 -8.493 77.368 1.00 16.95 C ATOM 175 OD1 ASN A 15 -11.196 -7.275 77.638 1.00 17.15 O ATOM 176 ND2 ASN A 15 -10.169 -9.293 77.656 1.00 22.12 N ATOM 177 HD22 ASN A 15 -10.214 -10.302 77.410 1.00 0.00 H ATOM 178 HD21 ASN A 15 -9.325 -8.910 78.128 1.00 0.00 H ATOM 179 H ASN A 15 -14.839 -9.795 75.891 1.00 0.00 H ATOM 180 N GLU A 16 -13.861 -5.867 76.476 1.00 15.71 N ATOM 181 CA GLU A 16 -13.819 -4.620 75.701 1.00 15.58 C ATOM 182 C GLU A 16 -12.502 -3.868 75.874 1.00 15.06 C ATOM 183 O GLU A 16 -12.364 -2.743 75.370 1.00 15.53 O ATOM 184 CB GLU A 16 -15.029 -3.734 76.082 1.00 15.72 C ATOM 185 CG GLU A 16 -16.326 -4.445 75.784 1.00 17.40 C ATOM 186 CD GLU A 16 -17.558 -3.637 76.149 1.00 18.62 C ATOM 187 OE1 GLU A 16 -17.407 -2.460 76.579 1.00 18.59 O ATOM 188 OE2 GLU A 16 -18.653 -4.203 76.030 1.00 17.56 O ATOM 189 H GLU A 16 -14.120 -5.829 77.482 1.00 0.00 H ATOM 190 N ASP A 17 -11.541 -4.436 76.610 1.00 14.54 N ATOM 191 CA ASP A 17 -10.183 -3.921 76.605 1.00 14.20 C ATOM 192 C ASP A 17 -9.466 -4.412 75.358 1.00 14.68 C ATOM 193 O ASP A 17 -9.751 -5.507 74.848 1.00 16.45 O ATOM 194 CB ASP A 17 -9.420 -4.416 77.838 1.00 15.88 C ATOM 195 CG ASP A 17 -9.756 -3.696 79.147 1.00 17.81 C ATOM 196 OD1 ASP A 17 -10.590 -2.740 79.234 1.00 17.22 O ATOM 197 OD2 ASP A 17 -9.169 -4.167 80.171 1.00 16.13 O ATOM 198 H ASP A 17 -11.770 -5.263 77.198 1.00 0.00 H ATOM 199 N ALA A 18 -8.449 -3.653 74.933 1.00 14.68 N ATOM 200 CA ALA A 18 -7.653 -4.036 73.778 1.00 12.77 C ATOM 201 C ALA A 18 -6.243 -3.470 73.939 1.00 16.11 C ATOM 202 O ALA A 18 -6.001 -2.559 74.731 1.00 16.75 O ATOM 203 CB ALA A 18 -8.234 -3.495 72.484 1.00 13.13 C ATOM 204 H ALA A 18 -8.224 -2.772 75.438 1.00 0.00 H ATOM 205 N GLY A 19 -5.313 -3.949 73.128 1.00 14.91 N ATOM 206 CA GLY A 19 -3.992 -3.350 73.196 1.00 14.53 C ATOM 207 C GLY A 19 -2.974 -4.247 72.535 1.00 16.01 C ATOM 208 O GLY A 19 -3.319 -5.268 71.939 1.00 16.49 O ATOM 209 H GLY A 19 -5.521 -4.725 72.467 1.00 0.00 H ATOM 210 N GLY A 20 -1.703 -3.867 72.676 1.00 14.87 N ATOM 211 CA GLY A 20 -0.663 -4.726 72.148 1.00 15.40 C ATOM 212 C GLY A 20 0.675 -4.025 72.179 1.00 13.95 C ATOM 213 O GLY A 20 0.821 -2.918 72.706 1.00 14.41 O ATOM 214 H GLY A 20 -1.464 -2.975 73.154 1.00 0.00 H ATOM 215 N ILE A 21 1.659 -4.718 71.629 1.00 15.55 N ATOM 216 CA ILE A 21 3.057 -4.280 71.608 1.00 13.85 C ATOM 217 C ILE A 21 3.456 -4.341 70.143 1.00 13.60 C ATOM 218 O ILE A 21 3.508 -5.428 69.558 1.00 17.11 O ATOM 219 CB ILE A 21 3.949 -5.165 72.482 1.00 18.21 C ATOM 220 CG1 ILE A 21 3.458 -5.096 73.937 1.00 17.59 C ATOM 221 CG2 ILE A 21 5.452 -4.706 72.440 1.00 18.54 C ATOM 222 CD1 ILE A 21 3.935 -6.288 74.777 1.00 23.38 C ATOM 223 H ILE A 21 1.426 -5.629 71.185 1.00 0.00 H ATOM 224 N PHE A 22 3.742 -3.182 69.552 1.00 13.53 N ATOM 225 CA PHE A 22 3.910 -3.096 68.110 1.00 12.82 C ATOM 226 C PHE A 22 5.295 -2.576 67.769 1.00 14.34 C ATOM 227 O PHE A 22 5.945 -1.917 68.597 1.00 15.91 O ATOM 228 CB PHE A 22 2.835 -2.204 67.485 1.00 14.63 C ATOM 229 CG PHE A 22 1.456 -2.572 67.938 1.00 15.58 C ATOM 230 CD1 PHE A 22 1.043 -3.919 67.852 1.00 15.02 C ATOM 231 CD2 PHE A 22 0.613 -1.614 68.461 1.00 15.34 C ATOM 232 CE1 PHE A 22 -0.251 -4.312 68.268 1.00 17.21 C ATOM 233 CE2 PHE A 22 -0.717 -2.018 68.892 1.00 16.85 C ATOM 234 CZ PHE A 22 -1.070 -3.378 68.806 1.00 16.69 C ATOM 235 H PHE A 22 3.847 -2.325 70.131 1.00 0.00 H ATOM 236 N TYR A 23 5.733 -2.911 66.553 1.00 13.84 N ATOM 237 CA TYR A 23 7.085 -2.589 66.103 1.00 16.61 C ATOM 238 C TYR A 23 7.032 -1.904 64.751 1.00 17.50 C ATOM 239 O TYR A 23 6.263 -2.322 63.861 1.00 18.79 O ATOM 240 CB TYR A 23 7.958 -3.854 66.013 1.00 17.27 C ATOM 241 CG TYR A 23 8.133 -4.462 67.380 1.00 19.82 C ATOM 242 CD1 TYR A 23 9.156 -4.062 68.208 1.00 22.75 C ATOM 243 CD2 TYR A 23 7.231 -5.401 67.856 1.00 19.44 C ATOM 244 CE1 TYR A 23 9.268 -4.594 69.493 1.00 24.85 C ATOM 245 CE2 TYR A 23 7.346 -5.961 69.121 1.00 19.45 C ATOM 246 CZ TYR A 23 8.362 -5.535 69.938 1.00 22.41 C ATOM 247 OH TYR A 23 8.517 -6.045 71.224 1.00 25.13 O ATOM 248 HH TYR A 23 8.658 -7.024 71.175 1.00 0.00 H ATOM 249 H TYR A 23 5.093 -3.416 65.907 1.00 0.00 H ATOM 250 N ASN A 24 7.838 -0.854 64.576 1.00 15.76 N ATOM 251 CA ASN A 24 7.884 -0.211 63.255 1.00 15.80 C ATOM 252 C ASN A 24 9.041 -0.788 62.424 1.00 16.29 C ATOM 253 O ASN A 24 9.577 -1.847 62.741 1.00 17.82 O ATOM 254 CB ASN A 24 7.945 1.321 63.379 1.00 15.56 C ATOM 255 CG ASN A 24 9.292 1.842 63.900 1.00 17.61 C ATOM 256 OD1 ASN A 24 10.268 1.134 64.013 1.00 16.86 O ATOM 257 ND2 ASN A 24 9.339 3.145 64.171 1.00 18.36 N ATOM 258 HD22 ASN A 24 8.485 3.729 64.065 1.00 0.00 H ATOM 259 HD21 ASN A 24 10.230 3.578 64.488 1.00 0.00 H ATOM 260 H ASN A 24 8.422 -0.498 65.359 1.00 0.00 H ATOM 261 N GLN A 25 9.363 -0.131 61.285 1.00 16.40 N ATOM 262 CA GLN A 25 10.289 -0.741 60.325 1.00 17.66 C ATOM 263 C GLN A 25 11.719 -0.810 60.845 1.00 20.37 C ATOM 264 O GLN A 25 12.488 -1.661 60.390 1.00 22.67 O ATOM 265 CB GLN A 25 10.272 -0.023 58.968 1.00 18.29 C ATOM 266 CG GLN A 25 8.869 -0.180 58.397 1.00 19.90 C ATOM 267 CD GLN A 25 8.600 0.651 57.185 1.00 32.05 C ATOM 268 OE1 GLN A 25 9.519 1.125 56.549 1.00 34.83 O ATOM 269 NE2 GLN A 25 7.313 0.816 56.851 1.00 36.25 N ATOM 270 HE22 GLN A 25 6.566 0.387 57.433 1.00 0.00 H ATOM 271 HE21 GLN A 25 7.061 1.373 56.010 1.00 0.00 H ATOM 272 H GLN A 25 8.954 0.805 61.091 1.00 0.00 H ATOM 273 N THR A 26 12.092 0.021 61.824 1.00 18.34 N ATOM 274 CA THR A 26 13.406 -0.104 62.452 1.00 19.93 C ATOM 275 C THR A 26 13.289 -0.724 63.844 1.00 19.04 C ATOM 276 O THR A 26 14.218 -0.651 64.638 1.00 21.85 O ATOM 277 CB THR A 26 14.139 1.239 62.475 1.00 22.58 C ATOM 278 OG1 THR A 26 13.437 2.216 63.258 1.00 21.24 O ATOM 279 CG2 THR A 26 14.297 1.731 61.028 1.00 26.50 C ATOM 280 HG1 THR A 26 12.536 2.360 62.874 1.00 0.00 H ATOM 281 H THR A 26 11.439 0.765 62.142 1.00 0.00 H ATOM 282 N ASN A 27 12.193 -1.425 64.094 1.00 18.00 N ATOM 283 CA ASN A 27 12.002 -2.201 65.331 1.00 18.39 C ATOM 284 C ASN A 27 11.960 -1.328 66.590 1.00 18.27 C ATOM 285 O ASN A 27 12.227 -1.796 67.717 1.00 22.03 O ATOM 286 CB ASN A 27 13.062 -3.299 65.459 1.00 23.09 C ATOM 287 CG ASN A 27 12.516 -4.541 66.095 1.00 36.20 C ATOM 288 OD1 ASN A 27 11.499 -5.088 65.620 1.00 51.43 O ATOM 289 ND2 ASN A 27 13.182 -5.022 67.151 1.00 44.48 N ATOM 290 HD22 ASN A 27 14.024 -4.525 67.505 1.00 0.00 H ATOM 291 HD21 ASN A 27 12.858 -5.893 67.618 1.00 0.00 H ATOM 292 H ASN A 27 11.433 -1.427 63.384 1.00 0.00 H ATOM 293 N GLN A 28 11.563 -0.063 66.451 1.00 16.43 N ATOM 294 CA GLN A 28 11.179 0.692 67.622 1.00 15.60 C ATOM 295 C GLN A 28 9.847 0.153 68.131 1.00 15.50 C ATOM 296 O GLN A 28 9.050 -0.416 67.377 1.00 17.01 O ATOM 297 CB GLN A 28 10.976 2.184 67.302 1.00 16.46 C ATOM 298 CG GLN A 28 12.246 2.812 66.697 1.00 19.94 C ATOM 299 CD GLN A 28 12.058 4.273 66.416 1.00 23.56 C ATOM 300 OE1 GLN A 28 11.515 4.646 65.382 1.00 21.19 O ATOM 301 NE2 GLN A 28 12.519 5.121 67.324 1.00 25.17 N ATOM 302 HE22 GLN A 28 12.973 4.762 68.188 1.00 0.00 H ATOM 303 HE21 GLN A 28 12.427 6.146 67.173 1.00 0.00 H ATOM 304 H GLN A 28 11.530 0.376 65.509 1.00 0.00 H ATOM 305 N GLN A 29 9.610 0.357 69.413 1.00 16.41 N ATOM 306 CA GLN A 29 8.478 -0.266 70.109 1.00 16.23 C ATOM 307 C GLN A 29 7.405 0.728 70.533 1.00 15.97 C ATOM 308 O GLN A 29 7.699 1.808 71.052 1.00 16.74 O ATOM 309 CB GLN A 29 9.050 -1.020 71.321 1.00 19.69 C ATOM 310 CG GLN A 29 8.032 -1.881 72.114 1.00 19.91 C ATOM 311 CD GLN A 29 8.732 -2.536 73.310 1.00 22.39 C ATOM 312 OE1 GLN A 29 9.296 -1.833 74.136 1.00 28.17 O ATOM 313 NE2 GLN A 29 8.822 -3.863 73.316 1.00 22.82 N ATOM 314 HE22 GLN A 29 8.325 -4.421 72.593 1.00 0.00 H ATOM 315 HE21 GLN A 29 9.390 -4.342 74.044 1.00 0.00 H ATOM 316 H GLN A 29 10.247 0.981 69.949 1.00 0.00 H ATOM 317 N LEU A 30 6.128 0.346 70.332 1.00 13.18 N ATOM 318 CA LEU A 30 4.986 1.143 70.761 1.00 14.42 C ATOM 319 C LEU A 30 4.089 0.254 71.623 1.00 15.29 C ATOM 320 O LEU A 30 3.779 -0.879 71.227 1.00 16.29 O ATOM 321 CB LEU A 30 4.201 1.675 69.532 1.00 14.19 C ATOM 322 CG LEU A 30 2.819 2.279 69.803 1.00 13.57 C ATOM 323 CD1 LEU A 30 2.991 3.554 70.568 1.00 17.25 C ATOM 324 CD2 LEU A 30 2.123 2.547 68.427 1.00 17.19 C ATOM 325 H LEU A 30 5.950 -0.558 69.849 1.00 0.00 H ATOM 326 N LEU A 31 3.742 0.727 72.820 1.00 13.52 N ATOM 327 CA LEU A 31 2.871 -0.012 73.736 1.00 13.10 C ATOM 328 C LEU A 31 1.512 0.669 73.721 1.00 15.43 C ATOM 329 O LEU A 31 1.437 1.895 73.859 1.00 15.14 O ATOM 330 CB LEU A 31 3.436 0.010 75.164 1.00 12.46 C ATOM 331 CG LEU A 31 4.917 -0.271 75.287 1.00 14.30 C ATOM 332 CD1 LEU A 31 5.287 -0.172 76.795 1.00 19.22 C ATOM 333 CD2 LEU A 31 5.200 -1.642 74.766 1.00 16.74 C ATOM 334 H LEU A 31 4.104 1.657 73.115 1.00 0.00 H ATOM 335 N VAL A 32 0.429 -0.106 73.556 1.00 12.96 N ATOM 336 CA VAL A 32 -0.921 0.463 73.426 1.00 12.63 C ATOM 337 C VAL A 32 -1.888 -0.256 74.346 1.00 13.71 C ATOM 338 O VAL A 32 -1.927 -1.492 74.362 1.00 13.46 O ATOM 339 CB VAL A 32 -1.433 0.344 71.980 1.00 13.82 C ATOM 340 CG1 VAL A 32 -2.906 0.897 71.851 1.00 14.97 C ATOM 341 CG2 VAL A 32 -0.486 1.031 70.961 1.00 15.30 C ATOM 342 H VAL A 32 0.548 -1.139 73.519 1.00 0.00 H ATOM 343 N LEU A 33 -2.728 0.516 75.057 1.00 13.31 N ATOM 344 CA LEU A 33 -3.781 -0.092 75.861 1.00 12.94 C ATOM 345 C LEU A 33 -5.036 0.759 75.764 1.00 12.85 C ATOM 346 O LEU A 33 -4.984 1.977 75.973 1.00 13.50 O ATOM 347 CB LEU A 33 -3.285 -0.257 77.314 1.00 13.80 C ATOM 348 CG LEU A 33 -4.218 -1.053 78.233 1.00 17.02 C ATOM 349 CD1 LEU A 33 -3.398 -1.714 79.342 1.00 17.83 C ATOM 350 CD2 LEU A 33 -5.273 -0.132 78.867 1.00 19.62 C ATOM 351 H LEU A 33 -2.626 1.551 75.033 1.00 0.00 H ATOM 352 N CYS A 34 -6.160 0.114 75.488 1.00 12.57 N ATOM 353 CA CYS A 34 -7.427 0.804 75.290 1.00 12.48 C ATOM 354 C CYS A 34 -8.516 0.120 76.102 1.00 13.76 C ATOM 355 O CYS A 34 -8.686 -1.094 76.000 1.00 17.57 O ATOM 356 CB CYS A 34 -7.834 0.791 73.810 1.00 13.77 C ATOM 357 SG CYS A 34 -6.781 1.834 72.729 1.00 17.39 S ATOM 358 H CYS A 34 -6.137 -0.923 75.410 1.00 0.00 H ATOM 359 N ASP A 35 -9.324 0.897 76.797 1.00 13.14 N ATOM 360 CA ASP A 35 -10.461 0.358 77.549 1.00 12.31 C ATOM 361 C ASP A 35 -11.766 0.849 76.923 1.00 13.31 C ATOM 362 O ASP A 35 -12.188 1.997 77.139 1.00 13.69 O ATOM 363 CB ASP A 35 -10.350 0.803 79.017 1.00 12.87 C ATOM 364 CG ASP A 35 -11.485 0.316 79.856 1.00 14.10 C ATOM 365 OD1 ASP A 35 -12.438 -0.243 79.295 1.00 14.32 O ATOM 366 OD2 ASP A 35 -11.408 0.433 81.122 1.00 13.98 O ATOM 367 H ASP A 35 -9.149 1.922 76.812 1.00 0.00 H ATOM 368 N GLY A 36 -12.404 -0.014 76.138 1.00 13.33 N ATOM 369 CA GLY A 36 -13.667 0.365 75.532 1.00 12.71 C ATOM 370 C GLY A 36 -14.742 0.564 76.602 1.00 14.77 C ATOM 371 O GLY A 36 -14.799 -0.150 77.613 1.00 14.84 O ATOM 372 H GLY A 36 -12.000 -0.956 75.959 1.00 0.00 H ATOM 373 N MET A 37 -15.619 1.561 76.388 1.00 14.59 N ATOM 374 CA MET A 37 -16.547 1.950 77.457 1.00 15.94 C ATOM 375 C MET A 37 -17.641 0.909 77.620 1.00 17.94 C ATOM 376 O MET A 37 -18.476 0.706 76.722 1.00 18.60 O ATOM 377 CB MET A 37 -17.202 3.326 77.193 1.00 16.43 C ATOM 378 CG MET A 37 -16.206 4.515 77.273 1.00 16.26 C ATOM 379 SD MET A 37 -17.119 6.080 77.371 1.00 19.42 S ATOM 380 CE MET A 37 -17.842 6.212 75.713 1.00 22.54 C ATOM 381 H MET A 37 -15.640 2.053 75.472 1.00 0.00 H ATOM 382 N GLY A 38 -17.732 0.336 78.818 1.00 17.16 N ATOM 383 CA GLY A 38 -18.784 -0.617 79.101 1.00 16.72 C ATOM 384 C GLY A 38 -20.169 -0.008 79.150 1.00 17.06 C ATOM 385 O GLY A 38 -21.139 -0.700 78.897 1.00 21.75 O ATOM 386 H GLY A 38 -17.041 0.575 79.557 1.00 0.00 H ATOM 387 N GLY A 39 -20.266 1.271 79.520 1.00 18.40 N ATOM 388 CA GLY A 39 -21.572 1.873 79.714 1.00 19.39 C ATOM 389 C GLY A 39 -22.223 2.390 78.448 1.00 18.87 C ATOM 390 O GLY A 39 -23.344 2.918 78.527 1.00 21.96 O ATOM 391 H GLY A 39 -19.406 1.836 79.669 1.00 0.00 H ATOM 392 N HIS A 40 -21.540 2.231 77.309 1.00 18.35 N ATOM 393 CA HIS A 40 -22.029 2.649 76.001 1.00 19.75 C ATOM 394 C HIS A 40 -21.953 1.457 75.054 1.00 19.70 C ATOM 395 O HIS A 40 -21.415 0.403 75.398 1.00 24.30 O ATOM 396 CB HIS A 40 -21.263 3.878 75.508 1.00 20.08 C ATOM 397 CG HIS A 40 -21.476 5.064 76.380 1.00 24.33 C ATOM 398 ND1 HIS A 40 -22.639 5.808 76.343 1.00 34.00 N ATOM 399 CD2 HIS A 40 -20.739 5.559 77.401 1.00 23.12 C ATOM 400 CE1 HIS A 40 -22.572 6.757 77.259 1.00 39.64 C ATOM 401 NE2 HIS A 40 -21.424 6.635 77.906 1.00 30.68 N ATOM 402 H HIS A 40 -20.603 1.782 77.360 1.00 0.00 H ATOM 403 N LYS A 41 -22.544 1.612 73.877 1.00 19.57 N ATOM 404 CA LYS A 41 -22.593 0.517 72.911 1.00 18.63 C ATOM 405 C LYS A 41 -21.182 0.215 72.420 1.00 18.31 C ATOM 406 O LYS A 41 -20.354 1.106 72.310 1.00 18.95 O ATOM 407 CB LYS A 41 -23.447 0.900 71.701 1.00 21.01 C ATOM 408 CG LYS A 41 -24.853 1.270 72.083 1.00 23.35 C ATOM 409 CD LYS A 41 -25.666 1.632 70.878 1.00 25.18 C ATOM 410 CE LYS A 41 -27.030 2.099 71.337 1.00 33.67 C ATOM 411 NZ LYS A 41 -27.997 2.209 70.223 1.00 49.98 N ATOM 412 HZ1 LYS A 41 -27.643 2.893 69.524 1.00 0.00 H ATOM 413 HZ2 LYS A 41 -28.112 1.279 69.772 1.00 0.00 H ATOM 414 HZ3 LYS A 41 -28.914 2.532 70.592 1.00 0.00 H ATOM 415 H LYS A 41 -22.979 2.526 73.638 1.00 0.00 H ATOM 416 N ALA A 42 -20.938 -1.065 72.106 1.00 17.23 N ATOM 417 CA ALA A 42 -19.847 -1.426 71.161 1.00 17.21 C ATOM 418 C ALA A 42 -18.476 -1.019 71.664 1.00 16.69 C ATOM 419 O ALA A 42 -17.576 -0.648 70.903 1.00 16.49 O ATOM 420 CB ALA A 42 -20.150 -0.825 69.780 1.00 17.93 C ATOM 421 H ALA A 42 -21.519 -1.816 72.529 1.00 0.00 H ATOM 422 N GLY A 43 -18.264 -1.106 72.987 1.00 15.90 N ATOM 423 CA GLY A 43 -16.952 -0.741 73.513 1.00 13.73 C ATOM 424 C GLY A 43 -15.788 -1.538 72.914 1.00 13.87 C ATOM 425 O GLY A 43 -14.692 -0.998 72.746 1.00 14.84 O ATOM 426 H GLY A 43 -19.020 -1.427 73.625 1.00 0.00 H ATOM 427 N GLU A 44 -16.032 -2.811 72.557 1.00 14.63 N ATOM 428 CA GLU A 44 -14.930 -3.590 71.978 1.00 15.65 C ATOM 429 C GLU A 44 -14.623 -3.132 70.556 1.00 16.62 C ATOM 430 O GLU A 44 -13.472 -3.249 70.100 1.00 15.55 O ATOM 431 CB GLU A 44 -15.282 -5.078 72.004 1.00 15.63 C ATOM 432 CG GLU A 44 -16.352 -5.547 70.982 1.00 17.77 C ATOM 433 CD GLU A 44 -17.815 -5.253 71.373 1.00 21.78 C ATOM 434 OE1 GLU A 44 -18.086 -4.579 72.414 1.00 21.39 O ATOM 435 OE2 GLU A 44 -18.701 -5.726 70.640 1.00 24.56 O ATOM 436 H GLU A 44 -16.974 -3.232 72.687 1.00 0.00 H ATOM 437 N VAL A 45 -15.632 -2.641 69.823 1.00 15.02 N ATOM 438 CA VAL A 45 -15.374 -2.083 68.494 1.00 13.65 C ATOM 439 C VAL A 45 -14.482 -0.854 68.603 1.00 14.35 C ATOM 440 O VAL A 45 -13.490 -0.710 67.865 1.00 15.30 O ATOM 441 CB VAL A 45 -16.714 -1.762 67.804 1.00 15.03 C ATOM 442 CG1 VAL A 45 -16.447 -1.139 66.429 1.00 16.91 C ATOM 443 CG2 VAL A 45 -17.550 -3.046 67.637 1.00 17.25 C ATOM 444 H VAL A 45 -16.601 -2.656 70.199 1.00 0.00 H ATOM 445 N ALA A 46 -14.781 0.031 69.564 1.00 14.53 N ATOM 446 CA ALA A 46 -13.992 1.250 69.740 1.00 13.73 C ATOM 447 C ALA A 46 -12.559 0.955 70.167 1.00 13.41 C ATOM 448 O ALA A 46 -11.609 1.517 69.621 1.00 13.58 O ATOM 449 CB ALA A 46 -14.646 2.144 70.784 1.00 13.47 C ATOM 450 H ALA A 46 -15.587 -0.152 70.195 1.00 0.00 H ATOM 451 N SER A 47 -12.374 0.087 71.170 1.00 12.40 N ATOM 452 CA SER A 47 -11.011 -0.136 71.672 1.00 12.54 C ATOM 453 C SER A 47 -10.148 -0.859 70.637 1.00 14.17 C ATOM 454 O SER A 47 -8.970 -0.504 70.465 1.00 14.36 O ATOM 455 CB SER A 47 -11.060 -0.937 72.966 1.00 16.73 C ATOM 456 OG SER A 47 -11.654 -2.205 72.711 1.00 15.20 O ATOM 457 HG SER A 47 -11.687 -2.728 73.551 1.00 0.00 H ATOM 458 H SER A 47 -13.181 -0.420 71.586 1.00 0.00 H ATOM 459 N LYS A 48 -10.742 -1.809 69.891 1.00 13.59 N ATOM 460 CA LYS A 48 -9.983 -2.494 68.857 1.00 13.78 C ATOM 461 C LYS A 48 -9.759 -1.595 67.643 1.00 15.76 C ATOM 462 O LYS A 48 -8.750 -1.771 66.934 1.00 14.64 O ATOM 463 CB LYS A 48 -10.638 -3.803 68.466 1.00 14.99 C ATOM 464 CG LYS A 48 -10.522 -4.842 69.585 1.00 23.63 C ATOM 465 CD LYS A 48 -11.013 -6.205 69.118 1.00 28.55 C ATOM 466 CE LYS A 48 -10.986 -7.225 70.239 1.00 39.94 C ATOM 467 NZ LYS A 48 -9.680 -7.105 70.878 1.00 39.75 N ATOM 468 HZ1 LYS A 48 -8.934 -7.300 70.180 1.00 0.00 H ATOM 469 HZ2 LYS A 48 -9.565 -6.141 71.250 1.00 0.00 H ATOM 470 HZ3 LYS A 48 -9.613 -7.789 71.659 1.00 0.00 H ATOM 471 H LYS A 48 -11.740 -2.052 70.054 1.00 0.00 H ATOM 472 N PHE A 49 -10.666 -0.645 67.390 1.00 14.42 N ATOM 473 CA PHE A 49 -10.456 0.299 66.299 1.00 13.53 C ATOM 474 C PHE A 49 -9.217 1.127 66.547 1.00 14.72 C ATOM 475 O PHE A 49 -8.348 1.237 65.659 1.00 14.87 O ATOM 476 CB PHE A 49 -11.709 1.196 66.142 1.00 14.88 C ATOM 477 CG PHE A 49 -11.640 2.185 65.013 1.00 15.05 C ATOM 478 CD1 PHE A 49 -10.926 3.361 65.120 1.00 14.19 C ATOM 479 CD2 PHE A 49 -12.444 1.973 63.902 1.00 19.87 C ATOM 480 CE1 PHE A 49 -10.909 4.281 64.075 1.00 16.05 C ATOM 481 CE2 PHE A 49 -12.442 2.898 62.863 1.00 18.42 C ATOM 482 CZ PHE A 49 -11.644 4.032 62.954 1.00 18.24 C ATOM 483 H PHE A 49 -11.524 -0.580 67.974 1.00 0.00 H ATOM 484 N VAL A 50 -9.127 1.724 67.754 1.00 12.61 N ATOM 485 CA VAL A 50 -7.971 2.560 68.083 1.00 11.80 C ATOM 486 C VAL A 50 -6.688 1.735 68.091 1.00 13.67 C ATOM 487 O VAL A 50 -5.666 2.170 67.549 1.00 13.10 O ATOM 488 CB VAL A 50 -8.183 3.246 69.439 1.00 12.20 C ATOM 489 CG1 VAL A 50 -6.911 4.039 69.862 1.00 14.23 C ATOM 490 CG2 VAL A 50 -9.375 4.215 69.306 1.00 14.83 C ATOM 491 H VAL A 50 -9.884 1.589 68.455 1.00 0.00 H ATOM 492 N THR A 51 -6.726 0.521 68.672 1.00 13.64 N ATOM 493 CA THR A 51 -5.506 -0.315 68.711 1.00 13.27 C ATOM 494 C THR A 51 -5.075 -0.674 67.302 1.00 13.49 C ATOM 495 O THR A 51 -3.896 -0.573 66.961 1.00 13.30 O ATOM 496 CB THR A 51 -5.776 -1.588 69.521 1.00 14.61 C ATOM 497 OG1 THR A 51 -6.146 -1.213 70.857 1.00 16.83 O ATOM 498 CG2 THR A 51 -4.513 -2.472 69.564 1.00 16.26 C ATOM 499 HG1 THR A 51 -6.962 -0.653 70.827 1.00 0.00 H ATOM 500 H THR A 51 -7.611 0.172 69.092 1.00 0.00 H ATOM 501 N ASP A 52 -6.026 -1.049 66.433 1.00 14.01 N ATOM 502 CA ASP A 52 -5.668 -1.436 65.068 1.00 14.18 C ATOM 503 C ASP A 52 -5.083 -0.272 64.302 1.00 14.56 C ATOM 504 O ASP A 52 -4.152 -0.462 63.519 1.00 13.85 O ATOM 505 CB ASP A 52 -6.923 -1.930 64.336 1.00 14.38 C ATOM 506 CG ASP A 52 -6.602 -2.470 62.961 1.00 16.46 C ATOM 507 OD1 ASP A 52 -5.945 -3.540 62.882 1.00 19.39 O ATOM 508 OD2 ASP A 52 -7.004 -1.845 61.946 1.00 18.99 O ATOM 509 H ASP A 52 -7.022 -1.065 66.731 1.00 0.00 H ATOM 510 N GLU A 53 -5.657 0.926 64.471 1.00 13.44 N ATOM 511 CA GLU A 53 -5.131 2.119 63.810 1.00 11.84 C ATOM 512 C GLU A 53 -3.721 2.449 64.288 1.00 12.60 C ATOM 513 O GLU A 53 -2.841 2.682 63.466 1.00 14.59 O ATOM 514 CB GLU A 53 -6.061 3.305 64.066 1.00 13.87 C ATOM 515 CG GLU A 53 -7.331 3.235 63.191 1.00 15.88 C ATOM 516 CD GLU A 53 -7.022 3.389 61.697 1.00 18.38 C ATOM 517 OE1 GLU A 53 -6.137 4.216 61.327 1.00 17.36 O ATOM 518 OE2 GLU A 53 -7.603 2.657 60.859 1.00 20.63 O ATOM 519 H GLU A 53 -6.493 1.009 65.084 1.00 0.00 H ATOM 520 N LEU A 54 -3.483 2.426 65.594 1.00 11.81 N ATOM 521 CA LEU A 54 -2.122 2.733 66.066 1.00 11.43 C ATOM 522 C LEU A 54 -1.140 1.706 65.550 1.00 16.27 C ATOM 523 O LEU A 54 -0.018 2.059 65.172 1.00 14.86 O ATOM 524 CB LEU A 54 -2.094 2.767 67.596 1.00 11.60 C ATOM 525 CG LEU A 54 -2.657 4.078 68.181 1.00 14.75 C ATOM 526 CD1 LEU A 54 -2.892 3.907 69.647 1.00 15.89 C ATOM 527 CD2 LEU A 54 -1.765 5.306 67.928 1.00 18.12 C ATOM 528 H LEU A 54 -4.241 2.196 66.269 1.00 0.00 H ATOM 529 N LYS A 55 -1.534 0.425 65.525 1.00 13.40 N ATOM 530 CA LYS A 55 -0.662 -0.607 64.984 1.00 14.99 C ATOM 531 C LYS A 55 -0.320 -0.321 63.524 1.00 16.10 C ATOM 532 O LYS A 55 0.863 -0.281 63.144 1.00 14.12 O ATOM 533 CB LYS A 55 -1.350 -1.972 65.088 1.00 16.09 C ATOM 534 CG LYS A 55 -0.524 -3.144 64.584 1.00 17.56 C ATOM 535 CD LYS A 55 -1.376 -4.397 64.721 1.00 20.70 C ATOM 536 CE LYS A 55 -0.542 -5.654 64.907 1.00 32.35 C ATOM 537 NZ LYS A 55 0.186 -6.009 63.656 1.00 30.77 N ATOM 538 HZ1 LYS A 55 -0.500 -6.176 62.892 1.00 0.00 H ATOM 539 HZ2 LYS A 55 0.818 -5.227 63.391 1.00 0.00 H ATOM 540 HZ3 LYS A 55 0.746 -6.871 63.815 1.00 0.00 H ATOM 541 H LYS A 55 -2.471 0.166 65.895 1.00 0.00 H ATOM 542 N SER A 56 -1.338 -0.127 62.684 1.00 15.24 N ATOM 543 CA SER A 56 -1.112 0.096 61.257 1.00 15.18 C ATOM 544 C SER A 56 -0.306 1.350 60.986 1.00 14.82 C ATOM 545 O SER A 56 0.633 1.317 60.178 1.00 16.32 O ATOM 546 CB SER A 56 -2.457 0.170 60.537 1.00 20.63 C ATOM 547 OG SER A 56 -2.962 -1.154 60.584 1.00 32.12 O ATOM 548 HG SER A 56 -3.064 -1.434 61.528 1.00 0.00 H ATOM 549 H SER A 56 -2.311 -0.135 63.051 1.00 0.00 H ATOM 550 N ARG A 57 -0.615 2.434 61.688 1.00 13.60 N ATOM 551 CA ARG A 57 0.130 3.670 61.497 1.00 12.79 C ATOM 552 C ARG A 57 1.586 3.504 61.908 1.00 13.22 C ATOM 553 O ARG A 57 2.474 4.021 61.227 1.00 15.34 O ATOM 554 CB ARG A 57 -0.533 4.800 62.285 1.00 14.49 C ATOM 555 CG ARG A 57 -1.950 5.097 61.668 1.00 13.92 C ATOM 556 CD ARG A 57 -2.770 5.854 62.685 1.00 15.22 C ATOM 557 NE ARG A 57 -4.139 6.108 62.156 1.00 13.80 N ATOM 558 CZ ARG A 57 -4.543 7.282 61.729 1.00 17.59 C ATOM 559 NH1 ARG A 57 -3.746 8.335 61.788 1.00 16.77 N ATOM 560 NH2 ARG A 57 -5.800 7.411 61.233 1.00 16.98 N ATOM 561 HE ARG A 57 -4.810 5.314 62.123 1.00 0.00 H ATOM 562 HH12 ARG A 57 -4.079 9.259 61.446 1.00 0.00 H ATOM 563 HH11 ARG A 57 -2.786 8.239 62.176 1.00 0.00 H ATOM 564 HH22 ARG A 57 -6.132 8.336 60.892 1.00 0.00 H ATOM 565 HH21 ARG A 57 -6.431 6.585 61.194 1.00 0.00 H ATOM 566 H ARG A 57 -1.393 2.400 62.377 1.00 0.00 H ATOM 567 N PHE A 58 1.825 2.848 63.063 1.00 13.11 N ATOM 568 CA PHE A 58 3.202 2.716 63.526 1.00 11.63 C ATOM 569 C PHE A 58 3.992 1.789 62.611 1.00 12.64 C ATOM 570 O PHE A 58 5.173 2.036 62.319 1.00 14.72 O ATOM 571 CB PHE A 58 3.186 2.187 64.952 1.00 14.30 C ATOM 572 CG PHE A 58 4.526 2.255 65.637 1.00 14.46 C ATOM 573 CD1 PHE A 58 5.175 3.481 65.813 1.00 15.55 C ATOM 574 CD2 PHE A 58 5.105 1.091 66.122 1.00 15.14 C ATOM 575 CE1 PHE A 58 6.453 3.522 66.450 1.00 16.10 C ATOM 576 CE2 PHE A 58 6.342 1.146 66.782 1.00 14.99 C ATOM 577 CZ PHE A 58 6.997 2.353 66.933 1.00 16.06 C ATOM 578 H PHE A 58 1.041 2.444 63.614 1.00 0.00 H ATOM 579 N GLU A 59 3.382 0.683 62.168 1.00 15.18 N ATOM 580 CA GLU A 59 4.142 -0.260 61.349 1.00 16.18 C ATOM 581 C GLU A 59 4.522 0.348 60.005 1.00 17.26 C ATOM 582 O GLU A 59 5.496 -0.099 59.361 1.00 20.83 O ATOM 583 CB GLU A 59 3.349 -1.566 61.164 1.00 17.00 C ATOM 584 CG GLU A 59 3.080 -2.273 62.468 1.00 16.68 C ATOM 585 CD GLU A 59 2.358 -3.622 62.308 1.00 17.99 C ATOM 586 OE1 GLU A 59 1.743 -3.852 61.232 1.00 21.67 O ATOM 587 OE2 GLU A 59 2.398 -4.448 63.257 1.00 19.83 O ATOM 588 H GLU A 59 2.386 0.498 62.402 1.00 0.00 H ATOM 589 N ALA A 60 3.778 1.363 59.577 1.00 16.24 N ATOM 590 CA ALA A 60 4.081 2.102 58.365 1.00 16.52 C ATOM 591 C ALA A 60 5.240 3.071 58.520 1.00 19.24 C ATOM 592 O ALA A 60 5.720 3.612 57.509 1.00 22.62 O ATOM 593 CB ALA A 60 2.817 2.864 57.876 1.00 18.64 C ATOM 594 H ALA A 60 2.944 1.639 60.134 1.00 0.00 H ATOM 595 N GLU A 61 5.720 3.302 59.734 1.00 16.45 N ATOM 596 CA GLU A 61 6.816 4.263 59.919 1.00 17.18 C ATOM 597 C GLU A 61 8.162 3.597 59.857 1.00 18.09 C ATOM 598 O GLU A 61 8.335 2.463 60.311 1.00 18.56 O ATOM 599 CB GLU A 61 6.710 4.933 61.291 1.00 15.89 C ATOM 600 CG GLU A 61 5.503 5.825 61.482 1.00 20.12 C ATOM 601 CD GLU A 61 5.548 7.133 60.680 1.00 20.73 C ATOM 602 OE1 GLU A 61 6.611 7.566 60.163 1.00 24.40 O ATOM 603 OE2 GLU A 61 4.451 7.740 60.561 1.00 20.63 O ATOM 604 H GLU A 61 5.321 2.803 60.555 1.00 0.00 H ATOM 605 N ASN A 62 9.146 4.338 59.352 1.00 18.60 N ATOM 606 CA ASN A 62 10.530 3.894 59.391 1.00 19.92 C ATOM 607 C ASN A 62 11.162 4.235 60.734 1.00 24.52 C ATOM 608 O ASN A 62 11.696 3.357 61.422 1.00 23.69 O ATOM 609 CB ASN A 62 11.321 4.554 58.263 1.00 20.97 C ATOM 610 CG ASN A 62 12.725 4.095 58.238 1.00 30.26 C ATOM 611 OD1 ASN A 62 12.991 2.908 58.019 1.00 38.93 O ATOM 612 ND2 ASN A 62 13.657 5.019 58.457 1.00 35.56 N ATOM 613 HD22 ASN A 62 13.380 6.005 58.637 1.00 0.00 H ATOM 614 HD21 ASN A 62 14.663 4.755 58.449 1.00 0.00 H ATOM 615 H ASN A 62 8.919 5.256 58.919 1.00 0.00 H ATOM 616 N LEU A 63 11.098 5.510 61.123 1.00 21.87 N ATOM 617 CA LEU A 63 11.852 6.000 62.269 1.00 21.68 C ATOM 618 C LEU A 63 11.085 7.158 62.896 1.00 21.01 C ATOM 619 O LEU A 63 10.768 8.125 62.204 1.00 25.69 O ATOM 620 CB LEU A 63 13.268 6.447 61.853 1.00 22.36 C ATOM 621 CG LEU A 63 14.098 7.147 62.934 1.00 26.39 C ATOM 622 CD1 LEU A 63 14.521 6.114 63.937 1.00 28.99 C ATOM 623 CD2 LEU A 63 15.371 7.843 62.342 1.00 28.83 C ATOM 624 H LEU A 63 10.494 6.171 60.594 1.00 0.00 H ATOM 625 N ILE A 64 10.800 7.074 64.186 1.00 18.60 N ATOM 626 CA ILE A 64 10.275 8.213 64.935 1.00 18.70 C ATOM 627 C ILE A 64 11.223 8.443 66.084 1.00 19.00 C ATOM 628 O ILE A 64 11.251 7.629 67.026 1.00 22.93 O ATOM 629 CB ILE A 64 8.865 7.956 65.469 1.00 16.61 C ATOM 630 CG1 ILE A 64 7.895 7.604 64.351 1.00 20.31 C ATOM 631 CG2 ILE A 64 8.335 9.161 66.269 1.00 18.94 C ATOM 632 CD1 ILE A 64 6.635 6.875 64.959 1.00 22.34 C ATOM 633 H ILE A 64 10.954 6.172 64.680 1.00 0.00 H ATOM 634 N GLU A 65 12.040 9.500 66.009 1.00 20.44 N ATOM 635 CA GLU A 65 12.960 9.699 67.118 1.00 21.64 C ATOM 636 C GLU A 65 12.277 10.417 68.261 1.00 17.24 C ATOM 637 O GLU A 65 11.117 10.859 68.175 1.00 17.13 O ATOM 638 CB GLU A 65 14.203 10.459 66.655 1.00 24.55 C ATOM 639 CG GLU A 65 15.016 9.608 65.716 1.00 28.96 C ATOM 640 CD GLU A 65 16.350 10.188 65.396 1.00 35.25 C ATOM 641 OE1 GLU A 65 16.412 11.201 64.662 1.00 35.84 O ATOM 642 OE2 GLU A 65 17.348 9.622 65.872 1.00 46.30 O ATOM 643 H GLU A 65 12.018 10.149 65.196 1.00 0.00 H ATOM 644 N GLN A 66 13.021 10.542 69.362 1.00 19.83 N ATOM 645 CA GLN A 66 12.398 10.960 70.601 1.00 20.55 C ATOM 646 C GLN A 66 11.834 12.363 70.474 1.00 17.36 C ATOM 647 O GLN A 66 10.720 12.619 70.967 1.00 19.55 O ATOM 648 CB GLN A 66 13.427 10.877 71.744 1.00 22.12 C ATOM 649 CG GLN A 66 12.748 11.049 73.100 1.00 26.96 C ATOM 650 CD GLN A 66 12.582 12.526 73.465 1.00 34.62 C ATOM 651 OE1 GLN A 66 13.252 13.398 72.897 1.00 36.36 O ATOM 652 NE2 GLN A 66 11.694 12.809 74.413 1.00 43.11 N ATOM 653 HE22 GLN A 66 11.153 12.044 74.864 1.00 0.00 H ATOM 654 HE21 GLN A 66 11.541 13.796 74.704 1.00 0.00 H ATOM 655 H GLN A 66 14.041 10.341 69.331 1.00 0.00 H ATOM 656 N HIS A 67 12.511 13.228 69.725 1.00 18.82 N ATOM 657 CA HIS A 67 12.075 14.623 69.614 1.00 17.72 C ATOM 658 C HIS A 67 10.827 14.746 68.728 1.00 17.66 C ATOM 659 O HIS A 67 10.242 15.825 68.689 1.00 22.01 O ATOM 660 CB HIS A 67 13.185 15.521 69.100 1.00 20.75 C ATOM 661 CG HIS A 67 13.553 15.296 67.661 1.00 19.36 C ATOM 662 ND1 HIS A 67 14.369 14.253 67.256 1.00 21.66 N ATOM 663 CD2 HIS A 67 13.250 15.999 66.537 1.00 24.88 C ATOM 664 CE1 HIS A 67 14.547 14.329 65.945 1.00 26.92 C ATOM 665 NE2 HIS A 67 13.875 15.375 65.487 1.00 21.63 N ATOM 666 H HIS A 67 13.359 12.912 69.212 1.00 0.00 H ATOM 667 N GLN A 68 10.520 13.723 67.933 1.00 15.53 N ATOM 668 CA GLN A 68 9.352 13.677 67.060 1.00 17.03 C ATOM 669 C GLN A 68 8.143 13.016 67.700 1.00 16.23 C ATOM 670 O GLN A 68 7.041 13.056 67.128 1.00 16.54 O ATOM 671 CB GLN A 68 9.669 12.869 65.787 1.00 18.25 C ATOM 672 CG GLN A 68 10.708 13.478 64.891 1.00 20.98 C ATOM 673 CD GLN A 68 11.155 12.480 63.848 1.00 24.42 C ATOM 674 OE1 GLN A 68 12.026 11.636 64.096 1.00 27.93 O ATOM 675 NE2 GLN A 68 10.604 12.602 62.668 1.00 24.00 N ATOM 676 HE22 GLN A 68 9.876 13.326 62.507 1.00 0.00 H ATOM 677 HE21 GLN A 68 10.894 11.975 61.891 1.00 0.00 H ATOM 678 H GLN A 68 11.156 12.900 67.934 1.00 0.00 H ATOM 679 N ALA A 69 8.314 12.339 68.839 1.00 15.21 N ATOM 680 CA ALA A 69 7.359 11.375 69.346 1.00 14.44 C ATOM 681 C ALA A 69 6.116 12.040 69.906 1.00 14.49 C ATOM 682 O ALA A 69 5.007 11.539 69.701 1.00 15.48 O ATOM 683 CB ALA A 69 8.065 10.535 70.431 1.00 17.99 C ATOM 684 H ALA A 69 9.178 12.513 69.391 1.00 0.00 H ATOM 685 N GLU A 70 6.270 13.139 70.647 1.00 15.98 N ATOM 686 CA GLU A 70 5.064 13.784 71.185 1.00 14.15 C ATOM 687 C GLU A 70 4.122 14.211 70.051 1.00 15.33 C ATOM 688 O GLU A 70 2.903 13.985 70.111 1.00 16.94 O ATOM 689 CB GLU A 70 5.478 14.986 72.044 1.00 18.14 C ATOM 690 CG GLU A 70 4.336 15.792 72.578 1.00 25.91 C ATOM 691 CD GLU A 70 4.781 16.880 73.541 1.00 33.34 C ATOM 692 OE1 GLU A 70 5.985 16.947 73.927 1.00 35.47 O ATOM 693 OE2 GLU A 70 3.903 17.683 73.917 1.00 42.38 O ATOM 694 H GLU A 70 7.216 13.528 70.838 1.00 0.00 H ATOM 695 N ASN A 71 4.679 14.866 69.027 1.00 17.01 N ATOM 696 CA ASN A 71 3.896 15.287 67.870 1.00 15.61 C ATOM 697 C ASN A 71 3.269 14.106 67.144 1.00 16.36 C ATOM 698 O ASN A 71 2.091 14.156 66.757 1.00 15.19 O ATOM 699 CB ASN A 71 4.807 16.095 66.953 1.00 16.15 C ATOM 700 CG ASN A 71 4.055 16.614 65.739 1.00 18.50 C ATOM 701 OD1 ASN A 71 3.305 17.583 65.858 1.00 24.09 O ATOM 702 ND2 ASN A 71 4.292 16.036 64.618 1.00 19.89 N ATOM 703 HD22 ASN A 71 4.936 15.220 64.579 1.00 0.00 H ATOM 704 HD21 ASN A 71 3.840 16.383 63.748 1.00 0.00 H ATOM 705 H ASN A 71 5.696 15.081 69.056 1.00 0.00 H ATOM 706 N TRP A 72 4.009 13.017 66.971 1.00 14.38 N ATOM 707 CA TRP A 72 3.458 11.857 66.270 1.00 13.94 C ATOM 708 C TRP A 72 2.271 11.280 67.017 1.00 16.15 C ATOM 709 O TRP A 72 1.205 11.026 66.428 1.00 16.26 O ATOM 710 CB TRP A 72 4.592 10.808 66.084 1.00 16.68 C ATOM 711 CG TRP A 72 4.094 9.679 65.164 1.00 14.48 C ATOM 712 CD1 TRP A 72 4.266 9.612 63.787 1.00 17.65 C ATOM 713 CD2 TRP A 72 3.396 8.476 65.542 1.00 15.28 C ATOM 714 NE1 TRP A 72 3.721 8.436 63.316 1.00 17.61 N ATOM 715 CE2 TRP A 72 3.154 7.741 64.347 1.00 16.07 C ATOM 716 CE3 TRP A 72 2.925 7.962 66.754 1.00 15.69 C ATOM 717 CZ2 TRP A 72 2.484 6.503 64.349 1.00 17.32 C ATOM 718 CZ3 TRP A 72 2.234 6.721 66.749 1.00 19.25 C ATOM 719 CH2 TRP A 72 2.044 6.007 65.545 1.00 15.50 C ATOM 720 HE1 TRP A 72 3.739 8.124 62.324 1.00 0.00 H ATOM 721 H TRP A 72 4.983 12.989 67.335 1.00 0.00 H ATOM 722 N LEU A 73 2.422 11.088 68.327 1.00 14.66 N ATOM 723 CA LEU A 73 1.338 10.559 69.131 1.00 13.94 C ATOM 724 C LEU A 73 0.163 11.517 69.157 1.00 15.63 C ATOM 725 O LEU A 73 -0.993 11.097 68.978 1.00 15.12 O ATOM 726 CB LEU A 73 1.850 10.303 70.561 1.00 15.43 C ATOM 727 CG LEU A 73 2.760 9.103 70.696 1.00 20.10 C ATOM 728 CD1 LEU A 73 3.479 9.192 72.055 1.00 18.13 C ATOM 729 CD2 LEU A 73 2.005 7.790 70.585 1.00 20.11 C ATOM 730 H LEU A 73 3.330 11.321 68.779 1.00 0.00 H ATOM 731 N ARG A 74 0.412 12.810 69.394 1.00 14.50 N ATOM 732 CA ARG A 74 -0.717 13.749 69.448 1.00 16.42 C ATOM 733 C ARG A 74 -1.480 13.763 68.142 1.00 19.72 C ATOM 734 O ARG A 74 -2.736 13.671 68.131 1.00 16.66 O ATOM 735 CB ARG A 74 -0.197 15.153 69.792 1.00 20.29 C ATOM 736 CG ARG A 74 -1.307 16.196 69.843 1.00 21.13 C ATOM 737 CD ARG A 74 -0.832 17.575 70.267 1.00 28.45 C ATOM 738 NE ARG A 74 -0.337 17.583 71.636 1.00 33.93 N ATOM 739 CZ ARG A 74 0.944 17.641 71.964 1.00 35.32 C ATOM 740 NH1 ARG A 74 1.883 17.717 71.024 1.00 46.70 N ATOM 741 NH2 ARG A 74 1.275 17.636 73.237 1.00 35.70 N ATOM 742 HE ARG A 74 -1.035 17.540 72.406 1.00 0.00 H ATOM 743 HH12 ARG A 74 2.886 17.762 71.294 1.00 0.00 H ATOM 744 HH11 ARG A 74 1.613 17.731 70.020 1.00 0.00 H ATOM 745 HH22 ARG A 74 2.276 17.681 73.514 1.00 0.00 H ATOM 746 HH21 ARG A 74 0.535 17.587 73.966 1.00 0.00 H ATOM 747 H ARG A 74 1.386 13.144 69.537 1.00 0.00 H ATOM 748 N ASN A 75 -0.748 13.821 67.017 1.00 15.95 N ATOM 749 CA ASN A 75 -1.430 13.976 65.733 1.00 16.09 C ATOM 750 C ASN A 75 -2.163 12.702 65.357 1.00 17.89 C ATOM 751 O ASN A 75 -3.304 12.760 64.855 1.00 16.96 O ATOM 752 CB ASN A 75 -0.419 14.383 64.673 1.00 18.86 C ATOM 753 CG ASN A 75 0.032 15.823 64.860 1.00 26.31 C ATOM 754 OD1 ASN A 75 -0.496 16.536 65.730 1.00 33.76 O ATOM 755 ND2 ASN A 75 0.975 16.259 64.053 1.00 32.72 N ATOM 756 HD22 ASN A 75 1.385 15.622 63.341 1.00 0.00 H ATOM 757 HD21 ASN A 75 1.310 17.241 64.127 1.00 0.00 H ATOM 758 H ASN A 75 0.289 13.757 67.059 1.00 0.00 H ATOM 759 N ASN A 76 -1.580 11.542 65.659 1.00 14.17 N ATOM 760 CA ASN A 76 -2.263 10.307 65.295 1.00 15.72 C ATOM 761 C ASN A 76 -3.446 10.037 66.218 1.00 14.16 C ATOM 762 O ASN A 76 -4.486 9.550 65.754 1.00 14.42 O ATOM 763 CB ASN A 76 -1.262 9.146 65.261 1.00 15.23 C ATOM 764 CG ASN A 76 -0.501 9.125 63.936 1.00 16.25 C ATOM 765 OD1 ASN A 76 -1.020 8.673 62.924 1.00 17.13 O ATOM 766 ND2 ASN A 76 0.709 9.702 63.910 1.00 15.90 N ATOM 767 HD22 ASN A 76 1.125 10.077 64.786 1.00 0.00 H ATOM 768 HD21 ASN A 76 1.231 9.774 63.014 1.00 0.00 H ATOM 769 H ASN A 76 -0.660 11.519 66.143 1.00 0.00 H ATOM 770 N ILE A 77 -3.320 10.307 67.524 1.00 13.59 N ATOM 771 CA ILE A 77 -4.488 10.158 68.391 1.00 11.73 C ATOM 772 C ILE A 77 -5.612 11.081 67.922 1.00 15.72 C ATOM 773 O ILE A 77 -6.780 10.682 67.909 1.00 13.90 O ATOM 774 CB ILE A 77 -4.087 10.427 69.856 1.00 14.40 C ATOM 775 CG1 ILE A 77 -3.171 9.313 70.360 1.00 16.80 C ATOM 776 CG2 ILE A 77 -5.356 10.512 70.751 1.00 14.94 C ATOM 777 CD1 ILE A 77 -3.894 8.000 70.638 1.00 17.90 C ATOM 778 H ILE A 77 -2.407 10.617 67.914 1.00 0.00 H ATOM 779 N LYS A 78 -5.285 12.329 67.525 1.00 15.01 N ATOM 780 CA LYS A 78 -6.381 13.204 67.093 1.00 14.20 C ATOM 781 C LYS A 78 -7.020 12.676 65.823 1.00 15.56 C ATOM 782 O LYS A 78 -8.263 12.710 65.683 1.00 14.17 O ATOM 783 CB LYS A 78 -5.871 14.624 66.865 1.00 16.25 C ATOM 784 CG LYS A 78 -5.586 15.371 68.174 1.00 19.95 C ATOM 785 CD LYS A 78 -4.841 16.694 67.906 1.00 23.32 C ATOM 786 CE LYS A 78 -4.880 17.637 69.081 1.00 36.09 C ATOM 787 NZ LYS A 78 -6.254 18.270 69.175 1.00 35.64 N ATOM 788 HZ1 LYS A 78 -6.452 18.796 68.300 1.00 0.00 H ATOM 789 HZ2 LYS A 78 -6.969 17.526 69.303 1.00 0.00 H ATOM 790 HZ3 LYS A 78 -6.280 18.920 69.986 1.00 0.00 H ATOM 791 H LYS A 78 -4.298 12.657 67.525 1.00 0.00 H ATOM 792 N ASP A 79 -6.220 12.152 64.896 1.00 14.77 N ATOM 793 CA ASP A 79 -6.793 11.643 63.654 1.00 15.98 C ATOM 794 C ASP A 79 -7.648 10.404 63.922 1.00 15.09 C ATOM 795 O ASP A 79 -8.731 10.234 63.346 1.00 14.67 O ATOM 796 CB ASP A 79 -5.672 11.319 62.654 1.00 15.50 C ATOM 797 CG ASP A 79 -6.193 11.095 61.223 1.00 20.78 C ATOM 798 OD1 ASP A 79 -7.056 11.888 60.737 1.00 22.17 O ATOM 799 OD2 ASP A 79 -5.723 10.139 60.557 1.00 23.20 O ATOM 800 H ASP A 79 -5.193 12.106 65.056 1.00 0.00 H ATOM 801 N ILE A 80 -7.148 9.506 64.761 1.00 12.92 N ATOM 802 CA ILE A 80 -7.891 8.297 65.065 1.00 12.22 C ATOM 803 C ILE A 80 -9.186 8.634 65.778 1.00 13.47 C ATOM 804 O ILE A 80 -10.225 8.028 65.513 1.00 15.78 O ATOM 805 CB ILE A 80 -7.051 7.359 65.915 1.00 13.26 C ATOM 806 CG1 ILE A 80 -5.871 6.841 65.087 1.00 12.62 C ATOM 807 CG2 ILE A 80 -7.907 6.200 66.451 1.00 15.25 C ATOM 808 CD1 ILE A 80 -4.796 6.111 65.926 1.00 12.96 C ATOM 809 H ILE A 80 -6.220 9.669 65.202 1.00 0.00 H ATOM 810 N ASN A 81 -9.139 9.598 66.713 1.00 12.46 N ATOM 811 CA ASN A 81 -10.370 10.048 67.379 1.00 13.00 C ATOM 812 C ASN A 81 -11.387 10.526 66.361 1.00 14.78 C ATOM 813 O ASN A 81 -12.565 10.160 66.413 1.00 13.96 O ATOM 814 CB ASN A 81 -10.045 11.164 68.370 1.00 14.96 C ATOM 815 CG ASN A 81 -11.313 11.760 68.953 1.00 14.02 C ATOM 816 OD1 ASN A 81 -11.932 11.146 69.796 1.00 15.83 O ATOM 817 ND2 ASN A 81 -11.729 12.917 68.432 1.00 13.39 N ATOM 818 HD22 ASN A 81 -11.155 13.399 67.711 1.00 0.00 H ATOM 819 HD21 ASN A 81 -12.627 13.336 68.747 1.00 0.00 H ATOM 820 H ASN A 81 -8.227 10.028 66.967 1.00 0.00 H ATOM 821 N PHE A 82 -10.930 11.360 65.425 1.00 15.08 N ATOM 822 CA PHE A 82 -11.782 11.870 64.355 1.00 14.51 C ATOM 823 C PHE A 82 -12.396 10.740 63.524 1.00 15.57 C ATOM 824 O PHE A 82 -13.621 10.703 63.330 1.00 15.77 O ATOM 825 CB PHE A 82 -10.928 12.835 63.513 1.00 15.20 C ATOM 826 CG PHE A 82 -11.486 13.134 62.132 1.00 16.41 C ATOM 827 CD1 PHE A 82 -12.490 14.081 61.934 1.00 16.80 C ATOM 828 CD2 PHE A 82 -10.928 12.508 61.028 1.00 19.33 C ATOM 829 CE1 PHE A 82 -12.957 14.361 60.657 1.00 18.27 C ATOM 830 CE2 PHE A 82 -11.413 12.788 59.739 1.00 21.69 C ATOM 831 CZ PHE A 82 -12.438 13.690 59.588 1.00 21.50 C ATOM 832 H PHE A 82 -9.934 11.657 65.459 1.00 0.00 H ATOM 833 N GLN A 83 -11.581 9.781 63.082 1.00 14.81 N ATOM 834 CA GLN A 83 -12.101 8.657 62.301 1.00 15.36 C ATOM 835 C GLN A 83 -13.077 7.801 63.093 1.00 15.37 C ATOM 836 O GLN A 83 -14.093 7.348 62.535 1.00 15.50 O ATOM 837 CB GLN A 83 -10.942 7.809 61.777 1.00 14.10 C ATOM 838 CG GLN A 83 -10.133 8.527 60.723 1.00 17.51 C ATOM 839 CD GLN A 83 -9.023 7.634 60.205 1.00 24.79 C ATOM 840 OE1 GLN A 83 -8.728 6.579 60.806 1.00 33.42 O ATOM 841 NE2 GLN A 83 -8.331 8.082 59.164 1.00 23.66 N ATOM 842 HE22 GLN A 83 -8.613 8.966 58.694 1.00 0.00 H ATOM 843 HE21 GLN A 83 -7.507 7.549 58.819 1.00 0.00 H ATOM 844 H GLN A 83 -10.564 9.832 63.295 1.00 0.00 H ATOM 845 N LEU A 84 -12.781 7.557 64.374 1.00 13.34 N ATOM 846 CA LEU A 84 -13.662 6.735 65.212 1.00 12.75 C ATOM 847 C LEU A 84 -14.991 7.427 65.435 1.00 15.95 C ATOM 848 O LEU A 84 -16.047 6.786 65.377 1.00 15.88 O ATOM 849 CB LEU A 84 -12.970 6.449 66.555 1.00 13.85 C ATOM 850 CG LEU A 84 -13.810 5.660 67.560 1.00 14.91 C ATOM 851 CD1 LEU A 84 -14.188 4.296 66.959 1.00 15.92 C ATOM 852 CD2 LEU A 84 -12.991 5.523 68.869 1.00 16.13 C ATOM 853 H LEU A 84 -11.912 7.956 64.783 1.00 0.00 H ATOM 854 N TYR A 85 -14.956 8.737 65.721 1.00 14.95 N ATOM 855 CA TYR A 85 -16.214 9.474 65.910 1.00 15.12 C ATOM 856 C TYR A 85 -17.120 9.338 64.701 1.00 16.99 C ATOM 857 O TYR A 85 -18.331 9.088 64.824 1.00 17.44 O ATOM 858 CB TYR A 85 -15.859 10.951 66.156 1.00 16.62 C ATOM 859 CG TYR A 85 -17.084 11.822 66.212 1.00 17.54 C ATOM 860 CD1 TYR A 85 -17.924 11.799 67.350 1.00 20.02 C ATOM 861 CD2 TYR A 85 -17.415 12.689 65.169 1.00 16.65 C ATOM 862 CE1 TYR A 85 -19.039 12.594 67.417 1.00 19.36 C ATOM 863 CE2 TYR A 85 -18.531 13.483 65.245 1.00 15.86 C ATOM 864 CZ TYR A 85 -19.319 13.451 66.385 1.00 16.86 C ATOM 865 OH TYR A 85 -20.456 14.221 66.470 1.00 19.28 O ATOM 866 HH TYR A 85 -20.214 15.176 66.378 1.00 0.00 H ATOM 867 H TYR A 85 -14.044 9.229 65.809 1.00 0.00 H ATOM 868 N HIS A 86 -16.565 9.534 63.499 1.00 16.10 N ATOM 869 CA HIS A 86 -17.420 9.496 62.327 1.00 16.94 C ATOM 870 C HIS A 86 -17.826 8.091 61.963 1.00 19.24 C ATOM 871 O HIS A 86 -18.961 7.898 61.489 1.00 19.73 O ATOM 872 CB HIS A 86 -16.725 10.201 61.171 1.00 18.27 C ATOM 873 CG HIS A 86 -16.732 11.668 61.367 1.00 16.21 C ATOM 874 ND1 HIS A 86 -17.888 12.418 61.270 1.00 23.91 N ATOM 875 CD2 HIS A 86 -15.753 12.516 61.730 1.00 19.14 C ATOM 876 CE1 HIS A 86 -17.600 13.670 61.589 1.00 20.56 C ATOM 877 NE2 HIS A 86 -16.317 13.757 61.836 1.00 22.39 N ATOM 878 H HIS A 86 -15.544 9.710 63.407 1.00 0.00 H ATOM 879 N TYR A 87 -17.024 7.107 62.309 1.00 17.79 N ATOM 880 CA TYR A 87 -17.431 5.718 62.132 1.00 19.10 C ATOM 881 C TYR A 87 -18.627 5.407 63.018 1.00 17.65 C ATOM 882 O TYR A 87 -19.605 4.808 62.568 1.00 20.98 O ATOM 883 CB TYR A 87 -16.231 4.821 62.440 1.00 16.48 C ATOM 884 CG TYR A 87 -16.466 3.337 62.281 1.00 18.25 C ATOM 885 CD1 TYR A 87 -17.074 2.813 61.163 1.00 24.58 C ATOM 886 CD2 TYR A 87 -15.948 2.453 63.228 1.00 20.01 C ATOM 887 CE1 TYR A 87 -17.251 1.419 61.033 1.00 26.42 C ATOM 888 CE2 TYR A 87 -16.147 1.075 63.108 1.00 24.39 C ATOM 889 CZ TYR A 87 -16.774 0.576 62.025 1.00 26.42 C ATOM 890 OH TYR A 87 -16.914 -0.790 61.921 1.00 34.67 O ATOM 891 HH TYR A 87 -17.390 -1.009 61.081 1.00 0.00 H ATOM 892 H TYR A 87 -16.090 7.322 62.713 1.00 0.00 H ATOM 893 N ALA A 88 -18.571 5.853 64.274 1.00 16.89 N ATOM 894 CA ALA A 88 -19.716 5.659 65.169 1.00 17.53 C ATOM 895 C ALA A 88 -20.930 6.430 64.706 1.00 22.43 C ATOM 896 O ALA A 88 -22.068 5.938 64.838 1.00 23.91 O ATOM 897 CB ALA A 88 -19.319 6.093 66.586 1.00 18.57 C ATOM 898 H ALA A 88 -17.717 6.337 64.618 1.00 0.00 H ATOM 899 N GLN A 89 -20.737 7.636 64.141 1.00 19.60 N ATOM 900 CA GLN A 89 -21.886 8.451 63.728 1.00 21.53 C ATOM 901 C GLN A 89 -22.594 7.848 62.532 1.00 21.26 C ATOM 902 O GLN A 89 -23.828 8.029 62.362 1.00 25.44 O ATOM 903 CB GLN A 89 -21.431 9.879 63.381 1.00 26.30 C ATOM 904 CG GLN A 89 -21.007 10.694 64.578 1.00 23.89 C ATOM 905 CD GLN A 89 -22.192 11.094 65.430 1.00 32.94 C ATOM 906 OE1 GLN A 89 -22.373 10.615 66.543 1.00 39.20 O ATOM 907 NE2 GLN A 89 -23.003 11.990 64.901 1.00 34.96 N ATOM 908 HE22 GLN A 89 -22.810 12.370 63.952 1.00 0.00 H ATOM 909 HE21 GLN A 89 -23.835 12.317 65.433 1.00 0.00 H ATOM 910 H GLN A 89 -19.771 7.992 63.996 1.00 0.00 H ATOM 911 N GLU A 90 -21.867 7.110 61.702 1.00 24.21 N ATOM 912 CA GLU A 90 -22.393 6.508 60.484 1.00 27.02 C ATOM 913 C GLU A 90 -23.092 5.174 60.719 1.00 27.29 C ATOM 914 O GLU A 90 -23.741 4.665 59.793 1.00 29.67 O ATOM 915 CB GLU A 90 -21.250 6.327 59.468 1.00 28.11 C ATOM 916 CG GLU A 90 -20.708 7.664 58.973 1.00 29.64 C ATOM 917 CD GLU A 90 -19.298 7.564 58.351 1.00 39.01 C ATOM 918 OE1 GLU A 90 -18.795 6.442 58.077 1.00 40.60 O ATOM 919 OE2 GLU A 90 -18.683 8.634 58.144 1.00 38.55 O ATOM 920 H GLU A 90 -20.866 6.953 61.934 1.00 0.00 H ATOM 921 N ASN A 91 -23.033 4.628 61.936 1.00 27.16 N ATOM 922 CA ASN A 91 -23.557 3.294 62.244 1.00 24.81 C ATOM 923 C ASN A 91 -24.396 3.337 63.528 1.00 26.20 C ATOM 924 O ASN A 91 -23.833 3.444 64.632 1.00 26.43 O ATOM 925 CB ASN A 91 -22.383 2.315 62.400 1.00 29.16 C ATOM 926 CG ASN A 91 -21.636 2.067 61.086 1.00 31.40 C ATOM 927 OD1 ASN A 91 -22.056 1.244 60.255 1.00 37.82 O ATOM 928 ND2 ASN A 91 -20.541 2.783 60.886 1.00 27.72 N ATOM 929 HD22 ASN A 91 -20.224 3.461 61.608 1.00 0.00 H ATOM 930 HD21 ASN A 91 -19.997 2.667 60.007 1.00 0.00 H ATOM 931 H ASN A 91 -22.594 5.176 62.703 1.00 0.00 H ATOM 932 N ALA A 92 -25.726 3.242 63.404 1.00 29.16 N ATOM 933 CA ALA A 92 -26.586 3.427 64.579 1.00 27.93 C ATOM 934 C ALA A 92 -26.259 2.458 65.715 1.00 26.04 C ATOM 935 O ALA A 92 -26.381 2.824 66.890 1.00 29.29 O ATOM 936 CB ALA A 92 -28.064 3.293 64.187 1.00 32.08 C ATOM 937 H ALA A 92 -26.149 3.037 62.476 1.00 0.00 H ATOM 938 N GLU A 93 -25.807 1.235 65.406 1.00 25.01 N ATOM 939 CA GLU A 93 -25.481 0.274 66.462 1.00 26.60 C ATOM 940 C GLU A 93 -24.201 0.632 67.211 1.00 24.17 C ATOM 941 O GLU A 93 -23.883 0.024 68.260 1.00 24.49 O ATOM 942 CB GLU A 93 -25.360 -1.135 65.874 1.00 30.19 C ATOM 943 CG GLU A 93 -24.399 -1.313 64.638 1.00 37.55 C ATOM 944 CD GLU A 93 -24.785 -0.460 63.412 1.00 48.91 C ATOM 945 OE1 GLU A 93 -23.920 -0.169 62.568 1.00 57.91 O ATOM 946 OE2 GLU A 93 -25.960 -0.045 63.326 1.00 61.35 O ATOM 947 H GLU A 93 -25.687 0.966 64.409 1.00 0.00 H ATOM 948 N TYR A 94 -23.399 1.551 66.671 1.00 21.39 N ATOM 949 CA TYR A 94 -22.207 2.001 67.348 1.00 17.90 C ATOM 950 C TYR A 94 -22.358 3.382 67.959 1.00 22.41 C ATOM 951 O TYR A 94 -21.415 3.848 68.590 1.00 19.95 O ATOM 952 CB TYR A 94 -21.003 2.057 66.387 1.00 18.13 C ATOM 953 CG TYR A 94 -20.695 0.781 65.648 1.00 20.71 C ATOM 954 CD1 TYR A 94 -21.075 -0.448 66.147 1.00 21.64 C ATOM 955 CD2 TYR A 94 -19.980 0.823 64.466 1.00 20.66 C ATOM 956 CE1 TYR A 94 -20.820 -1.621 65.437 1.00 25.50 C ATOM 957 CE2 TYR A 94 -19.726 -0.334 63.752 1.00 24.62 C ATOM 958 CZ TYR A 94 -20.129 -1.543 64.237 1.00 33.07 C ATOM 959 OH TYR A 94 -19.839 -2.674 63.489 1.00 36.97 O ATOM 960 HH TYR A 94 -18.858 -2.754 63.380 1.00 0.00 H ATOM 961 H TYR A 94 -23.638 1.952 65.742 1.00 0.00 H ATOM 962 N LYS A 95 -23.486 4.067 67.765 1.00 23.59 N ATOM 963 CA LYS A 95 -23.517 5.476 68.151 1.00 25.84 C ATOM 964 C LYS A 95 -23.280 5.619 69.648 1.00 22.46 C ATOM 965 O LYS A 95 -23.817 4.853 70.457 1.00 23.56 O ATOM 966 CB LYS A 95 -24.859 6.117 67.742 1.00 34.61 C ATOM 967 CG LYS A 95 -24.729 7.641 67.574 1.00 40.63 C ATOM 968 CD LYS A 95 -25.882 8.232 66.792 1.00 44.32 C ATOM 969 CE LYS A 95 -25.633 9.697 66.452 1.00 46.80 C ATOM 970 NZ LYS A 95 -26.777 10.294 65.674 1.00 48.22 N ATOM 971 HZ1 LYS A 95 -26.902 9.769 64.785 1.00 0.00 H ATOM 972 HZ2 LYS A 95 -27.648 10.233 66.239 1.00 0.00 H ATOM 973 HZ3 LYS A 95 -26.568 11.291 65.463 1.00 0.00 H ATOM 974 H LYS A 95 -24.323 3.610 67.349 1.00 0.00 H ATOM 975 N GLY A 96 -22.357 6.526 70.014 1.00 21.26 N ATOM 976 CA GLY A 96 -21.984 6.726 71.401 1.00 21.11 C ATOM 977 C GLY A 96 -20.805 5.894 71.858 1.00 17.76 C ATOM 978 O GLY A 96 -20.347 6.074 73.001 1.00 20.31 O ATOM 979 H GLY A 96 -21.897 7.101 69.280 1.00 0.00 H ATOM 980 N MET A 97 -20.324 4.969 71.038 1.00 17.70 N ATOM 981 CA MET A 97 -19.210 4.133 71.500 1.00 17.39 C ATOM 982 C MET A 97 -17.955 4.961 71.733 1.00 18.25 C ATOM 983 O MET A 97 -17.769 6.025 71.137 1.00 17.88 O ATOM 984 CB MET A 97 -18.898 3.025 70.484 1.00 17.51 C ATOM 985 CG MET A 97 -18.253 3.526 69.192 1.00 16.84 C ATOM 986 SD MET A 97 -17.761 2.062 68.189 1.00 18.97 S ATOM 987 CE MET A 97 -17.519 2.839 66.551 1.00 20.05 C ATOM 988 H MET A 97 -20.728 4.839 70.088 1.00 0.00 H ATOM 989 N GLY A 98 -17.082 4.471 72.612 1.00 13.78 N ATOM 990 CA GLY A 98 -15.808 5.156 72.769 1.00 14.49 C ATOM 991 C GLY A 98 -14.843 4.306 73.565 1.00 14.15 C ATOM 992 O GLY A 98 -15.195 3.231 74.051 1.00 15.00 O ATOM 993 H GLY A 98 -17.305 3.622 73.170 1.00 0.00 H ATOM 994 N THR A 99 -13.607 4.791 73.658 1.00 13.65 N ATOM 995 CA THR A 99 -12.595 4.040 74.418 1.00 13.42 C ATOM 996 C THR A 99 -11.586 4.968 75.067 1.00 13.46 C ATOM 997 O THR A 99 -11.294 6.046 74.553 1.00 14.83 O ATOM 998 CB THR A 99 -11.882 3.036 73.483 1.00 12.26 C ATOM 999 OG1 THR A 99 -10.934 2.239 74.218 1.00 13.77 O ATOM 1000 CG2 THR A 99 -11.154 3.720 72.293 1.00 13.44 C ATOM 1001 HG1 THR A 99 -10.255 2.831 74.629 1.00 0.00 H ATOM 1002 H THR A 99 -13.359 5.691 73.199 1.00 0.00 H ATOM 1003 N THR A 100 -11.020 4.537 76.189 1.00 12.11 N ATOM 1004 CA THR A 100 -9.782 5.177 76.610 1.00 12.59 C ATOM 1005 C THR A 100 -8.632 4.755 75.707 1.00 13.31 C ATOM 1006 O THR A 100 -8.684 3.760 74.961 1.00 14.53 O ATOM 1007 CB THR A 100 -9.421 4.772 78.047 1.00 13.32 C ATOM 1008 OG1 THR A 100 -8.908 3.425 78.036 1.00 14.77 O ATOM 1009 CG2 THR A 100 -10.640 4.874 78.955 1.00 15.40 C ATOM 1010 HG1 THR A 100 -8.672 3.155 78.959 1.00 0.00 H ATOM 1011 H THR A 100 -11.446 3.770 76.747 1.00 0.00 H ATOM 1012 N CYS A 101 -7.525 5.475 75.845 1.00 12.85 N ATOM 1013 CA CYS A 101 -6.293 5.006 75.237 1.00 12.08 C ATOM 1014 C CYS A 101 -5.123 5.555 76.036 1.00 13.98 C ATOM 1015 O CYS A 101 -5.042 6.760 76.232 1.00 14.59 O ATOM 1016 CB CYS A 101 -6.204 5.483 73.791 1.00 12.59 C ATOM 1017 SG CYS A 101 -4.657 5.097 72.932 1.00 17.64 S ATOM 1018 H CYS A 101 -7.540 6.365 76.383 1.00 0.00 H ATOM 1019 N VAL A 102 -4.227 4.682 76.458 1.00 11.93 N ATOM 1020 CA VAL A 102 -2.902 5.095 76.944 1.00 13.04 C ATOM 1021 C VAL A 102 -1.886 4.384 76.068 1.00 13.77 C ATOM 1022 O VAL A 102 -2.029 3.188 75.740 1.00 14.52 O ATOM 1023 CB VAL A 102 -2.699 4.794 78.437 1.00 14.95 C ATOM 1024 CG1 VAL A 102 -2.850 3.329 78.752 1.00 16.96 C ATOM 1025 CG2 VAL A 102 -1.379 5.414 78.949 1.00 15.70 C ATOM 1026 H VAL A 102 -4.466 3.670 76.446 1.00 0.00 H ATOM 1027 N CYS A 103 -0.871 5.124 75.651 1.00 14.11 N ATOM 1028 CA CYS A 103 0.107 4.486 74.782 1.00 14.57 C ATOM 1029 C CYS A 103 1.466 5.109 75.046 1.00 15.29 C ATOM 1030 O CYS A 103 1.573 6.197 75.620 1.00 16.73 O ATOM 1031 CB CYS A 103 -0.319 4.552 73.301 1.00 21.53 C ATOM 1032 SG CYS A 103 -0.688 6.168 72.664 1.00 21.00 S ATOM 1033 H CYS A 103 -0.776 6.121 75.933 1.00 0.00 H ATOM 1034 N ALA A 104 2.508 4.385 74.651 1.00 15.77 N ATOM 1035 CA ALA A 104 3.865 4.777 75.010 1.00 14.06 C ATOM 1036 C ALA A 104 4.815 4.401 73.894 1.00 14.91 C ATOM 1037 O ALA A 104 4.857 3.228 73.495 1.00 15.73 O ATOM 1038 CB ALA A 104 4.330 4.058 76.288 1.00 15.86 C ATOM 1039 H ALA A 104 2.354 3.530 74.080 1.00 0.00 H ATOM 1040 N LEU A 105 5.550 5.385 73.408 1.00 13.81 N ATOM 1041 CA LEU A 105 6.680 5.127 72.518 1.00 12.96 C ATOM 1042 C LEU A 105 7.947 5.008 73.364 1.00 15.17 C ATOM 1043 O LEU A 105 8.275 5.906 74.161 1.00 16.66 O ATOM 1044 CB LEU A 105 6.839 6.263 71.507 1.00 16.09 C ATOM 1045 CG LEU A 105 5.809 6.300 70.397 1.00 18.75 C ATOM 1046 CD1 LEU A 105 5.910 7.625 69.596 1.00 19.44 C ATOM 1047 CD2 LEU A 105 6.086 5.110 69.486 1.00 20.56 C ATOM 1048 H LEU A 105 5.319 6.366 73.665 1.00 0.00 H ATOM 1049 N VAL A 106 8.648 3.897 73.177 1.00 16.63 N ATOM 1050 CA VAL A 106 9.808 3.539 73.993 1.00 16.06 C ATOM 1051 C VAL A 106 11.094 4.030 73.344 1.00 19.82 C ATOM 1052 O VAL A 106 11.347 3.785 72.157 1.00 18.99 O ATOM 1053 CB VAL A 106 9.854 2.019 74.215 1.00 21.62 C ATOM 1054 CG1 VAL A 106 11.149 1.590 74.956 1.00 23.59 C ATOM 1055 CG2 VAL A 106 8.581 1.561 74.945 1.00 23.52 C ATOM 1056 H VAL A 106 8.359 3.251 72.415 1.00 0.00 H ATOM 1057 N PHE A 107 11.942 4.684 74.133 1.00 17.60 N ATOM 1058 CA PHE A 107 13.283 5.081 73.678 1.00 18.19 C ATOM 1059 C PHE A 107 14.335 4.571 74.655 1.00 21.70 C ATOM 1060 O PHE A 107 13.995 3.925 75.647 1.00 21.53 O ATOM 1061 CB PHE A 107 13.353 6.597 73.508 1.00 19.70 C ATOM 1062 CG PHE A 107 12.376 7.086 72.497 1.00 17.94 C ATOM 1063 CD1 PHE A 107 12.710 7.039 71.139 1.00 19.45 C ATOM 1064 CD2 PHE A 107 11.102 7.496 72.863 1.00 16.78 C ATOM 1065 CE1 PHE A 107 11.791 7.435 70.172 1.00 19.62 C ATOM 1066 CE2 PHE A 107 10.152 7.882 71.890 1.00 18.74 C ATOM 1067 CZ PHE A 107 10.535 7.854 70.524 1.00 22.39 C ATOM 1068 H PHE A 107 11.648 4.922 75.102 1.00 0.00 H ATOM 1069 N GLU A 108 15.617 4.815 74.345 1.00 25.25 N ATOM 1070 CA GLU A 108 16.668 4.163 75.117 1.00 23.21 C ATOM 1071 C GLU A 108 16.562 4.523 76.589 1.00 32.15 C ATOM 1072 O GLU A 108 16.656 3.651 77.468 1.00 32.75 O ATOM 1073 CB GLU A 108 18.053 4.501 74.564 1.00 23.83 C ATOM 1074 CG GLU A 108 19.112 3.787 75.367 1.00 28.47 C ATOM 1075 CD GLU A 108 20.493 4.058 74.909 1.00 39.68 C ATOM 1076 OE1 GLU A 108 20.688 4.804 73.926 1.00 39.75 O ATOM 1077 OE2 GLU A 108 21.398 3.529 75.588 1.00 39.08 O ATOM 1078 H GLU A 108 15.858 5.460 73.565 1.00 0.00 H ATOM 1079 N LYS A 109 16.411 5.805 76.886 1.00 23.43 N ATOM 1080 CA LYS A 109 16.449 6.203 78.284 1.00 28.44 C ATOM 1081 C LYS A 109 15.148 6.836 78.740 1.00 26.90 C ATOM 1082 O LYS A 109 15.109 7.377 79.835 1.00 24.46 O ATOM 1083 CB LYS A 109 17.618 7.165 78.538 1.00 30.44 C ATOM 1084 CG LYS A 109 19.000 6.608 78.165 1.00 34.72 C ATOM 1085 CD LYS A 109 19.416 5.491 79.104 1.00 39.11 C ATOM 1086 CE LYS A 109 20.898 5.135 78.934 1.00 41.84 C ATOM 1087 NZ LYS A 109 21.232 3.966 79.761 1.00 47.16 N ATOM 1088 HZ1 LYS A 109 21.044 4.185 80.760 1.00 0.00 H ATOM 1089 HZ2 LYS A 109 20.649 3.157 79.467 1.00 0.00 H ATOM 1090 HZ3 LYS A 109 22.238 3.733 79.639 1.00 0.00 H ATOM 1091 H LYS A 109 16.268 6.511 76.136 1.00 0.00 H ATOM 1092 N SER A 110 14.114 6.833 77.907 1.00 24.12 N ATOM 1093 CA SER A 110 12.892 7.557 78.222 1.00 21.82 C ATOM 1094 C SER A 110 11.719 6.909 77.519 1.00 20.52 C ATOM 1095 O SER A 110 11.862 6.013 76.674 1.00 19.27 O ATOM 1096 CB SER A 110 13.001 9.016 77.779 1.00 28.10 C ATOM 1097 OG SER A 110 13.112 9.061 76.361 1.00 29.12 O ATOM 1098 HG SER A 110 13.920 8.564 76.078 1.00 0.00 H ATOM 1099 H SER A 110 14.179 6.304 77.014 1.00 0.00 H ATOM 1100 N VAL A 111 10.520 7.367 77.891 1.00 17.31 N ATOM 1101 CA VAL A 111 9.315 6.969 77.197 1.00 17.10 C ATOM 1102 C VAL A 111 8.509 8.234 76.968 1.00 18.85 C ATOM 1103 O VAL A 111 8.584 9.174 77.765 1.00 20.79 O ATOM 1104 CB VAL A 111 8.530 5.914 78.041 1.00 22.04 C ATOM 1105 CG1 VAL A 111 8.140 6.472 79.437 1.00 21.02 C ATOM 1106 CG2 VAL A 111 7.336 5.420 77.362 1.00 24.97 C ATOM 1107 H VAL A 111 10.452 8.023 78.695 1.00 0.00 H ATOM 1108 N VAL A 112 7.734 8.257 75.883 1.00 15.78 N ATOM 1109 CA VAL A 112 6.815 9.350 75.610 1.00 15.00 C ATOM 1110 C VAL A 112 5.424 8.743 75.658 1.00 15.08 C ATOM 1111 O VAL A 112 5.148 7.748 74.966 1.00 16.08 O ATOM 1112 CB VAL A 112 7.116 10.031 74.258 1.00 16.29 C ATOM 1113 CG1 VAL A 112 6.073 11.153 74.002 1.00 18.37 C ATOM 1114 CG2 VAL A 112 8.512 10.575 74.253 1.00 17.73 C ATOM 1115 H VAL A 112 7.789 7.466 75.209 1.00 0.00 H ATOM 1116 N ILE A 113 4.561 9.282 76.524 1.00 15.41 N ATOM 1117 CA ILE A 113 3.254 8.680 76.793 1.00 15.00 C ATOM 1118 C ILE A 113 2.137 9.645 76.395 1.00 16.01 C ATOM 1119 O ILE A 113 2.196 10.835 76.720 1.00 15.68 O ATOM 1120 CB ILE A 113 3.149 8.336 78.284 1.00 14.13 C ATOM 1121 CG1 ILE A 113 4.108 7.189 78.626 1.00 18.52 C ATOM 1122 CG2 ILE A 113 1.659 7.975 78.669 1.00 15.36 C ATOM 1123 CD1 ILE A 113 4.382 7.022 80.060 1.00 21.38 C ATOM 1124 H ILE A 113 4.826 10.156 77.022 1.00 0.00 H ATOM 1125 N ALA A 114 1.111 9.123 75.727 1.00 14.60 N ATOM 1126 CA ALA A 114 -0.113 9.882 75.489 1.00 14.65 C ATOM 1127 C ALA A 114 -1.282 9.237 76.200 1.00 12.82 C ATOM 1128 O ALA A 114 -1.353 7.993 76.292 1.00 14.41 O ATOM 1129 CB ALA A 114 -0.434 9.927 74.018 1.00 17.24 C ATOM 1130 H ALA A 114 1.183 8.150 75.366 1.00 0.00 H ATOM 1131 N ASN A 115 -2.164 10.078 76.754 1.00 12.78 N ATOM 1132 CA ASN A 115 -3.281 9.533 77.539 1.00 11.50 C ATOM 1133 C ASN A 115 -4.584 10.256 77.270 1.00 12.96 C ATOM 1134 O ASN A 115 -4.639 11.485 77.356 1.00 14.31 O ATOM 1135 CB ASN A 115 -2.990 9.609 79.049 1.00 13.84 C ATOM 1136 CG ASN A 115 -4.066 8.866 79.841 1.00 13.15 C ATOM 1137 OD1 ASN A 115 -4.276 7.679 79.587 1.00 15.69 O ATOM 1138 ND2 ASN A 115 -4.733 9.542 80.736 1.00 15.83 N ATOM 1139 HD22 ASN A 115 -4.509 10.543 80.905 1.00 0.00 H ATOM 1140 HD21 ASN A 115 -5.489 9.079 81.280 1.00 0.00 H ATOM 1141 H ASN A 115 -2.060 11.105 76.630 1.00 0.00 H ATOM 1142 N VAL A 116 -5.643 9.469 77.046 1.00 12.97 N ATOM 1143 CA VAL A 116 -7.025 9.933 76.980 1.00 12.53 C ATOM 1144 C VAL A 116 -7.858 8.960 77.804 1.00 13.89 C ATOM 1145 O VAL A 116 -7.986 7.791 77.427 1.00 13.78 O ATOM 1146 CB VAL A 116 -7.548 9.946 75.528 1.00 12.69 C ATOM 1147 CG1 VAL A 116 -9.039 10.342 75.494 1.00 15.25 C ATOM 1148 CG2 VAL A 116 -6.709 10.890 74.650 1.00 16.53 C ATOM 1149 H VAL A 116 -5.468 8.453 76.909 1.00 0.00 H ATOM 1150 N GLY A 117 -8.404 9.422 78.918 1.00 13.48 N ATOM 1151 CA GLY A 117 -9.274 8.592 79.757 1.00 14.04 C ATOM 1152 C GLY A 117 -8.647 8.249 81.096 1.00 16.69 C ATOM 1153 O GLY A 117 -7.817 8.972 81.627 1.00 15.40 O ATOM 1154 H GLY A 117 -8.210 10.402 79.206 1.00 0.00 H ATOM 1155 N ASP A 118 -9.089 7.119 81.666 1.00 13.82 N ATOM 1156 CA ASP A 118 -8.678 6.705 83.006 1.00 13.62 C ATOM 1157 C ASP A 118 -7.956 5.360 83.005 1.00 13.81 C ATOM 1158 O ASP A 118 -7.787 4.769 84.083 1.00 15.01 O ATOM 1159 CB ASP A 118 -9.868 6.659 83.976 1.00 16.43 C ATOM 1160 CG ASP A 118 -10.799 5.488 83.713 1.00 15.35 C ATOM 1161 OD1 ASP A 118 -10.722 4.861 82.643 1.00 16.15 O ATOM 1162 OD2 ASP A 118 -11.624 5.209 84.595 1.00 16.16 O ATOM 1163 H ASP A 118 -9.748 6.515 81.135 1.00 0.00 H ATOM 1164 N SER A 119 -7.436 4.922 81.848 1.00 13.97 N ATOM 1165 CA SER A 119 -6.334 3.950 81.863 1.00 15.13 C ATOM 1166 C SER A 119 -5.069 4.675 82.328 1.00 14.76 C ATOM 1167 O SER A 119 -5.042 5.910 82.411 1.00 15.87 O ATOM 1168 CB SER A 119 -6.179 3.286 80.475 1.00 13.99 C ATOM 1169 OG SER A 119 -7.440 2.671 80.133 1.00 15.42 O ATOM 1170 HG SER A 119 -7.670 1.991 80.815 1.00 0.00 H ATOM 1171 H SER A 119 -7.812 5.270 80.943 1.00 0.00 H ATOM 1172 N ARG A 120 -4.056 3.911 82.753 1.00 14.62 N ATOM 1173 CA ARG A 120 -2.908 4.514 83.447 1.00 13.31 C ATOM 1174 C ARG A 120 -1.577 4.031 82.906 1.00 15.41 C ATOM 1175 O ARG A 120 -1.488 2.921 82.363 1.00 14.32 O ATOM 1176 CB ARG A 120 -2.979 4.162 84.940 1.00 14.22 C ATOM 1177 CG ARG A 120 -4.169 4.845 85.627 1.00 16.23 C ATOM 1178 CD ARG A 120 -4.157 4.583 87.150 1.00 15.90 C ATOM 1179 NE ARG A 120 -5.237 5.343 87.757 1.00 15.50 N ATOM 1180 CZ ARG A 120 -5.580 5.215 89.032 1.00 15.52 C ATOM 1181 NH1 ARG A 120 -4.905 4.379 89.839 1.00 18.39 N ATOM 1182 NH2 ARG A 120 -6.590 5.926 89.579 1.00 20.24 N ATOM 1183 HE ARG A 120 -5.764 6.017 87.166 1.00 0.00 H ATOM 1184 HH12 ARG A 120 -5.180 4.285 90.837 1.00 0.00 H ATOM 1185 HH11 ARG A 120 -4.107 3.826 89.465 1.00 0.00 H ATOM 1186 HH22 ARG A 120 -6.831 5.799 90.583 1.00 0.00 H ATOM 1187 HH21 ARG A 120 -7.127 6.600 88.996 1.00 0.00 H ATOM 1188 H ARG A 120 -4.081 2.884 82.591 1.00 0.00 H ATOM 1189 N ALA A 121 -0.529 4.864 83.136 1.00 14.20 N ATOM 1190 CA ALA A 121 0.865 4.464 82.996 1.00 14.67 C ATOM 1191 C ALA A 121 1.560 4.761 84.299 1.00 13.87 C ATOM 1192 O ALA A 121 1.356 5.823 84.898 1.00 17.00 O ATOM 1193 CB ALA A 121 1.557 5.220 81.849 1.00 15.19 C ATOM 1194 H ALA A 121 -0.733 5.841 83.428 1.00 0.00 H ATOM 1195 N TYR A 122 2.422 3.835 84.709 1.00 15.38 N ATOM 1196 CA TYR A 122 3.226 3.952 85.913 1.00 15.41 C ATOM 1197 C TYR A 122 4.670 3.573 85.646 1.00 18.26 C ATOM 1198 O TYR A 122 4.936 2.731 84.776 1.00 19.57 O ATOM 1199 CB TYR A 122 2.760 2.980 86.957 1.00 16.99 C ATOM 1200 CG TYR A 122 1.433 3.167 87.617 1.00 14.91 C ATOM 1201 CD1 TYR A 122 0.258 2.690 87.045 1.00 15.45 C ATOM 1202 CD2 TYR A 122 1.388 3.684 88.913 1.00 16.56 C ATOM 1203 CE1 TYR A 122 -0.944 2.761 87.761 1.00 16.00 C ATOM 1204 CE2 TYR A 122 0.192 3.799 89.632 1.00 16.95 C ATOM 1205 CZ TYR A 122 -0.975 3.335 89.033 1.00 15.81 C ATOM 1206 OH TYR A 122 -2.147 3.407 89.744 1.00 18.68 O ATOM 1207 HH TYR A 122 -2.060 2.877 90.576 1.00 0.00 H ATOM 1208 H TYR A 122 2.527 2.975 84.133 1.00 0.00 H ATOM 1209 N VAL A 123 5.596 4.169 86.419 1.00 15.63 N ATOM 1210 CA VAL A 123 6.950 3.625 86.575 1.00 16.89 C ATOM 1211 C VAL A 123 7.118 3.198 88.023 1.00 21.36 C ATOM 1212 O VAL A 123 6.557 3.796 88.956 1.00 20.92 O ATOM 1213 CB VAL A 123 8.073 4.586 86.130 1.00 22.21 C ATOM 1214 CG1 VAL A 123 8.099 4.670 84.607 1.00 25.98 C ATOM 1215 CG2 VAL A 123 7.950 5.979 86.763 1.00 25.20 C ATOM 1216 H VAL A 123 5.344 5.044 86.922 1.00 0.00 H ATOM 1217 N ILE A 124 7.850 2.119 88.207 1.00 18.75 N ATOM 1218 CA ILE A 124 7.977 1.482 89.511 1.00 18.54 C ATOM 1219 C ILE A 124 9.446 1.139 89.728 1.00 21.62 C ATOM 1220 O ILE A 124 10.107 0.632 88.812 1.00 21.47 O ATOM 1221 CB ILE A 124 7.133 0.197 89.597 1.00 20.57 C ATOM 1222 CG1 ILE A 124 5.661 0.446 89.225 1.00 20.69 C ATOM 1223 CG2 ILE A 124 7.245 -0.420 90.989 1.00 23.31 C ATOM 1224 CD1 ILE A 124 5.274 0.034 87.818 1.00 21.06 C ATOM 1225 H ILE A 124 8.354 1.708 87.395 1.00 0.00 H ATOM 1226 N ASN A 125 9.958 1.367 90.935 1.00 20.95 N ATOM 1227 CA ASN A 125 11.265 0.827 91.335 1.00 21.94 C ATOM 1228 C ASN A 125 11.122 0.278 92.759 1.00 21.86 C ATOM 1229 O ASN A 125 9.999 0.136 93.265 1.00 25.52 O ATOM 1230 CB ASN A 125 12.382 1.867 91.135 1.00 23.06 C ATOM 1231 CG ASN A 125 12.311 3.056 92.096 1.00 27.26 C ATOM 1232 OD1 ASN A 125 11.689 2.994 93.150 1.00 25.92 O ATOM 1233 ND2 ASN A 125 13.027 4.133 91.757 1.00 26.43 N ATOM 1234 HD22 ASN A 125 13.543 4.151 90.854 1.00 0.00 H ATOM 1235 HD21 ASN A 125 13.068 4.952 92.396 1.00 0.00 H ATOM 1236 H ASN A 125 9.419 1.943 91.613 1.00 0.00 H ATOM 1237 N SER A 126 12.249 -0.076 93.367 1.00 28.08 N ATOM 1238 CA SER A 126 12.220 -0.751 94.657 1.00 29.06 C ATOM 1239 C SER A 126 11.684 0.142 95.769 1.00 32.87 C ATOM 1240 O SER A 126 11.234 -0.369 96.801 1.00 36.75 O ATOM 1241 CB SER A 126 13.612 -1.282 94.955 1.00 31.76 C ATOM 1242 OG SER A 126 14.545 -0.216 95.063 1.00 34.61 O ATOM 1243 HG SER A 126 15.443 -0.584 95.257 1.00 0.00 H ATOM 1244 H SER A 126 13.163 0.131 92.916 1.00 0.00 H ATOM 1245 N ARG A 127 11.676 1.458 95.571 1.00 26.19 N ATOM 1246 CA ARG A 127 11.231 2.373 96.611 1.00 25.63 C ATOM 1247 C ARG A 127 9.946 3.115 96.277 1.00 23.32 C ATOM 1248 O ARG A 127 9.349 3.700 97.185 1.00 32.96 O ATOM 1249 CB ARG A 127 12.314 3.413 96.900 1.00 26.64 C ATOM 1250 CG ARG A 127 13.561 2.839 97.549 1.00 35.15 C ATOM 1251 CD ARG A 127 14.012 3.726 98.656 1.00 36.21 C ATOM 1252 NE ARG A 127 15.346 3.449 99.143 1.00 47.08 N ATOM 1253 CZ ARG A 127 15.554 3.066 100.387 1.00 47.97 C ATOM 1254 NH1 ARG A 127 14.501 2.894 101.180 1.00 48.17 N ATOM 1255 NH2 ARG A 127 16.774 2.831 100.839 1.00 42.15 N ATOM 1256 HE ARG A 127 16.156 3.554 98.499 1.00 0.00 H ATOM 1257 HH12 ARG A 127 14.636 2.592 102.166 1.00 0.00 H ATOM 1258 HH11 ARG A 127 13.542 3.061 100.814 1.00 0.00 H ATOM 1259 HH22 ARG A 127 16.914 2.530 101.824 1.00 0.00 H ATOM 1260 HH21 ARG A 127 17.593 2.947 100.209 1.00 0.00 H ATOM 1261 H ARG A 127 11.993 1.839 94.657 1.00 0.00 H ATOM 1262 N GLN A 128 9.531 3.164 95.018 1.00 20.39 N ATOM 1263 CA GLN A 128 8.374 3.995 94.704 1.00 21.84 C ATOM 1264 C GLN A 128 7.619 3.461 93.517 1.00 22.57 C ATOM 1265 O GLN A 128 8.142 2.740 92.660 1.00 21.99 O ATOM 1266 CB GLN A 128 8.758 5.448 94.456 1.00 30.98 C ATOM 1267 CG GLN A 128 9.647 5.667 93.286 1.00 31.03 C ATOM 1268 CD GLN A 128 9.946 7.137 93.068 1.00 41.64 C ATOM 1269 OE1 GLN A 128 11.089 7.597 93.236 1.00 41.60 O ATOM 1270 NE2 GLN A 128 8.919 7.885 92.677 1.00 35.63 N ATOM 1271 HE22 GLN A 128 7.981 7.455 92.550 1.00 0.00 H ATOM 1272 HE21 GLN A 128 9.054 8.901 92.498 1.00 0.00 H ATOM 1273 H GLN A 128 10.018 2.624 94.274 1.00 0.00 H ATOM 1274 N ILE A 129 6.349 3.872 93.448 1.00 23.45 N ATOM 1275 CA ILE A 129 5.502 3.668 92.286 1.00 19.00 C ATOM 1276 C ILE A 129 4.883 5.020 91.976 1.00 18.88 C ATOM 1277 O ILE A 129 4.235 5.624 92.845 1.00 26.27 O ATOM 1278 CB ILE A 129 4.458 2.565 92.539 1.00 20.96 C ATOM 1279 CG1 ILE A 129 3.418 2.505 91.440 1.00 19.59 C ATOM 1280 CG2 ILE A 129 3.713 2.763 93.897 1.00 22.05 C ATOM 1281 CD1 ILE A 129 2.670 1.193 91.414 1.00 23.87 C ATOM 1282 H ILE A 129 5.946 4.364 94.271 1.00 0.00 H ATOM 1283 N GLU A 130 5.131 5.514 90.765 1.00 20.16 N ATOM 1284 CA GLU A 130 4.711 6.836 90.314 1.00 21.97 C ATOM 1285 C GLU A 130 3.711 6.656 89.196 1.00 19.82 C ATOM 1286 O GLU A 130 4.017 6.043 88.157 1.00 17.85 O ATOM 1287 CB GLU A 130 5.888 7.682 89.810 1.00 23.92 C ATOM 1288 CG GLU A 130 5.351 9.005 89.295 1.00 29.59 C ATOM 1289 CD GLU A 130 6.358 9.940 88.738 1.00 42.25 C ATOM 1290 OE1 GLU A 130 7.561 9.601 88.714 1.00 43.49 O ATOM 1291 OE2 GLU A 130 5.926 11.032 88.314 1.00 42.45 O ATOM 1292 H GLU A 130 5.659 4.918 90.096 1.00 0.00 H ATOM 1293 N GLN A 131 2.498 7.201 89.399 1.00 18.67 N ATOM 1294 CA GLN A 131 1.517 7.258 88.321 1.00 18.35 C ATOM 1295 C GLN A 131 1.854 8.465 87.450 1.00 20.76 C ATOM 1296 O GLN A 131 1.903 9.600 87.947 1.00 21.96 O ATOM 1297 CB GLN A 131 0.120 7.356 88.912 1.00 16.80 C ATOM 1298 CG GLN A 131 -0.970 7.263 87.803 1.00 17.75 C ATOM 1299 CD GLN A 131 -2.371 7.383 88.330 1.00 17.27 C ATOM 1300 OE1 GLN A 131 -2.712 6.920 89.419 1.00 19.90 O ATOM 1301 NE2 GLN A 131 -3.220 8.011 87.519 1.00 20.59 N ATOM 1302 HE22 GLN A 131 -2.888 8.386 86.608 1.00 0.00 H ATOM 1303 HE21 GLN A 131 -4.216 8.126 87.797 1.00 0.00 H ATOM 1304 H GLN A 131 2.257 7.586 90.335 1.00 0.00 H ATOM 1305 N ILE A 132 2.154 8.208 86.175 1.00 16.92 N ATOM 1306 CA ILE A 132 2.604 9.272 85.284 1.00 17.20 C ATOM 1307 C ILE A 132 1.402 10.053 84.759 1.00 18.49 C ATOM 1308 O ILE A 132 1.417 11.296 84.717 1.00 19.93 O ATOM 1309 CB ILE A 132 3.419 8.663 84.136 1.00 18.55 C ATOM 1310 CG1 ILE A 132 4.699 7.998 84.661 1.00 21.99 C ATOM 1311 CG2 ILE A 132 3.705 9.697 83.095 1.00 20.93 C ATOM 1312 CD1 ILE A 132 5.396 7.187 83.573 1.00 28.83 C ATOM 1313 H ILE A 132 2.066 7.237 85.812 1.00 0.00 H ATOM 1314 N THR A 133 0.327 9.344 84.464 1.00 16.04 N ATOM 1315 CA THR A 133 -0.854 9.936 83.836 1.00 15.96 C ATOM 1316 C THR A 133 -1.798 10.458 84.908 1.00 17.34 C ATOM 1317 O THR A 133 -1.705 10.107 86.072 1.00 20.18 O ATOM 1318 CB THR A 133 -1.564 8.897 82.962 1.00 16.08 C ATOM 1319 OG1 THR A 133 -1.867 7.735 83.761 1.00 16.28 O ATOM 1320 CG2 THR A 133 -0.658 8.452 81.760 1.00 16.83 C ATOM 1321 HG1 THR A 133 -2.456 7.997 84.512 1.00 0.00 H ATOM 1322 H THR A 133 0.320 8.328 84.686 1.00 0.00 H ATOM 1323 N SER A 134 -2.727 11.304 84.482 1.00 16.00 N ATOM 1324 CA SER A 134 -3.795 11.813 85.331 1.00 17.81 C ATOM 1325 C SER A 134 -5.143 11.315 84.795 1.00 16.18 C ATOM 1326 O SER A 134 -5.452 11.526 83.621 1.00 19.99 O ATOM 1327 CB SER A 134 -3.781 13.340 85.314 1.00 23.37 C ATOM 1328 OG SER A 134 -4.803 13.871 86.143 1.00 27.89 O ATOM 1329 HG SER A 134 -5.685 13.559 85.819 1.00 0.00 H ATOM 1330 H SER A 134 -2.691 11.620 83.492 1.00 0.00 H ATOM 1331 N ASP A 135 -5.937 10.637 85.632 1.00 19.40 N ATOM 1332 CA ASP A 135 -7.206 10.092 85.147 1.00 16.92 C ATOM 1333 C ASP A 135 -8.140 11.192 84.681 1.00 17.76 C ATOM 1334 O ASP A 135 -8.488 12.087 85.449 1.00 18.40 O ATOM 1335 CB ASP A 135 -7.960 9.352 86.253 1.00 15.59 C ATOM 1336 CG ASP A 135 -7.388 8.007 86.625 1.00 17.89 C ATOM 1337 OD1 ASP A 135 -6.262 7.669 86.255 1.00 18.43 O ATOM 1338 OD2 ASP A 135 -8.057 7.322 87.467 1.00 20.07 O ATOM 1339 H ASP A 135 -5.654 10.498 86.623 1.00 0.00 H ATOM 1340 N HIS A 136 -8.673 11.030 83.478 1.00 17.94 N ATOM 1341 CA HIS A 136 -9.776 11.876 83.012 1.00 15.76 C ATOM 1342 C HIS A 136 -11.089 11.248 83.445 1.00 19.22 C ATOM 1343 O HIS A 136 -11.799 10.654 82.648 1.00 21.65 O ATOM 1344 CB HIS A 136 -9.709 12.014 81.500 1.00 16.13 C ATOM 1345 CG HIS A 136 -8.385 12.553 81.042 1.00 14.14 C ATOM 1346 ND1 HIS A 136 -7.686 12.032 79.967 1.00 13.74 N ATOM 1347 CD2 HIS A 136 -7.644 13.578 81.529 1.00 18.60 C ATOM 1348 CE1 HIS A 136 -6.546 12.704 79.837 1.00 16.85 C ATOM 1349 NE2 HIS A 136 -6.485 13.633 80.783 1.00 18.12 N ATOM 1350 H HIS A 136 -8.301 10.288 82.852 1.00 0.00 H ATOM 1351 N SER A 137 -11.354 11.322 84.741 1.00 19.51 N ATOM 1352 CA SER A 137 -12.560 10.735 85.312 1.00 18.98 C ATOM 1353 C SER A 137 -13.334 11.790 86.076 1.00 20.87 C ATOM 1354 O SER A 137 -12.793 12.793 86.571 1.00 19.82 O ATOM 1355 CB SER A 137 -12.265 9.555 86.255 1.00 21.54 C ATOM 1356 OG SER A 137 -11.557 10.008 87.366 1.00 23.04 O ATOM 1357 HG SER A 137 -11.370 9.246 87.970 1.00 0.00 H ATOM 1358 H SER A 137 -10.684 11.812 85.368 1.00 0.00 H ATOM 1359 N PHE A 138 -14.645 11.573 86.147 1.00 18.73 N ATOM 1360 CA PHE A 138 -15.466 12.503 86.888 1.00 21.22 C ATOM 1361 C PHE A 138 -15.093 12.529 88.372 1.00 18.74 C ATOM 1362 O PHE A 138 -15.079 13.599 88.976 1.00 22.41 O ATOM 1363 CB PHE A 138 -16.946 12.151 86.681 1.00 19.89 C ATOM 1364 CG PHE A 138 -17.885 13.096 87.362 1.00 24.06 C ATOM 1365 CD1 PHE A 138 -17.856 14.448 87.068 1.00 28.29 C ATOM 1366 CD2 PHE A 138 -18.739 12.645 88.351 1.00 25.29 C ATOM 1367 CE1 PHE A 138 -18.709 15.341 87.736 1.00 30.72 C ATOM 1368 CE2 PHE A 138 -19.628 13.525 89.005 1.00 33.69 C ATOM 1369 CZ PHE A 138 -19.600 14.872 88.704 1.00 30.32 C ATOM 1370 H PHE A 138 -15.071 10.749 85.677 1.00 0.00 H ATOM 1371 N VAL A 139 -14.766 11.375 88.962 1.00 21.79 N ATOM 1372 CA VAL A 139 -14.404 11.392 90.376 1.00 24.14 C ATOM 1373 C VAL A 139 -13.029 12.037 90.560 1.00 20.55 C ATOM 1374 O VAL A 139 -12.794 12.629 91.622 1.00 22.81 O ATOM 1375 CB VAL A 139 -14.435 9.997 91.054 1.00 25.18 C ATOM 1376 CG1 VAL A 139 -15.861 9.543 91.301 1.00 25.86 C ATOM 1377 CG2 VAL A 139 -13.589 8.961 90.304 1.00 27.67 C ATOM 1378 H VAL A 139 -14.769 10.484 88.425 1.00 0.00 H ATOM 1379 N ASN A 140 -12.108 11.927 89.595 1.00 22.05 N ATOM 1380 CA ASN A 140 -10.859 12.683 89.756 1.00 23.68 C ATOM 1381 C ASN A 140 -11.165 14.169 89.745 1.00 25.38 C ATOM 1382 O ASN A 140 -10.606 14.931 90.541 1.00 26.13 O ATOM 1383 CB ASN A 140 -9.826 12.329 88.682 1.00 21.32 C ATOM 1384 CG ASN A 140 -8.413 12.739 89.080 1.00 24.30 C ATOM 1385 OD1 ASN A 140 -8.113 12.920 90.281 1.00 29.45 O ATOM 1386 ND2 ASN A 140 -7.538 12.891 88.094 1.00 23.85 N ATOM 1387 HD22 ASN A 140 -7.831 12.730 87.109 1.00 0.00 H ATOM 1388 HD21 ASN A 140 -6.559 13.171 88.306 1.00 0.00 H ATOM 1389 H ASN A 140 -12.271 11.328 88.761 1.00 0.00 H ATOM 1390 N HIS A 141 -12.092 14.602 88.869 1.00 20.79 N ATOM 1391 CA HIS A 141 -12.577 15.973 88.932 1.00 24.43 C ATOM 1392 C HIS A 141 -13.142 16.300 90.309 1.00 34.02 C ATOM 1393 O HIS A 141 -12.840 17.362 90.880 1.00 34.04 O ATOM 1394 CB HIS A 141 -13.630 16.219 87.835 1.00 28.56 C ATOM 1395 CG HIS A 141 -14.334 17.527 87.968 1.00 32.46 C ATOM 1396 ND1 HIS A 141 -13.802 18.704 87.490 1.00 39.50 N ATOM 1397 CD2 HIS A 141 -15.512 17.855 88.549 1.00 39.53 C ATOM 1398 CE1 HIS A 141 -14.614 19.702 87.781 1.00 38.28 C ATOM 1399 NE2 HIS A 141 -15.662 19.214 88.422 1.00 42.82 N ATOM 1400 H HIS A 141 -12.463 13.954 88.145 1.00 0.00 H ATOM 1401 N LEU A 142 -13.943 15.393 90.887 1.00 23.38 N ATOM 1402 CA LEU A 142 -14.495 15.687 92.197 1.00 28.24 C ATOM 1403 C LEU A 142 -13.411 15.729 93.261 1.00 25.78 C ATOM 1404 O LEU A 142 -13.534 16.489 94.218 1.00 30.72 O ATOM 1405 CB LEU A 142 -15.563 14.668 92.569 1.00 28.96 C ATOM 1406 CG LEU A 142 -16.793 14.736 91.666 1.00 28.40 C ATOM 1407 CD1 LEU A 142 -17.750 13.651 92.101 1.00 31.63 C ATOM 1408 CD2 LEU A 142 -17.489 16.092 91.776 1.00 34.21 C ATOM 1409 H LEU A 142 -14.164 14.497 90.407 1.00 0.00 H ATOM 1410 N VAL A 143 -12.343 14.945 93.099 1.00 25.57 N ATOM 1411 CA VAL A 143 -11.275 14.978 94.108 1.00 27.36 C ATOM 1412 C VAL A 143 -10.462 16.260 93.985 1.00 33.76 C ATOM 1413 O VAL A 143 -10.090 16.886 94.996 1.00 34.58 O ATOM 1414 CB VAL A 143 -10.378 13.730 93.980 1.00 25.97 C ATOM 1415 CG1 VAL A 143 -9.095 13.886 94.817 1.00 31.02 C ATOM 1416 CG2 VAL A 143 -11.143 12.491 94.458 1.00 29.49 C ATOM 1417 H VAL A 143 -12.268 14.320 92.271 1.00 0.00 H ATOM 1418 N LEU A 144 -10.153 16.659 92.755 1.00 30.16 N ATOM 1419 CA LEU A 144 -9.339 17.853 92.534 1.00 34.42 C ATOM 1420 C LEU A 144 -10.081 19.118 92.947 1.00 35.13 C ATOM 1421 O LEU A 144 -9.480 20.031 93.522 1.00 39.67 O ATOM 1422 CB LEU A 144 -8.920 17.933 91.064 1.00 31.16 C ATOM 1423 CG LEU A 144 -8.146 16.746 90.508 1.00 38.60 C ATOM 1424 CD1 LEU A 144 -7.855 16.912 89.005 1.00 39.76 C ATOM 1425 CD2 LEU A 144 -6.875 16.489 91.292 1.00 45.68 C ATOM 1426 H LEU A 144 -10.495 16.114 91.938 1.00 0.00 H ATOM 1427 N THR A 145 -11.381 19.206 92.669 1.00 35.21 N ATOM 1428 CA THR A 145 -12.132 20.334 93.200 1.00 37.77 C ATOM 1429 C THR A 145 -12.383 20.210 94.688 1.00 39.62 C ATOM 1430 O THR A 145 -13.108 21.047 95.239 1.00 45.17 O ATOM 1431 CB THR A 145 -13.494 20.493 92.501 1.00 40.71 C ATOM 1432 OG1 THR A 145 -14.243 19.280 92.644 1.00 41.01 O ATOM 1433 CG2 THR A 145 -13.326 20.826 91.032 1.00 40.80 C ATOM 1434 HG1 THR A 145 -13.742 18.533 92.230 1.00 0.00 H ATOM 1435 H THR A 145 -11.849 18.484 92.085 1.00 0.00 H ATOM 1436 N GLY A 146 -11.850 19.171 95.338 1.00 38.39 N ATOM 1437 CA GLY A 146 -12.062 18.976 96.766 1.00 33.87 C ATOM 1438 C GLY A 146 -13.496 18.755 97.208 1.00 33.55 C ATOM 1439 O GLY A 146 -13.829 19.058 98.360 1.00 35.91 O ATOM 1440 H GLY A 146 -11.271 18.486 94.812 1.00 0.00 H ATOM 1441 N GLN A 147 -14.372 18.256 96.309 1.00 34.39 N ATOM 1442 CA GLN A 147 -15.751 17.930 96.669 1.00 33.02 C ATOM 1443 C GLN A 147 -15.874 16.574 97.373 1.00 32.08 C ATOM 1444 O GLN A 147 -16.833 16.357 98.117 1.00 38.35 O ATOM 1445 CB GLN A 147 -16.647 17.968 95.415 1.00 39.76 C ATOM 1446 CG GLN A 147 -16.725 19.357 94.753 1.00 44.48 C ATOM 1447 CD GLN A 147 -17.607 19.416 93.484 1.00 46.00 C ATOM 1448 OE1 GLN A 147 -18.833 19.263 93.549 1.00 48.52 O ATOM 1449 NE2 GLN A 147 -16.978 19.654 92.336 1.00 43.30 N ATOM 1450 HE22 GLN A 147 -15.945 19.777 92.325 1.00 0.00 H ATOM 1451 HE21 GLN A 147 -17.519 19.717 91.450 1.00 0.00 H ATOM 1452 H GLN A 147 -14.056 18.099 95.331 1.00 0.00 H ATOM 1453 N ILE A 148 -14.953 15.647 97.124 1.00 28.99 N ATOM 1454 CA ILE A 148 -14.893 14.345 97.779 1.00 31.23 C ATOM 1455 C ILE A 148 -13.432 14.022 98.079 1.00 33.83 C ATOM 1456 O ILE A 148 -12.507 14.545 97.441 1.00 30.26 O ATOM 1457 CB ILE A 148 -15.509 13.200 96.916 1.00 30.56 C ATOM 1458 CG1 ILE A 148 -14.635 12.866 95.711 1.00 28.48 C ATOM 1459 CG2 ILE A 148 -16.969 13.534 96.519 1.00 27.13 C ATOM 1460 CD1 ILE A 148 -15.156 11.647 94.903 1.00 29.02 C ATOM 1461 H ILE A 148 -14.226 15.866 96.413 1.00 0.00 H ATOM 1462 N THR A 149 -13.222 13.108 99.035 1.00 33.98 N ATOM 1463 CA THR A 149 -11.867 12.583 99.207 1.00 30.61 C ATOM 1464 C THR A 149 -11.593 11.404 98.276 1.00 38.27 C ATOM 1465 O THR A 149 -12.517 10.740 97.782 1.00 32.86 O ATOM 1466 CB THR A 149 -11.660 12.123 100.641 1.00 35.37 C ATOM 1467 OG1 THR A 149 -12.517 10.998 100.869 1.00 38.55 O ATOM 1468 CG2 THR A 149 -12.017 13.222 101.656 1.00 33.05 C ATOM 1469 HG1 THR A 149 -13.459 11.268 100.727 1.00 0.00 H ATOM 1470 H THR A 149 -14.002 12.780 99.640 1.00 0.00 H ATOM 1471 N PRO A 150 -10.318 11.095 98.022 1.00 32.94 N ATOM 1472 CA PRO A 150 -10.013 9.972 97.115 1.00 29.41 C ATOM 1473 C PRO A 150 -10.562 8.635 97.590 1.00 35.60 C ATOM 1474 O PRO A 150 -10.788 7.741 96.752 1.00 35.79 O ATOM 1475 CB PRO A 150 -8.472 9.970 97.046 1.00 33.37 C ATOM 1476 CG PRO A 150 -8.017 10.816 98.198 1.00 38.57 C ATOM 1477 CD PRO A 150 -9.106 11.820 98.453 1.00 31.29 C ATOM 1478 N GLU A 151 -10.765 8.467 98.902 1.00 36.75 N ATOM 1479 CA GLU A 151 -11.364 7.239 99.413 1.00 37.53 C ATOM 1480 C GLU A 151 -12.835 7.144 99.017 1.00 38.32 C ATOM 1481 O GLU A 151 -13.279 6.089 98.552 1.00 40.62 O ATOM 1482 CB GLU A 151 -11.196 7.149 100.930 1.00 37.46 C ATOM 1483 CG GLU A 151 -9.754 6.900 101.399 1.00 40.03 C ATOM 1484 CD GLU A 151 -8.889 8.160 101.452 1.00 44.44 C ATOM 1485 OE1 GLU A 151 -9.416 9.294 101.296 1.00 37.39 O ATOM 1486 OE2 GLU A 151 -7.672 8.000 101.702 1.00 40.49 O ATOM 1487 H GLU A 151 -10.493 9.221 99.565 1.00 0.00 H ATOM 1488 N GLU A 152 -13.595 8.242 99.159 1.00 35.27 N ATOM 1489 CA GLU A 152 -14.991 8.234 98.691 1.00 30.64 C ATOM 1490 C GLU A 152 -15.113 7.839 97.225 1.00 37.70 C ATOM 1491 O GLU A 152 -16.145 7.278 96.831 1.00 44.22 O ATOM 1492 CB GLU A 152 -15.681 9.596 98.889 1.00 34.17 C ATOM 1493 CG GLU A 152 -15.900 10.022 100.315 1.00 41.06 C ATOM 1494 CD GLU A 152 -15.729 11.507 100.516 1.00 50.73 C ATOM 1495 OE1 GLU A 152 -16.684 12.279 100.272 1.00 58.18 O ATOM 1496 OE2 GLU A 152 -14.628 11.903 100.901 1.00 61.66 O ATOM 1497 H GLU A 152 -13.198 9.097 99.599 1.00 0.00 H ATOM 1498 N ALA A 153 -14.106 8.153 96.391 1.00 36.34 N ATOM 1499 CA ALA A 153 -14.215 7.909 94.950 1.00 31.58 C ATOM 1500 C ALA A 153 -14.520 6.445 94.650 1.00 42.11 C ATOM 1501 O ALA A 153 -15.261 6.147 93.708 1.00 44.02 O ATOM 1502 CB ALA A 153 -12.929 8.351 94.245 1.00 33.18 C ATOM 1503 H ALA A 153 -13.236 8.575 96.774 1.00 0.00 H ATOM 1504 N PHE A 154 -14.016 5.523 95.481 1.00 37.35 N ATOM 1505 CA PHE A 154 -14.284 4.098 95.309 1.00 41.49 C ATOM 1506 C PHE A 154 -15.732 3.704 95.598 1.00 43.07 C ATOM 1507 O PHE A 154 -16.123 2.586 95.246 1.00 48.28 O ATOM 1508 CB PHE A 154 -13.345 3.288 96.201 1.00 45.13 C ATOM 1509 CG PHE A 154 -11.905 3.377 95.790 1.00 45.23 C ATOM 1510 CD1 PHE A 154 -11.378 2.472 94.880 1.00 47.68 C ATOM 1511 CD2 PHE A 154 -11.076 4.369 96.303 1.00 44.74 C ATOM 1512 CE1 PHE A 154 -10.050 2.546 94.489 1.00 47.49 C ATOM 1513 CE2 PHE A 154 -9.737 4.450 95.915 1.00 46.12 C ATOM 1514 CZ PHE A 154 -9.226 3.542 95.005 1.00 44.92 C ATOM 1515 H PHE A 154 -13.416 5.831 96.272 1.00 0.00 H ATOM 1516 N THR A 155 -16.532 4.571 96.223 1.00 38.43 N ATOM 1517 CA THR A 155 -17.921 4.246 96.531 1.00 45.41 C ATOM 1518 C THR A 155 -18.911 5.206 95.884 1.00 42.05 C ATOM 1519 O THR A 155 -20.118 5.114 96.152 1.00 40.49 O ATOM 1520 CB THR A 155 -18.136 4.239 98.047 1.00 46.07 C ATOM 1521 OG1 THR A 155 -18.360 5.578 98.500 1.00 54.26 O ATOM 1522 CG2 THR A 155 -16.910 3.689 98.750 1.00 52.21 C ATOM 1523 HG1 THR A 155 -19.163 5.946 98.053 1.00 0.00 H ATOM 1524 H THR A 155 -16.156 5.501 96.497 1.00 0.00 H ATOM 1525 N HIS A 156 -18.446 6.113 95.056 1.00 37.98 N ATOM 1526 CA HIS A 156 -19.307 7.175 94.548 1.00 33.67 C ATOM 1527 C HIS A 156 -20.181 6.642 93.410 1.00 32.73 C ATOM 1528 O HIS A 156 -19.720 5.849 92.582 1.00 28.59 O ATOM 1529 CB HIS A 156 -18.443 8.347 94.036 1.00 34.77 C ATOM 1530 CG HIS A 156 -19.218 9.583 93.694 1.00 30.65 C ATOM 1531 ND1 HIS A 156 -19.978 9.694 92.548 1.00 30.26 N ATOM 1532 CD2 HIS A 156 -19.357 10.759 94.349 1.00 33.43 C ATOM 1533 CE1 HIS A 156 -20.516 10.896 92.491 1.00 31.60 C ATOM 1534 NE2 HIS A 156 -20.161 11.560 93.575 1.00 33.48 N ATOM 1535 H HIS A 156 -17.450 6.074 94.758 1.00 0.00 H ATOM 1536 N PRO A 157 -21.438 7.054 93.347 1.00 30.57 N ATOM 1537 CA PRO A 157 -22.335 6.472 92.336 1.00 32.23 C ATOM 1538 C PRO A 157 -21.900 6.724 90.905 1.00 38.50 C ATOM 1539 O PRO A 157 -22.182 5.906 90.018 1.00 34.57 O ATOM 1540 CB PRO A 157 -23.688 7.125 92.649 1.00 30.29 C ATOM 1541 CG PRO A 157 -23.394 8.311 93.521 1.00 36.40 C ATOM 1542 CD PRO A 157 -22.128 7.983 94.264 1.00 32.85 C ATOM 1543 N GLN A 158 -21.174 7.809 90.648 1.00 29.36 N ATOM 1544 CA GLN A 158 -20.694 8.086 89.302 1.00 28.20 C ATOM 1545 C GLN A 158 -19.202 7.814 89.156 1.00 25.92 C ATOM 1546 O GLN A 158 -18.569 8.371 88.263 1.00 24.24 O ATOM 1547 CB GLN A 158 -21.033 9.523 88.911 1.00 30.51 C ATOM 1548 CG GLN A 158 -22.539 9.662 88.646 1.00 36.60 C ATOM 1549 CD GLN A 158 -23.053 11.079 88.740 1.00 49.12 C ATOM 1550 OE1 GLN A 158 -22.663 11.833 89.629 1.00 50.87 O ATOM 1551 NE2 GLN A 158 -23.946 11.449 87.819 1.00 49.15 N ATOM 1552 HE22 GLN A 158 -24.246 10.776 87.085 1.00 0.00 H ATOM 1553 HE21 GLN A 158 -24.342 12.411 87.835 1.00 0.00 H ATOM 1554 H GLN A 158 -20.946 8.468 91.419 1.00 0.00 H ATOM 1555 N ARG A 159 -18.641 6.896 89.959 1.00 24.08 N ATOM 1556 CA ARG A 159 -17.192 6.628 89.927 1.00 22.72 C ATOM 1557 C ARG A 159 -16.689 5.974 88.638 1.00 22.07 C ATOM 1558 O ARG A 159 -15.469 5.902 88.426 1.00 22.74 O ATOM 1559 CB ARG A 159 -16.814 5.744 91.111 1.00 30.83 C ATOM 1560 CG ARG A 159 -17.351 4.336 91.047 1.00 34.20 C ATOM 1561 CD ARG A 159 -17.010 3.630 92.352 1.00 50.77 C ATOM 1562 NE ARG A 159 -17.533 2.271 92.411 1.00 61.39 N ATOM 1563 CZ ARG A 159 -18.760 1.961 92.815 1.00 70.54 C ATOM 1564 NH1 ARG A 159 -19.603 2.917 93.190 1.00 71.18 N ATOM 1565 NH2 ARG A 159 -19.146 0.693 92.835 1.00 75.75 N ATOM 1566 HE ARG A 159 -16.906 1.495 92.118 1.00 0.00 H ATOM 1567 HH12 ARG A 159 -20.563 2.670 93.506 1.00 0.00 H ATOM 1568 HH11 ARG A 159 -19.303 3.913 93.168 1.00 0.00 H ATOM 1569 HH22 ARG A 159 -20.106 0.447 93.151 1.00 0.00 H ATOM 1570 HH21 ARG A 159 -18.489 -0.055 92.535 1.00 0.00 H ATOM 1571 H ARG A 159 -19.242 6.362 90.618 1.00 0.00 H ATOM 1572 N ASN A 160 -17.569 5.493 87.762 1.00 23.87 N ATOM 1573 CA ASN A 160 -17.080 4.946 86.498 1.00 23.60 C ATOM 1574 C ASN A 160 -17.088 5.939 85.344 1.00 20.82 C ATOM 1575 O ASN A 160 -16.528 5.631 84.286 1.00 23.96 O ATOM 1576 CB ASN A 160 -17.900 3.708 86.120 1.00 25.39 C ATOM 1577 CG ASN A 160 -17.600 2.540 87.029 1.00 25.89 C ATOM 1578 OD1 ASN A 160 -16.426 2.273 87.350 1.00 32.28 O ATOM 1579 ND2 ASN A 160 -18.649 1.873 87.514 1.00 33.06 N ATOM 1580 HD22 ASN A 160 -19.612 2.131 87.217 1.00 0.00 H ATOM 1581 HD21 ASN A 160 -18.504 1.095 88.189 1.00 0.00 H ATOM 1582 H ASN A 160 -18.587 5.506 87.974 1.00 0.00 H ATOM 1583 N ILE A 161 -17.653 7.130 85.537 1.00 19.53 N ATOM 1584 CA ILE A 161 -17.777 8.089 84.444 1.00 18.66 C ATOM 1585 C ILE A 161 -16.420 8.676 84.102 1.00 21.94 C ATOM 1586 O ILE A 161 -15.649 9.083 84.997 1.00 23.99 O ATOM 1587 CB ILE A 161 -18.774 9.189 84.830 1.00 21.26 C ATOM 1588 CG1 ILE A 161 -20.166 8.595 85.002 1.00 26.92 C ATOM 1589 CG2 ILE A 161 -18.808 10.245 83.739 1.00 21.64 C ATOM 1590 CD1 ILE A 161 -21.236 9.662 85.175 1.00 37.59 C ATOM 1591 H ILE A 161 -18.011 7.380 86.481 1.00 0.00 H ATOM 1592 N ILE A 162 -16.114 8.726 82.799 1.00 19.30 N ATOM 1593 CA ILE A 162 -14.882 9.335 82.320 1.00 19.13 C ATOM 1594 C ILE A 162 -15.220 10.609 81.546 1.00 23.90 C ATOM 1595 O ILE A 162 -16.339 10.801 81.043 1.00 24.73 O ATOM 1596 CB ILE A 162 -14.028 8.334 81.522 1.00 19.42 C ATOM 1597 CG1 ILE A 162 -14.718 7.840 80.269 1.00 20.25 C ATOM 1598 CG2 ILE A 162 -13.605 7.173 82.486 1.00 19.89 C ATOM 1599 CD1 ILE A 162 -13.769 6.907 79.453 1.00 23.73 C ATOM 1600 H ILE A 162 -16.776 8.318 82.109 1.00 0.00 H ATOM 1601 N THR A 163 -14.272 11.553 81.579 1.00 18.38 N ATOM 1602 CA THR A 163 -14.491 12.914 81.113 1.00 18.90 C ATOM 1603 C THR A 163 -13.690 13.267 79.863 1.00 20.94 C ATOM 1604 O THR A 163 -13.913 14.350 79.302 1.00 23.63 O ATOM 1605 CB THR A 163 -14.118 13.930 82.200 1.00 21.46 C ATOM 1606 OG1 THR A 163 -12.742 13.737 82.566 1.00 26.09 O ATOM 1607 CG2 THR A 163 -15.041 13.786 83.455 1.00 23.04 C ATOM 1608 HG1 THR A 163 -12.494 14.390 83.268 1.00 0.00 H ATOM 1609 H THR A 163 -13.335 11.302 81.955 1.00 0.00 H ATOM 1610 N LYS A 164 -12.772 12.413 79.431 1.00 18.13 N ATOM 1611 CA LYS A 164 -12.143 12.532 78.117 1.00 17.57 C ATOM 1612 C LYS A 164 -12.083 11.122 77.544 1.00 19.29 C ATOM 1613 O LYS A 164 -11.749 10.183 78.260 1.00 19.29 O ATOM 1614 CB LYS A 164 -10.739 13.143 78.202 1.00 17.88 C ATOM 1615 CG LYS A 164 -10.191 13.538 76.844 1.00 23.05 C ATOM 1616 CD LYS A 164 -8.724 13.919 77.002 1.00 26.53 C ATOM 1617 CE LYS A 164 -8.511 14.914 78.126 1.00 26.51 C ATOM 1618 NZ LYS A 164 -8.878 16.346 77.881 1.00 33.84 N ATOM 1619 HZ1 LYS A 164 -8.319 16.715 77.085 1.00 0.00 H ATOM 1620 HZ2 LYS A 164 -9.891 16.409 77.653 1.00 0.00 H ATOM 1621 HZ3 LYS A 164 -8.678 16.905 78.735 1.00 0.00 H ATOM 1622 H LYS A 164 -12.489 11.628 80.051 1.00 0.00 H ATOM 1623 N VAL A 165 -12.504 10.945 76.300 1.00 17.36 N ATOM 1624 CA VAL A 165 -12.588 9.607 75.740 1.00 14.11 C ATOM 1625 C VAL A 165 -12.382 9.744 74.243 1.00 14.91 C ATOM 1626 O VAL A 165 -12.720 10.781 73.655 1.00 22.05 O ATOM 1627 CB VAL A 165 -13.966 8.980 76.108 1.00 22.75 C ATOM 1628 CG1 VAL A 165 -15.023 9.765 75.537 1.00 31.46 C ATOM 1629 CG2 VAL A 165 -14.080 7.546 75.659 1.00 22.59 C ATOM 1630 H VAL A 165 -12.775 11.766 75.723 1.00 0.00 H ATOM 1631 N MET A 166 -11.830 8.700 73.627 1.00 12.20 N ATOM 1632 CA MET A 166 -11.725 8.600 72.169 1.00 16.12 C ATOM 1633 C MET A 166 -13.071 8.253 71.583 1.00 15.97 C ATOM 1634 O MET A 166 -13.690 7.288 72.034 1.00 14.98 O ATOM 1635 CB MET A 166 -10.734 7.492 71.773 1.00 14.52 C ATOM 1636 CG MET A 166 -9.304 7.653 72.316 1.00 13.75 C ATOM 1637 SD MET A 166 -8.396 8.959 71.473 1.00 15.08 S ATOM 1638 CE MET A 166 -7.964 8.173 69.917 1.00 13.75 C ATOM 1639 H MET A 166 -11.457 7.921 74.207 1.00 0.00 H ATOM 1640 N GLY A 167 -13.488 8.982 70.556 1.00 13.50 N ATOM 1641 CA GLY A 167 -14.625 8.552 69.754 1.00 14.01 C ATOM 1642 C GLY A 167 -15.927 9.278 69.951 1.00 17.04 C ATOM 1643 O GLY A 167 -16.812 9.089 69.112 1.00 17.88 O ATOM 1644 H GLY A 167 -12.998 9.869 70.321 1.00 0.00 H ATOM 1645 N THR A 168 -16.100 10.082 71.000 1.00 19.64 N ATOM 1646 CA THR A 168 -17.404 10.642 71.295 1.00 18.97 C ATOM 1647 C THR A 168 -17.559 12.074 70.821 1.00 18.94 C ATOM 1648 O THR A 168 -18.676 12.603 70.868 1.00 20.32 O ATOM 1649 CB THR A 168 -17.707 10.572 72.795 1.00 25.90 C ATOM 1650 OG1 THR A 168 -16.687 11.269 73.503 1.00 22.92 O ATOM 1651 CG2 THR A 168 -17.737 9.104 73.262 1.00 27.99 C ATOM 1652 HG1 THR A 168 -16.875 11.229 74.474 1.00 0.00 H ATOM 1653 H THR A 168 -15.291 10.310 71.613 1.00 0.00 H ATOM 1654 N ASP A 169 -16.465 12.704 70.373 1.00 18.43 N ATOM 1655 CA ASP A 169 -16.528 14.051 69.812 1.00 16.50 C ATOM 1656 C ASP A 169 -15.518 14.115 68.691 1.00 14.67 C ATOM 1657 O ASP A 169 -14.557 13.358 68.686 1.00 17.25 O ATOM 1658 CB ASP A 169 -16.197 15.129 70.840 1.00 18.63 C ATOM 1659 CG ASP A 169 -16.569 16.522 70.359 1.00 30.59 C ATOM 1660 OD1 ASP A 169 -17.737 16.942 70.573 1.00 34.12 O ATOM 1661 OD2 ASP A 169 -15.701 17.225 69.779 1.00 24.48 O ATOM 1662 H ASP A 169 -15.546 12.221 70.426 1.00 0.00 H ATOM 1663 N LYS A 170 -15.768 15.009 67.728 1.00 17.32 N ATOM 1664 CA LYS A 170 -14.805 15.137 66.638 1.00 16.22 C ATOM 1665 C LYS A 170 -13.469 15.680 67.095 1.00 17.60 C ATOM 1666 O LYS A 170 -12.492 15.582 66.329 1.00 18.83 O ATOM 1667 CB LYS A 170 -15.380 16.022 65.534 1.00 16.20 C ATOM 1668 CG LYS A 170 -15.718 17.472 65.923 1.00 15.24 C ATOM 1669 CD LYS A 170 -16.341 18.226 64.753 1.00 16.84 C ATOM 1670 CE LYS A 170 -16.847 19.612 65.140 1.00 19.81 C ATOM 1671 NZ LYS A 170 -18.009 19.574 66.120 1.00 20.93 N ATOM 1672 HZ1 LYS A 170 -18.804 19.057 65.693 1.00 0.00 H ATOM 1673 HZ2 LYS A 170 -17.710 19.094 66.992 1.00 0.00 H ATOM 1674 HZ3 LYS A 170 -18.305 20.546 66.342 1.00 0.00 H ATOM 1675 H LYS A 170 -16.625 15.597 67.755 1.00 0.00 H ATOM 1676 N ARG A 171 -13.403 16.321 68.254 1.00 15.84 N ATOM 1677 CA ARG A 171 -12.136 16.849 68.764 1.00 15.72 C ATOM 1678 C ARG A 171 -11.729 16.130 70.032 1.00 17.15 C ATOM 1679 O ARG A 171 -12.577 15.705 70.806 1.00 21.28 O ATOM 1680 CB ARG A 171 -12.271 18.327 69.116 1.00 19.23 C ATOM 1681 CG ARG A 171 -12.645 19.225 67.957 1.00 30.99 C ATOM 1682 CD ARG A 171 -12.269 20.652 68.269 1.00 36.11 C ATOM 1683 NE ARG A 171 -13.405 21.553 68.081 1.00 46.06 N ATOM 1684 CZ ARG A 171 -13.288 22.875 68.099 1.00 43.07 C ATOM 1685 NH1 ARG A 171 -14.349 23.650 67.917 1.00 45.68 N ATOM 1686 NH2 ARG A 171 -12.091 23.413 68.309 1.00 49.37 N ATOM 1687 HE ARG A 171 -14.347 21.140 67.926 1.00 0.00 H ATOM 1688 HH12 ARG A 171 -14.246 24.685 67.933 1.00 0.00 H ATOM 1689 HH11 ARG A 171 -15.284 23.223 67.758 1.00 0.00 H ATOM 1690 HH22 ARG A 171 -11.981 24.447 68.326 1.00 0.00 H ATOM 1691 HH21 ARG A 171 -11.264 22.800 68.456 1.00 0.00 H ATOM 1692 H ARG A 171 -14.270 16.452 68.813 1.00 0.00 H ATOM 1693 N VAL A 172 -10.425 16.074 70.295 1.00 15.36 N ATOM 1694 CA VAL A 172 -9.932 15.527 71.554 1.00 15.46 C ATOM 1695 C VAL A 172 -8.566 16.143 71.796 1.00 17.53 C ATOM 1696 O VAL A 172 -7.874 16.530 70.847 1.00 19.88 O ATOM 1697 CB VAL A 172 -9.841 13.982 71.499 1.00 18.01 C ATOM 1698 CG1 VAL A 172 -8.759 13.519 70.495 1.00 21.98 C ATOM 1699 CG2 VAL A 172 -9.600 13.393 72.927 1.00 24.89 C ATOM 1700 H VAL A 172 -9.746 16.426 69.590 1.00 0.00 H ATOM 1701 N SER A 173 -8.202 16.272 73.074 1.00 18.17 N ATOM 1702 CA SER A 173 -6.911 16.847 73.464 1.00 22.02 C ATOM 1703 C SER A 173 -6.220 15.866 74.401 1.00 16.84 C ATOM 1704 O SER A 173 -6.464 15.873 75.617 1.00 19.59 O ATOM 1705 CB SER A 173 -7.101 18.207 74.122 1.00 31.37 C ATOM 1706 OG SER A 173 -5.841 18.842 74.271 1.00 46.27 O ATOM 1707 HG SER A 173 -5.426 18.961 73.380 1.00 0.00 H ATOM 1708 H SER A 173 -8.856 15.954 73.818 1.00 0.00 H ATOM 1709 N PRO A 174 -5.373 14.991 73.871 1.00 16.81 N ATOM 1710 CA PRO A 174 -4.662 14.060 74.758 1.00 17.44 C ATOM 1711 C PRO A 174 -3.629 14.771 75.633 1.00 14.52 C ATOM 1712 O PRO A 174 -3.092 15.831 75.287 1.00 18.66 O ATOM 1713 CB PRO A 174 -3.975 13.092 73.794 1.00 18.56 C ATOM 1714 CG PRO A 174 -3.778 13.903 72.510 1.00 21.51 C ATOM 1715 CD PRO A 174 -4.919 14.873 72.469 1.00 23.03 C ATOM 1716 N ASP A 175 -3.355 14.165 76.787 1.00 16.77 N ATOM 1717 CA ASP A 175 -2.249 14.591 77.639 1.00 14.30 C ATOM 1718 C ASP A 175 -0.993 13.850 77.199 1.00 13.87 C ATOM 1719 O ASP A 175 -1.032 12.641 76.949 1.00 17.20 O ATOM 1720 CB ASP A 175 -2.491 14.244 79.114 1.00 17.56 C ATOM 1721 CG ASP A 175 -3.497 15.148 79.811 1.00 23.60 C ATOM 1722 OD1 ASP A 175 -3.857 16.228 79.279 1.00 25.13 O ATOM 1723 OD2 ASP A 175 -3.933 14.757 80.922 1.00 20.05 O ATOM 1724 H ASP A 175 -3.946 13.365 77.090 1.00 0.00 H ATOM 1725 N LEU A 176 0.118 14.589 77.101 1.00 15.25 N ATOM 1726 CA LEU A 176 1.405 14.015 76.716 1.00 17.28 C ATOM 1727 C LEU A 176 2.383 14.137 77.865 1.00 17.06 C ATOM 1728 O LEU A 176 2.464 15.182 78.538 1.00 19.21 O ATOM 1729 CB LEU A 176 1.999 14.738 75.500 1.00 17.78 C ATOM 1730 CG LEU A 176 1.614 14.162 74.137 1.00 18.68 C ATOM 1731 CD1 LEU A 176 2.267 12.781 73.884 1.00 20.82 C ATOM 1732 CD2 LEU A 176 0.083 14.037 73.915 1.00 20.16 C ATOM 1733 H LEU A 176 0.063 15.607 77.306 1.00 0.00 H ATOM 1734 N PHE A 177 3.156 13.070 78.076 1.00 18.07 N ATOM 1735 CA PHE A 177 4.148 13.041 79.151 1.00 17.33 C ATOM 1736 C PHE A 177 5.473 12.513 78.612 1.00 17.14 C ATOM 1737 O PHE A 177 5.475 11.593 77.800 1.00 17.85 O ATOM 1738 CB PHE A 177 3.686 12.116 80.305 1.00 16.78 C ATOM 1739 CG PHE A 177 2.336 12.485 80.859 1.00 17.16 C ATOM 1740 CD1 PHE A 177 2.255 13.472 81.821 1.00 17.92 C ATOM 1741 CD2 PHE A 177 1.185 11.909 80.358 1.00 19.35 C ATOM 1742 CE1 PHE A 177 1.010 13.848 82.334 1.00 21.09 C ATOM 1743 CE2 PHE A 177 -0.080 12.273 80.857 1.00 20.77 C ATOM 1744 CZ PHE A 177 -0.171 13.237 81.845 1.00 18.19 C ATOM 1745 H PHE A 177 3.051 12.238 77.461 1.00 0.00 H ATOM 1746 N ILE A 178 6.597 13.041 79.095 1.00 18.31 N ATOM 1747 CA ILE A 178 7.903 12.456 78.794 1.00 19.74 C ATOM 1748 C ILE A 178 8.514 12.086 80.132 1.00 21.99 C ATOM 1749 O ILE A 178 8.583 12.926 81.042 1.00 25.00 O ATOM 1750 CB ILE A 178 8.824 13.412 78.020 1.00 23.95 C ATOM 1751 CG1 ILE A 178 8.324 13.681 76.586 1.00 31.70 C ATOM 1752 CG2 ILE A 178 10.239 12.821 77.923 1.00 26.66 C ATOM 1753 CD1 ILE A 178 7.089 14.514 76.444 1.00 42.82 C ATOM 1754 H ILE A 178 6.544 13.886 79.698 1.00 0.00 H ATOM 1755 N LYS A 179 8.913 10.819 80.275 1.00 19.64 N ATOM 1756 CA LYS A 179 9.489 10.344 81.524 1.00 20.89 C ATOM 1757 C LYS A 179 10.829 9.669 81.271 1.00 23.22 C ATOM 1758 O LYS A 179 10.915 8.733 80.475 1.00 21.03 O ATOM 1759 CB LYS A 179 8.509 9.370 82.157 1.00 25.28 C ATOM 1760 CG LYS A 179 8.897 8.848 83.521 1.00 28.06 C ATOM 1761 CD LYS A 179 8.857 9.933 84.572 1.00 34.34 C ATOM 1762 CE LYS A 179 9.311 9.366 85.900 1.00 39.50 C ATOM 1763 NZ LYS A 179 9.634 10.412 86.890 1.00 43.51 N ATOM 1764 HZ1 LYS A 179 10.400 11.011 86.522 1.00 0.00 H ATOM 1765 HZ2 LYS A 179 8.790 10.994 87.065 1.00 0.00 H ATOM 1766 HZ3 LYS A 179 9.938 9.965 87.778 1.00 0.00 H ATOM 1767 H LYS A 179 8.810 10.159 79.478 1.00 0.00 H ATOM 1768 N ARG A 180 11.841 10.082 82.011 1.00 22.90 N ATOM 1769 CA ARG A 180 13.129 9.401 81.976 1.00 23.82 C ATOM 1770 C ARG A 180 13.035 8.074 82.706 1.00 30.36 C ATOM 1771 O ARG A 180 12.456 7.993 83.796 1.00 28.71 O ATOM 1772 CB ARG A 180 14.183 10.255 82.658 1.00 30.06 C ATOM 1773 CG ARG A 180 14.332 11.625 82.075 1.00 40.99 C ATOM 1774 CD ARG A 180 15.745 12.061 82.151 1.00 52.57 C ATOM 1775 NE ARG A 180 16.169 12.601 80.874 1.00 67.21 N ATOM 1776 CZ ARG A 180 17.153 12.078 80.158 1.00 74.26 C ATOM 1777 NH1 ARG A 180 17.823 11.005 80.597 1.00 77.89 N ATOM 1778 NH2 ARG A 180 17.472 12.628 79.000 1.00 73.87 N ATOM 1779 HE ARG A 180 15.677 13.439 80.503 1.00 0.00 H ATOM 1780 HH12 ARG A 180 18.594 10.604 80.026 1.00 0.00 H ATOM 1781 HH11 ARG A 180 17.573 10.573 81.509 1.00 0.00 H ATOM 1782 HH22 ARG A 180 18.243 12.227 78.428 1.00 0.00 H ATOM 1783 HH21 ARG A 180 16.952 13.462 78.660 1.00 0.00 H ATOM 1784 H ARG A 180 11.717 10.908 82.630 1.00 0.00 H ATOM 1785 N LEU A 181 13.661 7.045 82.134 1.00 24.19 N ATOM 1786 CA LEU A 181 13.601 5.698 82.677 1.00 26.41 C ATOM 1787 C LEU A 181 14.753 5.350 83.621 1.00 30.12 C ATOM 1788 O LEU A 181 14.631 4.360 84.346 1.00 32.90 O ATOM 1789 CB LEU A 181 13.562 4.685 81.541 1.00 33.10 C ATOM 1790 CG LEU A 181 12.343 4.748 80.614 1.00 35.18 C ATOM 1791 CD1 LEU A 181 12.534 3.723 79.471 1.00 41.40 C ATOM 1792 CD2 LEU A 181 11.112 4.457 81.406 1.00 32.01 C ATOM 1793 H LEU A 181 14.212 7.212 81.268 1.00 0.00 H ATOM 1794 N ASN A 182 15.840 6.135 83.655 1.00 27.72 N ATOM 1795 CA ASN A 182 16.958 5.864 84.553 1.00 31.34 C ATOM 1796 C ASN A 182 16.462 5.700 85.989 1.00 31.92 C ATOM 1797 O ASN A 182 15.640 6.481 86.474 1.00 38.93 O ATOM 1798 CB ASN A 182 17.951 7.015 84.446 1.00 36.81 C ATOM 1799 CG ASN A 182 18.239 7.377 82.991 1.00 39.44 C ATOM 1800 OD1 ASN A 182 17.319 7.718 82.232 1.00 45.90 O ATOM 1801 ND2 ASN A 182 19.509 7.308 82.597 1.00 39.19 N ATOM 1802 HD22 ASN A 182 20.247 7.017 83.269 1.00 0.00 H ATOM 1803 HD21 ASN A 182 19.763 7.545 81.617 1.00 0.00 H ATOM 1804 H ASN A 182 15.887 6.960 83.024 1.00 0.00 H ATOM 1805 N PHE A 183 16.900 4.634 86.630 1.00 35.37 N ATOM 1806 CA PHE A 183 16.621 4.356 88.036 1.00 37.67 C ATOM 1807 C PHE A 183 15.206 3.835 88.252 1.00 31.34 C ATOM 1808 O PHE A 183 14.831 3.626 89.399 1.00 32.20 O ATOM 1809 CB PHE A 183 16.848 5.569 88.951 1.00 40.00 C ATOM 1810 CG PHE A 183 18.253 6.095 88.920 1.00 44.82 C ATOM 1811 CD1 PHE A 183 19.220 5.570 89.759 1.00 50.57 C ATOM 1812 CD2 PHE A 183 18.609 7.124 88.056 1.00 49.95 C ATOM 1813 CE1 PHE A 183 20.542 6.054 89.736 1.00 54.13 C ATOM 1814 CE2 PHE A 183 19.928 7.611 88.022 1.00 54.28 C ATOM 1815 CZ PHE A 183 20.888 7.076 88.864 1.00 54.78 C ATOM 1816 H PHE A 183 17.479 3.950 86.102 1.00 0.00 H ATOM 1817 N TYR A 184 14.461 3.530 87.209 1.00 25.56 N ATOM 1818 CA TYR A 184 13.232 2.771 87.394 1.00 22.65 C ATOM 1819 C TYR A 184 13.437 1.355 86.881 1.00 27.22 C ATOM 1820 O TYR A 184 14.350 1.069 86.091 1.00 30.32 O ATOM 1821 CB TYR A 184 12.031 3.418 86.692 1.00 26.55 C ATOM 1822 CG TYR A 184 11.648 4.747 87.304 1.00 26.24 C ATOM 1823 CD1 TYR A 184 11.014 4.817 88.549 1.00 29.38 C ATOM 1824 CD2 TYR A 184 11.979 5.935 86.665 1.00 30.69 C ATOM 1825 CE1 TYR A 184 10.691 6.070 89.121 1.00 27.60 C ATOM 1826 CE2 TYR A 184 11.663 7.159 87.217 1.00 33.75 C ATOM 1827 CZ TYR A 184 11.026 7.221 88.445 1.00 32.67 C ATOM 1828 OH TYR A 184 10.728 8.451 88.977 1.00 39.72 O ATOM 1829 HH TYR A 184 10.278 8.331 89.851 1.00 0.00 H ATOM 1830 H TYR A 184 14.750 3.830 86.256 1.00 0.00 H ATOM 1831 N ASP A 185 12.584 0.458 87.351 1.00 22.90 N ATOM 1832 CA ASP A 185 12.738 -0.952 87.038 1.00 26.01 C ATOM 1833 C ASP A 185 11.637 -1.448 86.130 1.00 21.63 C ATOM 1834 O ASP A 185 11.881 -2.356 85.327 1.00 24.96 O ATOM 1835 CB ASP A 185 12.745 -1.820 88.314 1.00 27.55 C ATOM 1836 CG ASP A 185 13.795 -1.414 89.321 1.00 35.66 C ATOM 1837 OD1 ASP A 185 14.904 -1.033 88.906 1.00 34.59 O ATOM 1838 OD2 ASP A 185 13.509 -1.524 90.540 1.00 33.14 O ATOM 1839 H ASP A 185 11.794 0.767 87.952 1.00 0.00 H ATOM 1840 N TYR A 186 10.412 -0.881 86.237 1.00 17.88 N ATOM 1841 CA TYR A 186 9.291 -1.347 85.443 1.00 19.02 C ATOM 1842 C TYR A 186 8.472 -0.190 84.919 1.00 18.26 C ATOM 1843 O TYR A 186 8.334 0.840 85.589 1.00 17.79 O ATOM 1844 CB TYR A 186 8.312 -2.227 86.255 1.00 21.17 C ATOM 1845 CG TYR A 186 8.935 -3.517 86.717 1.00 23.05 C ATOM 1846 CD1 TYR A 186 8.941 -4.644 85.890 1.00 25.14 C ATOM 1847 CD2 TYR A 186 9.499 -3.618 87.974 1.00 21.69 C ATOM 1848 CE1 TYR A 186 9.528 -5.851 86.319 1.00 24.03 C ATOM 1849 CE2 TYR A 186 10.088 -4.801 88.408 1.00 23.87 C ATOM 1850 CZ TYR A 186 10.090 -5.922 87.593 1.00 24.88 C ATOM 1851 OH TYR A 186 10.670 -7.090 88.081 1.00 25.46 O ATOM 1852 HH TYR A 186 10.600 -7.803 87.397 1.00 0.00 H ATOM 1853 H TYR A 186 10.272 -0.094 86.903 1.00 0.00 H ATOM 1854 N LEU A 187 7.964 -0.360 83.700 1.00 16.42 N ATOM 1855 CA LEU A 187 6.879 0.429 83.148 1.00 13.88 C ATOM 1856 C LEU A 187 5.603 -0.415 83.089 1.00 17.48 C ATOM 1857 O LEU A 187 5.637 -1.581 82.682 1.00 18.76 O ATOM 1858 CB LEU A 187 7.279 0.907 81.739 1.00 15.86 C ATOM 1859 CG LEU A 187 6.236 1.673 80.946 1.00 18.15 C ATOM 1860 CD1 LEU A 187 6.051 3.018 81.573 1.00 19.96 C ATOM 1861 CD2 LEU A 187 6.753 1.843 79.516 1.00 20.95 C ATOM 1862 H LEU A 187 8.372 -1.108 83.104 1.00 0.00 H ATOM 1863 N LEU A 188 4.505 0.142 83.570 1.00 14.83 N ATOM 1864 CA LEU A 188 3.220 -0.555 83.598 1.00 14.70 C ATOM 1865 C LEU A 188 2.171 0.334 82.925 1.00 15.59 C ATOM 1866 O LEU A 188 2.031 1.519 83.269 1.00 16.24 O ATOM 1867 CB LEU A 188 2.818 -0.897 85.052 1.00 16.40 C ATOM 1868 CG LEU A 188 1.387 -1.417 85.244 1.00 16.82 C ATOM 1869 CD1 LEU A 188 1.288 -2.830 84.738 1.00 19.15 C ATOM 1870 CD2 LEU A 188 1.064 -1.374 86.750 1.00 20.11 C ATOM 1871 H LEU A 188 4.557 1.112 83.942 1.00 0.00 H ATOM 1872 N LEU A 189 1.481 -0.209 81.930 1.00 14.33 N ATOM 1873 CA LEU A 189 0.261 0.405 81.398 1.00 14.16 C ATOM 1874 C LEU A 189 -0.908 -0.481 81.780 1.00 13.75 C ATOM 1875 O LEU A 189 -0.806 -1.704 81.697 1.00 14.14 O ATOM 1876 CB LEU A 189 0.305 0.527 79.866 1.00 15.17 C ATOM 1877 CG LEU A 189 1.054 1.743 79.277 1.00 16.09 C ATOM 1878 CD1 LEU A 189 2.497 1.936 79.699 1.00 16.88 C ATOM 1879 CD2 LEU A 189 0.923 1.766 77.727 1.00 16.72 C ATOM 1880 H LEU A 189 1.817 -1.101 81.513 1.00 0.00 H ATOM 1881 N ASN A 190 -2.032 0.111 82.195 1.00 15.19 N ATOM 1882 CA ASN A 190 -3.128 -0.751 82.638 1.00 13.89 C ATOM 1883 C ASN A 190 -4.488 -0.104 82.459 1.00 13.49 C ATOM 1884 O ASN A 190 -4.649 1.120 82.516 1.00 14.10 O ATOM 1885 CB ASN A 190 -2.958 -1.137 84.126 1.00 14.83 C ATOM 1886 CG ASN A 190 -3.028 0.073 85.089 1.00 16.22 C ATOM 1887 OD1 ASN A 190 -2.035 0.754 85.356 1.00 16.85 O ATOM 1888 ND2 ASN A 190 -4.220 0.311 85.638 1.00 15.48 N ATOM 1889 HD22 ASN A 190 -5.035 -0.284 85.389 1.00 0.00 H ATOM 1890 HD21 ASN A 190 -4.334 1.092 86.315 1.00 0.00 H ATOM 1891 H ASN A 190 -2.124 1.147 82.203 1.00 0.00 H ATOM 1892 N SER A 191 -5.485 -0.961 82.312 1.00 14.68 N ATOM 1893 CA SER A 191 -6.874 -0.515 82.375 1.00 14.60 C ATOM 1894 C SER A 191 -7.307 -0.391 83.849 1.00 15.73 C ATOM 1895 O SER A 191 -6.691 -0.961 84.775 1.00 16.58 O ATOM 1896 CB SER A 191 -7.735 -1.487 81.578 1.00 15.88 C ATOM 1897 OG SER A 191 -7.953 -2.722 82.250 1.00 16.98 O ATOM 1898 HG SER A 191 -8.516 -3.309 81.685 1.00 0.00 H ATOM 1899 H SER A 191 -5.277 -1.967 82.149 1.00 0.00 H ATOM 1900 N ASP A 192 -8.363 0.395 84.078 1.00 15.50 N ATOM 1901 CA ASP A 192 -8.871 0.545 85.447 1.00 17.32 C ATOM 1902 C ASP A 192 -9.398 -0.755 86.067 1.00 18.07 C ATOM 1903 O ASP A 192 -9.596 -0.791 87.292 1.00 18.56 O ATOM 1904 CB ASP A 192 -9.974 1.663 85.524 1.00 14.42 C ATOM 1905 CG ASP A 192 -11.213 1.369 84.691 1.00 15.64 C ATOM 1906 OD1 ASP A 192 -11.255 0.298 84.062 1.00 17.46 O ATOM 1907 OD2 ASP A 192 -12.138 2.224 84.772 1.00 16.45 O ATOM 1908 H ASP A 192 -8.822 0.897 83.291 1.00 0.00 H ATOM 1909 N GLY A 193 -9.596 -1.833 85.284 1.00 14.61 N ATOM 1910 CA GLY A 193 -9.938 -3.106 85.886 1.00 15.18 C ATOM 1911 C GLY A 193 -8.880 -3.578 86.874 1.00 15.61 C ATOM 1912 O GLY A 193 -9.173 -4.371 87.768 1.00 16.94 O ATOM 1913 H GLY A 193 -9.504 -1.752 84.251 1.00 0.00 H ATOM 1914 N LEU A 194 -7.635 -3.144 86.678 1.00 16.22 N ATOM 1915 CA LEU A 194 -6.580 -3.501 87.626 1.00 16.29 C ATOM 1916 C LEU A 194 -6.594 -2.566 88.837 1.00 18.46 C ATOM 1917 O LEU A 194 -6.823 -3.007 89.975 1.00 19.70 O ATOM 1918 CB LEU A 194 -5.217 -3.453 86.920 1.00 14.82 C ATOM 1919 CG LEU A 194 -4.015 -3.611 87.890 1.00 16.63 C ATOM 1920 CD1 LEU A 194 -4.052 -5.014 88.375 1.00 20.84 C ATOM 1921 CD2 LEU A 194 -2.723 -3.343 87.115 1.00 18.30 C ATOM 1922 H LEU A 194 -7.414 -2.552 85.852 1.00 0.00 H ATOM 1923 N THR A 195 -6.383 -1.257 88.609 1.00 16.78 N ATOM 1924 CA THR A 195 -6.153 -0.340 89.731 1.00 17.63 C ATOM 1925 C THR A 195 -7.425 0.172 90.426 1.00 17.83 C ATOM 1926 O THR A 195 -7.310 0.741 91.537 1.00 20.38 O ATOM 1927 CB THR A 195 -5.286 0.835 89.259 1.00 15.14 C ATOM 1928 OG1 THR A 195 -5.755 1.304 87.992 1.00 18.33 O ATOM 1929 CG2 THR A 195 -3.824 0.359 89.084 1.00 17.12 C ATOM 1930 HG1 THR A 195 -6.694 1.604 88.080 1.00 0.00 H ATOM 1931 H THR A 195 -6.383 -0.894 87.634 1.00 0.00 H ATOM 1932 N ASP A 196 -8.636 -0.061 89.871 1.00 17.69 N ATOM 1933 CA ASP A 196 -9.821 0.085 90.700 1.00 17.00 C ATOM 1934 C ASP A 196 -9.874 -0.928 91.842 1.00 20.31 C ATOM 1935 O ASP A 196 -10.609 -0.700 92.813 1.00 23.32 O ATOM 1936 CB ASP A 196 -11.089 -0.081 89.856 1.00 19.20 C ATOM 1937 CG ASP A 196 -11.381 1.100 88.944 1.00 23.22 C ATOM 1938 OD1 ASP A 196 -10.703 2.142 88.997 1.00 19.33 O ATOM 1939 OD2 ASP A 196 -12.355 0.973 88.156 1.00 21.51 O ATOM 1940 H ASP A 196 -8.718 -0.339 88.872 1.00 0.00 H ATOM 1941 N TYR A 197 -9.085 -2.007 91.778 1.00 21.28 N ATOM 1942 CA TYR A 197 -9.172 -3.080 92.758 1.00 22.00 C ATOM 1943 C TYR A 197 -7.854 -3.431 93.433 1.00 19.30 C ATOM 1944 O TYR A 197 -7.893 -4.074 94.495 1.00 21.91 O ATOM 1945 CB TYR A 197 -9.738 -4.329 92.085 1.00 20.80 C ATOM 1946 CG TYR A 197 -11.139 -4.104 91.612 1.00 19.51 C ATOM 1947 CD1 TYR A 197 -12.199 -4.302 92.447 1.00 21.74 C ATOM 1948 CD2 TYR A 197 -11.387 -3.668 90.311 1.00 21.97 C ATOM 1949 CE1 TYR A 197 -13.506 -4.110 91.994 1.00 25.85 C ATOM 1950 CE2 TYR A 197 -12.687 -3.439 89.858 1.00 21.08 C ATOM 1951 CZ TYR A 197 -13.730 -3.666 90.710 1.00 23.13 C ATOM 1952 OH TYR A 197 -15.041 -3.480 90.288 1.00 25.27 O ATOM 1953 HH TYR A 197 -15.166 -2.538 90.009 1.00 0.00 H ATOM 1954 H TYR A 197 -8.391 -2.081 91.007 1.00 0.00 H ATOM 1955 N VAL A 198 -6.722 -3.016 92.875 1.00 21.47 N ATOM 1956 CA VAL A 198 -5.392 -3.323 93.401 1.00 19.86 C ATOM 1957 C VAL A 198 -4.685 -2.004 93.661 1.00 18.02 C ATOM 1958 O VAL A 198 -4.583 -1.163 92.757 1.00 21.56 O ATOM 1959 CB VAL A 198 -4.577 -4.185 92.427 1.00 21.04 C ATOM 1960 CG1 VAL A 198 -3.188 -4.537 93.054 1.00 21.89 C ATOM 1961 CG2 VAL A 198 -5.321 -5.448 92.148 1.00 23.54 C ATOM 1962 H VAL A 198 -6.785 -2.438 92.013 1.00 0.00 H ATOM 1963 N LYS A 199 -4.225 -1.824 94.906 1.00 20.21 N ATOM 1964 CA LYS A 199 -3.636 -0.571 95.336 1.00 22.17 C ATOM 1965 C LYS A 199 -2.203 -0.464 94.826 1.00 21.77 C ATOM 1966 O LYS A 199 -1.545 -1.473 94.553 1.00 21.34 O ATOM 1967 CB LYS A 199 -3.655 -0.468 96.862 1.00 25.08 C ATOM 1968 CG LYS A 199 -5.125 -0.373 97.423 1.00 31.18 C ATOM 1969 H LYS A 199 -4.293 -2.608 95.586 1.00 0.00 H ATOM 1970 N ASP A 200 -1.738 0.779 94.671 1.00 19.62 N ATOM 1971 CA ASP A 200 -0.376 1.018 94.157 1.00 21.22 C ATOM 1972 C ASP A 200 0.692 0.291 94.982 1.00 22.03 C ATOM 1973 O ASP A 200 1.626 -0.312 94.412 1.00 23.66 O ATOM 1974 CB ASP A 200 -0.065 2.513 94.141 1.00 20.85 C ATOM 1975 CG ASP A 200 -0.769 3.273 93.037 1.00 21.61 C ATOM 1976 OD1 ASP A 200 -1.530 2.680 92.244 1.00 20.17 O ATOM 1977 OD2 ASP A 200 -0.502 4.494 92.947 1.00 24.27 O ATOM 1978 H ASP A 200 -2.344 1.588 94.916 1.00 0.00 H ATOM 1979 N ASN A 201 0.630 0.374 96.316 1.00 20.66 N ATOM 1980 CA ASN A 201 1.658 -0.308 97.085 1.00 27.59 C ATOM 1981 C ASN A 201 1.604 -1.823 96.891 1.00 22.70 C ATOM 1982 O ASN A 201 2.635 -2.490 97.032 1.00 25.95 O ATOM 1983 CB ASN A 201 1.563 0.062 98.570 1.00 37.10 C ATOM 1984 CG ASN A 201 0.184 -0.193 99.165 1.00 61.26 C ATOM 1985 OD1 ASN A 201 -0.658 -0.867 98.567 1.00 68.21 O ATOM 1986 ND2 ASN A 201 -0.047 0.341 100.369 1.00 69.32 N ATOM 1987 HD22 ASN A 201 0.691 0.903 100.839 1.00 0.00 H ATOM 1988 HD21 ASN A 201 -0.965 0.194 100.836 1.00 0.00 H ATOM 1989 H ASN A 201 -0.128 0.908 96.787 1.00 0.00 H ATOM 1990 N GLU A 202 0.431 -2.392 96.587 1.00 24.53 N ATOM 1991 CA GLU A 202 0.369 -3.830 96.301 1.00 24.21 C ATOM 1992 C GLU A 202 1.097 -4.173 95.003 1.00 22.06 C ATOM 1993 O GLU A 202 1.745 -5.232 94.902 1.00 25.62 O ATOM 1994 CB GLU A 202 -1.082 -4.294 96.199 1.00 26.62 C ATOM 1995 CG GLU A 202 -1.860 -4.316 97.502 1.00 27.56 C ATOM 1996 CD GLU A 202 -3.305 -4.769 97.278 1.00 36.29 C ATOM 1997 OE1 GLU A 202 -4.143 -3.983 96.723 1.00 31.65 O ATOM 1998 OE2 GLU A 202 -3.589 -5.939 97.622 1.00 38.20 O ATOM 1999 H GLU A 202 -0.434 -1.816 96.554 1.00 0.00 H ATOM 2000 N ILE A 203 0.963 -3.317 93.989 1.00 19.63 N ATOM 2001 CA ILE A 203 1.679 -3.531 92.728 1.00 22.85 C ATOM 2002 C ILE A 203 3.178 -3.446 92.974 1.00 25.50 C ATOM 2003 O ILE A 203 3.966 -4.272 92.482 1.00 22.36 O ATOM 2004 CB ILE A 203 1.238 -2.503 91.682 1.00 20.93 C ATOM 2005 CG1 ILE A 203 -0.259 -2.680 91.384 1.00 23.14 C ATOM 2006 CG2 ILE A 203 2.128 -2.641 90.428 1.00 19.48 C ATOM 2007 CD1 ILE A 203 -0.791 -1.604 90.414 1.00 22.44 C ATOM 2008 H ILE A 203 0.343 -2.488 94.094 1.00 0.00 H ATOM 2009 N LYS A 204 3.607 -2.422 93.724 1.00 22.38 N ATOM 2010 CA LYS A 204 5.041 -2.258 93.966 1.00 22.67 C ATOM 2011 C LYS A 204 5.606 -3.463 94.704 1.00 24.30 C ATOM 2012 O LYS A 204 6.681 -3.971 94.364 1.00 26.50 O ATOM 2013 CB LYS A 204 5.326 -0.978 94.766 1.00 24.65 C ATOM 2014 CG LYS A 204 6.829 -0.691 94.998 1.00 24.91 C ATOM 2015 CD LYS A 204 7.030 0.479 95.942 1.00 30.15 C ATOM 2016 CE LYS A 204 6.480 0.120 97.279 1.00 40.83 C ATOM 2017 NZ LYS A 204 6.935 1.005 98.392 1.00 46.63 N ATOM 2018 HZ1 LYS A 204 7.971 0.960 98.468 1.00 0.00 H ATOM 2019 HZ2 LYS A 204 6.643 1.984 98.196 1.00 0.00 H ATOM 2020 HZ3 LYS A 204 6.507 0.686 99.284 1.00 0.00 H ATOM 2021 H LYS A 204 2.926 -1.749 94.131 1.00 0.00 H ATOM 2022 N ARG A 205 4.905 -3.914 95.748 1.00 24.78 N ATOM 2023 CA ARG A 205 5.377 -5.049 96.531 1.00 29.49 C ATOM 2024 C ARG A 205 5.548 -6.296 95.666 1.00 26.66 C ATOM 2025 O ARG A 205 6.480 -7.096 95.899 1.00 28.16 O ATOM 2026 CB ARG A 205 4.387 -5.324 97.653 1.00 31.02 C ATOM 2027 CG ARG A 205 4.679 -4.555 98.921 1.00 43.60 C ATOM 2028 CD ARG A 205 3.458 -4.540 99.820 1.00 52.44 C ATOM 2029 NE ARG A 205 3.287 -5.750 100.619 1.00 62.62 N ATOM 2030 CZ ARG A 205 3.848 -5.955 101.811 1.00 72.73 C ATOM 2031 NH1 ARG A 205 4.649 -5.036 102.350 1.00 73.94 N ATOM 2032 NH2 ARG A 205 3.607 -7.082 102.475 1.00 74.04 N ATOM 2033 HE ARG A 205 2.686 -6.505 100.231 1.00 0.00 H ATOM 2034 HH12 ARG A 205 5.082 -5.205 103.280 1.00 0.00 H ATOM 2035 HH11 ARG A 205 4.841 -4.150 101.840 1.00 0.00 H ATOM 2036 HH22 ARG A 205 4.045 -7.242 103.405 1.00 0.00 H ATOM 2037 HH21 ARG A 205 2.981 -7.804 102.064 1.00 0.00 H ATOM 2038 H ARG A 205 4.011 -3.449 96.005 1.00 0.00 H ATOM 2039 N LEU A 206 4.616 -6.515 94.739 1.00 24.51 N ATOM 2040 CA LEU A 206 4.702 -7.668 93.845 1.00 22.31 C ATOM 2041 C LEU A 206 5.924 -7.544 92.919 1.00 24.46 C ATOM 2042 O LEU A 206 6.719 -8.485 92.783 1.00 25.27 O ATOM 2043 CB LEU A 206 3.391 -7.820 93.070 1.00 22.74 C ATOM 2044 CG LEU A 206 3.230 -9.028 92.159 1.00 26.81 C ATOM 2045 CD1 LEU A 206 1.717 -9.296 91.986 1.00 31.14 C ATOM 2046 CD2 LEU A 206 3.878 -8.770 90.772 1.00 25.19 C ATOM 2047 H LEU A 206 3.816 -5.856 94.650 1.00 0.00 H ATOM 2048 N LEU A 207 6.126 -6.368 92.336 1.00 25.26 N ATOM 2049 CA LEU A 207 7.170 -6.216 91.328 1.00 24.75 C ATOM 2050 C LEU A 207 8.562 -6.205 91.931 1.00 25.77 C ATOM 2051 O LEU A 207 9.533 -6.530 91.240 1.00 26.88 O ATOM 2052 CB LEU A 207 6.932 -4.929 90.546 1.00 21.04 C ATOM 2053 CG LEU A 207 5.670 -4.921 89.728 1.00 21.95 C ATOM 2054 CD1 LEU A 207 5.519 -3.548 89.048 1.00 22.69 C ATOM 2055 CD2 LEU A 207 5.658 -6.034 88.659 1.00 26.37 C ATOM 2056 H LEU A 207 5.538 -5.552 92.599 1.00 0.00 H ATOM 2057 N VAL A 208 8.715 -5.804 93.192 1.00 25.14 N ATOM 2058 CA VAL A 208 10.073 -5.707 93.721 1.00 25.92 C ATOM 2059 C VAL A 208 10.680 -7.067 94.046 1.00 27.64 C ATOM 2060 O VAL A 208 11.891 -7.156 94.360 1.00 31.08 O ATOM 2061 CB VAL A 208 10.129 -4.808 94.967 1.00 32.90 C ATOM 2062 CG1 VAL A 208 9.604 -5.561 96.153 1.00 35.14 C ATOM 2063 CG2 VAL A 208 11.580 -4.322 95.234 1.00 37.86 C ATOM 2064 H VAL A 208 7.892 -5.567 93.782 1.00 0.00 H ATOM 2065 N LYS A 209 9.885 -8.133 93.991 1.00 26.10 N ATOM 2066 CA LYS A 209 10.389 -9.483 94.206 1.00 31.33 C ATOM 2067 C LYS A 209 11.086 -9.995 92.942 1.00 23.82 C ATOM 2068 O LYS A 209 10.850 -9.478 91.836 1.00 22.97 O ATOM 2069 CB LYS A 209 9.235 -10.407 94.577 1.00 36.33 C ATOM 2070 CG LYS A 209 8.575 -10.040 95.890 1.00 44.81 C ATOM 2071 CD LYS A 209 7.425 -10.965 96.165 1.00 49.22 C ATOM 2072 H LYS A 209 8.874 -7.998 93.789 1.00 0.00 H ATOM 2073 N GLU A 210 11.881 -11.064 93.094 1.00 30.14 N ATOM 2074 CA GLU A 210 12.474 -11.700 91.926 1.00 29.89 C ATOM 2075 C GLU A 210 11.367 -12.348 91.098 1.00 35.80 C ATOM 2076 O GLU A 210 10.259 -12.591 91.581 1.00 35.43 O ATOM 2077 CB GLU A 210 13.534 -12.734 92.336 1.00 36.95 C ATOM 2078 CG GLU A 210 12.954 -13.991 92.967 1.00 45.58 C ATOM 2079 H GLU A 210 12.074 -11.438 94.045 1.00 0.00 H ATOM 2080 N GLY A 211 11.644 -12.555 89.824 1.00 32.31 N ATOM 2081 CA GLY A 211 10.695 -13.192 88.923 1.00 30.15 C ATOM 2082 C GLY A 211 10.758 -12.582 87.541 1.00 28.35 C ATOM 2083 O GLY A 211 11.074 -11.402 87.360 1.00 29.58 O ATOM 2084 H GLY A 211 12.568 -12.254 89.453 1.00 0.00 H ATOM 2085 N THR A 212 10.408 -13.383 86.528 1.00 25.07 N ATOM 2086 CA THR A 212 10.345 -12.860 85.165 1.00 24.57 C ATOM 2087 C THR A 212 9.105 -11.967 84.949 1.00 25.09 C ATOM 2088 O THR A 212 8.192 -11.897 85.783 1.00 24.81 O ATOM 2089 CB THR A 212 10.284 -14.006 84.151 1.00 29.56 C ATOM 2090 OG1 THR A 212 9.044 -14.717 84.307 1.00 28.98 O ATOM 2091 CG2 THR A 212 11.459 -14.963 84.309 1.00 30.24 C ATOM 2092 HG1 THR A 212 9.005 -15.458 83.651 1.00 0.00 H ATOM 2093 H THR A 212 10.180 -14.381 86.711 1.00 0.00 H ATOM 2094 N ILE A 213 9.073 -11.271 83.807 1.00 22.29 N ATOM 2095 CA ILE A 213 7.895 -10.465 83.461 1.00 22.44 C ATOM 2096 C ILE A 213 6.644 -11.337 83.412 1.00 22.82 C ATOM 2097 O ILE A 213 5.572 -10.950 83.910 1.00 21.50 O ATOM 2098 CB ILE A 213 8.117 -9.735 82.121 1.00 22.35 C ATOM 2099 CG1 ILE A 213 9.050 -8.533 82.286 1.00 25.13 C ATOM 2100 CG2 ILE A 213 6.790 -9.274 81.490 1.00 22.67 C ATOM 2101 CD1 ILE A 213 8.423 -7.280 82.869 1.00 29.79 C ATOM 2102 H ILE A 213 9.887 -11.301 83.160 1.00 0.00 H ATOM 2103 N GLU A 214 6.764 -12.546 82.850 1.00 24.51 N ATOM 2104 CA GLU A 214 5.606 -13.433 82.820 1.00 27.53 C ATOM 2105 C GLU A 214 5.210 -13.875 84.228 1.00 24.72 C ATOM 2106 O GLU A 214 4.010 -13.894 84.552 1.00 26.53 O ATOM 2107 CB GLU A 214 5.872 -14.651 81.932 1.00 29.03 C ATOM 2108 CG GLU A 214 4.643 -15.544 81.841 1.00 41.29 C ATOM 2109 CD GLU A 214 4.605 -16.396 80.584 1.00 49.33 C ATOM 2110 OE1 GLU A 214 5.102 -17.532 80.620 1.00 46.93 O ATOM 2111 OE2 GLU A 214 4.068 -15.922 79.562 1.00 53.20 O ATOM 2112 H GLU A 214 7.671 -12.849 82.440 1.00 0.00 H ATOM 2113 N ASP A 215 6.185 -14.209 85.087 1.00 25.24 N ATOM 2114 CA ASP A 215 5.878 -14.500 86.487 1.00 27.05 C ATOM 2115 C ASP A 215 5.069 -13.364 87.104 1.00 26.32 C ATOM 2116 O ASP A 215 4.033 -13.591 87.736 1.00 28.46 O ATOM 2117 CB ASP A 215 7.168 -14.696 87.308 1.00 27.36 C ATOM 2118 CG ASP A 215 7.925 -15.965 86.967 1.00 34.86 C ATOM 2119 OD1 ASP A 215 7.325 -16.891 86.378 1.00 41.40 O ATOM 2120 OD2 ASP A 215 9.135 -16.048 87.330 1.00 32.20 O ATOM 2121 H ASP A 215 7.169 -14.261 84.754 1.00 0.00 H ATOM 2122 N HIS A 216 5.552 -12.131 86.956 1.00 22.06 N ATOM 2123 CA HIS A 216 4.936 -11.011 87.657 1.00 24.45 C ATOM 2124 C HIS A 216 3.570 -10.717 87.085 1.00 24.93 C ATOM 2125 O HIS A 216 2.648 -10.370 87.825 1.00 22.01 O ATOM 2126 CB HIS A 216 5.787 -9.751 87.563 1.00 20.98 C ATOM 2127 CG HIS A 216 6.991 -9.740 88.447 1.00 22.21 C ATOM 2128 ND1 HIS A 216 7.107 -10.515 89.579 1.00 24.63 N ATOM 2129 CD2 HIS A 216 8.133 -9.023 88.361 1.00 27.03 C ATOM 2130 CE1 HIS A 216 8.293 -10.299 90.139 1.00 28.90 C ATOM 2131 NE2 HIS A 216 8.918 -9.373 89.435 1.00 25.51 N ATOM 2132 H HIS A 216 6.372 -11.967 86.338 1.00 0.00 H ATOM 2133 N GLY A 217 3.422 -10.809 85.763 1.00 21.22 N ATOM 2134 CA GLY A 217 2.126 -10.485 85.172 1.00 19.00 C ATOM 2135 C GLY A 217 1.055 -11.492 85.546 1.00 23.45 C ATOM 2136 O GLY A 217 -0.077 -11.115 85.854 1.00 21.33 O ATOM 2137 H GLY A 217 4.217 -11.107 85.162 1.00 0.00 H ATOM 2138 N ASP A 218 1.397 -12.779 85.567 1.00 23.24 N ATOM 2139 CA ASP A 218 0.423 -13.761 86.034 1.00 22.98 C ATOM 2140 C ASP A 218 0.072 -13.531 87.500 1.00 24.94 C ATOM 2141 O ASP A 218 -1.082 -13.695 87.900 1.00 25.99 O ATOM 2142 CB ASP A 218 0.933 -15.186 85.839 1.00 29.02 C ATOM 2143 CG ASP A 218 1.053 -15.586 84.362 1.00 39.40 C ATOM 2144 OD1 ASP A 218 0.456 -14.909 83.476 1.00 37.31 O ATOM 2145 OD2 ASP A 218 1.734 -16.610 84.105 1.00 41.08 O ATOM 2146 H ASP A 218 2.343 -13.080 85.256 1.00 0.00 H ATOM 2147 N GLN A 219 1.056 -13.197 88.336 1.00 21.73 N ATOM 2148 CA GLN A 219 0.768 -12.939 89.747 1.00 21.76 C ATOM 2149 C GLN A 219 -0.145 -11.729 89.887 1.00 22.60 C ATOM 2150 O GLN A 219 -1.067 -11.725 90.725 1.00 25.10 O ATOM 2151 CB GLN A 219 2.070 -12.708 90.515 1.00 25.08 C ATOM 2152 CG GLN A 219 2.911 -13.963 90.666 1.00 29.77 C ATOM 2153 CD GLN A 219 4.417 -13.668 90.825 1.00 47.22 C ATOM 2154 OE1 GLN A 219 4.863 -12.501 90.857 1.00 46.97 O ATOM 2155 NE2 GLN A 219 5.208 -14.733 90.878 1.00 48.68 N ATOM 2156 HE22 GLN A 219 4.797 -15.688 90.849 1.00 0.00 H ATOM 2157 HE21 GLN A 219 6.239 -14.612 90.949 1.00 0.00 H ATOM 2158 H GLN A 219 2.031 -13.120 87.984 1.00 0.00 H ATOM 2159 N LEU A 220 0.123 -10.688 89.098 1.00 20.68 N ATOM 2160 CA LEU A 220 -0.626 -9.449 89.192 1.00 18.27 C ATOM 2161 C LEU A 220 -2.056 -9.659 88.717 1.00 21.83 C ATOM 2162 O LEU A 220 -3.001 -9.143 89.324 1.00 21.54 O ATOM 2163 CB LEU A 220 0.100 -8.380 88.391 1.00 22.50 C ATOM 2164 CG LEU A 220 -0.515 -7.000 88.456 1.00 22.74 C ATOM 2165 CD1 LEU A 220 -0.694 -6.516 89.923 1.00 26.37 C ATOM 2166 CD2 LEU A 220 0.350 -6.067 87.638 1.00 23.40 C ATOM 2167 H LEU A 220 0.888 -10.766 88.398 1.00 0.00 H ATOM 2168 N MET A 221 -2.244 -10.471 87.685 1.00 21.94 N ATOM 2169 CA MET A 221 -3.607 -10.779 87.246 1.00 21.59 C ATOM 2170 C MET A 221 -4.361 -11.565 88.317 1.00 20.76 C ATOM 2171 O MET A 221 -5.533 -11.264 88.613 1.00 22.15 O ATOM 2172 CB MET A 221 -3.568 -11.551 85.913 1.00 22.09 C ATOM 2173 CG MET A 221 -4.964 -11.908 85.346 1.00 21.99 C ATOM 2174 SD MET A 221 -5.743 -10.396 84.823 1.00 23.24 S ATOM 2175 CE MET A 221 -4.914 -10.055 83.300 1.00 19.82 C ATOM 2176 H MET A 221 -1.429 -10.886 87.191 1.00 0.00 H ATOM 2177 N GLN A 222 -3.721 -12.581 88.911 1.00 20.11 N ATOM 2178 CA GLN A 222 -4.353 -13.341 89.986 1.00 22.47 C ATOM 2179 C GLN A 222 -4.714 -12.443 91.163 1.00 23.41 C ATOM 2180 O GLN A 222 -5.739 -12.669 91.827 1.00 24.68 O ATOM 2181 CB GLN A 222 -3.457 -14.478 90.460 1.00 26.05 C ATOM 2182 CG GLN A 222 -3.198 -15.525 89.427 1.00 29.93 C ATOM 2183 CD GLN A 222 -4.488 -16.163 88.952 1.00 36.78 C ATOM 2184 OE1 GLN A 222 -4.881 -16.027 87.781 1.00 43.21 O ATOM 2185 NE2 GLN A 222 -5.173 -16.843 89.870 1.00 34.26 N ATOM 2186 HE22 GLN A 222 -4.802 -16.929 90.838 1.00 0.00 H ATOM 2187 HE21 GLN A 222 -6.079 -17.288 89.619 1.00 0.00 H ATOM 2188 H GLN A 222 -2.760 -12.832 88.602 1.00 0.00 H ATOM 2189 N LEU A 223 -3.887 -11.424 91.429 1.00 22.13 N ATOM 2190 CA LEU A 223 -4.195 -10.498 92.514 1.00 22.63 C ATOM 2191 C LEU A 223 -5.442 -9.678 92.203 1.00 20.40 C ATOM 2192 O LEU A 223 -6.321 -9.547 93.066 1.00 24.20 O ATOM 2193 CB LEU A 223 -3.007 -9.569 92.761 1.00 24.39 C ATOM 2194 CG LEU A 223 -3.155 -8.674 94.005 1.00 29.71 C ATOM 2195 CD1 LEU A 223 -3.436 -9.434 95.310 1.00 29.53 C ATOM 2196 CD2 LEU A 223 -1.841 -7.882 94.145 1.00 28.45 C ATOM 2197 H LEU A 223 -3.025 -11.292 90.862 1.00 0.00 H ATOM 2198 N ALA A 224 -5.557 -9.163 90.961 1.00 19.48 N ATOM 2199 CA ALA A 224 -6.736 -8.385 90.591 1.00 21.49 C ATOM 2200 C ALA A 224 -7.978 -9.237 90.743 1.00 23.11 C ATOM 2201 O ALA A 224 -9.030 -8.775 91.232 1.00 22.64 O ATOM 2202 CB ALA A 224 -6.595 -7.892 89.157 1.00 19.27 C ATOM 2203 H ALA A 224 -4.802 -9.321 90.264 1.00 0.00 H ATOM 2204 N LEU A 225 -7.867 -10.504 90.347 1.00 19.54 N ATOM 2205 CA LEU A 225 -9.021 -11.397 90.441 1.00 23.60 C ATOM 2206 C LEU A 225 -9.330 -11.764 91.890 1.00 24.76 C ATOM 2207 O LEU A 225 -10.506 -11.853 92.284 1.00 28.05 O ATOM 2208 CB LEU A 225 -8.773 -12.635 89.567 1.00 24.97 C ATOM 2209 CG LEU A 225 -8.682 -12.319 88.052 1.00 27.48 C ATOM 2210 CD1 LEU A 225 -8.285 -13.554 87.236 1.00 26.88 C ATOM 2211 CD2 LEU A 225 -9.974 -11.676 87.467 1.00 31.77 C ATOM 2212 H LEU A 225 -6.963 -10.857 89.972 1.00 0.00 H ATOM 2213 N ASP A 226 -8.298 -11.939 92.726 1.00 25.06 N ATOM 2214 CA ASP A 226 -8.543 -12.220 94.129 1.00 25.79 C ATOM 2215 C ASP A 226 -9.217 -11.049 94.828 1.00 26.95 C ATOM 2216 O ASP A 226 -9.950 -11.248 95.815 1.00 28.44 O ATOM 2217 CB ASP A 226 -7.228 -12.573 94.823 1.00 23.61 C ATOM 2218 CG ASP A 226 -7.446 -13.400 96.055 1.00 29.39 C ATOM 2219 OD1 ASP A 226 -8.246 -14.384 96.038 1.00 36.24 O ATOM 2220 OD2 ASP A 226 -6.847 -13.054 97.102 1.00 30.39 O ATOM 2221 H ASP A 226 -7.323 -11.874 92.370 1.00 0.00 H ATOM 2222 N ASN A 227 -8.974 -9.837 94.338 1.00 25.21 N ATOM 2223 CA ASN A 227 -9.653 -8.642 94.816 1.00 28.31 C ATOM 2224 C ASN A 227 -11.038 -8.454 94.190 1.00 30.22 C ATOM 2225 O ASN A 227 -11.662 -7.408 94.386 1.00 31.43 O ATOM 2226 CB ASN A 227 -8.773 -7.421 94.546 1.00 31.41 C ATOM 2227 CG ASN A 227 -7.866 -7.116 95.698 1.00 35.02 C ATOM 2228 OD1 ASN A 227 -6.646 -7.225 95.599 1.00 36.27 O ATOM 2229 ND2 ASN A 227 -8.465 -6.738 96.826 1.00 41.69 N ATOM 2230 HD22 ASN A 227 -9.501 -6.659 96.863 1.00 0.00 H ATOM 2231 HD21 ASN A 227 -7.896 -6.521 97.669 1.00 0.00 H ATOM 2232 H ASN A 227 -8.268 -9.739 93.580 1.00 0.00 H ATOM 2233 N HIS A 228 -11.507 -9.435 93.429 1.00 28.47 N ATOM 2234 CA HIS A 228 -12.871 -9.452 92.909 1.00 28.59 C ATOM 2235 C HIS A 228 -13.113 -8.272 91.974 1.00 26.60 C ATOM 2236 O HIS A 228 -14.145 -7.608 92.042 1.00 27.35 O ATOM 2237 CB HIS A 228 -13.877 -9.502 94.058 1.00 35.05 C ATOM 2238 CG HIS A 228 -13.646 -10.664 94.978 1.00 37.46 C ATOM 2239 ND1 HIS A 228 -13.162 -10.524 96.260 1.00 41.08 N ATOM 2240 CD2 HIS A 228 -13.801 -11.994 94.777 1.00 39.75 C ATOM 2241 CE1 HIS A 228 -13.044 -11.717 96.819 1.00 40.54 C ATOM 2242 NE2 HIS A 228 -13.424 -12.627 95.936 1.00 41.12 N ATOM 2243 H HIS A 228 -10.875 -10.226 93.193 1.00 0.00 H ATOM 2244 N SER A 229 -12.156 -8.005 91.090 1.00 23.70 N ATOM 2245 CA SER A 229 -12.416 -7.050 90.020 1.00 20.36 C ATOM 2246 C SER A 229 -13.639 -7.473 89.220 1.00 25.68 C ATOM 2247 O SER A 229 -13.755 -8.634 88.825 1.00 27.89 O ATOM 2248 CB SER A 229 -11.213 -6.961 89.064 1.00 20.36 C ATOM 2249 OG SER A 229 -11.504 -6.048 87.996 1.00 21.47 O ATOM 2250 HG SER A 229 -10.726 -5.997 87.386 1.00 0.00 H ATOM 2251 H SER A 229 -11.230 -8.473 91.162 1.00 0.00 H ATOM 2252 N LYS A 230 -14.573 -6.541 89.027 1.00 23.57 N ATOM 2253 CA LYS A 230 -15.791 -6.781 88.254 1.00 21.61 C ATOM 2254 C LYS A 230 -15.675 -6.194 86.862 1.00 25.11 C ATOM 2255 O LYS A 230 -16.704 -5.821 86.278 1.00 26.73 O ATOM 2256 CB LYS A 230 -17.050 -6.216 88.925 1.00 27.46 C ATOM 2257 CG LYS A 230 -17.447 -6.810 90.251 1.00 39.18 C ATOM 2258 CD LYS A 230 -16.551 -6.274 91.324 1.00 51.84 C ATOM 2259 CE LYS A 230 -16.893 -6.844 92.702 1.00 53.68 C ATOM 2260 NZ LYS A 230 -16.162 -6.045 93.724 1.00 47.82 N ATOM 2261 HZ1 LYS A 230 -15.139 -6.114 93.550 1.00 0.00 H ATOM 2262 HZ2 LYS A 230 -16.459 -5.050 93.662 1.00 0.00 H ATOM 2263 HZ3 LYS A 230 -16.379 -6.415 94.672 1.00 0.00 H ATOM 2264 H LYS A 230 -14.429 -5.600 89.446 1.00 0.00 H ATOM 2265 N ASP A 231 -14.454 -6.117 86.320 1.00 18.76 N ATOM 2266 CA ASP A 231 -14.203 -5.458 85.057 1.00 19.25 C ATOM 2267 C ASP A 231 -13.233 -6.311 84.256 1.00 18.81 C ATOM 2268 O ASP A 231 -12.636 -7.259 84.769 1.00 20.13 O ATOM 2269 CB ASP A 231 -13.649 -4.032 85.292 1.00 17.70 C ATOM 2270 CG ASP A 231 -13.683 -3.140 84.056 1.00 16.98 C ATOM 2271 OD1 ASP A 231 -14.274 -3.524 82.975 1.00 18.42 O ATOM 2272 OD2 ASP A 231 -13.145 -2.013 84.176 1.00 16.66 O ATOM 2273 H ASP A 231 -13.654 -6.548 86.827 1.00 0.00 H ATOM 2274 N ASN A 232 -13.167 -6.027 82.970 1.00 16.75 N ATOM 2275 CA ASN A 232 -12.026 -6.495 82.184 1.00 15.69 C ATOM 2276 C ASN A 232 -10.733 -5.977 82.793 1.00 14.72 C ATOM 2277 O ASN A 232 -10.626 -4.799 83.162 1.00 17.09 O ATOM 2278 CB ASN A 232 -12.131 -5.984 80.740 1.00 14.74 C ATOM 2279 CG ASN A 232 -13.460 -6.273 80.080 1.00 18.41 C ATOM 2280 OD1 ASN A 232 -13.902 -5.447 79.272 1.00 17.27 O ATOM 2281 ND2 ASN A 232 -14.043 -7.429 80.328 1.00 18.27 N ATOM 2282 HD22 ASN A 232 -13.625 -8.085 81.019 1.00 0.00 H ATOM 2283 HD21 ASN A 232 -14.921 -7.685 79.833 1.00 0.00 H ATOM 2284 H ASN A 232 -13.922 -5.473 82.517 1.00 0.00 H ATOM 2285 N VAL A 233 -9.714 -6.839 82.865 1.00 18.36 N ATOM 2286 CA VAL A 233 -8.421 -6.468 83.471 1.00 17.04 C ATOM 2287 C VAL A 233 -7.337 -6.639 82.412 1.00 15.55 C ATOM 2288 O VAL A 233 -7.171 -7.739 81.868 1.00 17.46 O ATOM 2289 CB VAL A 233 -8.104 -7.327 84.706 1.00 16.48 C ATOM 2290 CG1 VAL A 233 -6.732 -6.904 85.321 1.00 16.63 C ATOM 2291 CG2 VAL A 233 -9.223 -7.268 85.736 1.00 17.65 C ATOM 2292 H VAL A 233 -9.836 -7.799 82.483 1.00 0.00 H ATOM 2293 N THR A 234 -6.605 -5.563 82.116 1.00 15.88 N ATOM 2294 CA THR A 234 -5.587 -5.602 81.080 1.00 14.43 C ATOM 2295 C THR A 234 -4.401 -4.761 81.495 1.00 14.63 C ATOM 2296 O THR A 234 -4.562 -3.670 82.059 1.00 15.67 O ATOM 2297 CB THR A 234 -6.159 -5.090 79.745 1.00 15.84 C ATOM 2298 OG1 THR A 234 -7.306 -5.884 79.434 1.00 16.85 O ATOM 2299 CG2 THR A 234 -5.151 -5.216 78.604 1.00 18.57 C ATOM 2300 HG1 THR A 234 -7.037 -6.833 79.353 1.00 0.00 H ATOM 2301 H THR A 234 -6.767 -4.678 82.638 1.00 0.00 H ATOM 2302 N PHE A 235 -3.196 -5.247 81.161 1.00 15.03 N ATOM 2303 CA PHE A 235 -2.026 -4.418 81.413 1.00 14.07 C ATOM 2304 C PHE A 235 -0.876 -4.901 80.550 1.00 15.13 C ATOM 2305 O PHE A 235 -0.856 -6.046 80.073 1.00 16.54 O ATOM 2306 CB PHE A 235 -1.613 -4.406 82.924 1.00 16.15 C ATOM 2307 CG PHE A 235 -1.527 -5.747 83.564 1.00 18.47 C ATOM 2308 CD1 PHE A 235 -0.337 -6.464 83.542 1.00 18.79 C ATOM 2309 CD2 PHE A 235 -2.626 -6.306 84.192 1.00 18.91 C ATOM 2310 CE1 PHE A 235 -0.255 -7.722 84.159 1.00 21.39 C ATOM 2311 CE2 PHE A 235 -2.535 -7.549 84.805 1.00 17.65 C ATOM 2312 CZ PHE A 235 -1.326 -8.256 84.787 1.00 20.29 C ATOM 2313 H PHE A 235 -3.100 -6.190 80.734 1.00 0.00 H ATOM 2314 N ILE A 236 0.043 -3.977 80.295 1.00 14.48 N ATOM 2315 CA ILE A 236 1.351 -4.283 79.699 1.00 12.97 C ATOM 2316 C ILE A 236 2.368 -4.054 80.792 1.00 13.19 C ATOM 2317 O ILE A 236 2.410 -2.962 81.384 1.00 17.18 O ATOM 2318 CB ILE A 236 1.620 -3.401 78.486 1.00 13.91 C ATOM 2319 CG1 ILE A 236 0.611 -3.751 77.387 1.00 17.42 C ATOM 2320 CG2 ILE A 236 3.061 -3.625 77.976 1.00 16.61 C ATOM 2321 CD1 ILE A 236 0.660 -2.796 76.219 1.00 18.60 C ATOM 2322 H ILE A 236 -0.174 -2.987 80.529 1.00 0.00 H ATOM 2323 N LEU A 237 3.215 -5.036 81.026 1.00 15.98 N ATOM 2324 CA LEU A 237 4.322 -4.897 81.962 1.00 16.06 C ATOM 2325 C LEU A 237 5.603 -4.948 81.159 1.00 19.15 C ATOM 2326 O LEU A 237 5.789 -5.874 80.363 1.00 18.05 O ATOM 2327 CB LEU A 237 4.256 -6.011 83.011 1.00 17.12 C ATOM 2328 CG LEU A 237 5.298 -5.977 84.127 1.00 20.55 C ATOM 2329 CD1 LEU A 237 5.216 -4.648 84.955 1.00 24.32 C ATOM 2330 CD2 LEU A 237 5.132 -7.216 85.006 1.00 21.22 C ATOM 2331 H LEU A 237 3.089 -5.939 80.526 1.00 0.00 H ATOM 2332 N ALA A 238 6.522 -4.013 81.425 1.00 17.67 N ATOM 2333 CA ALA A 238 7.774 -3.956 80.655 1.00 18.60 C ATOM 2334 C ALA A 238 8.933 -3.749 81.605 1.00 20.75 C ATOM 2335 O ALA A 238 8.829 -2.953 82.550 1.00 21.46 O ATOM 2336 CB ALA A 238 7.732 -2.839 79.621 1.00 20.66 C ATOM 2337 H ALA A 238 6.350 -3.321 82.182 1.00 0.00 H ATOM 2338 N ALA A 239 10.001 -4.525 81.424 1.00 21.65 N ATOM 2339 CA ALA A 239 11.169 -4.408 82.281 1.00 24.09 C ATOM 2340 C ALA A 239 12.141 -3.407 81.675 1.00 30.67 C ATOM 2341 O ALA A 239 12.515 -3.522 80.502 1.00 28.42 O ATOM 2342 CB ALA A 239 11.858 -5.762 82.474 1.00 27.10 C ATOM 2343 H ALA A 239 9.999 -5.227 80.656 1.00 0.00 H ATOM 2344 N ILE A 240 12.570 -2.452 82.495 1.00 28.44 N ATOM 2345 CA ILE A 240 13.535 -1.436 82.117 1.00 26.34 C ATOM 2346 C ILE A 240 14.903 -2.031 82.336 1.00 39.19 C ATOM 2347 O ILE A 240 15.242 -2.424 83.461 1.00 37.39 O ATOM 2348 CB ILE A 240 13.323 -0.147 82.945 1.00 24.78 C ATOM 2349 CG1 ILE A 240 11.914 0.406 82.672 1.00 24.48 C ATOM 2350 CG2 ILE A 240 14.412 0.884 82.645 1.00 28.35 C ATOM 2351 CD1 ILE A 240 11.459 1.461 83.726 1.00 24.66 C ATOM 2352 H ILE A 240 12.192 -2.432 83.464 1.00 0.00 H ATOM 2353 N GLU A 241 15.679 -2.130 81.263 1.00 39.06 N ATOM 2354 CA GLU A 241 17.017 -2.734 81.363 1.00 49.18 C ATOM 2355 H GLU A 241 15.339 -1.778 80.345 1.00 0.00 H TER 2356 GLU A 241 HETATM 2357 MG MG A 1 -20.559 -3.631 75.702 1.00 18.00 MG HETATM 2358 MG MG A 2 16.585 0.022 90.063 1.00 34.33 MG HETATM 2359 MN MN A 3 -12.440 -0.678 82.647 1.00 15.70 MN HETATM 2360 MN MN A 4 -14.294 -1.136 79.308 1.00 14.90 MN HETATM 2361 MN MN A 5 -12.765 3.991 85.672 1.00 16.57 MN HETATM 2362 MN MN A 6 10.725 -8.072 90.135 1.00 27.41 MN HETATM 2363 O HOH 7 -15.711 -6.931 95.560 1.00 68.22 O HETATM 2364 O HOH 8 11.462 -11.511 82.174 1.00 32.40 O HETATM 2365 O HOH 9 -17.667 -3.646 63.576 1.00 31.42 O HETATM 2366 O HOH 10 17.161 -1.724 89.295 1.00 43.04 O HETATM 2367 O HOH 11 -6.540 -4.049 96.987 1.00 32.35 O HETATM 2368 O HOH 12 -7.215 14.198 61.440 1.00 43.90 O HETATM 2369 O HOH 13 -2.119 6.135 91.868 1.00 29.47 O HETATM 2370 O HOH 14 -5.184 9.867 58.083 1.00 34.23 O HETATM 2371 O HOH 15 -16.078 16.270 62.236 1.00 24.29 O HETATM 2372 O HOH 16 23.077 4.316 73.132 1.00 27.21 O HETATM 2373 O HOH 17 -13.257 -1.070 86.847 1.00 25.99 O HETATM 2374 O HOH 18 -19.777 -1.616 75.451 1.00 18.56 O HETATM 2375 O HOH 19 0.922 -2.910 58.934 1.00 34.26 O HETATM 2376 O HOH 20 -5.072 -5.296 64.615 1.00 39.58 O HETATM 2377 O HOH 21 -15.560 8.921 87.613 1.00 24.83 O HETATM 2378 O HOH 22 14.566 11.937 62.950 1.00 31.33 O HETATM 2379 O HOH 23 -9.369 4.007 59.466 1.00 39.96 O HETATM 2380 O HOH 24 -13.815 2.874 87.081 1.00 18.01 O HETATM 2381 O HOH 25 -8.621 4.873 86.689 1.00 17.80 O HETATM 2382 O HOH 26 -3.631 12.081 81.793 1.00 17.80 O HETATM 2383 O HOH 27 -3.203 -3.394 61.970 1.00 32.25 O HETATM 2384 O HOH 28 0.036 -12.715 78.645 1.00 48.11 O HETATM 2385 O HOH 29 1.373 5.927 94.150 1.00 29.53 O HETATM 2386 O HOH 30 -2.146 -7.389 70.862 1.00 37.72 O HETATM 2387 O HOH 31 -10.241 8.148 88.732 1.00 29.25 O HETATM 2388 O HOH 32 4.235 -4.928 65.118 1.00 22.99 O HETATM 2389 O HOH 33 -13.610 5.763 86.528 1.00 18.12 O HETATM 2390 O HOH 34 -13.214 -2.812 78.801 1.00 15.10 O HETATM 2391 O HOH 35 -20.363 -4.127 73.722 1.00 20.19 O HETATM 2392 O HOH 36 1.587 -6.481 60.803 1.00 35.35 O HETATM 2393 O HOH 37 8.749 14.378 71.341 1.00 18.08 O HETATM 2394 O HOH 38 -13.168 -14.618 97.695 1.00 51.13 O HETATM 2395 O HOH 39 -15.453 -2.222 87.970 1.00 27.59 O HETATM 2396 O HOH 40 -6.633 6.422 79.521 1.00 14.84 O HETATM 2397 O HOH 41 -11.940 19.758 100.123 1.00 33.14 O HETATM 2398 O HOH 42 4.018 10.297 59.869 1.00 38.72 O HETATM 2399 O HOH 43 9.145 7.231 59.342 1.00 26.61 O HETATM 2400 O HOH 44 16.064 1.872 91.016 1.00 40.93 O HETATM 2401 O HOH 45 2.068 6.304 59.867 1.00 23.63 O HETATM 2402 O HOH 46 -11.244 4.074 87.193 1.00 16.54 O HETATM 2403 O HOH 47 3.478 12.951 85.277 1.00 28.07 O HETATM 2404 O HOH 48 2.932 18.675 68.725 1.00 40.86 O HETATM 2405 O HOH 49 -4.837 17.694 77.227 1.00 31.66 O HETATM 2406 O HOH 50 -19.760 15.064 71.177 1.00 38.06 O HETATM 2407 O HOH 51 -13.817 12.171 71.595 1.00 21.41 O HETATM 2408 O HOH 52 8.706 -16.932 82.763 1.00 38.34 O HETATM 2409 O HOH 53 -4.554 8.048 84.082 1.00 16.09 O HETATM 2410 O HOH 54 0.842 -0.436 58.103 1.00 27.21 O HETATM 2411 O HOH 55 16.960 0.602 88.178 1.00 40.88 O HETATM 2412 O HOH 56 -19.238 7.756 69.624 1.00 22.83 O HETATM 2413 O HOH 57 -15.502 -9.236 84.261 1.00 35.26 O HETATM 2414 O HOH 58 -14.354 3.966 84.263 1.00 18.41 O HETATM 2415 O HOH 59 -6.200 17.081 80.416 1.00 34.72 O HETATM 2416 O HOH 60 -12.938 3.387 81.984 1.00 15.46 O HETATM 2417 O HOH 61 10.656 -9.012 86.081 1.00 27.71 O HETATM 2418 O HOH 62 -12.024 16.953 63.996 1.00 20.47 O HETATM 2419 O HOH 63 -16.082 -2.210 78.973 1.00 14.69 O HETATM 2420 O HOH 64 7.935 -7.170 98.229 1.00 29.40 O HETATM 2421 O HOH 65 -21.162 8.235 74.491 1.00 31.01 O HETATM 2422 O HOH 66 -4.121 1.525 92.381 1.00 22.07 O HETATM 2423 O HOH 67 -1.054 -13.225 93.042 1.00 28.80 O HETATM 2424 O HOH 68 -11.151 -2.369 81.959 1.00 15.67 O HETATM 2425 O HOH 69 4.168 -8.035 70.249 1.00 32.01 O HETATM 2426 O HOH 70 -18.305 -7.870 68.919 1.00 25.03 O HETATM 2427 O HOH 71 -8.033 2.814 88.491 1.00 18.01 O HETATM 2428 O HOH 72 -14.166 7.045 59.772 1.00 27.94 O HETATM 2429 O HOH 73 -4.075 15.069 63.510 1.00 29.57 O HETATM 2430 O HOH 74 -6.962 15.013 84.810 1.00 40.91 O HETATM 2431 O HOH 75 -9.461 2.224 81.994 1.00 14.17 O HETATM 2432 O HOH 76 -11.779 15.239 84.703 1.00 41.95 O HETATM 2433 O HOH 77 -9.825 14.644 66.937 1.00 15.79 O HETATM 2434 O HOH 78 -2.841 17.447 73.029 1.00 37.02 O HETATM 2435 O HOH 79 15.845 -0.968 91.969 1.00 33.70 O HETATM 2436 O HOH 80 12.590 -12.194 95.550 1.00 33.79 O HETATM 2437 O HOH 81 -18.491 2.053 74.175 1.00 16.30 O HETATM 2438 O HOH 82 15.335 2.975 65.184 1.00 32.58 O HETATM 2439 O HOH 83 -21.168 -4.580 69.938 1.00 35.06 O HETATM 2440 O HOH 84 -5.578 9.875 101.714 1.00 24.71 O HETATM 2441 O HOH 85 -16.640 -4.850 79.533 1.00 20.63 O HETATM 2442 O HOH 86 6.010 -11.189 93.115 1.00 37.54 O HETATM 2443 O HOH 87 -1.105 2.006 97.822 1.00 26.85 O HETATM 2444 O HOH 88 11.554 10.492 60.888 1.00 33.50 O HETATM 2445 O HOH 89 -16.692 19.603 68.616 1.00 26.15 O HETATM 2446 O HOH 90 -20.940 -3.258 77.711 1.00 19.26 O HETATM 2447 O HOH 91 11.883 1.290 70.936 1.00 24.68 O HETATM 2448 O HOH 92 -3.162 3.074 95.517 1.00 28.78 O HETATM 2449 O HOH 93 15.810 12.798 69.210 1.00 26.30 O HETATM 2450 O HOH 94 -15.983 6.688 58.329 1.00 35.65 O HETATM 2451 O HOH 95 -0.140 17.354 77.672 1.00 30.14 O HETATM 2452 O HOH 96 2.648 -9.978 74.933 1.00 27.19 O HETATM 2453 O HOH 97 12.570 -3.289 58.060 1.00 17.53 O HETATM 2454 O HOH 98 0.012 8.027 60.351 1.00 26.71 O HETATM 2455 O HOH 99 -0.107 13.357 85.958 1.00 31.12 O HETATM 2456 O HOH 100 -5.822 3.654 92.449 1.00 33.36 O HETATM 2457 O HOH 101 -7.802 -7.507 75.470 1.00 29.04 O HETATM 2458 O HOH 102 -10.309 16.488 74.999 1.00 26.63 O HETATM 2459 O HOH 103 -20.422 5.342 87.565 1.00 29.57 O HETATM 2460 O HOH 104 -21.049 10.967 70.818 1.00 37.24 O HETATM 2461 O HOH 105 -11.798 -5.433 72.817 1.00 27.23 O HETATM 2462 O HOH 106 -10.266 -3.905 96.136 1.00 38.20 O HETATM 2463 O HOH 107 -6.900 0.639 94.399 1.00 30.03 O HETATM 2464 O HOH 108 9.478 3.950 69.952 1.00 24.37 O HETATM 2465 O HOH 109 -13.090 13.518 75.100 1.00 42.96 O HETATM 2466 O HOH 110 -14.863 -10.859 74.333 1.00 33.46 O HETATM 2467 O HOH 111 -21.269 8.719 68.442 1.00 29.32 O HETATM 2468 O HOH 112 6.463 14.120 64.397 1.00 27.76 O HETATM 2469 O HOH 113 16.339 -2.271 86.687 1.00 43.54 O HETATM 2470 O HOH 114 13.328 16.284 72.469 1.00 50.82 O HETATM 2471 O HOH 115 0.643 -7.336 70.793 1.00 24.71 O HETATM 2472 O HOH 116 -18.377 16.347 67.674 1.00 20.17 O HETATM 2473 O HOH 117 -4.446 19.047 71.699 1.00 43.70 O HETATM 2474 O HOH 118 -10.288 -12.103 76.789 1.00 38.03 O HETATM 2475 O HOH 119 -5.368 10.136 88.479 1.00 22.55 O HETATM 2476 O HOH 120 13.494 3.895 69.824 1.00 29.45 O HETATM 2477 O HOH 121 8.956 -13.265 81.005 1.00 29.16 O HETATM 2478 O HOH 122 1.826 8.584 91.935 1.00 28.29 O HETATM 2479 O HOH 123 6.539 -8.178 71.810 1.00 33.91 O HETATM 2480 O HOH 124 -12.960 -1.701 65.119 1.00 22.04 O HETATM 2481 O HOH 125 16.035 8.369 75.425 1.00 28.97 O HETATM 2482 O HOH 126 11.602 12.327 83.953 1.00 29.22 O HETATM 2483 O HOH 127 -21.306 -5.566 76.159 1.00 22.17 O HETATM 2484 O HOH 128 15.607 9.079 69.681 1.00 26.52 O HETATM 2485 O HOH 129 -10.214 -13.818 79.323 1.00 40.18 O HETATM 2486 O HOH 130 -2.772 -15.247 85.791 1.00 38.06 O HETATM 2487 O HOH 131 -6.370 -6.450 71.838 1.00 29.64 O HETATM 2488 O HOH 132 -8.003 11.902 101.814 1.00 31.50 O HETATM 2489 O HOH 133 -3.349 -12.758 79.001 1.00 30.17 O HETATM 2490 O HOH 134 -17.951 -2.129 59.419 1.00 27.34 O HETATM 2491 O HOH 135 12.485 -7.107 90.507 1.00 26.14 O HETATM 2492 O HOH 136 -18.798 -6.136 78.359 1.00 22.29 O HETATM 2493 O HOH 137 1.847 10.659 61.255 1.00 32.29 O HETATM 2494 O HOH 138 -10.747 -14.942 94.223 1.00 39.97 O HETATM 2495 O HOH 139 9.106 5.449 67.740 1.00 27.02 O HETATM 2496 O HOH 140 9.448 -8.206 74.450 1.00 38.05 O HETATM 2497 O HOH 141 5.810 6.093 95.667 1.00 32.70 O HETATM 2498 O HOH 142 5.878 15.392 81.131 1.00 28.87 O HETATM 2499 O HOH 143 -0.208 -7.084 96.635 1.00 60.27 O HETATM 2500 O HOH 144 16.076 4.851 71.139 1.00 33.69 O HETATM 2501 O HOH 145 -6.971 -6.025 69.414 1.00 39.07 O HETATM 2502 O HOH 146 0.236 16.735 80.400 1.00 43.94 O HETATM 2503 O HOH 147 -21.208 -6.267 80.231 1.00 35.81 O HETATM 2504 O HOH 148 4.793 17.241 77.145 1.00 47.96 O HETATM 2505 O HOH 149 -22.507 -2.844 75.217 1.00 20.55 O HETATM 2506 O HOH 150 11.008 -8.015 67.365 1.00 45.63 O HETATM 2507 O HOH 151 14.494 1.181 69.948 1.00 40.19 O HETATM 2508 O HOH 152 3.921 16.715 81.290 1.00 57.62 O HETATM 2509 O HOH 153 -11.948 6.112 89.179 1.00 34.70 O HETATM 2510 O HOH 154 2.700 13.202 62.838 1.00 45.86 O HETATM 2511 O HOH 155 15.816 -3.858 77.914 1.00 48.58 O HETATM 2512 O HOH 156 12.812 -8.952 84.273 1.00 39.57 O HETATM 2513 O HOH 157 16.430 8.581 72.223 1.00 39.61 O HETATM 2514 O HOH 158 -15.182 0.911 84.994 1.00 35.42 O HETATM 2515 O HOH 159 -13.943 2.752 79.431 1.00 16.27 O HETATM 2516 N GLY A 160 -19.795 8.326 79.870 1.00 0.24 N HETATM 2517 CA GLY A 160 -18.540 8.214 80.595 1.00 0.05 C HETATM 2518 C GLY A 160 -18.391 6.841 81.230 1.00 0.22 C HETATM 2519 O GLY A 160 -19.222 6.453 82.059 1.00 -0.39 O HETATM 2520 N GLY A 160 -17.400 6.096 80.788 1.00 -0.26 N HETATM 2521 CA GLY A 160 -17.073 4.755 81.250 1.00 0.12 C HETATM 2522 C GLY A 160 -18.013 3.558 81.137 1.00 0.20 C HETATM 2523 O GLY A 160 -19.030 3.567 80.417 1.00 -0.39 O HETATM 2524 N GLY A 160 -17.641 2.560 81.946 1.00 -0.27 N HETATM 2525 CA GLY A 160 -18.182 1.212 82.103 1.00 0.12 C HETATM 2526 CB GLY A 160 -17.159 0.429 82.964 1.00 0.11 C HETATM 2527 OG GLY A 160 -16.390 -0.567 82.295 1.00 -0.27 O HETATM 2528 P GLY A 160 -14.985 -0.197 81.677 1.00 0.20 P HETATM 2529 O1P GLY A 160 -15.197 0.450 80.303 1.00 -0.55 O HETATM 2530 O2P GLY A 160 -14.274 -1.538 81.367 1.00 -0.55 O HETATM 2531 O3P GLY A 160 -14.216 0.696 82.681 1.00 -0.55 O HETATM 2532 H11 GLY A 160 -17.715 -0.067 83.774 1.00 0.07 H HETATM 2533 H12 GLY A 160 -16.457 1.159 83.394 1.00 0.07 H HETATM 2534 C GLY A 160 -19.574 1.130 82.798 1.00 0.06 C HETATM 2535 O GLY A 160 -20.191 0.056 82.870 1.00 -0.57 O HETATM 2536 OXT GLY A 160 -20.144 2.095 83.333 1.00 -0.57 O HETATM 2537 H10 GLY A 160 -18.267 0.751 81.108 1.00 0.08 H HETATM 2538 H9 GLY A 160 -16.865 2.771 82.541 1.00 0.19 H HETATM 2539 H7 GLY A 160 -16.848 4.856 82.322 1.00 0.08 H HETATM 2540 H8 GLY A 160 -16.160 4.468 80.709 1.00 0.08 H HETATM 2541 H6 GLY A 160 -16.821 6.486 80.072 1.00 0.19 H HETATM 2542 H4 GLY A 160 -18.513 8.979 81.385 1.00 0.11 H HETATM 2543 H5 GLY A 160 -17.706 8.378 79.896 1.00 0.11 H HETATM 2544 H1 GLY A 160 -19.866 9.245 79.461 1.00 0.20 H HETATM 2545 H2 GLY A 160 -20.564 8.181 80.505 1.00 0.20 H HETATM 2546 H3 GLY A 160 -19.825 7.630 79.141 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 188 186 2357 CONECT 365 364 2360 CONECT 366 364 2359 CONECT 371 370 2360 CONECT 1162 1160 2361 CONECT 1837 1836 2358 CONECT 1851 1850 1852 2362 CONECT 1906 1905 2359 CONECT 1907 1905 2361 CONECT 2051 2050 2362 CONECT 2068 2067 2362 CONECT 2131 2129 2130 2362 CONECT 2272 2270 2359 CONECT 2357 188 CONECT 2358 1837 CONECT 2359 366 1906 2272 CONECT 2360 365 371 CONECT 2361 1162 1907 CONECT 2362 1851 2051 2068 2131 CONECT 2516 2517 2544 2545 2546 CONECT 2517 2516 2518 2542 2543 CONECT 2518 2517 2519 2520 CONECT 2519 2518 CONECT 2520 2518 2521 2541 CONECT 2521 2520 2522 2539 2540 CONECT 2522 2521 2523 2524 CONECT 2523 2522 CONECT 2524 2522 2525 2538 CONECT 2525 2524 2526 2534 2537 CONECT 2526 2525 2527 2532 2533 CONECT 2527 2526 2528 CONECT 2528 2527 2529 2530 2531 CONECT 2529 2528 CONECT 2530 2528 CONECT 2531 2528 CONECT 2532 2526 CONECT 2533 2526 CONECT 2534 2525 2535 2536 CONECT 2535 2534 CONECT 2536 2534 CONECT 2537 2525 CONECT 2538 2524 CONECT 2539 2521 CONECT 2540 2521 CONECT 2541 2520 CONECT 2542 2517 CONECT 2543 2517 CONECT 2544 2516 CONECT 2545 2516 CONECT 2546 2516 MASTER 0 0 0 0 0 0 0 0 2545 1 54 19 END
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Entry Information
PDB ID
6iht
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Stp1
Ligand Name
3-mer
EC.Number
E.C.-.-.-.-
Resolution
1.57(Å)
Affinity (Kd/Ki/IC50)
Kd=6.2uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Infect Dis. Vol. 5: pp. 841-850
Ligand Properties
Formula
C
7
H
1
6
N
3
O
8
P
Molecular Weight
301.191
Exact Mass
301.068
No. of atoms
35
No. of bonds
34
Polar Surface Area
206.65
LOGP Value
-5.73 (
Computed with XLOGP3
)
-3.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 0
Canonical SMILES
[NH3+]CC(=O)NCC(=O)N[C@H](C(=O)O)COP(O)(O)O
InChI String
InChI=1S/C7H16N3O8P/c8-1-5(11)9-2-6(12)10-4(7(13)14)3-18-19(15,16)17/h4,15-17,19H,1-3,8H2,(H,9,11)(H,10,12)(H,13,14)/p+1/t4-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
Q9RL81
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
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