Browse entries in the PDBbind-CN Database
HEADER 5AAN_COMPLEX COMPND 5AAN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 183 LYS LYS ASN SER LYS LEU LYS GLN ASP THR ILE ASP ARG SEQRES 2 A 183 LEU THR THR ASP THR TYR PHE THR GLU LYS GLU ILE ARG SEQRES 3 A 183 GLN TRP HIS LYS GLY PHE LEU LYS ASP CYS PRO ASN GLY SEQRES 4 A 183 LEU LEU THR GLU GLN GLY PHE ILE LYS ILE TYR LYS GLN SEQRES 5 A 183 PHE PHE PRO ASP GLY ASP PRO SER LYS PHE ALA SER LEU SEQRES 6 A 183 VAL PHE ARG VAL PHE ASP GLU ASN ASN ASP GLY ALA ILE SEQRES 7 A 183 GLU PHE GLU GLU PHE ILE ARG ALA LEU SER ILE THR SER SEQRES 8 A 183 ARG GLY ASN LEU ASP GLU LYS LEU HIS TRP ALA PHE ARG SEQRES 9 A 183 LEU TYR ASP VAL ASP ASN ASP GLY TYR ILE THR ARG GLU SEQRES 10 A 183 GLU MET TYR ASN ILE VAL ASP ALA ILE TYR GLN MET VAL SEQRES 11 A 183 GLY GLN GLN PRO GLN THR GLU ASP GLU ASN THR PRO GLN SEQRES 12 A 183 LYS ARG VAL ASP LYS ILE PHE ASP GLN MET ASP LYS ASN SEQRES 13 A 183 HIS ASP ASP ARG LEU THR LEU GLU GLU PHE ARG GLU GLY SEQRES 14 A 183 SER LYS ALA ASP PRO ARG MET VAL GLN ALA LEU SER LEU SEQRES 15 A 183 GLY HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET XOC A 333 46 ATOM 1 N LYS A 3 -19.705 14.050 1.696 1.00 57.94 N ATOM 2 CA LYS A 3 -20.644 13.094 1.140 1.00 48.80 C ATOM 3 C LYS A 3 -21.724 12.747 2.158 1.00 64.67 C ATOM 4 O LYS A 3 -21.781 13.309 3.256 1.00 68.43 O ATOM 5 CB LYS A 3 -19.921 11.816 0.707 1.00 68.09 C ATOM 6 CG LYS A 3 -20.413 11.232 -0.607 1.00 64.19 C ATOM 7 CD LYS A 3 -20.802 9.761 -0.457 1.00 58.41 C ATOM 8 CE LYS A 3 -20.934 9.093 -1.820 1.00 52.62 C ATOM 9 NZ LYS A 3 -19.613 9.115 -2.533 1.00 58.66 N ATOM 10 HZ1 LYS A 3 -19.307 10.100 -2.663 1.00 0.00 H ATOM 11 HZ2 LYS A 3 -18.907 8.603 -1.967 1.00 0.00 H ATOM 12 HZ3 LYS A 3 -19.714 8.657 -3.461 1.00 0.00 H ATOM 13 HN3 LYS A 3 -19.254 13.641 2.539 1.00 0.00 H ATOM 14 HN2 LYS A 3 -20.212 14.919 1.959 1.00 0.00 H ATOM 15 HN1 LYS A 3 -18.978 14.273 0.987 1.00 0.00 H ATOM 16 N LYS A 4 -22.574 11.801 1.781 1.00 69.44 N ATOM 17 CA LYS A 4 -23.527 11.209 2.707 1.00 62.27 C ATOM 18 C LYS A 4 -22.780 10.231 3.629 1.00 68.42 C ATOM 19 O LYS A 4 -23.205 9.972 4.763 1.00 69.29 O ATOM 20 CB LYS A 4 -24.636 10.499 1.933 1.00 65.15 C ATOM 21 CG LYS A 4 -25.744 9.922 2.793 1.00 73.97 C ATOM 22 CD LYS A 4 -26.784 9.221 1.919 1.00 68.56 C ATOM 23 CE LYS A 4 -27.926 8.653 2.749 1.00 72.89 C ATOM 24 NZ LYS A 4 -28.941 7.969 1.888 1.00 74.75 N ATOM 25 HZ1 LYS A 4 -29.334 8.652 1.209 1.00 0.00 H ATOM 26 HZ2 LYS A 4 -28.487 7.188 1.373 1.00 0.00 H ATOM 27 HZ3 LYS A 4 -29.705 7.594 2.486 1.00 0.00 H ATOM 28 H LYS A 4 -22.559 11.473 0.794 1.00 0.00 H ATOM 29 N ASN A 5 -21.664 9.702 3.116 1.00 65.54 N ATOM 30 CA ASN A 5 -20.832 8.722 3.819 1.00 58.96 C ATOM 31 C ASN A 5 -19.542 9.337 4.340 1.00 45.59 C ATOM 32 O ASN A 5 -18.816 8.706 5.105 1.00 47.50 O ATOM 33 CB ASN A 5 -20.452 7.551 2.901 1.00 45.97 C ATOM 34 CG ASN A 5 -21.572 6.542 2.721 1.00 60.16 C ATOM 35 OD1 ASN A 5 -21.774 5.654 3.561 1.00 63.08 O ATOM 36 ND2 ASN A 5 -22.278 6.643 1.599 1.00 64.64 N ATOM 37 HD22 ASN A 5 -22.073 7.406 0.922 1.00 0.00 H ATOM 38 HD21 ASN A 5 -23.036 5.959 1.398 1.00 0.00 H ATOM 39 H ASN A 5 -21.370 10.003 2.165 1.00 0.00 H ATOM 40 N SER A 6 -19.230 10.540 3.881 1.00 43.51 N ATOM 41 CA SER A 6 -18.005 11.210 4.281 1.00 43.94 C ATOM 42 C SER A 6 -18.171 11.965 5.593 1.00 51.34 C ATOM 43 O SER A 6 -17.179 12.225 6.277 1.00 46.24 O ATOM 44 CB SER A 6 -17.548 12.175 3.194 1.00 52.75 C ATOM 45 OG SER A 6 -16.433 12.937 3.619 1.00 61.91 O ATOM 46 HG SER A 6 -16.679 13.460 4.423 1.00 0.00 H ATOM 47 H SER A 6 -19.877 11.015 3.219 1.00 0.00 H ATOM 48 N LYS A 7 -19.399 12.332 5.950 1.00 46.87 N ATOM 49 CA LYS A 7 -19.592 13.078 7.187 1.00 41.01 C ATOM 50 C LYS A 7 -19.948 12.134 8.311 1.00 45.92 C ATOM 51 O LYS A 7 -20.604 11.106 8.108 1.00 45.06 O ATOM 52 CB LYS A 7 -20.680 14.142 7.075 1.00 50.22 C ATOM 53 CG LYS A 7 -20.439 15.286 8.087 1.00 53.54 C ATOM 54 CD LYS A 7 -21.699 15.808 8.838 1.00 58.54 C ATOM 55 CE LYS A 7 -21.356 17.048 9.700 1.00 55.60 C ATOM 56 NZ LYS A 7 -22.458 17.549 10.584 1.00 55.40 N ATOM 57 HZ1 LYS A 7 -23.275 17.816 9.999 1.00 0.00 H ATOM 58 HZ2 LYS A 7 -22.736 16.799 11.248 1.00 0.00 H ATOM 59 HZ3 LYS A 7 -22.124 18.378 11.116 1.00 0.00 H ATOM 60 H LYS A 7 -20.214 12.089 5.352 1.00 0.00 H ATOM 61 N LEU A 8 -19.493 12.487 9.505 1.00 33.11 N ATOM 62 CA LEU A 8 -19.844 11.733 10.707 1.00 31.58 C ATOM 63 C LEU A 8 -21.053 12.400 11.369 1.00 35.81 C ATOM 64 O LEU A 8 -20.953 13.481 11.940 1.00 38.93 O ATOM 65 CB LEU A 8 -18.655 11.650 11.664 1.00 31.75 C ATOM 66 CG LEU A 8 -18.935 11.024 13.028 1.00 29.73 C ATOM 67 CD1 LEU A 8 -19.445 9.596 12.882 1.00 36.41 C ATOM 68 CD2 LEU A 8 -17.668 11.073 13.914 1.00 29.68 C ATOM 69 H LEU A 8 -18.873 13.318 9.588 1.00 0.00 H ATOM 70 N LYS A 9 -22.203 11.753 11.269 1.00 32.68 N ATOM 71 CA LYS A 9 -23.436 12.279 11.838 1.00 28.91 C ATOM 72 C LYS A 9 -23.638 11.904 13.299 1.00 34.13 C ATOM 73 O LYS A 9 -23.233 10.844 13.769 1.00 29.49 O ATOM 74 CB LYS A 9 -24.641 11.800 11.022 1.00 37.59 C ATOM 75 CG LYS A 9 -24.451 11.947 9.535 1.00 42.82 C ATOM 76 CD LYS A 9 -25.581 11.299 8.766 1.00 52.95 C ATOM 77 CE LYS A 9 -25.182 11.135 7.297 1.00 58.70 C ATOM 78 NZ LYS A 9 -24.523 12.371 6.775 1.00 69.24 N ATOM 79 HZ1 LYS A 9 -25.181 13.173 6.853 1.00 0.00 H ATOM 80 HZ2 LYS A 9 -23.667 12.568 7.332 1.00 0.00 H ATOM 81 HZ3 LYS A 9 -24.264 12.230 5.778 1.00 0.00 H ATOM 82 H LYS A 9 -22.227 10.841 10.769 1.00 0.00 H ATOM 83 N GLN A 10 -24.294 12.785 14.028 1.00 29.18 N ATOM 84 CA GLN A 10 -24.552 12.551 15.434 1.00 29.89 C ATOM 85 C GLN A 10 -25.293 11.215 15.683 1.00 31.95 C ATOM 86 O GLN A 10 -25.027 10.493 16.637 1.00 28.71 O ATOM 87 CB GLN A 10 -25.350 13.726 16.000 1.00 39.59 C ATOM 88 CG GLN A 10 -25.419 13.761 17.511 1.00 47.11 C ATOM 89 CD GLN A 10 -24.037 13.767 18.188 1.00 47.12 C ATOM 90 OE1 GLN A 10 -23.180 14.611 17.888 1.00 47.17 O ATOM 91 NE2 GLN A 10 -23.818 12.813 19.101 1.00 44.70 N ATOM 92 HE22 GLN A 10 -24.565 12.124 19.323 1.00 0.00 H ATOM 93 HE21 GLN A 10 -22.901 12.761 19.589 1.00 0.00 H ATOM 94 H GLN A 10 -24.632 13.663 13.586 1.00 0.00 H ATOM 95 N ASP A 11 -26.222 10.876 14.805 1.00 31.53 N ATOM 96 CA ASP A 11 -26.972 9.653 14.907 1.00 33.22 C ATOM 97 C ASP A 11 -26.029 8.442 14.994 1.00 28.46 C ATOM 98 O ASP A 11 -26.219 7.510 15.773 1.00 27.08 O ATOM 99 CB ASP A 11 -27.885 9.580 13.690 1.00 30.56 C ATOM 100 CG ASP A 11 -28.802 8.418 13.732 1.00 30.47 C ATOM 101 OD1 ASP A 11 -29.691 8.381 14.605 1.00 32.25 O ATOM 102 OD2 ASP A 11 -28.630 7.550 12.869 1.00 28.52 O ATOM 103 H ASP A 11 -26.418 11.518 14.011 1.00 0.00 H ATOM 104 N THR A 12 -25.003 8.479 14.151 1.00 29.05 N ATOM 105 CA THR A 12 -24.028 7.398 14.090 1.00 25.22 C ATOM 106 C THR A 12 -23.246 7.327 15.393 1.00 23.45 C ATOM 107 O THR A 12 -23.065 6.258 15.999 1.00 24.74 O ATOM 108 CB THR A 12 -23.108 7.607 12.915 1.00 25.63 C ATOM 109 OG1 THR A 12 -23.894 7.599 11.719 1.00 30.78 O ATOM 110 CG2 THR A 12 -22.066 6.516 12.808 1.00 34.07 C ATOM 111 HG1 THR A 12 -23.303 7.735 10.936 1.00 0.00 H ATOM 112 H THR A 12 -24.893 9.298 13.520 1.00 0.00 H ATOM 113 N ILE A 13 -22.809 8.485 15.870 1.00 24.56 N ATOM 114 CA ILE A 13 -22.079 8.539 17.136 1.00 26.12 C ATOM 115 C ILE A 13 -22.892 8.008 18.316 1.00 24.42 C ATOM 116 O ILE A 13 -22.380 7.257 19.161 1.00 26.03 O ATOM 117 CB ILE A 13 -21.629 9.964 17.390 1.00 31.08 C ATOM 118 CG1 ILE A 13 -20.594 10.341 16.343 1.00 29.63 C ATOM 119 CG2 ILE A 13 -21.005 10.046 18.750 1.00 35.16 C ATOM 120 CD1 ILE A 13 -20.358 11.788 16.234 1.00 39.11 C ATOM 121 H ILE A 13 -22.987 9.362 15.339 1.00 0.00 H ATOM 122 N ASP A 14 -24.168 8.374 18.359 1.00 25.07 N ATOM 123 CA ASP A 14 -25.055 7.906 19.397 1.00 27.58 C ATOM 124 C ASP A 14 -25.104 6.391 19.403 1.00 22.59 C ATOM 125 O ASP A 14 -24.928 5.774 20.438 1.00 24.80 O ATOM 126 CB ASP A 14 -26.452 8.494 19.212 1.00 28.37 C ATOM 127 CG ASP A 14 -26.474 10.008 19.418 1.00 43.66 C ATOM 128 OD1 ASP A 14 -25.537 10.506 20.078 1.00 35.64 O ATOM 129 OD2 ASP A 14 -27.398 10.692 18.911 1.00 42.13 O ATOM 130 H ASP A 14 -24.537 9.014 17.627 1.00 0.00 H ATOM 131 N ARG A 15 -25.345 5.777 18.246 1.00 25.01 N ATOM 132 CA ARG A 15 -25.370 4.333 18.221 1.00 25.00 C ATOM 133 C ARG A 15 -24.013 3.743 18.615 1.00 23.17 C ATOM 134 O ARG A 15 -23.958 2.735 19.323 1.00 25.23 O ATOM 135 CB ARG A 15 -25.803 3.825 16.847 1.00 24.42 C ATOM 136 CG ARG A 15 -27.279 4.081 16.557 1.00 28.56 C ATOM 137 CD ARG A 15 -27.739 3.495 15.225 1.00 32.11 C ATOM 138 NE ARG A 15 -26.857 3.851 14.120 1.00 31.57 N ATOM 139 CZ ARG A 15 -27.044 4.881 13.303 1.00 33.39 C ATOM 140 NH1 ARG A 15 -28.108 5.645 13.426 1.00 40.50 N ATOM 141 NH2 ARG A 15 -26.172 5.142 12.339 1.00 34.69 N ATOM 142 HE ARG A 15 -26.020 3.255 13.960 1.00 0.00 H ATOM 143 HH12 ARG A 15 -28.247 6.450 12.782 1.00 0.00 H ATOM 144 HH11 ARG A 15 -28.810 5.444 14.167 1.00 0.00 H ATOM 145 HH22 ARG A 15 -26.326 5.951 11.703 1.00 0.00 H ATOM 146 HH21 ARG A 15 -25.334 4.538 12.218 1.00 0.00 H ATOM 147 H ARG A 15 -25.512 6.326 17.378 1.00 0.00 H ATOM 148 N LEU A 16 -22.922 4.309 18.101 1.00 22.51 N ATOM 149 CA LEU A 16 -21.606 3.749 18.415 1.00 22.77 C ATOM 150 C LEU A 16 -21.250 3.846 19.888 1.00 24.86 C ATOM 151 O LEU A 16 -20.669 2.921 20.451 1.00 22.93 O ATOM 152 CB LEU A 16 -20.529 4.420 17.603 1.00 21.66 C ATOM 153 CG LEU A 16 -20.564 4.047 16.140 1.00 22.23 C ATOM 154 CD1 LEU A 16 -19.592 4.877 15.347 1.00 24.10 C ATOM 155 CD2 LEU A 16 -20.195 2.550 15.955 1.00 21.58 C ATOM 156 H LEU A 16 -23.004 5.141 17.482 1.00 0.00 H ATOM 157 N THR A 17 -21.607 4.944 20.545 1.00 22.42 N ATOM 158 CA THR A 17 -21.297 5.008 21.970 1.00 23.38 C ATOM 159 C THR A 17 -22.195 4.116 22.796 1.00 26.25 C ATOM 160 O THR A 17 -21.811 3.708 23.878 1.00 27.53 O ATOM 161 CB THR A 17 -21.391 6.450 22.531 1.00 25.59 C ATOM 162 OG1 THR A 17 -22.656 7.039 22.199 1.00 25.57 O ATOM 163 CG2 THR A 17 -20.290 7.289 21.948 1.00 28.23 C ATOM 164 HG1 THR A 17 -23.385 6.494 22.589 1.00 0.00 H ATOM 165 H THR A 17 -22.089 5.729 20.062 1.00 0.00 H ATOM 166 N THR A 18 -23.388 3.824 22.290 1.00 23.46 N ATOM 167 CA THR A 18 -24.260 2.849 22.904 1.00 25.29 C ATOM 168 C THR A 18 -23.708 1.429 22.774 1.00 27.07 C ATOM 169 O THR A 18 -23.727 0.658 23.740 1.00 28.67 O ATOM 170 CB THR A 18 -25.670 2.924 22.285 1.00 26.59 C ATOM 171 OG1 THR A 18 -26.244 4.178 22.632 1.00 26.36 O ATOM 172 CG2 THR A 18 -26.559 1.799 22.798 1.00 32.34 C ATOM 173 HG1 THR A 18 -25.678 4.908 22.277 1.00 0.00 H ATOM 174 H THR A 18 -23.704 4.311 21.427 1.00 0.00 H ATOM 175 N ASP A 19 -23.174 1.100 21.600 1.00 23.91 N ATOM 176 CA ASP A 19 -22.829 -0.287 21.251 1.00 25.94 C ATOM 177 C ASP A 19 -21.385 -0.709 21.433 1.00 26.33 C ATOM 178 O ASP A 19 -21.101 -1.904 21.414 1.00 29.15 O ATOM 179 CB ASP A 19 -23.172 -0.571 19.798 1.00 28.36 C ATOM 180 CG ASP A 19 -24.659 -0.652 19.563 1.00 34.77 C ATOM 181 OD1 ASP A 19 -25.406 -0.891 20.541 1.00 32.98 O ATOM 182 OD2 ASP A 19 -25.063 -0.460 18.404 1.00 36.01 O ATOM 183 H ASP A 19 -22.994 1.851 20.904 1.00 0.00 H ATOM 184 N THR A 20 -20.482 0.245 21.562 1.00 22.67 N ATOM 185 CA THR A 20 -19.057 -0.063 21.550 1.00 20.50 C ATOM 186 C THR A 20 -18.353 0.383 22.829 1.00 23.75 C ATOM 187 O THR A 20 -18.940 1.007 23.733 1.00 23.89 O ATOM 188 CB THR A 20 -18.315 0.605 20.346 1.00 19.41 C ATOM 189 OG1 THR A 20 -18.097 1.999 20.582 1.00 22.53 O ATOM 190 CG2 THR A 20 -19.071 0.353 19.005 1.00 21.21 C ATOM 191 HG1 THR A 20 -18.969 2.452 20.707 1.00 0.00 H ATOM 192 H THR A 20 -20.792 1.231 21.674 1.00 0.00 H ATOM 193 N TYR A 21 -17.068 0.072 22.866 1.00 20.79 N ATOM 194 CA TYR A 21 -16.218 0.381 23.999 1.00 20.51 C ATOM 195 C TYR A 21 -15.485 1.707 23.805 1.00 21.65 C ATOM 196 O TYR A 21 -14.557 2.007 24.560 1.00 23.91 O ATOM 197 CB TYR A 21 -15.199 -0.728 24.206 1.00 20.65 C ATOM 198 CG TYR A 21 -15.785 -2.041 24.674 1.00 21.47 C ATOM 199 CD1 TYR A 21 -16.104 -2.242 26.009 1.00 24.33 C ATOM 200 CD2 TYR A 21 -16.018 -3.069 23.789 1.00 20.61 C ATOM 201 CE1 TYR A 21 -16.647 -3.461 26.453 1.00 27.02 C ATOM 202 CE2 TYR A 21 -16.561 -4.283 24.211 1.00 22.51 C ATOM 203 CZ TYR A 21 -16.900 -4.463 25.541 1.00 25.25 C ATOM 204 OH TYR A 21 -17.414 -5.682 26.009 1.00 26.99 O ATOM 205 HH TYR A 21 -17.593 -5.612 26.980 1.00 0.00 H ATOM 206 H TYR A 21 -16.650 -0.415 22.048 1.00 0.00 H ATOM 207 N PHE A 22 -15.872 2.479 22.793 1.00 20.54 N ATOM 208 CA PHE A 22 -15.193 3.722 22.485 1.00 20.22 C ATOM 209 C PHE A 22 -15.994 4.911 22.982 1.00 22.61 C ATOM 210 O PHE A 22 -17.234 4.952 22.854 1.00 22.87 O ATOM 211 CB PHE A 22 -14.969 3.881 20.982 1.00 20.31 C ATOM 212 CG PHE A 22 -13.999 2.902 20.403 1.00 20.37 C ATOM 213 CD1 PHE A 22 -12.665 2.935 20.752 1.00 27.82 C ATOM 214 CD2 PHE A 22 -14.421 1.964 19.501 1.00 24.21 C ATOM 215 CE1 PHE A 22 -11.767 2.030 20.216 1.00 34.22 C ATOM 216 CE2 PHE A 22 -13.525 1.062 18.937 1.00 23.89 C ATOM 217 CZ PHE A 22 -12.208 1.085 19.308 1.00 29.14 C ATOM 218 H PHE A 22 -16.681 2.184 22.209 1.00 0.00 H ATOM 219 N THR A 23 -15.280 5.923 23.455 1.00 22.91 N ATOM 220 CA THR A 23 -15.909 7.189 23.780 1.00 24.96 C ATOM 221 C THR A 23 -16.208 8.022 22.522 1.00 23.20 C ATOM 222 O THR A 23 -15.651 7.764 21.467 1.00 21.22 O ATOM 223 CB THR A 23 -14.999 8.024 24.693 1.00 24.13 C ATOM 224 OG1 THR A 23 -13.812 8.361 23.974 1.00 24.86 O ATOM 225 CG2 THR A 23 -14.632 7.251 25.956 1.00 25.56 C ATOM 226 HG1 THR A 23 -13.218 8.900 24.554 1.00 0.00 H ATOM 227 H THR A 23 -14.256 5.808 23.595 1.00 0.00 H ATOM 228 N GLU A 24 -17.050 9.045 22.662 1.00 23.36 N ATOM 229 CA GLU A 24 -17.343 9.949 21.559 1.00 20.85 C ATOM 230 C GLU A 24 -16.027 10.588 21.051 1.00 23.23 C ATOM 231 O GLU A 24 -15.765 10.655 19.840 1.00 24.37 O ATOM 232 CB GLU A 24 -18.357 11.016 21.983 1.00 27.67 C ATOM 233 CG GLU A 24 -18.579 12.027 20.875 1.00 34.77 C ATOM 234 CD GLU A 24 -19.817 12.913 21.050 1.00 49.30 C ATOM 235 OE1 GLU A 24 -20.657 12.655 21.943 1.00 53.03 O ATOM 236 OE2 GLU A 24 -19.952 13.865 20.256 1.00 44.20 O ATOM 237 H GLU A 24 -17.509 9.202 23.582 1.00 0.00 H ATOM 238 N LYS A 25 -15.159 10.996 21.972 1.00 23.62 N ATOM 239 CA LYS A 25 -13.865 11.559 21.592 1.00 25.81 C ATOM 240 C LYS A 25 -13.026 10.617 20.725 1.00 25.31 C ATOM 241 O LYS A 25 -12.458 11.016 19.703 1.00 25.39 O ATOM 242 CB LYS A 25 -13.083 11.940 22.858 1.00 30.76 C ATOM 243 CG LYS A 25 -11.757 12.627 22.584 1.00 38.64 C ATOM 244 CD LYS A 25 -11.347 13.496 23.771 1.00 50.29 C ATOM 245 CE LYS A 25 -9.996 13.078 24.341 1.00 60.84 C ATOM 246 NZ LYS A 25 -8.846 13.411 23.449 1.00 63.75 N ATOM 247 HZ1 LYS A 25 -8.964 12.925 22.537 1.00 0.00 H ATOM 248 HZ2 LYS A 25 -8.815 14.439 23.294 1.00 0.00 H ATOM 249 HZ3 LYS A 25 -7.960 13.100 23.897 1.00 0.00 H ATOM 250 H LYS A 25 -15.405 10.913 22.979 1.00 0.00 H ATOM 251 N GLU A 26 -12.947 9.350 21.138 1.00 22.50 N ATOM 252 CA GLU A 26 -12.183 8.355 20.398 1.00 23.77 C ATOM 253 C GLU A 26 -12.797 8.113 19.015 1.00 20.61 C ATOM 254 O GLU A 26 -12.077 7.963 18.023 1.00 24.30 O ATOM 255 CB GLU A 26 -12.120 7.051 21.198 1.00 23.29 C ATOM 256 CG GLU A 26 -11.185 7.116 22.421 1.00 27.03 C ATOM 257 CD GLU A 26 -11.229 5.847 23.251 1.00 28.69 C ATOM 258 OE1 GLU A 26 -12.321 5.272 23.366 1.00 27.41 O ATOM 259 OE2 GLU A 26 -10.179 5.460 23.805 1.00 32.20 O ATOM 260 H GLU A 26 -13.442 9.067 22.008 1.00 0.00 H ATOM 261 N ILE A 27 -14.124 8.054 18.962 1.00 22.75 N ATOM 262 CA ILE A 27 -14.829 7.816 17.708 1.00 22.33 C ATOM 263 C ILE A 27 -14.527 8.941 16.727 1.00 22.46 C ATOM 264 O ILE A 27 -14.198 8.698 15.557 1.00 23.51 O ATOM 265 CB ILE A 27 -16.310 7.662 17.958 1.00 21.22 C ATOM 266 CG1 ILE A 27 -16.559 6.367 18.723 1.00 22.52 C ATOM 267 CG2 ILE A 27 -17.091 7.675 16.658 1.00 21.67 C ATOM 268 CD1 ILE A 27 -17.899 6.300 19.372 1.00 23.90 C ATOM 269 H ILE A 27 -14.673 8.181 19.836 1.00 0.00 H ATOM 270 N ARG A 28 -14.578 10.173 17.224 1.00 22.59 N ATOM 271 CA ARG A 28 -14.310 11.315 16.344 1.00 20.43 C ATOM 272 C ARG A 28 -12.868 11.292 15.852 1.00 25.06 C ATOM 273 O ARG A 28 -12.589 11.605 14.688 1.00 28.37 O ATOM 274 CB ARG A 28 -14.635 12.619 17.055 1.00 23.01 C ATOM 275 CG ARG A 28 -16.104 12.754 17.366 1.00 25.83 C ATOM 276 CD ARG A 28 -16.482 14.155 17.831 1.00 27.24 C ATOM 277 NE ARG A 28 -17.915 14.251 18.138 1.00 26.88 N ATOM 278 CZ ARG A 28 -18.864 14.393 17.211 1.00 29.06 C ATOM 279 NH1 ARG A 28 -18.533 14.478 15.929 1.00 32.71 N ATOM 280 NH2 ARG A 28 -20.143 14.479 17.559 1.00 38.51 N ATOM 281 HE ARG A 28 -18.207 14.206 19.135 1.00 0.00 H ATOM 282 HH12 ARG A 28 -19.273 14.589 15.207 1.00 0.00 H ATOM 283 HH11 ARG A 28 -17.533 14.434 15.646 1.00 0.00 H ATOM 284 HH22 ARG A 28 -20.874 14.590 16.828 1.00 0.00 H ATOM 285 HH21 ARG A 28 -20.413 14.436 18.562 1.00 0.00 H ATOM 286 H ARG A 28 -14.806 10.325 18.227 1.00 0.00 H ATOM 287 N GLN A 29 -11.933 10.918 16.720 1.00 23.97 N ATOM 288 CA GLN A 29 -10.540 10.779 16.330 1.00 25.04 C ATOM 289 C GLN A 29 -10.378 9.692 15.272 1.00 29.01 C ATOM 290 O GLN A 29 -9.661 9.890 14.291 1.00 31.00 O ATOM 291 CB GLN A 29 -9.665 10.440 17.529 1.00 32.57 C ATOM 292 CG GLN A 29 -9.511 11.557 18.537 1.00 42.02 C ATOM 293 CD GLN A 29 -8.869 11.096 19.859 1.00 50.06 C ATOM 294 OE1 GLN A 29 -8.806 9.897 20.176 1.00 47.59 O ATOM 295 NE2 GLN A 29 -8.397 12.066 20.642 1.00 60.72 N ATOM 296 HE22 GLN A 29 -8.469 13.059 20.341 1.00 0.00 H ATOM 297 HE21 GLN A 29 -7.957 11.830 21.554 1.00 0.00 H ATOM 298 H GLN A 29 -12.206 10.720 17.704 1.00 0.00 H ATOM 299 N TRP A 30 -11.021 8.542 15.479 1.00 24.64 N ATOM 300 CA TRP A 30 -10.928 7.451 14.542 1.00 23.25 C ATOM 301 C TRP A 30 -11.470 7.862 13.174 1.00 28.98 C ATOM 302 O TRP A 30 -10.958 7.453 12.154 1.00 30.25 O ATOM 303 CB TRP A 30 -11.664 6.208 15.059 1.00 25.31 C ATOM 304 CG TRP A 30 -10.744 5.323 15.841 1.00 37.05 C ATOM 305 CD1 TRP A 30 -10.696 5.174 17.200 1.00 35.52 C ATOM 306 CD2 TRP A 30 -9.713 4.482 15.308 1.00 35.35 C ATOM 307 NE1 TRP A 30 -9.697 4.293 17.541 1.00 40.83 N ATOM 308 CE2 TRP A 30 -9.087 3.855 16.404 1.00 34.90 C ATOM 309 CE3 TRP A 30 -9.263 4.207 14.016 1.00 40.63 C ATOM 310 CZ2 TRP A 30 -8.026 2.958 16.233 1.00 47.41 C ATOM 311 CZ3 TRP A 30 -8.216 3.312 13.857 1.00 50.64 C ATOM 312 CH2 TRP A 30 -7.613 2.700 14.957 1.00 49.83 C ATOM 313 HE1 TRP A 30 -9.447 4.007 18.509 1.00 0.00 H ATOM 314 H TRP A 30 -11.602 8.430 16.335 1.00 0.00 H ATOM 315 N HIS A 31 -12.500 8.685 13.161 1.00 24.08 N ATOM 316 CA HIS A 31 -13.091 9.069 11.904 1.00 26.60 C ATOM 317 C HIS A 31 -12.124 9.894 11.076 1.00 30.99 C ATOM 318 O HIS A 31 -12.068 9.749 9.843 1.00 27.99 O ATOM 319 CB HIS A 31 -14.350 9.831 12.153 1.00 26.28 C ATOM 320 CG HIS A 31 -15.158 10.046 10.916 1.00 29.34 C ATOM 321 ND1 HIS A 31 -15.290 11.286 10.319 1.00 30.68 N ATOM 322 CD2 HIS A 31 -15.873 9.185 10.165 1.00 28.87 C ATOM 323 CE1 HIS A 31 -16.060 11.170 9.256 1.00 30.03 C ATOM 324 NE2 HIS A 31 -16.422 9.898 9.131 1.00 29.71 N ATOM 325 H HIS A 31 -12.884 9.055 14.054 1.00 0.00 H ATOM 326 N LYS A 32 -11.378 10.776 11.731 1.00 29.19 N ATOM 327 CA LYS A 32 -10.360 11.553 11.021 1.00 32.22 C ATOM 328 C LYS A 32 -9.381 10.632 10.315 1.00 35.42 C ATOM 329 O LYS A 32 -9.019 10.855 9.151 1.00 36.86 O ATOM 330 CB LYS A 32 -9.602 12.480 11.983 1.00 35.89 C ATOM 331 CG LYS A 32 -10.363 13.727 12.385 1.00 44.44 C ATOM 332 CD LYS A 32 -9.416 14.904 12.688 1.00 52.80 C ATOM 333 CE LYS A 32 -9.449 15.314 14.155 1.00 61.00 C ATOM 334 NZ LYS A 32 -10.801 15.812 14.559 1.00 65.76 N ATOM 335 HZ1 LYS A 32 -11.051 16.640 13.981 1.00 0.00 H ATOM 336 HZ2 LYS A 32 -11.504 15.060 14.412 1.00 0.00 H ATOM 337 HZ3 LYS A 32 -10.784 16.081 15.563 1.00 0.00 H ATOM 338 H LYS A 32 -11.517 10.915 12.752 1.00 0.00 H ATOM 339 N GLY A 33 -8.967 9.583 11.011 1.00 33.43 N ATOM 340 CA GLY A 33 -8.026 8.622 10.473 1.00 34.55 C ATOM 341 C GLY A 33 -8.634 7.758 9.385 1.00 39.99 C ATOM 342 O GLY A 33 -7.976 7.431 8.397 1.00 44.04 O ATOM 343 H GLY A 33 -9.330 9.445 11.976 1.00 0.00 H ATOM 344 N PHE A 34 -9.891 7.377 9.578 1.00 30.18 N ATOM 345 CA PHE A 34 -10.615 6.607 8.571 1.00 31.74 C ATOM 346 C PHE A 34 -10.686 7.390 7.263 1.00 31.21 C ATOM 347 O PHE A 34 -10.475 6.826 6.189 1.00 33.32 O ATOM 348 CB PHE A 34 -12.021 6.293 9.065 1.00 29.33 C ATOM 349 CG PHE A 34 -12.781 5.335 8.208 1.00 27.53 C ATOM 350 CD1 PHE A 34 -12.486 3.991 8.221 1.00 28.44 C ATOM 351 CD2 PHE A 34 -13.831 5.774 7.432 1.00 27.20 C ATOM 352 CE1 PHE A 34 -13.202 3.102 7.450 1.00 27.89 C ATOM 353 CE2 PHE A 34 -14.558 4.894 6.657 1.00 31.06 C ATOM 354 CZ PHE A 34 -14.248 3.548 6.673 1.00 27.69 C ATOM 355 H PHE A 34 -10.370 7.632 10.465 1.00 0.00 H ATOM 356 N LEU A 35 -11.003 8.673 7.341 1.00 29.34 N ATOM 357 CA LEU A 35 -11.178 9.436 6.106 1.00 35.86 C ATOM 358 C LEU A 35 -9.853 9.700 5.418 1.00 41.96 C ATOM 359 O LEU A 35 -9.802 9.875 4.195 1.00 37.09 O ATOM 360 CB LEU A 35 -11.879 10.753 6.368 1.00 30.62 C ATOM 361 CG LEU A 35 -13.363 10.695 6.671 1.00 31.34 C ATOM 362 CD1 LEU A 35 -13.939 12.098 6.778 1.00 40.78 C ATOM 363 CD2 LEU A 35 -14.128 9.890 5.638 1.00 41.93 C ATOM 364 H LEU A 35 -11.126 9.131 8.267 1.00 0.00 H ATOM 365 N LYS A 36 -8.774 9.752 6.181 1.00 44.14 N ATOM 366 CA LYS A 36 -7.477 9.935 5.554 1.00 47.47 C ATOM 367 C LYS A 36 -7.165 8.739 4.668 1.00 52.72 C ATOM 368 O LYS A 36 -6.729 8.910 3.532 1.00 54.42 O ATOM 369 CB LYS A 36 -6.369 10.137 6.588 1.00 44.39 C ATOM 370 CG LYS A 36 -6.354 11.527 7.200 1.00 51.51 C ATOM 371 CD LYS A 36 -4.942 11.943 7.618 1.00 59.63 C ATOM 372 CE LYS A 36 -4.965 13.097 8.618 1.00 61.79 C ATOM 373 NZ LYS A 36 -6.009 14.131 8.303 1.00 67.15 N ATOM 374 HZ1 LYS A 36 -5.824 14.533 7.362 1.00 0.00 H ATOM 375 HZ2 LYS A 36 -6.949 13.687 8.313 1.00 0.00 H ATOM 376 HZ3 LYS A 36 -5.974 14.886 9.017 1.00 0.00 H ATOM 377 H LYS A 36 -8.853 9.663 7.214 1.00 0.00 H ATOM 378 N ASP A 37 -7.397 7.533 5.176 1.00 40.73 N ATOM 379 CA ASP A 37 -7.180 6.326 4.397 1.00 40.54 C ATOM 380 C ASP A 37 -8.312 6.089 3.373 1.00 42.85 C ATOM 381 O ASP A 37 -8.144 5.347 2.411 1.00 44.09 O ATOM 382 CB ASP A 37 -7.072 5.099 5.317 1.00 50.04 C ATOM 383 CG ASP A 37 -5.764 5.053 6.128 1.00 63.89 C ATOM 384 OD1 ASP A 37 -4.865 5.898 5.911 1.00 65.90 O ATOM 385 OD2 ASP A 37 -5.636 4.142 6.984 1.00 58.32 O ATOM 386 H ASP A 37 -7.742 7.451 6.154 1.00 0.00 H ATOM 387 N CYS A 38 -9.455 6.733 3.581 1.00 32.53 N ATOM 388 CA CYS A 38 -10.666 6.432 2.811 1.00 34.97 C ATOM 389 C CYS A 38 -11.528 7.672 2.657 1.00 29.54 C ATOM 390 O CYS A 38 -12.563 7.805 3.324 1.00 29.88 O ATOM 391 CB CYS A 38 -11.482 5.332 3.495 1.00 34.37 C ATOM 392 SG CYS A 38 -10.588 3.811 3.730 1.00 37.50 S ATOM 393 H CYS A 38 -9.492 7.472 4.311 1.00 0.00 H ATOM 394 N PRO A 39 -11.128 8.597 1.761 1.00 31.54 N ATOM 395 CA PRO A 39 -11.823 9.882 1.675 1.00 31.13 C ATOM 396 C PRO A 39 -13.323 9.785 1.392 1.00 29.60 C ATOM 397 O PRO A 39 -14.094 10.646 1.839 1.00 31.03 O ATOM 398 CB PRO A 39 -11.095 10.579 0.514 1.00 30.76 C ATOM 399 CG PRO A 39 -9.779 9.986 0.495 1.00 34.85 C ATOM 400 CD PRO A 39 -9.953 8.561 0.878 1.00 33.57 C ATOM 401 N ASN A 40 -13.723 8.745 0.660 1.00 26.24 N ATOM 402 CA ASN A 40 -15.124 8.483 0.355 1.00 27.48 C ATOM 403 C ASN A 40 -15.964 8.048 1.517 1.00 28.97 C ATOM 404 O ASN A 40 -17.187 8.052 1.424 1.00 30.81 O ATOM 405 CB ASN A 40 -15.249 7.387 -0.694 1.00 34.58 C ATOM 406 CG ASN A 40 -15.077 7.912 -2.055 1.00 40.51 C ATOM 407 OD1 ASN A 40 -15.157 9.123 -2.267 1.00 34.60 O ATOM 408 ND2 ASN A 40 -14.829 7.022 -3.002 1.00 32.86 N ATOM 409 HD22 ASN A 40 -14.773 6.011 -2.764 1.00 0.00 H ATOM 410 HD21 ASN A 40 -14.690 7.333 -3.985 1.00 0.00 H ATOM 411 H ASN A 40 -13.003 8.092 0.290 1.00 0.00 H ATOM 412 N GLY A 41 -15.313 7.667 2.598 1.00 27.76 N ATOM 413 CA GLY A 41 -16.036 7.129 3.728 1.00 27.30 C ATOM 414 C GLY A 41 -16.444 5.684 3.551 1.00 26.83 C ATOM 415 O GLY A 41 -17.207 5.159 4.342 1.00 31.10 O ATOM 416 H GLY A 41 -14.277 7.754 2.638 1.00 0.00 H ATOM 417 N LEU A 42 -15.995 5.061 2.467 1.00 28.84 N ATOM 418 CA LEU A 42 -16.379 3.678 2.190 1.00 35.43 C ATOM 419 C LEU A 42 -15.136 2.917 1.828 1.00 38.13 C ATOM 420 O LEU A 42 -14.415 3.305 0.912 1.00 42.05 O ATOM 421 CB LEU A 42 -17.395 3.582 1.034 1.00 34.40 C ATOM 422 CG LEU A 42 -18.830 4.088 1.257 1.00 46.65 C ATOM 423 CD1 LEU A 42 -19.613 4.022 -0.051 1.00 59.27 C ATOM 424 CD2 LEU A 42 -19.595 3.342 2.341 1.00 46.35 C ATOM 425 H LEU A 42 -15.364 5.562 1.809 1.00 0.00 H ATOM 426 N LEU A 43 -14.884 1.822 2.528 1.00 30.82 N ATOM 427 CA LEU A 43 -13.713 1.031 2.256 1.00 24.25 C ATOM 428 C LEU A 43 -14.148 -0.199 1.431 1.00 23.33 C ATOM 429 O LEU A 43 -15.002 -0.975 1.867 1.00 24.75 O ATOM 430 CB LEU A 43 -13.011 0.629 3.559 1.00 28.78 C ATOM 431 CG LEU A 43 -11.704 -0.134 3.419 1.00 35.44 C ATOM 432 CD1 LEU A 43 -10.689 0.501 2.439 1.00 34.83 C ATOM 433 CD2 LEU A 43 -11.127 -0.237 4.817 1.00 44.42 C ATOM 434 H LEU A 43 -15.539 1.531 3.282 1.00 0.00 H ATOM 435 N THR A 44 -13.608 -0.294 0.216 1.00 27.02 N ATOM 436 CA THR A 44 -13.862 -1.408 -0.697 1.00 25.93 C ATOM 437 C THR A 44 -13.046 -2.636 -0.287 1.00 25.33 C ATOM 438 O THR A 44 -12.048 -2.511 0.427 1.00 24.13 O ATOM 439 CB THR A 44 -13.506 -1.054 -2.212 1.00 27.39 C ATOM 440 OG1 THR A 44 -12.093 -0.748 -2.346 1.00 30.87 O ATOM 441 CG2 THR A 44 -14.344 0.133 -2.708 1.00 29.19 C ATOM 442 HG1 THR A 44 -11.869 0.028 -1.773 1.00 0.00 H ATOM 443 H THR A 44 -12.971 0.465 -0.100 1.00 0.00 H ATOM 444 N GLU A 45 -13.443 -3.808 -0.775 1.00 25.18 N ATOM 445 CA GLU A 45 -12.698 -5.039 -0.523 1.00 24.70 C ATOM 446 C GLU A 45 -11.258 -4.922 -1.026 1.00 24.48 C ATOM 447 O GLU A 45 -10.314 -5.258 -0.308 1.00 22.40 O ATOM 448 CB GLU A 45 -13.382 -6.257 -1.150 1.00 26.05 C ATOM 449 CG GLU A 45 -12.674 -7.550 -0.816 1.00 25.93 C ATOM 450 CD GLU A 45 -13.417 -8.800 -1.307 1.00 33.71 C ATOM 451 OE1 GLU A 45 -14.642 -8.697 -1.564 1.00 37.95 O ATOM 452 OE2 GLU A 45 -12.777 -9.882 -1.439 1.00 37.96 O ATOM 453 H GLU A 45 -14.307 -3.849 -1.352 1.00 0.00 H ATOM 454 N GLN A 46 -11.064 -4.422 -2.249 1.00 27.21 N ATOM 455 CA GLN A 46 -9.698 -4.334 -2.749 1.00 21.82 C ATOM 456 C GLN A 46 -8.898 -3.300 -1.938 1.00 24.76 C ATOM 457 O GLN A 46 -7.699 -3.506 -1.680 1.00 27.92 O ATOM 458 CB GLN A 46 -9.660 -4.002 -4.250 1.00 22.22 C ATOM 459 CG GLN A 46 -8.242 -4.185 -4.817 1.00 23.67 C ATOM 460 CD GLN A 46 -7.749 -5.609 -4.736 1.00 28.75 C ATOM 461 OE1 GLN A 46 -8.545 -6.543 -4.729 1.00 29.78 O ATOM 462 NE2 GLN A 46 -6.437 -5.783 -4.644 1.00 35.91 N ATOM 463 HE22 GLN A 46 -5.801 -4.960 -4.654 1.00 0.00 H ATOM 464 HE21 GLN A 46 -6.044 -6.742 -4.562 1.00 0.00 H ATOM 465 H GLN A 46 -11.866 -4.104 -2.829 1.00 0.00 H ATOM 466 N GLY A 47 -9.562 -2.242 -1.480 1.00 24.06 N ATOM 467 CA GLY A 47 -8.920 -1.231 -0.657 1.00 25.59 C ATOM 468 C GLY A 47 -8.483 -1.869 0.653 1.00 30.12 C ATOM 469 O GLY A 47 -7.402 -1.596 1.176 1.00 27.99 O ATOM 470 H GLY A 47 -10.569 -2.136 -1.718 1.00 0.00 H ATOM 471 N PHE A 48 -9.334 -2.743 1.177 1.00 26.15 N ATOM 472 CA PHE A 48 -9.037 -3.473 2.418 1.00 28.48 C ATOM 473 C PHE A 48 -7.830 -4.408 2.220 1.00 25.29 C ATOM 474 O PHE A 48 -6.925 -4.447 3.063 1.00 30.75 O ATOM 475 CB PHE A 48 -10.299 -4.244 2.837 1.00 24.44 C ATOM 476 CG PHE A 48 -10.323 -4.722 4.263 1.00 26.03 C ATOM 477 CD1 PHE A 48 -10.581 -3.839 5.304 1.00 28.66 C ATOM 478 CD2 PHE A 48 -10.207 -6.053 4.532 1.00 25.55 C ATOM 479 CE1 PHE A 48 -10.652 -4.273 6.600 1.00 30.38 C ATOM 480 CE2 PHE A 48 -10.276 -6.510 5.854 1.00 28.96 C ATOM 481 CZ PHE A 48 -10.511 -5.603 6.873 1.00 27.45 C ATOM 482 H PHE A 48 -10.239 -2.917 0.695 1.00 0.00 H ATOM 483 N ILE A 49 -7.795 -5.145 1.105 1.00 23.39 N ATOM 484 CA ILE A 49 -6.680 -6.001 0.741 1.00 24.06 C ATOM 485 C ILE A 49 -5.385 -5.199 0.641 1.00 27.51 C ATOM 486 O ILE A 49 -4.338 -5.645 1.129 1.00 31.97 O ATOM 487 CB ILE A 49 -6.958 -6.746 -0.597 1.00 29.15 C ATOM 488 CG1 ILE A 49 -8.056 -7.795 -0.416 1.00 26.47 C ATOM 489 CG2 ILE A 49 -5.699 -7.437 -1.137 1.00 33.55 C ATOM 490 CD1 ILE A 49 -8.591 -8.383 -1.710 1.00 28.25 C ATOM 491 H ILE A 49 -8.612 -5.103 0.463 1.00 0.00 H ATOM 492 N LYS A 50 -5.445 -4.038 -0.017 1.00 29.08 N ATOM 493 CA LYS A 50 -4.258 -3.199 -0.139 1.00 35.86 C ATOM 494 C LYS A 50 -3.687 -2.844 1.235 1.00 35.02 C ATOM 495 O LYS A 50 -2.470 -2.823 1.434 1.00 36.21 O ATOM 496 CB LYS A 50 -4.594 -1.935 -0.929 1.00 33.05 C ATOM 497 CG LYS A 50 -4.891 -2.249 -2.382 1.00 34.88 C ATOM 498 CD LYS A 50 -5.215 -1.007 -3.165 1.00 36.18 C ATOM 499 CE LYS A 50 -5.637 -1.352 -4.587 1.00 37.55 C ATOM 500 NZ LYS A 50 -5.939 -0.107 -5.335 1.00 39.68 N ATOM 501 HZ1 LYS A 50 -6.711 0.403 -4.860 1.00 0.00 H ATOM 502 HZ2 LYS A 50 -5.091 0.494 -5.363 1.00 0.00 H ATOM 503 HZ3 LYS A 50 -6.227 -0.348 -6.305 1.00 0.00 H ATOM 504 H LYS A 50 -6.342 -3.731 -0.444 1.00 0.00 H ATOM 505 N ILE A 51 -4.563 -2.584 2.196 1.00 30.67 N ATOM 506 CA ILE A 51 -4.117 -2.252 3.556 1.00 34.86 C ATOM 507 C ILE A 51 -3.377 -3.416 4.189 1.00 37.99 C ATOM 508 O ILE A 51 -2.363 -3.225 4.848 1.00 42.55 O ATOM 509 CB ILE A 51 -5.295 -1.802 4.420 1.00 33.41 C ATOM 510 CG1 ILE A 51 -5.770 -0.437 3.945 1.00 36.86 C ATOM 511 CG2 ILE A 51 -4.889 -1.708 5.901 1.00 39.26 C ATOM 512 CD1 ILE A 51 -7.118 -0.031 4.450 1.00 42.59 C ATOM 513 H ILE A 51 -5.581 -2.616 1.984 1.00 0.00 H ATOM 514 N TYR A 52 -3.873 -4.627 3.995 1.00 30.01 N ATOM 515 CA TYR A 52 -3.169 -5.797 4.462 1.00 35.66 C ATOM 516 C TYR A 52 -1.857 -6.040 3.701 1.00 41.71 C ATOM 517 O TYR A 52 -0.903 -6.560 4.275 1.00 39.65 O ATOM 518 CB TYR A 52 -4.083 -7.018 4.359 1.00 32.25 C ATOM 519 CG TYR A 52 -4.935 -7.248 5.601 1.00 27.74 C ATOM 520 CD1 TYR A 52 -6.137 -6.586 5.781 1.00 34.85 C ATOM 521 CD2 TYR A 52 -4.541 -8.170 6.561 1.00 36.82 C ATOM 522 CE1 TYR A 52 -6.918 -6.810 6.898 1.00 38.25 C ATOM 523 CE2 TYR A 52 -5.311 -8.396 7.681 1.00 33.58 C ATOM 524 CZ TYR A 52 -6.494 -7.712 7.844 1.00 36.24 C ATOM 525 OH TYR A 52 -7.265 -7.948 8.959 1.00 41.45 O ATOM 526 HH TYR A 52 -8.076 -7.381 8.924 1.00 0.00 H ATOM 527 H TYR A 52 -4.781 -4.737 3.500 1.00 0.00 H ATOM 528 N LYS A 53 -1.782 -5.670 2.421 1.00 33.50 N ATOM 529 CA LYS A 53 -0.552 -5.922 1.684 1.00 38.37 C ATOM 530 C LYS A 53 0.558 -5.022 2.237 1.00 36.19 C ATOM 531 O LYS A 53 1.741 -5.389 2.187 1.00 47.98 O ATOM 532 CB LYS A 53 -0.765 -5.719 0.182 1.00 42.86 C ATOM 533 CG LYS A 53 -1.444 -6.917 -0.488 1.00 42.99 C ATOM 534 CD LYS A 53 -1.480 -6.775 -2.002 1.00 51.41 C ATOM 535 CE LYS A 53 -2.244 -7.907 -2.685 1.00 45.57 C ATOM 536 NZ LYS A 53 -2.290 -7.715 -4.171 1.00 57.96 N ATOM 537 HZ1 LYS A 53 -2.765 -6.816 -4.389 1.00 0.00 H ATOM 538 HZ2 LYS A 53 -1.321 -7.696 -4.547 1.00 0.00 H ATOM 539 HZ3 LYS A 53 -2.816 -8.501 -4.605 1.00 0.00 H ATOM 540 H LYS A 53 -2.590 -5.208 1.957 1.00 0.00 H ATOM 541 N GLN A 54 0.182 -3.893 2.821 1.00 40.24 N ATOM 542 CA GLN A 54 1.168 -3.020 3.446 1.00 40.02 C ATOM 543 C GLN A 54 1.802 -3.647 4.682 1.00 55.57 C ATOM 544 O GLN A 54 2.867 -3.213 5.109 1.00 57.52 O ATOM 545 CB GLN A 54 0.546 -1.682 3.834 1.00 48.56 C ATOM 546 CG GLN A 54 0.190 -0.804 2.662 1.00 54.14 C ATOM 547 CD GLN A 54 -0.100 0.633 3.088 1.00 59.06 C ATOM 548 OE1 GLN A 54 0.071 0.997 4.254 1.00 62.50 O ATOM 549 NE2 GLN A 54 -0.533 1.457 2.137 1.00 66.68 N ATOM 550 HE22 GLN A 54 -0.663 1.108 1.166 1.00 0.00 H ATOM 551 HE21 GLN A 54 -0.741 2.450 2.365 1.00 0.00 H ATOM 552 H GLN A 54 -0.824 -3.628 2.833 1.00 0.00 H ATOM 553 N PHE A 55 1.158 -4.664 5.249 1.00 48.50 N ATOM 554 CA PHE A 55 1.592 -5.233 6.530 1.00 52.65 C ATOM 555 C PHE A 55 2.240 -6.602 6.403 1.00 55.74 C ATOM 556 O PHE A 55 2.925 -7.059 7.316 1.00 59.81 O ATOM 557 CB PHE A 55 0.413 -5.353 7.490 1.00 56.13 C ATOM 558 CG PHE A 55 -0.007 -4.050 8.093 1.00 53.27 C ATOM 559 CD1 PHE A 55 -0.136 -2.920 7.307 1.00 53.47 C ATOM 560 CD2 PHE A 55 -0.269 -3.954 9.452 1.00 57.02 C ATOM 561 CE1 PHE A 55 -0.523 -1.710 7.859 1.00 62.76 C ATOM 562 CE2 PHE A 55 -0.650 -2.750 10.018 1.00 63.03 C ATOM 563 CZ PHE A 55 -0.781 -1.625 9.223 1.00 70.83 C ATOM 564 H PHE A 55 0.326 -5.066 4.772 1.00 0.00 H ATOM 565 N PHE A 56 2.014 -7.259 5.274 1.00 49.84 N ATOM 566 CA PHE A 56 2.553 -8.590 5.041 1.00 54.91 C ATOM 567 C PHE A 56 3.078 -8.671 3.629 1.00 55.03 C ATOM 568 O PHE A 56 2.587 -9.462 2.823 1.00 66.65 O ATOM 569 CB PHE A 56 1.492 -9.667 5.237 1.00 56.93 C ATOM 570 CG PHE A 56 0.750 -9.574 6.535 1.00 55.29 C ATOM 571 CD1 PHE A 56 -0.377 -8.785 6.644 1.00 52.55 C ATOM 572 CD2 PHE A 56 1.163 -10.301 7.636 1.00 53.73 C ATOM 573 CE1 PHE A 56 -1.073 -8.711 7.826 1.00 57.35 C ATOM 574 CE2 PHE A 56 0.471 -10.237 8.824 1.00 57.73 C ATOM 575 CZ PHE A 56 -0.649 -9.441 8.924 1.00 56.88 C ATOM 576 H PHE A 56 1.436 -6.811 4.535 1.00 0.00 H ATOM 577 N PRO A 57 4.086 -7.852 3.317 1.00 62.50 N ATOM 578 CA PRO A 57 4.536 -7.729 1.930 1.00 53.13 C ATOM 579 C PRO A 57 5.094 -9.038 1.367 1.00 62.54 C ATOM 580 O PRO A 57 5.132 -9.198 0.140 1.00 66.94 O ATOM 581 CB PRO A 57 5.634 -6.654 2.009 1.00 59.68 C ATOM 582 CG PRO A 57 5.455 -5.992 3.356 1.00 62.09 C ATOM 583 CD PRO A 57 4.933 -7.082 4.239 1.00 58.23 C ATOM 584 N ASP A 58 5.510 -9.950 2.249 1.00 67.29 N ATOM 585 CA ASP A 58 6.100 -11.225 1.830 1.00 67.95 C ATOM 586 C ASP A 58 5.075 -12.150 1.165 1.00 67.99 C ATOM 587 O ASP A 58 5.289 -12.620 0.045 1.00 71.80 O ATOM 588 CB ASP A 58 6.763 -11.938 3.031 1.00 63.75 C ATOM 589 CG ASP A 58 5.811 -12.155 4.207 1.00 72.73 C ATOM 590 OD1 ASP A 58 4.713 -11.549 4.218 1.00 73.51 O ATOM 591 OD2 ASP A 58 6.178 -12.927 5.131 1.00 75.26 O ATOM 592 H ASP A 58 5.412 -9.750 3.265 1.00 0.00 H ATOM 593 N GLY A 59 3.962 -12.409 1.846 1.00 67.28 N ATOM 594 CA GLY A 59 2.974 -13.342 1.339 1.00 58.26 C ATOM 595 C GLY A 59 1.881 -12.674 0.525 1.00 55.48 C ATOM 596 O GLY A 59 2.055 -11.564 0.005 1.00 53.09 O ATOM 597 H GLY A 59 3.798 -11.935 2.757 1.00 0.00 H ATOM 598 N ASP A 60 0.758 -13.377 0.391 1.00 46.23 N ATOM 599 CA ASP A 60 -0.418 -12.844 -0.281 1.00 41.26 C ATOM 600 C ASP A 60 -1.585 -12.807 0.717 1.00 39.74 C ATOM 601 O ASP A 60 -2.296 -13.809 0.856 1.00 38.53 O ATOM 602 CB ASP A 60 -0.793 -13.694 -1.500 1.00 41.39 C ATOM 603 CG ASP A 60 -1.824 -13.014 -2.391 1.00 47.21 C ATOM 604 OD1 ASP A 60 -2.462 -12.033 -1.941 1.00 48.48 O ATOM 605 OD2 ASP A 60 -1.990 -13.458 -3.544 1.00 56.57 O ATOM 606 H ASP A 60 0.720 -14.341 0.780 1.00 0.00 H ATOM 607 N PRO A 61 -1.790 -11.659 1.394 1.00 45.40 N ATOM 608 CA PRO A 61 -2.883 -11.548 2.363 1.00 36.49 C ATOM 609 C PRO A 61 -4.260 -11.413 1.721 1.00 38.74 C ATOM 610 O PRO A 61 -5.223 -11.226 2.467 1.00 35.83 O ATOM 611 CB PRO A 61 -2.551 -10.273 3.136 1.00 40.79 C ATOM 612 CG PRO A 61 -1.400 -9.616 2.414 1.00 46.80 C ATOM 613 CD PRO A 61 -1.179 -10.345 1.139 1.00 47.56 C ATOM 614 N SER A 62 -4.358 -11.484 0.396 1.00 38.66 N ATOM 615 CA SER A 62 -5.640 -11.335 -0.302 1.00 34.95 C ATOM 616 C SER A 62 -6.746 -12.226 0.247 1.00 34.72 C ATOM 617 O SER A 62 -7.824 -11.747 0.598 1.00 33.25 O ATOM 618 CB SER A 62 -5.478 -11.620 -1.793 1.00 40.85 C ATOM 619 OG SER A 62 -4.669 -10.623 -2.388 1.00 44.18 O ATOM 620 HG SER A 62 -3.778 -10.622 -1.956 1.00 0.00 H ATOM 621 H SER A 62 -3.497 -11.651 -0.164 1.00 0.00 H ATOM 622 N LYS A 63 -6.495 -13.520 0.316 1.00 29.23 N ATOM 623 CA LYS A 63 -7.545 -14.432 0.762 1.00 26.36 C ATOM 624 C LYS A 63 -7.991 -14.113 2.189 1.00 26.59 C ATOM 625 O LYS A 63 -9.190 -14.095 2.474 1.00 27.48 O ATOM 626 CB LYS A 63 -7.067 -15.868 0.678 1.00 27.29 C ATOM 627 CG LYS A 63 -8.149 -16.876 0.880 1.00 35.76 C ATOM 628 CD LYS A 63 -7.549 -18.273 0.828 1.00 45.36 C ATOM 629 CE LYS A 63 -8.615 -19.329 0.952 1.00 48.91 C ATOM 630 NZ LYS A 63 -8.040 -20.564 1.520 1.00 42.37 N ATOM 631 HZ1 LYS A 63 -7.284 -20.912 0.896 1.00 0.00 H ATOM 632 HZ2 LYS A 63 -7.648 -20.361 2.462 1.00 0.00 H ATOM 633 HZ3 LYS A 63 -8.784 -21.286 1.601 1.00 0.00 H ATOM 634 H LYS A 63 -5.558 -13.887 0.055 1.00 0.00 H ATOM 635 N PHE A 64 -7.048 -13.876 3.088 1.00 26.10 N ATOM 636 CA PHE A 64 -7.394 -13.655 4.493 1.00 23.99 C ATOM 637 C PHE A 64 -8.131 -12.330 4.629 1.00 29.52 C ATOM 638 O PHE A 64 -9.115 -12.203 5.376 1.00 26.66 O ATOM 639 CB PHE A 64 -6.138 -13.667 5.367 1.00 26.82 C ATOM 640 CG PHE A 64 -6.423 -13.528 6.828 1.00 28.30 C ATOM 641 CD1 PHE A 64 -6.843 -14.611 7.550 1.00 30.16 C ATOM 642 CD2 PHE A 64 -6.308 -12.314 7.468 1.00 30.59 C ATOM 643 CE1 PHE A 64 -7.128 -14.496 8.891 1.00 29.66 C ATOM 644 CE2 PHE A 64 -6.599 -12.197 8.804 1.00 30.81 C ATOM 645 CZ PHE A 64 -7.003 -13.297 9.514 1.00 31.67 C ATOM 646 H PHE A 64 -6.051 -13.847 2.793 1.00 0.00 H ATOM 647 N ALA A 65 -7.673 -11.320 3.898 1.00 26.89 N ATOM 648 CA ALA A 65 -8.308 -10.012 4.002 1.00 23.10 C ATOM 649 C ALA A 65 -9.743 -10.077 3.505 1.00 24.27 C ATOM 650 O ALA A 65 -10.619 -9.397 4.058 1.00 24.34 O ATOM 651 CB ALA A 65 -7.521 -8.949 3.212 1.00 26.14 C ATOM 652 H ALA A 65 -6.867 -11.461 3.256 1.00 0.00 H ATOM 653 N SER A 66 -9.982 -10.862 2.453 1.00 22.77 N ATOM 654 CA SER A 66 -11.326 -11.017 1.900 1.00 23.58 C ATOM 655 C SER A 66 -12.249 -11.696 2.915 1.00 26.41 C ATOM 656 O SER A 66 -13.411 -11.297 3.073 1.00 27.34 O ATOM 657 CB SER A 66 -11.292 -11.812 0.600 1.00 29.04 C ATOM 658 OG SER A 66 -10.749 -11.046 -0.461 1.00 24.10 O ATOM 659 HG SER A 66 -11.304 -10.238 -0.601 1.00 0.00 H ATOM 660 H SER A 66 -9.192 -11.377 2.015 1.00 0.00 H ATOM 661 N LEU A 67 -11.729 -12.711 3.595 1.00 26.93 N ATOM 662 CA LEU A 67 -12.496 -13.388 4.635 1.00 26.61 C ATOM 663 C LEU A 67 -12.823 -12.433 5.783 1.00 25.68 C ATOM 664 O LEU A 67 -13.942 -12.411 6.289 1.00 28.24 O ATOM 665 CB LEU A 67 -11.735 -14.587 5.176 1.00 31.30 C ATOM 666 CG LEU A 67 -11.638 -15.714 4.163 1.00 28.62 C ATOM 667 CD1 LEU A 67 -10.555 -16.675 4.594 1.00 31.88 C ATOM 668 CD2 LEU A 67 -12.958 -16.451 4.005 1.00 30.59 C ATOM 669 H LEU A 67 -10.761 -13.028 3.383 1.00 0.00 H ATOM 670 N VAL A 68 -11.851 -11.644 6.196 1.00 22.10 N ATOM 671 CA VAL A 68 -12.085 -10.659 7.254 1.00 21.90 C ATOM 672 C VAL A 68 -13.070 -9.556 6.802 1.00 22.76 C ATOM 673 O VAL A 68 -13.919 -9.112 7.577 1.00 22.93 O ATOM 674 CB VAL A 68 -10.770 -10.057 7.707 1.00 23.57 C ATOM 675 CG1 VAL A 68 -11.003 -8.919 8.703 1.00 25.16 C ATOM 676 CG2 VAL A 68 -9.878 -11.129 8.308 1.00 29.86 C ATOM 677 H VAL A 68 -10.907 -11.722 5.766 1.00 0.00 H ATOM 678 N PHE A 69 -12.939 -9.110 5.554 1.00 20.56 N ATOM 679 CA PHE A 69 -13.807 -8.095 4.981 1.00 20.11 C ATOM 680 C PHE A 69 -15.248 -8.447 5.146 1.00 23.27 C ATOM 681 O PHE A 69 -16.058 -7.617 5.532 1.00 22.42 O ATOM 682 CB PHE A 69 -13.517 -7.910 3.489 1.00 20.04 C ATOM 683 CG PHE A 69 -14.316 -6.814 2.872 1.00 23.47 C ATOM 684 CD1 PHE A 69 -13.879 -5.507 2.921 1.00 23.26 C ATOM 685 CD2 PHE A 69 -15.526 -7.093 2.250 1.00 21.92 C ATOM 686 CE1 PHE A 69 -14.617 -4.486 2.355 1.00 24.34 C ATOM 687 CE2 PHE A 69 -16.285 -6.074 1.694 1.00 24.17 C ATOM 688 CZ PHE A 69 -15.836 -4.769 1.740 1.00 21.61 C ATOM 689 H PHE A 69 -12.181 -9.506 4.962 1.00 0.00 H ATOM 690 N ARG A 70 -15.593 -9.694 4.838 1.00 24.92 N ATOM 691 CA ARG A 70 -16.984 -10.137 4.925 1.00 24.96 C ATOM 692 C ARG A 70 -17.522 -10.028 6.346 1.00 21.16 C ATOM 693 O ARG A 70 -18.702 -9.795 6.544 1.00 28.21 O ATOM 694 CB ARG A 70 -17.133 -11.580 4.453 1.00 31.61 C ATOM 695 CG ARG A 70 -16.743 -11.803 3.009 1.00 39.21 C ATOM 696 CD ARG A 70 -16.506 -13.290 2.714 1.00 38.54 C ATOM 697 NE ARG A 70 -15.402 -13.468 1.770 1.00 42.28 N ATOM 698 CZ ARG A 70 -15.053 -14.621 1.203 1.00 41.79 C ATOM 699 NH1 ARG A 70 -15.724 -15.738 1.450 1.00 40.16 N ATOM 700 NH2 ARG A 70 -14.024 -14.646 0.367 1.00 40.41 N ATOM 701 HE ARG A 70 -14.845 -12.626 1.522 1.00 0.00 H ATOM 702 HH12 ARG A 70 -15.436 -16.629 0.997 1.00 0.00 H ATOM 703 HH11 ARG A 70 -16.539 -15.723 2.096 1.00 0.00 H ATOM 704 HH22 ARG A 70 -13.741 -15.540 -0.083 1.00 0.00 H ATOM 705 HH21 ARG A 70 -13.500 -13.772 0.161 1.00 0.00 H ATOM 706 H ARG A 70 -14.861 -10.366 4.530 1.00 0.00 H ATOM 707 N VAL A 71 -16.662 -10.202 7.332 1.00 20.97 N ATOM 708 CA VAL A 71 -17.146 -10.078 8.722 1.00 20.92 C ATOM 709 C VAL A 71 -17.315 -8.594 9.081 1.00 21.70 C ATOM 710 O VAL A 71 -18.285 -8.211 9.758 1.00 25.48 O ATOM 711 CB VAL A 71 -16.228 -10.788 9.725 1.00 22.76 C ATOM 712 CG1 VAL A 71 -16.774 -10.711 11.162 1.00 24.06 C ATOM 713 CG2 VAL A 71 -16.046 -12.253 9.326 1.00 24.32 C ATOM 714 H VAL A 71 -15.665 -10.422 7.134 1.00 0.00 H ATOM 715 N PHE A 72 -16.391 -7.739 8.648 1.00 20.58 N ATOM 716 CA PHE A 72 -16.568 -6.291 8.860 1.00 21.20 C ATOM 717 C PHE A 72 -17.835 -5.765 8.187 1.00 23.26 C ATOM 718 O PHE A 72 -18.512 -4.905 8.744 1.00 24.28 O ATOM 719 CB PHE A 72 -15.373 -5.518 8.309 1.00 23.20 C ATOM 720 CG PHE A 72 -14.197 -5.367 9.262 1.00 21.45 C ATOM 721 CD1 PHE A 72 -13.428 -6.456 9.631 1.00 23.57 C ATOM 722 CD2 PHE A 72 -13.838 -4.115 9.724 1.00 22.18 C ATOM 723 CE1 PHE A 72 -12.325 -6.297 10.481 1.00 28.01 C ATOM 724 CE2 PHE A 72 -12.737 -3.943 10.573 1.00 26.35 C ATOM 725 CZ PHE A 72 -11.979 -5.034 10.942 1.00 29.92 C ATOM 726 H PHE A 72 -15.544 -8.093 8.160 1.00 0.00 H ATOM 727 N ASP A 73 -18.106 -6.235 6.971 1.00 23.41 N ATOM 728 CA ASP A 73 -19.224 -5.746 6.167 1.00 21.45 C ATOM 729 C ASP A 73 -20.511 -6.393 6.648 1.00 30.16 C ATOM 730 O ASP A 73 -21.081 -7.248 5.972 1.00 31.71 O ATOM 731 CB ASP A 73 -18.967 -6.034 4.679 1.00 25.21 C ATOM 732 CG ASP A 73 -20.106 -5.591 3.794 1.00 27.52 C ATOM 733 OD1 ASP A 73 -20.902 -4.753 4.234 1.00 28.35 O ATOM 734 OD2 ASP A 73 -20.184 -6.088 2.637 1.00 27.75 O ATOM 735 H ASP A 73 -17.497 -6.981 6.577 1.00 0.00 H ATOM 736 N GLU A 74 -20.976 -5.985 7.820 1.00 26.18 N ATOM 737 CA GLU A 74 -21.996 -6.769 8.504 1.00 33.74 C ATOM 738 C GLU A 74 -23.342 -6.702 7.783 1.00 32.96 C ATOM 739 O GLU A 74 -24.128 -7.632 7.891 1.00 38.89 O ATOM 740 CB GLU A 74 -22.157 -6.304 9.959 1.00 40.59 C ATOM 741 CG GLU A 74 -23.201 -7.136 10.708 1.00 44.74 C ATOM 742 CD GLU A 74 -23.014 -7.125 12.214 1.00 64.09 C ATOM 743 OE1 GLU A 74 -22.475 -6.121 12.741 1.00 63.23 O ATOM 744 OE2 GLU A 74 -23.399 -8.129 12.863 1.00 64.80 O ATOM 745 H GLU A 74 -20.615 -5.109 8.249 1.00 0.00 H ATOM 746 N ASN A 75 -23.600 -5.618 7.052 1.00 32.32 N ATOM 747 CA ASN A 75 -24.859 -5.489 6.297 1.00 33.90 C ATOM 748 C ASN A 75 -24.735 -6.023 4.859 1.00 38.55 C ATOM 749 O ASN A 75 -25.681 -5.959 4.075 1.00 39.57 O ATOM 750 CB ASN A 75 -25.342 -4.040 6.288 1.00 36.49 C ATOM 751 CG ASN A 75 -24.471 -3.122 5.452 1.00 40.19 C ATOM 752 OD1 ASN A 75 -23.539 -3.551 4.777 1.00 35.87 O ATOM 753 ND2 ASN A 75 -24.780 -1.835 5.497 1.00 50.72 N ATOM 754 HD22 ASN A 75 -25.577 -1.512 6.081 1.00 0.00 H ATOM 755 HD21 ASN A 75 -24.225 -1.148 4.948 1.00 0.00 H ATOM 756 H ASN A 75 -22.900 -4.849 7.014 1.00 0.00 H ATOM 757 N ASN A 76 -23.563 -6.552 4.521 1.00 35.40 N ATOM 758 CA ASN A 76 -23.355 -7.234 3.256 1.00 35.29 C ATOM 759 C ASN A 76 -23.646 -6.383 2.044 1.00 30.87 C ATOM 760 O ASN A 76 -24.136 -6.897 1.045 1.00 41.28 O ATOM 761 CB ASN A 76 -24.226 -8.477 3.215 1.00 38.74 C ATOM 762 CG ASN A 76 -23.980 -9.373 4.395 1.00 47.76 C ATOM 763 OD1 ASN A 76 -22.837 -9.727 4.681 1.00 49.86 O ATOM 764 ND2 ASN A 76 -25.040 -9.711 5.125 1.00 53.63 N ATOM 765 HD22 ASN A 76 -25.988 -9.389 4.845 1.00 0.00 H ATOM 766 HD21 ASN A 76 -24.920 -10.297 5.975 1.00 0.00 H ATOM 767 H ASN A 76 -22.767 -6.475 5.186 1.00 0.00 H ATOM 768 N ASP A 77 -23.337 -5.098 2.097 1.00 29.84 N ATOM 769 CA ASP A 77 -23.565 -4.254 0.933 1.00 33.54 C ATOM 770 C ASP A 77 -22.283 -4.048 0.109 1.00 32.34 C ATOM 771 O ASP A 77 -22.279 -3.292 -0.858 1.00 37.46 O ATOM 772 CB ASP A 77 -24.182 -2.906 1.348 1.00 37.41 C ATOM 773 CG ASP A 77 -23.223 -2.006 2.103 1.00 40.71 C ATOM 774 OD1 ASP A 77 -22.088 -2.439 2.417 1.00 30.90 O ATOM 775 OD2 ASP A 77 -23.625 -0.855 2.395 1.00 39.63 O ATOM 776 H ASP A 77 -22.933 -4.693 2.966 1.00 0.00 H ATOM 777 N GLY A 78 -21.210 -4.749 0.478 1.00 28.70 N ATOM 778 CA GLY A 78 -19.975 -4.713 -0.289 1.00 28.25 C ATOM 779 C GLY A 78 -19.019 -3.591 0.019 1.00 32.90 C ATOM 780 O GLY A 78 -18.029 -3.399 -0.678 1.00 33.30 O ATOM 781 H GLY A 78 -21.258 -5.336 1.335 1.00 0.00 H ATOM 782 N ALA A 79 -19.323 -2.816 1.051 1.00 28.99 N ATOM 783 CA ALA A 79 -18.413 -1.797 1.503 1.00 27.22 C ATOM 784 C ALA A 79 -18.383 -1.812 3.018 1.00 22.36 C ATOM 785 O ALA A 79 -19.383 -2.187 3.667 1.00 25.00 O ATOM 786 CB ALA A 79 -18.825 -0.450 1.024 1.00 33.98 C ATOM 787 H ALA A 79 -20.231 -2.946 1.540 1.00 0.00 H ATOM 788 N ILE A 80 -17.239 -1.410 3.557 1.00 25.17 N ATOM 789 CA ILE A 80 -17.107 -1.141 4.999 1.00 22.95 C ATOM 790 C ILE A 80 -17.277 0.332 5.229 1.00 20.12 C ATOM 791 O ILE A 80 -16.436 1.122 4.807 1.00 24.56 O ATOM 792 CB ILE A 80 -15.759 -1.595 5.545 1.00 21.43 C ATOM 793 CG1 ILE A 80 -15.615 -3.109 5.399 1.00 19.04 C ATOM 794 CG2 ILE A 80 -15.620 -1.144 7.033 1.00 23.21 C ATOM 795 CD1 ILE A 80 -14.236 -3.644 5.668 1.00 21.67 C ATOM 796 H ILE A 80 -16.410 -1.281 2.942 1.00 0.00 H ATOM 797 N GLU A 81 -18.381 0.683 5.882 1.00 22.93 N ATOM 798 CA GLU A 81 -18.625 2.060 6.290 1.00 23.27 C ATOM 799 C GLU A 81 -17.986 2.278 7.661 1.00 24.30 C ATOM 800 O GLU A 81 -17.637 1.325 8.367 1.00 24.10 O ATOM 801 CB GLU A 81 -20.131 2.355 6.338 1.00 28.03 C ATOM 802 CG GLU A 81 -20.896 1.557 7.366 1.00 37.49 C ATOM 803 CD GLU A 81 -22.410 1.539 7.141 1.00 61.64 C ATOM 804 OE1 GLU A 81 -22.859 1.939 6.035 1.00 49.03 O ATOM 805 OE2 GLU A 81 -23.144 1.106 8.077 1.00 69.51 O ATOM 806 H GLU A 81 -19.089 -0.045 6.107 1.00 0.00 H ATOM 807 N PHE A 82 -17.861 3.536 8.052 1.00 23.22 N ATOM 808 CA PHE A 82 -17.181 3.844 9.299 1.00 21.91 C ATOM 809 C PHE A 82 -17.797 3.123 10.478 1.00 22.53 C ATOM 810 O PHE A 82 -17.065 2.594 11.319 1.00 23.28 O ATOM 811 CB PHE A 82 -17.185 5.348 9.524 1.00 23.82 C ATOM 812 CG PHE A 82 -16.580 5.750 10.819 1.00 20.98 C ATOM 813 CD1 PHE A 82 -15.223 5.648 10.995 1.00 21.96 C ATOM 814 CD2 PHE A 82 -17.364 6.242 11.837 1.00 24.85 C ATOM 815 CE1 PHE A 82 -14.649 6.032 12.171 1.00 25.15 C ATOM 816 CE2 PHE A 82 -16.796 6.645 13.031 1.00 22.44 C ATOM 817 CZ PHE A 82 -15.430 6.549 13.196 1.00 24.66 C ATOM 818 H PHE A 82 -18.249 4.304 7.467 1.00 0.00 H ATOM 819 N GLU A 83 -19.118 3.062 10.547 1.00 21.78 N ATOM 820 CA GLU A 83 -19.803 2.457 11.684 1.00 24.46 C ATOM 821 C GLU A 83 -19.435 0.962 11.801 1.00 24.16 C ATOM 822 O GLU A 83 -19.195 0.442 12.892 1.00 23.18 O ATOM 823 CB GLU A 83 -21.312 2.627 11.545 1.00 27.65 C ATOM 824 CG GLU A 83 -22.096 2.208 12.773 1.00 38.37 C ATOM 825 CD GLU A 83 -23.572 2.589 12.723 1.00 48.05 C ATOM 826 OE1 GLU A 83 -24.008 3.139 11.690 1.00 43.98 O ATOM 827 OE2 GLU A 83 -24.283 2.343 13.732 1.00 39.65 O ATOM 828 H GLU A 83 -19.683 3.457 9.768 1.00 0.00 H ATOM 829 N GLU A 84 -19.318 0.306 10.664 1.00 23.41 N ATOM 830 CA GLU A 84 -18.936 -1.089 10.621 1.00 22.21 C ATOM 831 C GLU A 84 -17.491 -1.264 11.054 1.00 20.99 C ATOM 832 O GLU A 84 -17.157 -2.214 11.760 1.00 22.39 O ATOM 833 CB GLU A 84 -19.153 -1.641 9.215 1.00 23.62 C ATOM 834 CG GLU A 84 -20.616 -1.849 8.898 1.00 27.09 C ATOM 835 CD GLU A 84 -20.854 -2.196 7.415 1.00 30.22 C ATOM 836 OE1 GLU A 84 -20.041 -1.758 6.569 1.00 26.06 O ATOM 837 OE2 GLU A 84 -21.839 -2.894 7.124 1.00 31.53 O ATOM 838 H GLU A 84 -19.506 0.806 9.771 1.00 0.00 H ATOM 839 N PHE A 85 -16.634 -0.363 10.611 1.00 20.70 N ATOM 840 CA PHE A 85 -15.235 -0.375 10.979 1.00 20.08 C ATOM 841 C PHE A 85 -15.092 -0.281 12.490 1.00 20.65 C ATOM 842 O PHE A 85 -14.409 -1.099 13.117 1.00 22.34 O ATOM 843 CB PHE A 85 -14.527 0.757 10.267 1.00 22.85 C ATOM 844 CG PHE A 85 -13.126 0.961 10.679 1.00 27.90 C ATOM 845 CD1 PHE A 85 -12.108 0.168 10.185 1.00 32.34 C ATOM 846 CD2 PHE A 85 -12.826 1.981 11.537 1.00 30.38 C ATOM 847 CE1 PHE A 85 -10.802 0.393 10.588 1.00 38.90 C ATOM 848 CE2 PHE A 85 -11.545 2.212 11.942 1.00 40.64 C ATOM 849 CZ PHE A 85 -10.529 1.425 11.475 1.00 39.19 C ATOM 850 H PHE A 85 -16.977 0.383 9.974 1.00 0.00 H ATOM 851 N ILE A 86 -15.749 0.712 13.088 1.00 19.01 N ATOM 852 CA ILE A 86 -15.665 0.889 14.544 1.00 19.82 C ATOM 853 C ILE A 86 -16.247 -0.266 15.344 1.00 20.35 C ATOM 854 O ILE A 86 -15.703 -0.673 16.386 1.00 20.46 O ATOM 855 CB ILE A 86 -16.360 2.216 14.948 1.00 22.23 C ATOM 856 CG1 ILE A 86 -15.603 3.395 14.364 1.00 23.34 C ATOM 857 CG2 ILE A 86 -16.458 2.338 16.485 1.00 23.77 C ATOM 858 CD1 ILE A 86 -14.177 3.590 14.895 1.00 26.66 C ATOM 859 H ILE A 86 -16.325 1.366 12.520 1.00 0.00 H ATOM 860 N ARG A 87 -17.377 -0.786 14.923 1.00 20.00 N ATOM 861 CA ARG A 87 -17.956 -1.933 15.624 1.00 18.88 C ATOM 862 C ARG A 87 -16.997 -3.118 15.636 1.00 20.66 C ATOM 863 O ARG A 87 -16.833 -3.798 16.649 1.00 20.63 O ATOM 864 CB ARG A 87 -19.283 -2.326 14.992 1.00 20.28 C ATOM 865 CG ARG A 87 -20.371 -1.383 15.345 1.00 23.84 C ATOM 866 CD ARG A 87 -21.597 -1.692 14.518 1.00 32.44 C ATOM 867 NE ARG A 87 -22.490 -0.596 14.806 1.00 51.42 N ATOM 868 CZ ARG A 87 -23.241 -0.552 15.895 1.00 47.92 C ATOM 869 NH1 ARG A 87 -23.232 -1.581 16.741 1.00 42.14 N ATOM 870 NH2 ARG A 87 -23.990 0.515 16.132 1.00 46.24 N ATOM 871 HE ARG A 87 -22.546 0.192 14.130 1.00 0.00 H ATOM 872 HH12 ARG A 87 -23.819 -1.554 17.599 1.00 0.00 H ATOM 873 HH11 ARG A 87 -22.638 -2.411 16.544 1.00 0.00 H ATOM 874 HH22 ARG A 87 -24.582 0.555 16.986 1.00 0.00 H ATOM 875 HH21 ARG A 87 -23.986 1.312 15.464 1.00 0.00 H ATOM 876 H ARG A 87 -17.859 -0.384 14.094 1.00 0.00 H ATOM 877 N ALA A 88 -16.357 -3.374 14.509 1.00 20.98 N ATOM 878 CA ALA A 88 -15.453 -4.512 14.427 1.00 21.74 C ATOM 879 C ALA A 88 -14.208 -4.257 15.269 1.00 21.72 C ATOM 880 O ALA A 88 -13.725 -5.154 15.975 1.00 22.71 O ATOM 881 CB ALA A 88 -15.089 -4.761 12.982 1.00 23.02 C ATOM 882 H ALA A 88 -16.499 -2.762 13.680 1.00 0.00 H ATOM 883 N LEU A 89 -13.683 -3.040 15.194 1.00 19.14 N ATOM 884 CA LEU A 89 -12.513 -2.654 16.007 1.00 20.86 C ATOM 885 C LEU A 89 -12.790 -2.751 17.498 1.00 20.29 C ATOM 886 O LEU A 89 -11.950 -3.173 18.288 1.00 21.43 O ATOM 887 CB LEU A 89 -12.074 -1.241 15.639 1.00 25.75 C ATOM 888 CG LEU A 89 -10.780 -0.737 16.260 1.00 37.70 C ATOM 889 CD1 LEU A 89 -9.605 -1.615 15.882 1.00 39.55 C ATOM 890 CD2 LEU A 89 -10.560 0.665 15.776 1.00 41.13 C ATOM 891 H LEU A 89 -14.105 -2.343 14.548 1.00 0.00 H ATOM 892 N SER A 90 -13.988 -2.361 17.882 1.00 21.30 N ATOM 893 CA SER A 90 -14.369 -2.392 19.278 1.00 19.24 C ATOM 894 C SER A 90 -14.330 -3.835 19.800 1.00 18.70 C ATOM 895 O SER A 90 -13.746 -4.115 20.847 1.00 21.53 O ATOM 896 CB SER A 90 -15.758 -1.786 19.441 1.00 21.96 C ATOM 897 OG SER A 90 -16.160 -1.829 20.795 1.00 20.89 O ATOM 898 HG SER A 90 -16.181 -2.770 21.102 1.00 0.00 H ATOM 899 H SER A 90 -14.670 -2.026 17.172 1.00 0.00 H ATOM 900 N ILE A 91 -14.934 -4.743 19.046 1.00 18.49 N ATOM 901 CA ILE A 91 -14.975 -6.134 19.466 1.00 18.61 C ATOM 902 C ILE A 91 -13.590 -6.707 19.483 1.00 21.50 C ATOM 903 O ILE A 91 -13.211 -7.383 20.444 1.00 22.86 O ATOM 904 CB ILE A 91 -15.884 -6.933 18.566 1.00 20.70 C ATOM 905 CG1 ILE A 91 -17.312 -6.523 18.804 1.00 24.88 C ATOM 906 CG2 ILE A 91 -15.777 -8.439 18.863 1.00 26.07 C ATOM 907 CD1 ILE A 91 -18.267 -7.032 17.758 1.00 45.14 C ATOM 908 H ILE A 91 -15.380 -4.459 18.151 1.00 0.00 H ATOM 909 N THR A 92 -12.829 -6.500 18.418 1.00 20.90 N ATOM 910 CA THR A 92 -11.562 -7.221 18.320 1.00 24.48 C ATOM 911 C THR A 92 -10.460 -6.643 19.207 1.00 31.12 C ATOM 912 O THR A 92 -9.545 -7.380 19.603 1.00 29.53 O ATOM 913 CB THR A 92 -11.066 -7.282 16.847 1.00 27.52 C ATOM 914 OG1 THR A 92 -10.920 -5.957 16.347 1.00 27.31 O ATOM 915 CG2 THR A 92 -12.038 -8.066 15.995 1.00 29.17 C ATOM 916 HG1 THR A 92 -11.794 -5.493 16.385 1.00 0.00 H ATOM 917 H THR A 92 -13.126 -5.841 17.671 1.00 0.00 H ATOM 918 N SER A 93 -10.541 -5.354 19.558 1.00 23.43 N ATOM 919 CA SER A 93 -9.506 -4.730 20.379 1.00 25.72 C ATOM 920 C SER A 93 -9.917 -4.552 21.855 1.00 28.98 C ATOM 921 O SER A 93 -9.067 -4.480 22.748 1.00 30.59 O ATOM 922 CB SER A 93 -9.104 -3.372 19.784 1.00 27.29 C ATOM 923 OG SER A 93 -10.133 -2.408 19.965 1.00 33.41 O ATOM 924 HG SER A 93 -10.958 -2.719 19.515 1.00 0.00 H ATOM 925 H SER A 93 -11.354 -4.788 19.241 1.00 0.00 H ATOM 926 N ARG A 94 -11.217 -4.477 22.130 1.00 22.74 N ATOM 927 CA ARG A 94 -11.679 -4.203 23.474 1.00 19.93 C ATOM 928 C ARG A 94 -12.735 -5.184 23.983 1.00 22.75 C ATOM 929 O ARG A 94 -13.206 -5.084 25.125 1.00 26.06 O ATOM 930 CB ARG A 94 -12.207 -2.766 23.546 1.00 19.86 C ATOM 931 CG ARG A 94 -11.108 -1.779 23.400 1.00 26.52 C ATOM 932 CD ARG A 94 -11.584 -0.384 23.748 1.00 26.93 C ATOM 933 NE ARG A 94 -10.501 0.566 23.513 1.00 30.66 N ATOM 934 CZ ARG A 94 -10.593 1.883 23.656 1.00 31.41 C ATOM 935 NH1 ARG A 94 -11.720 2.443 24.070 1.00 27.98 N ATOM 936 NH2 ARG A 94 -9.529 2.638 23.397 1.00 31.59 N ATOM 937 HE ARG A 94 -9.584 0.181 23.209 1.00 0.00 H ATOM 938 HH12 ARG A 94 -11.779 3.476 24.178 1.00 0.00 H ATOM 939 HH11 ARG A 94 -12.546 1.850 24.287 1.00 0.00 H ATOM 940 HH22 ARG A 94 -9.586 3.671 23.504 1.00 0.00 H ATOM 941 HH21 ARG A 94 -8.640 2.195 23.087 1.00 0.00 H ATOM 942 H ARG A 94 -11.911 -4.617 21.368 1.00 0.00 H ATOM 943 N GLY A 95 -13.128 -6.130 23.148 1.00 22.98 N ATOM 944 CA GLY A 95 -14.201 -7.017 23.533 1.00 20.48 C ATOM 945 C GLY A 95 -13.770 -8.006 24.596 1.00 21.80 C ATOM 946 O GLY A 95 -12.571 -8.229 24.816 1.00 24.33 O ATOM 947 H GLY A 95 -12.668 -6.235 22.221 1.00 0.00 H ATOM 948 N ASN A 96 -14.760 -8.560 25.285 1.00 21.66 N ATOM 949 CA ASN A 96 -14.500 -9.651 26.218 1.00 23.42 C ATOM 950 C ASN A 96 -14.321 -10.953 25.443 1.00 23.74 C ATOM 951 O ASN A 96 -14.468 -11.013 24.205 1.00 22.87 O ATOM 952 CB ASN A 96 -15.604 -9.758 27.283 1.00 25.11 C ATOM 953 CG ASN A 96 -16.967 -10.095 26.740 1.00 27.04 C ATOM 954 OD1 ASN A 96 -17.144 -10.988 25.886 1.00 26.67 O ATOM 955 ND2 ASN A 96 -17.967 -9.396 27.261 1.00 32.30 N ATOM 956 HD22 ASN A 96 -17.773 -8.661 27.970 1.00 0.00 H ATOM 957 HD21 ASN A 96 -18.945 -9.583 26.960 1.00 0.00 H ATOM 958 H ASN A 96 -15.732 -8.212 25.158 1.00 0.00 H ATOM 959 N LEU A 97 -13.948 -12.018 26.153 1.00 22.97 N ATOM 960 CA LEU A 97 -13.568 -13.239 25.475 1.00 22.62 C ATOM 961 C LEU A 97 -14.726 -13.833 24.675 1.00 21.49 C ATOM 962 O LEU A 97 -14.528 -14.279 23.548 1.00 22.76 O ATOM 963 CB LEU A 97 -13.050 -14.282 26.468 1.00 25.30 C ATOM 964 CG LEU A 97 -12.601 -15.599 25.859 1.00 28.12 C ATOM 965 CD1 LEU A 97 -11.448 -15.385 24.915 1.00 32.02 C ATOM 966 CD2 LEU A 97 -12.223 -16.583 26.958 1.00 34.80 C ATOM 967 H LEU A 97 -13.930 -11.972 27.192 1.00 0.00 H ATOM 968 N ASP A 98 -15.928 -13.776 25.238 1.00 23.63 N ATOM 969 CA ASP A 98 -17.101 -14.335 24.576 1.00 21.25 C ATOM 970 C ASP A 98 -17.414 -13.575 23.281 1.00 20.46 C ATOM 971 O ASP A 98 -17.744 -14.176 22.256 1.00 23.79 O ATOM 972 CB ASP A 98 -18.283 -14.330 25.526 1.00 27.95 C ATOM 973 CG ASP A 98 -18.159 -15.422 26.581 1.00 42.39 C ATOM 974 OD1 ASP A 98 -17.548 -16.472 26.266 1.00 36.25 O ATOM 975 OD2 ASP A 98 -18.646 -15.227 27.717 1.00 47.45 O ATOM 976 H ASP A 98 -16.034 -13.324 26.169 1.00 0.00 H ATOM 977 N GLU A 99 -17.301 -12.253 23.332 1.00 19.94 N ATOM 978 CA GLU A 99 -17.479 -11.421 22.128 1.00 21.34 C ATOM 979 C GLU A 99 -16.445 -11.688 21.051 1.00 20.85 C ATOM 980 O GLU A 99 -16.759 -11.813 19.860 1.00 20.99 O ATOM 981 CB GLU A 99 -17.433 -9.932 22.513 1.00 21.34 C ATOM 982 CG GLU A 99 -18.582 -9.499 23.419 1.00 22.50 C ATOM 983 CD GLU A 99 -18.431 -8.053 23.918 1.00 26.83 C ATOM 984 OE1 GLU A 99 -17.340 -7.655 24.384 1.00 24.88 O ATOM 985 OE2 GLU A 99 -19.412 -7.279 23.823 1.00 33.70 O ATOM 986 H GLU A 99 -17.082 -11.795 24.240 1.00 0.00 H ATOM 987 N LYS A 100 -15.188 -11.789 21.462 1.00 19.52 N ATOM 988 CA LYS A 100 -14.131 -12.093 20.510 1.00 18.61 C ATOM 989 C LYS A 100 -14.296 -13.467 19.894 1.00 20.31 C ATOM 990 O LYS A 100 -14.023 -13.641 18.715 1.00 21.87 O ATOM 991 CB LYS A 100 -12.765 -12.015 21.171 1.00 22.07 C ATOM 992 CG LYS A 100 -12.380 -10.572 21.517 1.00 22.26 C ATOM 993 CD LYS A 100 -11.060 -10.507 22.243 1.00 28.13 C ATOM 994 CE LYS A 100 -10.562 -9.065 22.443 1.00 33.00 C ATOM 995 NZ LYS A 100 -9.546 -9.092 23.552 1.00 43.16 N ATOM 996 HZ1 LYS A 100 -9.993 -9.448 24.421 1.00 0.00 H ATOM 997 HZ2 LYS A 100 -8.759 -9.717 23.284 1.00 0.00 H ATOM 998 HZ3 LYS A 100 -9.187 -8.130 23.715 1.00 0.00 H ATOM 999 H LYS A 100 -14.958 -11.651 22.467 1.00 0.00 H ATOM 1000 N LEU A 101 -14.759 -14.429 20.688 1.00 21.28 N ATOM 1001 CA LEU A 101 -14.935 -15.761 20.170 1.00 19.77 C ATOM 1002 C LEU A 101 -16.093 -15.805 19.175 1.00 19.10 C ATOM 1003 O LEU A 101 -16.023 -16.531 18.164 1.00 22.23 O ATOM 1004 CB LEU A 101 -15.139 -16.754 21.308 1.00 23.71 C ATOM 1005 CG LEU A 101 -13.832 -16.982 22.089 1.00 27.50 C ATOM 1006 CD1 LEU A 101 -14.039 -17.884 23.284 1.00 30.70 C ATOM 1007 CD2 LEU A 101 -12.712 -17.552 21.252 1.00 34.48 C ATOM 1008 H LEU A 101 -14.993 -14.220 21.679 1.00 0.00 H ATOM 1009 N HIS A 102 -17.149 -15.073 19.455 1.00 20.53 N ATOM 1010 CA HIS A 102 -18.252 -14.993 18.522 1.00 20.20 C ATOM 1011 C HIS A 102 -17.786 -14.372 17.201 1.00 21.24 C ATOM 1012 O HIS A 102 -18.133 -14.853 16.136 1.00 20.87 O ATOM 1013 CB HIS A 102 -19.409 -14.211 19.122 1.00 22.60 C ATOM 1014 CG HIS A 102 -20.681 -14.346 18.345 1.00 23.39 C ATOM 1015 ND1 HIS A 102 -21.913 -14.007 18.888 1.00 25.84 N ATOM 1016 CD2 HIS A 102 -20.933 -14.795 17.104 1.00 23.59 C ATOM 1017 CE1 HIS A 102 -22.850 -14.241 18.000 1.00 26.53 C ATOM 1018 NE2 HIS A 102 -22.293 -14.712 16.897 1.00 29.94 N ATOM 1019 H HIS A 102 -17.192 -14.549 20.352 1.00 0.00 H ATOM 1020 N TRP A 103 -17.009 -13.290 17.274 1.00 18.68 N ATOM 1021 CA TRP A 103 -16.460 -12.672 16.089 1.00 18.60 C ATOM 1022 C TRP A 103 -15.612 -13.684 15.290 1.00 19.16 C ATOM 1023 O TRP A 103 -15.742 -13.802 14.067 1.00 20.74 O ATOM 1024 CB TRP A 103 -15.652 -11.446 16.500 1.00 20.34 C ATOM 1025 CG TRP A 103 -15.504 -10.460 15.415 1.00 23.13 C ATOM 1026 CD1 TRP A 103 -16.307 -9.383 15.177 1.00 27.16 C ATOM 1027 CD2 TRP A 103 -14.489 -10.439 14.428 1.00 24.73 C ATOM 1028 NE1 TRP A 103 -15.858 -8.690 14.084 1.00 27.85 N ATOM 1029 CE2 TRP A 103 -14.735 -9.312 13.603 1.00 24.54 C ATOM 1030 CE3 TRP A 103 -13.394 -11.262 14.145 1.00 27.93 C ATOM 1031 CZ2 TRP A 103 -13.929 -8.981 12.527 1.00 30.94 C ATOM 1032 CZ3 TRP A 103 -12.593 -10.941 13.060 1.00 35.15 C ATOM 1033 CH2 TRP A 103 -12.874 -9.819 12.258 1.00 35.15 C ATOM 1034 HE1 TRP A 103 -16.296 -7.835 13.686 1.00 0.00 H ATOM 1035 H TRP A 103 -16.793 -12.882 18.206 1.00 0.00 H ATOM 1036 N ALA A 104 -14.770 -14.434 15.979 1.00 19.29 N ATOM 1037 CA ALA A 104 -13.947 -15.432 15.303 1.00 19.16 C ATOM 1038 C ALA A 104 -14.829 -16.517 14.664 1.00 18.33 C ATOM 1039 O ALA A 104 -14.539 -16.984 13.570 1.00 20.44 O ATOM 1040 CB ALA A 104 -12.984 -16.074 16.263 1.00 22.95 C ATOM 1041 H ALA A 104 -14.693 -14.312 17.009 1.00 0.00 H ATOM 1042 N PHE A 105 -15.899 -16.895 15.349 1.00 19.75 N ATOM 1043 CA PHE A 105 -16.836 -17.863 14.800 1.00 19.67 C ATOM 1044 C PHE A 105 -17.380 -17.357 13.468 1.00 19.06 C ATOM 1045 O PHE A 105 -17.468 -18.106 12.470 1.00 20.28 O ATOM 1046 CB PHE A 105 -17.985 -18.119 15.768 1.00 19.01 C ATOM 1047 CG PHE A 105 -18.944 -19.121 15.258 1.00 18.94 C ATOM 1048 CD1 PHE A 105 -18.701 -20.459 15.459 1.00 20.55 C ATOM 1049 CD2 PHE A 105 -20.043 -18.737 14.541 1.00 23.39 C ATOM 1050 CE1 PHE A 105 -19.565 -21.437 14.950 1.00 22.11 C ATOM 1051 CE2 PHE A 105 -20.911 -19.689 13.988 1.00 24.40 C ATOM 1052 CZ PHE A 105 -20.667 -21.033 14.206 1.00 21.67 C ATOM 1053 H PHE A 105 -16.071 -16.494 16.293 1.00 0.00 H ATOM 1054 N ARG A 106 -17.726 -16.068 13.416 1.00 18.42 N ATOM 1055 CA ARG A 106 -18.285 -15.496 12.203 1.00 20.44 C ATOM 1056 C ARG A 106 -17.266 -15.546 11.078 1.00 20.21 C ATOM 1057 O ARG A 106 -17.623 -15.772 9.934 1.00 21.73 O ATOM 1058 CB ARG A 106 -18.739 -14.054 12.449 1.00 21.42 C ATOM 1059 CG ARG A 106 -19.938 -13.973 13.378 1.00 22.95 C ATOM 1060 CD ARG A 106 -20.351 -12.526 13.691 1.00 29.68 C ATOM 1061 NE ARG A 106 -20.556 -11.733 12.471 1.00 35.91 N ATOM 1062 CZ ARG A 106 -20.090 -10.499 12.256 1.00 43.79 C ATOM 1063 NH1 ARG A 106 -19.385 -9.853 13.177 1.00 45.53 N ATOM 1064 NH2 ARG A 106 -20.337 -9.891 11.098 1.00 40.75 N ATOM 1065 HE ARG A 106 -21.112 -12.170 11.709 1.00 0.00 H ATOM 1066 HH12 ARG A 106 -19.034 -8.893 12.985 1.00 0.00 H ATOM 1067 HH11 ARG A 106 -19.184 -10.307 14.091 1.00 0.00 H ATOM 1068 HH22 ARG A 106 -19.976 -8.931 10.927 1.00 0.00 H ATOM 1069 HH21 ARG A 106 -20.891 -10.376 10.364 1.00 0.00 H ATOM 1070 H ARG A 106 -17.594 -15.466 14.254 1.00 0.00 H ATOM 1071 N LEU A 107 -16.003 -15.323 11.398 1.00 18.42 N ATOM 1072 CA LEU A 107 -14.951 -15.417 10.411 1.00 20.10 C ATOM 1073 C LEU A 107 -14.818 -16.844 9.861 1.00 20.96 C ATOM 1074 O LEU A 107 -14.742 -17.042 8.650 1.00 23.33 O ATOM 1075 CB LEU A 107 -13.633 -14.948 11.007 1.00 23.27 C ATOM 1076 CG LEU A 107 -12.451 -14.958 10.045 1.00 26.50 C ATOM 1077 CD1 LEU A 107 -12.618 -13.853 9.034 1.00 32.48 C ATOM 1078 CD2 LEU A 107 -11.180 -14.738 10.835 1.00 38.18 C ATOM 1079 H LEU A 107 -15.761 -15.075 12.379 1.00 0.00 H ATOM 1080 N TYR A 108 -14.802 -17.821 10.745 1.00 20.83 N ATOM 1081 CA TYR A 108 -14.656 -19.218 10.319 1.00 21.16 C ATOM 1082 C TYR A 108 -15.876 -19.758 9.590 1.00 26.57 C ATOM 1083 O TYR A 108 -15.747 -20.624 8.722 1.00 24.90 O ATOM 1084 CB TYR A 108 -14.362 -20.112 11.505 1.00 20.07 C ATOM 1085 CG TYR A 108 -12.914 -20.140 11.933 1.00 21.60 C ATOM 1086 CD1 TYR A 108 -11.953 -20.826 11.192 1.00 24.91 C ATOM 1087 CD2 TYR A 108 -12.508 -19.512 13.088 1.00 25.12 C ATOM 1088 CE1 TYR A 108 -10.623 -20.858 11.599 1.00 28.12 C ATOM 1089 CE2 TYR A 108 -11.174 -19.538 13.500 1.00 26.52 C ATOM 1090 CZ TYR A 108 -10.243 -20.205 12.748 1.00 30.47 C ATOM 1091 OH TYR A 108 -8.921 -20.214 13.162 1.00 33.54 O ATOM 1092 HH TYR A 108 -8.860 -20.631 14.058 1.00 0.00 H ATOM 1093 H TYR A 108 -14.894 -17.600 11.757 1.00 0.00 H ATOM 1094 N ASP A 109 -17.054 -19.275 9.939 1.00 21.64 N ATOM 1095 CA ASP A 109 -18.286 -19.716 9.289 1.00 23.49 C ATOM 1096 C ASP A 109 -18.476 -18.922 8.004 1.00 27.60 C ATOM 1097 O ASP A 109 -19.297 -18.011 7.901 1.00 22.98 O ATOM 1098 CB ASP A 109 -19.460 -19.548 10.249 1.00 18.97 C ATOM 1099 CG ASP A 109 -20.800 -19.928 9.633 1.00 23.26 C ATOM 1100 OD1 ASP A 109 -20.789 -20.647 8.617 1.00 23.20 O ATOM 1101 OD2 ASP A 109 -21.854 -19.545 10.192 1.00 23.54 O ATOM 1102 H ASP A 109 -17.106 -18.563 10.695 1.00 0.00 H ATOM 1103 N VAL A 110 -17.679 -19.296 7.012 1.00 24.69 N ATOM 1104 CA VAL A 110 -17.577 -18.533 5.786 1.00 27.66 C ATOM 1105 C VAL A 110 -18.915 -18.422 5.071 1.00 30.39 C ATOM 1106 O VAL A 110 -19.231 -17.349 4.543 1.00 34.45 O ATOM 1107 CB VAL A 110 -16.511 -19.131 4.867 1.00 30.67 C ATOM 1108 CG1 VAL A 110 -16.358 -18.245 3.659 1.00 34.16 C ATOM 1109 CG2 VAL A 110 -15.163 -19.255 5.583 1.00 33.63 C ATOM 1110 H VAL A 110 -17.112 -20.161 7.118 1.00 0.00 H ATOM 1111 N ASP A 111 -19.717 -19.494 5.059 1.00 27.69 N ATOM 1112 CA ASP A 111 -20.990 -19.422 4.356 1.00 26.38 C ATOM 1113 C ASP A 111 -22.159 -18.994 5.230 1.00 28.53 C ATOM 1114 O ASP A 111 -23.303 -19.036 4.786 1.00 28.50 O ATOM 1115 CB ASP A 111 -21.308 -20.750 3.665 1.00 26.39 C ATOM 1116 CG ASP A 111 -21.522 -21.909 4.623 1.00 31.88 C ATOM 1117 OD1 ASP A 111 -21.563 -21.692 5.849 1.00 28.19 O ATOM 1118 OD2 ASP A 111 -21.671 -23.066 4.147 1.00 38.18 O ATOM 1119 H ASP A 111 -19.434 -20.368 5.546 1.00 0.00 H ATOM 1120 N ASN A 112 -21.864 -18.559 6.457 1.00 24.23 N ATOM 1121 CA ASN A 112 -22.862 -18.017 7.365 1.00 23.94 C ATOM 1122 C ASN A 112 -24.061 -18.958 7.551 1.00 26.46 C ATOM 1123 O ASN A 112 -25.200 -18.493 7.617 1.00 30.04 O ATOM 1124 CB ASN A 112 -23.337 -16.653 6.854 1.00 29.41 C ATOM 1125 CG ASN A 112 -24.221 -15.926 7.845 1.00 26.88 C ATOM 1126 OD1 ASN A 112 -23.943 -15.895 9.043 1.00 33.76 O ATOM 1127 ND2 ASN A 112 -25.300 -15.331 7.343 1.00 35.86 N ATOM 1128 HD22 ASN A 112 -25.496 -15.383 6.323 1.00 0.00 H ATOM 1129 HD21 ASN A 112 -25.948 -14.813 7.971 1.00 0.00 H ATOM 1130 H ASN A 112 -20.876 -18.610 6.778 1.00 0.00 H ATOM 1131 N ASP A 113 -23.809 -20.267 7.663 1.00 23.67 N ATOM 1132 CA ASP A 113 -24.918 -21.193 7.878 1.00 25.57 C ATOM 1133 C ASP A 113 -25.077 -21.584 9.357 1.00 23.07 C ATOM 1134 O ASP A 113 -25.957 -22.390 9.708 1.00 25.85 O ATOM 1135 CB ASP A 113 -24.776 -22.451 6.998 1.00 27.36 C ATOM 1136 CG ASP A 113 -23.710 -23.414 7.478 1.00 27.82 C ATOM 1137 OD1 ASP A 113 -22.804 -23.006 8.220 1.00 24.84 O ATOM 1138 OD2 ASP A 113 -23.772 -24.634 7.119 1.00 31.66 O ATOM 1139 H ASP A 113 -22.834 -20.622 7.598 1.00 0.00 H ATOM 1140 N GLY A 114 -24.281 -20.981 10.243 1.00 21.43 N ATOM 1141 CA GLY A 114 -24.408 -21.238 11.662 1.00 23.95 C ATOM 1142 C GLY A 114 -23.531 -22.366 12.170 1.00 20.25 C ATOM 1143 O GLY A 114 -23.535 -22.701 13.366 1.00 23.38 O ATOM 1144 H GLY A 114 -23.556 -20.314 9.908 1.00 0.00 H ATOM 1145 N TYR A 115 -22.744 -22.944 11.267 1.00 19.60 N ATOM 1146 CA TYR A 115 -21.833 -24.023 11.613 1.00 21.01 C ATOM 1147 C TYR A 115 -20.469 -23.789 10.994 1.00 20.97 C ATOM 1148 O TYR A 115 -20.400 -23.297 9.893 1.00 25.99 O ATOM 1149 CB TYR A 115 -22.341 -25.370 11.081 1.00 20.20 C ATOM 1150 CG TYR A 115 -23.606 -25.873 11.711 1.00 20.03 C ATOM 1151 CD1 TYR A 115 -23.567 -26.553 12.919 1.00 19.88 C ATOM 1152 CD2 TYR A 115 -24.830 -25.707 11.077 1.00 23.06 C ATOM 1153 CE1 TYR A 115 -24.693 -27.015 13.505 1.00 23.81 C ATOM 1154 CE2 TYR A 115 -25.984 -26.184 11.666 1.00 27.28 C ATOM 1155 CZ TYR A 115 -25.896 -26.842 12.876 1.00 30.39 C ATOM 1156 OH TYR A 115 -26.993 -27.350 13.514 1.00 31.64 O ATOM 1157 HH TYR A 115 -26.712 -27.779 14.361 1.00 0.00 H ATOM 1158 H TYR A 115 -22.781 -22.614 10.282 1.00 0.00 H ATOM 1159 N ILE A 116 -19.408 -24.200 11.686 1.00 22.14 N ATOM 1160 CA ILE A 116 -18.089 -24.283 11.079 1.00 18.70 C ATOM 1161 C ILE A 116 -17.871 -25.739 10.656 1.00 21.75 C ATOM 1162 O ILE A 116 -17.975 -26.629 11.487 1.00 24.94 O ATOM 1163 CB ILE A 116 -16.970 -23.875 12.032 1.00 23.26 C ATOM 1164 CG1 ILE A 116 -17.168 -22.434 12.497 1.00 25.12 C ATOM 1165 CG2 ILE A 116 -15.620 -24.063 11.343 1.00 25.73 C ATOM 1166 CD1 ILE A 116 -16.308 -22.073 13.684 1.00 21.75 C ATOM 1167 H ILE A 116 -19.525 -24.468 12.684 1.00 0.00 H ATOM 1168 N THR A 117 -17.534 -25.924 9.393 1.00 25.51 N ATOM 1169 CA THR A 117 -17.085 -27.252 8.927 1.00 27.69 C ATOM 1170 C THR A 117 -15.555 -27.379 8.912 1.00 27.89 C ATOM 1171 O THR A 117 -14.820 -26.395 9.055 1.00 28.46 O ATOM 1172 CB THR A 117 -17.593 -27.525 7.531 1.00 30.13 C ATOM 1173 OG1 THR A 117 -16.980 -26.622 6.612 1.00 31.99 O ATOM 1174 CG2 THR A 117 -19.102 -27.369 7.467 1.00 35.92 C ATOM 1175 HG1 THR A 117 -17.316 -26.804 5.699 1.00 0.00 H ATOM 1176 H THR A 117 -17.585 -25.131 8.723 1.00 0.00 H ATOM 1177 N ARG A 118 -15.057 -28.616 8.764 1.00 28.97 N ATOM 1178 CA ARG A 118 -13.615 -28.824 8.643 1.00 29.46 C ATOM 1179 C ARG A 118 -13.034 -28.008 7.523 1.00 25.51 C ATOM 1180 O ARG A 118 -11.979 -27.379 7.669 1.00 30.27 O ATOM 1181 CB ARG A 118 -13.294 -30.317 8.389 1.00 33.13 C ATOM 1182 CG ARG A 118 -13.630 -31.158 9.527 1.00 36.37 C ATOM 1183 CD ARG A 118 -13.558 -32.672 9.166 1.00 32.88 C ATOM 1184 NE ARG A 118 -14.191 -33.409 10.245 1.00 38.81 N ATOM 1185 CZ ARG A 118 -13.610 -33.672 11.403 1.00 38.00 C ATOM 1186 NH1 ARG A 118 -12.350 -33.290 11.612 1.00 43.81 N ATOM 1187 NH2 ARG A 118 -14.283 -34.323 12.345 1.00 47.06 N ATOM 1188 HE ARG A 118 -15.162 -33.751 10.098 1.00 0.00 H ATOM 1189 HH12 ARG A 118 -11.889 -33.495 12.521 1.00 0.00 H ATOM 1190 HH11 ARG A 118 -11.828 -32.787 10.866 1.00 0.00 H ATOM 1191 HH22 ARG A 118 -13.830 -34.532 13.257 1.00 0.00 H ATOM 1192 HH21 ARG A 118 -15.263 -34.624 12.170 1.00 0.00 H ATOM 1193 H ARG A 118 -15.701 -29.432 8.735 1.00 0.00 H ATOM 1194 N GLU A 119 -13.731 -28.036 6.396 1.00 27.42 N ATOM 1195 CA GLU A 119 -13.309 -27.371 5.189 1.00 29.18 C ATOM 1196 C GLU A 119 -13.228 -25.856 5.379 1.00 27.48 C ATOM 1197 O GLU A 119 -12.383 -25.203 4.791 1.00 29.21 O ATOM 1198 CB GLU A 119 -14.266 -27.696 4.050 1.00 40.92 C ATOM 1199 CG GLU A 119 -14.215 -29.171 3.597 1.00 42.52 C ATOM 1200 CD GLU A 119 -14.867 -30.155 4.587 1.00 50.97 C ATOM 1201 OE1 GLU A 119 -15.694 -29.738 5.435 1.00 41.26 O ATOM 1202 OE2 GLU A 119 -14.557 -31.369 4.505 1.00 60.21 O ATOM 1203 H GLU A 119 -14.627 -28.564 6.382 1.00 0.00 H ATOM 1204 N GLU A 120 -14.153 -25.308 6.161 1.00 30.61 N ATOM 1205 CA GLU A 120 -14.132 -23.873 6.452 1.00 28.98 C ATOM 1206 C GLU A 120 -12.921 -23.558 7.307 1.00 25.10 C ATOM 1207 O GLU A 120 -12.226 -22.548 7.104 1.00 27.11 O ATOM 1208 CB GLU A 120 -15.433 -23.444 7.156 1.00 27.28 C ATOM 1209 CG GLU A 120 -16.566 -23.372 6.182 1.00 24.75 C ATOM 1210 CD GLU A 120 -17.924 -23.010 6.783 1.00 24.18 C ATOM 1211 OE1 GLU A 120 -18.220 -23.457 7.900 1.00 24.28 O ATOM 1212 OE2 GLU A 120 -18.669 -22.284 6.076 1.00 27.75 O ATOM 1213 H GLU A 120 -14.900 -25.905 6.571 1.00 0.00 H ATOM 1214 N MET A 121 -12.658 -24.407 8.279 1.00 26.33 N ATOM 1215 CA MET A 121 -11.496 -24.228 9.114 1.00 26.92 C ATOM 1216 C MET A 121 -10.203 -24.356 8.257 1.00 32.09 C ATOM 1217 O MET A 121 -9.280 -23.553 8.406 1.00 29.32 O ATOM 1218 CB MET A 121 -11.546 -25.223 10.250 1.00 32.80 C ATOM 1219 CG MET A 121 -10.741 -24.842 11.452 1.00 36.64 C ATOM 1220 SD MET A 121 -11.297 -25.653 12.972 1.00 34.67 S ATOM 1221 CE MET A 121 -12.446 -24.444 13.635 1.00 41.30 C ATOM 1222 H MET A 121 -13.294 -25.213 8.446 1.00 0.00 H ATOM 1223 N TYR A 122 -10.130 -25.343 7.364 1.00 32.78 N ATOM 1224 CA TYR A 122 -8.985 -25.420 6.428 1.00 33.16 C ATOM 1225 C TYR A 122 -8.775 -24.126 5.651 1.00 28.35 C ATOM 1226 O TYR A 122 -7.648 -23.635 5.504 1.00 32.58 O ATOM 1227 CB TYR A 122 -9.164 -26.528 5.391 1.00 35.22 C ATOM 1228 CG TYR A 122 -9.258 -27.936 5.917 1.00 40.03 C ATOM 1229 CD1 TYR A 122 -8.796 -28.291 7.189 1.00 41.58 C ATOM 1230 CD2 TYR A 122 -9.810 -28.928 5.119 1.00 38.00 C ATOM 1231 CE1 TYR A 122 -8.898 -29.615 7.632 1.00 40.98 C ATOM 1232 CE2 TYR A 122 -9.915 -30.218 5.549 1.00 45.19 C ATOM 1233 CZ TYR A 122 -9.467 -30.563 6.791 1.00 42.07 C ATOM 1234 OH TYR A 122 -9.614 -31.880 7.136 1.00 48.36 O ATOM 1235 HH TYR A 122 -9.260 -32.022 8.049 1.00 0.00 H ATOM 1236 H TYR A 122 -10.880 -26.062 7.324 1.00 0.00 H ATOM 1237 N ASN A 123 -9.876 -23.588 5.133 1.00 27.64 N ATOM 1238 CA ASN A 123 -9.896 -22.358 4.366 1.00 29.21 C ATOM 1239 C ASN A 123 -9.241 -21.205 5.106 1.00 31.25 C ATOM 1240 O ASN A 123 -8.361 -20.564 4.575 1.00 28.31 O ATOM 1241 CB ASN A 123 -11.348 -22.041 4.026 1.00 26.87 C ATOM 1242 CG ASN A 123 -11.511 -20.824 3.152 1.00 36.54 C ATOM 1243 OD1 ASN A 123 -10.581 -20.044 2.947 1.00 47.45 O ATOM 1244 ND2 ASN A 123 -12.720 -20.639 2.648 1.00 37.17 N ATOM 1245 HD22 ASN A 123 -13.477 -21.324 2.847 1.00 0.00 H ATOM 1246 HD21 ASN A 123 -12.914 -19.809 2.053 1.00 0.00 H ATOM 1247 H ASN A 123 -10.779 -24.081 5.288 1.00 0.00 H ATOM 1248 N ILE A 124 -9.657 -20.945 6.340 1.00 25.68 N ATOM 1249 CA ILE A 124 -9.092 -19.836 7.102 1.00 27.83 C ATOM 1250 C ILE A 124 -7.603 -20.108 7.366 1.00 27.00 C ATOM 1251 O ILE A 124 -6.774 -19.209 7.250 1.00 30.30 O ATOM 1252 CB ILE A 124 -9.866 -19.600 8.424 1.00 27.38 C ATOM 1253 CG1 ILE A 124 -11.077 -18.683 8.186 1.00 29.58 C ATOM 1254 CG2 ILE A 124 -8.976 -18.947 9.473 1.00 28.88 C ATOM 1255 CD1 ILE A 124 -12.102 -19.246 7.266 1.00 29.56 C ATOM 1256 H ILE A 124 -10.395 -21.539 6.769 1.00 0.00 H ATOM 1257 N VAL A 125 -7.260 -21.350 7.695 1.00 26.29 N ATOM 1258 CA VAL A 125 -5.888 -21.657 8.073 1.00 27.24 C ATOM 1259 C VAL A 125 -4.986 -21.468 6.867 1.00 26.76 C ATOM 1260 O VAL A 125 -3.913 -20.882 6.991 1.00 30.59 O ATOM 1261 CB VAL A 125 -5.767 -23.074 8.637 1.00 31.58 C ATOM 1262 CG1 VAL A 125 -4.290 -23.477 8.784 1.00 36.70 C ATOM 1263 CG2 VAL A 125 -6.454 -23.136 9.976 1.00 28.96 C ATOM 1264 H VAL A 125 -7.975 -22.105 7.682 1.00 0.00 H ATOM 1265 N ASP A 126 -5.434 -21.958 5.719 1.00 27.44 N ATOM 1266 CA ASP A 126 -4.726 -21.775 4.466 1.00 32.68 C ATOM 1267 C ASP A 126 -4.555 -20.290 4.175 1.00 34.60 C ATOM 1268 O ASP A 126 -3.480 -19.822 3.797 1.00 33.80 O ATOM 1269 CB ASP A 126 -5.483 -22.451 3.336 1.00 37.20 C ATOM 1270 CG ASP A 126 -4.780 -22.329 2.019 1.00 51.23 C ATOM 1271 OD1 ASP A 126 -3.600 -22.722 1.945 1.00 51.34 O ATOM 1272 OD2 ASP A 126 -5.409 -21.832 1.059 1.00 53.85 O ATOM 1273 H ASP A 126 -6.326 -22.493 5.717 1.00 0.00 H ATOM 1274 N ALA A 127 -5.616 -19.529 4.371 1.00 29.11 N ATOM 1275 CA ALA A 127 -5.542 -18.099 4.124 1.00 31.35 C ATOM 1276 C ALA A 127 -4.459 -17.425 4.972 1.00 30.41 C ATOM 1277 O ALA A 127 -3.745 -16.512 4.517 1.00 30.93 O ATOM 1278 CB ALA A 127 -6.895 -17.455 4.397 1.00 28.91 C ATOM 1279 H ALA A 127 -6.506 -19.954 4.703 1.00 0.00 H ATOM 1280 N ILE A 128 -4.366 -17.833 6.230 1.00 26.75 N ATOM 1281 CA ILE A 128 -3.388 -17.281 7.152 1.00 29.84 C ATOM 1282 C ILE A 128 -1.993 -17.618 6.658 1.00 36.31 C ATOM 1283 O ILE A 128 -1.099 -16.773 6.667 1.00 36.73 O ATOM 1284 CB ILE A 128 -3.614 -17.799 8.584 1.00 31.41 C ATOM 1285 CG1 ILE A 128 -4.884 -17.176 9.140 1.00 28.73 C ATOM 1286 CG2 ILE A 128 -2.457 -17.437 9.488 1.00 35.94 C ATOM 1287 CD1 ILE A 128 -5.396 -17.869 10.374 1.00 41.70 C ATOM 1288 H ILE A 128 -5.014 -18.573 6.568 1.00 0.00 H ATOM 1289 N TYR A 129 -1.795 -18.861 6.242 1.00 28.62 N ATOM 1290 CA TYR A 129 -0.480 -19.265 5.773 1.00 35.64 C ATOM 1291 C TYR A 129 -0.094 -18.484 4.516 1.00 40.48 C ATOM 1292 O TYR A 129 1.069 -18.117 4.352 1.00 38.57 O ATOM 1293 CB TYR A 129 -0.436 -20.763 5.496 1.00 33.74 C ATOM 1294 CG TYR A 129 -0.101 -21.625 6.701 1.00 35.47 C ATOM 1295 CD1 TYR A 129 1.146 -21.558 7.310 1.00 47.13 C ATOM 1296 CD2 TYR A 129 -1.020 -22.540 7.193 1.00 40.87 C ATOM 1297 CE1 TYR A 129 1.456 -22.360 8.395 1.00 55.22 C ATOM 1298 CE2 TYR A 129 -0.725 -23.351 8.274 1.00 45.11 C ATOM 1299 CZ TYR A 129 0.511 -23.258 8.873 1.00 52.54 C ATOM 1300 OH TYR A 129 0.790 -24.065 9.951 1.00 63.50 O ATOM 1301 HH TYR A 129 0.145 -23.877 10.678 1.00 0.00 H ATOM 1302 H TYR A 129 -2.578 -19.545 6.251 1.00 0.00 H ATOM 1303 N GLN A 130 -1.058 -18.218 3.633 1.00 31.72 N ATOM 1304 CA GLN A 130 -0.781 -17.451 2.414 1.00 32.14 C ATOM 1305 C GLN A 130 -0.259 -16.061 2.766 1.00 49.28 C ATOM 1306 O GLN A 130 0.584 -15.480 2.054 1.00 38.29 O ATOM 1307 CB GLN A 130 -2.033 -17.333 1.550 1.00 35.67 C ATOM 1308 CG GLN A 130 -2.470 -18.622 0.915 1.00 36.65 C ATOM 1309 CD GLN A 130 -3.641 -18.415 -0.013 1.00 47.45 C ATOM 1310 OE1 GLN A 130 -3.805 -17.332 -0.588 1.00 50.01 O ATOM 1311 NE2 GLN A 130 -4.471 -19.437 -0.159 1.00 51.01 N ATOM 1312 HE22 GLN A 130 -4.292 -20.329 0.345 1.00 0.00 H ATOM 1313 HE21 GLN A 130 -5.302 -19.348 -0.778 1.00 0.00 H ATOM 1314 H GLN A 130 -2.023 -18.561 3.812 1.00 0.00 H ATOM 1315 N MET A 131 -0.770 -15.542 3.879 1.00 39.21 N ATOM 1316 CA MET A 131 -0.470 -14.194 4.332 1.00 39.59 C ATOM 1317 C MET A 131 0.924 -14.120 4.952 1.00 49.09 C ATOM 1318 O MET A 131 1.735 -13.279 4.551 1.00 53.38 O ATOM 1319 CB MET A 131 -1.540 -13.745 5.342 1.00 42.82 C ATOM 1320 CG MET A 131 -1.322 -12.383 5.962 1.00 49.69 C ATOM 1321 SD MET A 131 -2.705 -11.823 7.001 1.00 46.65 S ATOM 1322 CE MET A 131 -2.847 -13.230 8.096 1.00 45.58 C ATOM 1323 H MET A 131 -1.413 -16.127 4.450 1.00 0.00 H ATOM 1324 N VAL A 132 1.203 -15.025 5.895 1.00 43.07 N ATOM 1325 CA VAL A 132 2.405 -14.960 6.739 1.00 49.68 C ATOM 1326 C VAL A 132 3.563 -15.841 6.245 1.00 53.45 C ATOM 1327 O VAL A 132 4.691 -15.704 6.725 1.00 57.11 O ATOM 1328 CB VAL A 132 2.071 -15.343 8.204 1.00 43.46 C ATOM 1329 CG1 VAL A 132 0.786 -14.657 8.672 1.00 46.58 C ATOM 1330 CG2 VAL A 132 1.958 -16.859 8.376 1.00 46.34 C ATOM 1331 H VAL A 132 0.539 -15.812 6.039 1.00 0.00 H ATOM 1332 N GLY A 133 3.280 -16.753 5.322 1.00 46.16 N ATOM 1333 CA GLY A 133 4.309 -17.609 4.755 1.00 44.55 C ATOM 1334 C GLY A 133 3.981 -19.088 4.893 1.00 44.79 C ATOM 1335 O GLY A 133 3.849 -19.604 6.005 1.00 54.44 O ATOM 1336 H GLY A 133 2.298 -16.857 4.997 1.00 0.00 H ATOM 1337 N GLN A 134 3.840 -19.760 3.752 1.00 44.02 N ATOM 1338 CA GLN A 134 3.498 -21.183 3.699 1.00 46.14 C ATOM 1339 C GLN A 134 4.689 -22.046 4.077 1.00 57.41 C ATOM 1340 O GLN A 134 5.835 -21.662 3.818 1.00 50.99 O ATOM 1341 CB GLN A 134 3.021 -21.543 2.295 1.00 49.06 C ATOM 1342 CG GLN A 134 1.561 -21.223 2.029 1.00 46.75 C ATOM 1343 CD GLN A 134 0.660 -22.408 2.306 1.00 60.96 C ATOM 1344 OE1 GLN A 134 0.942 -23.237 3.179 1.00 58.55 O ATOM 1345 NE2 GLN A 134 -0.425 -22.511 1.538 1.00 71.92 N ATOM 1346 HE22 GLN A 134 -0.621 -21.789 0.816 1.00 0.00 H ATOM 1347 HE21 GLN A 134 -1.075 -23.314 1.661 1.00 0.00 H ATOM 1348 H GLN A 134 3.979 -19.250 2.856 1.00 0.00 H ATOM 1349 N GLN A 135 4.436 -23.218 4.665 1.00 51.39 N ATOM 1350 CA GLN A 135 5.545 -24.074 5.078 1.00 55.48 C ATOM 1351 C GLN A 135 5.420 -25.479 4.530 1.00 54.98 C ATOM 1352 O GLN A 135 4.348 -26.076 4.581 1.00 51.15 O ATOM 1353 CB GLN A 135 5.654 -24.096 6.599 1.00 42.48 C ATOM 1354 CG GLN A 135 6.062 -22.742 7.091 1.00 48.65 C ATOM 1355 CD GLN A 135 5.990 -22.607 8.572 1.00 62.25 C ATOM 1356 OE1 GLN A 135 5.132 -23.208 9.219 1.00 64.96 O ATOM 1357 NE2 GLN A 135 6.896 -21.808 9.135 1.00 63.11 N ATOM 1358 HE22 GLN A 135 7.600 -21.323 8.544 1.00 0.00 H ATOM 1359 HE21 GLN A 135 6.899 -21.670 10.166 1.00 0.00 H ATOM 1360 H GLN A 135 3.454 -23.520 4.828 1.00 0.00 H ATOM 1361 N PRO A 136 6.524 -25.997 3.969 1.00 54.93 N ATOM 1362 CA PRO A 136 6.492 -27.351 3.413 1.00 47.56 C ATOM 1363 C PRO A 136 6.322 -28.415 4.501 1.00 50.71 C ATOM 1364 O PRO A 136 6.917 -28.274 5.569 1.00 47.35 O ATOM 1365 CB PRO A 136 7.853 -27.471 2.721 1.00 46.12 C ATOM 1366 CG PRO A 136 8.746 -26.489 3.415 1.00 46.55 C ATOM 1367 CD PRO A 136 7.844 -25.354 3.803 1.00 46.67 C ATOM 1368 N GLN A 137 5.508 -29.439 4.246 1.00 62.35 N ATOM 1369 CA GLN A 137 5.388 -30.560 5.181 1.00 54.27 C ATOM 1370 C GLN A 137 5.806 -31.820 4.444 1.00 54.62 C ATOM 1371 O GLN A 137 5.320 -32.105 3.344 1.00 63.90 O ATOM 1372 CB GLN A 137 3.964 -30.713 5.748 1.00 57.56 C ATOM 1373 CG GLN A 137 3.534 -29.576 6.684 1.00 45.60 C ATOM 1374 CD GLN A 137 3.064 -28.367 5.904 1.00 63.07 C ATOM 1375 OE1 GLN A 137 2.789 -28.471 4.705 1.00 70.05 O ATOM 1376 NE2 GLN A 137 2.968 -27.214 6.567 1.00 60.63 N ATOM 1377 HE22 GLN A 137 3.210 -27.173 7.578 1.00 0.00 H ATOM 1378 HE21 GLN A 137 2.651 -26.355 6.074 1.00 0.00 H ATOM 1379 H GLN A 137 4.949 -29.442 3.369 1.00 0.00 H ATOM 1380 N THR A 138 6.730 -32.555 5.054 1.00 53.50 N ATOM 1381 CA THR A 138 7.206 -33.815 4.502 1.00 55.36 C ATOM 1382 C THR A 138 6.532 -35.004 5.188 1.00 54.72 C ATOM 1383 O THR A 138 6.810 -36.152 4.843 1.00 56.49 O ATOM 1384 CB THR A 138 8.745 -33.942 4.636 1.00 45.85 C ATOM 1385 OG1 THR A 138 9.108 -34.185 6.005 1.00 46.73 O ATOM 1386 CG2 THR A 138 9.428 -32.668 4.131 1.00 37.94 C ATOM 1387 HG1 THR A 138 10.092 -34.264 6.075 1.00 0.00 H ATOM 1388 H THR A 138 7.126 -32.219 5.955 1.00 0.00 H ATOM 1389 N GLU A 139 5.646 -34.732 6.148 1.00 47.90 N ATOM 1390 CA GLU A 139 4.880 -35.790 6.811 1.00 54.48 C ATOM 1391 C GLU A 139 3.397 -35.599 6.522 1.00 60.68 C ATOM 1392 O GLU A 139 2.769 -34.620 6.953 1.00 64.42 O ATOM 1393 CB GLU A 139 5.141 -35.811 8.321 1.00 56.58 C ATOM 1394 CG GLU A 139 6.448 -36.522 8.727 1.00 50.30 C ATOM 1395 CD GLU A 139 6.542 -37.958 8.231 1.00 64.70 C ATOM 1396 OE1 GLU A 139 5.492 -38.642 8.204 1.00 65.26 O ATOM 1397 OE2 GLU A 139 7.663 -38.397 7.859 1.00 52.22 O ATOM 1398 H GLU A 139 5.495 -33.743 6.433 1.00 0.00 H ATOM 1399 N ASP A 140 2.857 -36.541 5.760 1.00 57.84 N ATOM 1400 CA ASP A 140 1.479 -36.475 5.326 1.00 62.42 C ATOM 1401 C ASP A 140 0.544 -36.647 6.519 1.00 63.65 C ATOM 1402 O ASP A 140 -0.644 -36.309 6.429 1.00 64.91 O ATOM 1403 CB ASP A 140 1.209 -37.547 4.264 1.00 57.39 C ATOM 1404 CG ASP A 140 1.142 -36.977 2.859 1.00 69.05 C ATOM 1405 OD1 ASP A 140 1.592 -35.820 2.640 1.00 65.02 O ATOM 1406 OD2 ASP A 140 0.633 -37.701 1.971 1.00 68.41 O ATOM 1407 H ASP A 140 3.441 -37.350 5.466 1.00 0.00 H ATOM 1408 N GLU A 141 1.082 -37.158 7.632 1.00 66.92 N ATOM 1409 CA GLU A 141 0.293 -37.344 8.859 1.00 64.86 C ATOM 1410 C GLU A 141 0.372 -36.133 9.809 1.00 64.60 C ATOM 1411 O GLU A 141 -0.310 -36.112 10.841 1.00 59.93 O ATOM 1412 CB GLU A 141 0.732 -38.615 9.617 1.00 67.68 C ATOM 1413 CG GLU A 141 0.815 -39.915 8.776 1.00 60.27 C ATOM 1414 CD GLU A 141 -0.198 -39.977 7.632 1.00 74.39 C ATOM 1415 OE1 GLU A 141 -1.419 -39.828 7.892 1.00 74.03 O ATOM 1416 OE2 GLU A 141 0.236 -40.176 6.470 1.00 69.62 O ATOM 1417 H GLU A 141 2.085 -37.431 7.630 1.00 0.00 H ATOM 1418 N ASN A 142 1.175 -35.127 9.452 1.00 64.56 N ATOM 1419 CA ASN A 142 1.402 -33.966 10.322 1.00 57.79 C ATOM 1420 C ASN A 142 1.231 -32.615 9.603 1.00 58.57 C ATOM 1421 O ASN A 142 1.843 -31.615 9.989 1.00 62.47 O ATOM 1422 CB ASN A 142 2.811 -34.054 10.925 1.00 62.60 C ATOM 1423 CG ASN A 142 2.929 -33.324 12.250 1.00 63.62 C ATOM 1424 OD1 ASN A 142 2.995 -32.090 12.297 1.00 68.20 O ATOM 1425 ND2 ASN A 142 2.962 -34.084 13.337 1.00 65.33 N ATOM 1426 HD22 ASN A 142 2.904 -35.119 13.250 1.00 0.00 H ATOM 1427 HD21 ASN A 142 3.046 -33.645 14.276 1.00 0.00 H ATOM 1428 H ASN A 142 1.654 -35.167 8.530 1.00 0.00 H ATOM 1429 N THR A 143 0.403 -32.590 8.560 1.00 54.13 N ATOM 1430 CA THR A 143 0.081 -31.358 7.846 1.00 48.20 C ATOM 1431 C THR A 143 -0.809 -30.436 8.683 1.00 52.03 C ATOM 1432 O THR A 143 -1.342 -30.849 9.718 1.00 47.36 O ATOM 1433 CB THR A 143 -0.639 -31.663 6.534 1.00 53.07 C ATOM 1434 OG1 THR A 143 -1.827 -32.411 6.821 1.00 46.73 O ATOM 1435 CG2 THR A 143 0.271 -32.484 5.608 1.00 50.42 C ATOM 1436 HG1 THR A 143 -2.301 -32.613 5.975 1.00 0.00 H ATOM 1437 H THR A 143 -0.030 -33.481 8.243 1.00 0.00 H ATOM 1438 N PRO A 144 -0.956 -29.173 8.246 1.00 53.36 N ATOM 1439 CA PRO A 144 -1.907 -28.265 8.894 1.00 48.98 C ATOM 1440 C PRO A 144 -3.322 -28.836 8.936 1.00 43.16 C ATOM 1441 O PRO A 144 -3.989 -28.739 9.973 1.00 42.05 O ATOM 1442 CB PRO A 144 -1.849 -27.013 8.014 1.00 45.04 C ATOM 1443 CG PRO A 144 -0.485 -27.022 7.438 1.00 53.68 C ATOM 1444 CD PRO A 144 -0.130 -28.478 7.242 1.00 54.24 C ATOM 1445 N GLN A 145 -3.768 -29.425 7.827 1.00 49.10 N ATOM 1446 CA GLN A 145 -5.110 -30.003 7.755 1.00 50.42 C ATOM 1447 C GLN A 145 -5.296 -31.120 8.771 1.00 46.08 C ATOM 1448 O GLN A 145 -6.346 -31.223 9.412 1.00 38.86 O ATOM 1449 CB GLN A 145 -5.401 -30.527 6.352 1.00 44.38 C ATOM 1450 CG GLN A 145 -5.362 -29.453 5.307 1.00 59.47 C ATOM 1451 CD GLN A 145 -6.182 -29.821 4.084 1.00 61.48 C ATOM 1452 OE1 GLN A 145 -6.687 -30.948 3.974 1.00 56.96 O ATOM 1453 NE2 GLN A 145 -6.328 -28.872 3.159 1.00 66.87 N ATOM 1454 HE22 GLN A 145 -5.885 -27.941 3.295 1.00 0.00 H ATOM 1455 HE21 GLN A 145 -6.885 -29.063 2.301 1.00 0.00 H ATOM 1456 H GLN A 145 -3.148 -29.475 6.994 1.00 0.00 H ATOM 1457 N LYS A 146 -4.276 -31.953 8.953 1.00 47.31 N ATOM 1458 CA LYS A 146 -4.391 -33.032 9.924 1.00 39.93 C ATOM 1459 C LYS A 146 -4.351 -32.526 11.365 1.00 33.49 C ATOM 1460 O LYS A 146 -5.040 -33.062 12.228 1.00 37.59 O ATOM 1461 CB LYS A 146 -3.287 -34.070 9.697 1.00 51.26 C ATOM 1462 CG LYS A 146 -3.556 -34.964 8.478 1.00 51.15 C ATOM 1463 CD LYS A 146 -4.217 -36.298 8.844 1.00 62.41 C ATOM 1464 CE LYS A 146 -3.518 -37.459 8.130 1.00 61.23 C ATOM 1465 NZ LYS A 146 -3.927 -38.829 8.574 1.00 70.75 N ATOM 1466 HZ1 LYS A 146 -3.720 -38.940 9.587 1.00 0.00 H ATOM 1467 HZ2 LYS A 146 -4.946 -38.955 8.411 1.00 0.00 H ATOM 1468 HZ3 LYS A 146 -3.397 -39.541 8.031 1.00 0.00 H ATOM 1469 H LYS A 146 -3.400 -31.835 8.405 1.00 0.00 H ATOM 1470 N ARG A 147 -3.571 -31.488 11.651 1.00 37.83 N ATOM 1471 CA ARG A 147 -3.531 -30.972 13.020 1.00 37.88 C ATOM 1472 C ARG A 147 -4.846 -30.242 13.352 1.00 37.68 C ATOM 1473 O ARG A 147 -5.371 -30.333 14.476 1.00 40.54 O ATOM 1474 CB ARG A 147 -2.330 -30.038 13.231 1.00 48.16 C ATOM 1475 CG ARG A 147 -0.983 -30.770 13.262 1.00 46.15 C ATOM 1476 CD ARG A 147 0.131 -29.882 13.764 1.00 53.18 C ATOM 1477 NE ARG A 147 0.253 -28.644 12.992 1.00 61.18 N ATOM 1478 CZ ARG A 147 0.954 -28.517 11.867 1.00 60.65 C ATOM 1479 NH1 ARG A 147 1.606 -29.556 11.351 1.00 65.94 N ATOM 1480 NH2 ARG A 147 1.006 -27.341 11.250 1.00 62.23 N ATOM 1481 HE ARG A 147 -0.244 -27.803 13.348 1.00 0.00 H ATOM 1482 HH12 ARG A 147 2.150 -29.444 10.472 1.00 0.00 H ATOM 1483 HH11 ARG A 147 1.572 -30.480 11.827 1.00 0.00 H ATOM 1484 HH22 ARG A 147 1.553 -27.239 10.371 1.00 0.00 H ATOM 1485 HH21 ARG A 147 0.500 -26.523 11.646 1.00 0.00 H ATOM 1486 H ARG A 147 -2.994 -31.046 10.907 1.00 0.00 H ATOM 1487 N VAL A 148 -5.369 -29.535 12.359 1.00 41.24 N ATOM 1488 CA VAL A 148 -6.693 -28.914 12.446 1.00 41.23 C ATOM 1489 C VAL A 148 -7.786 -29.954 12.663 1.00 39.82 C ATOM 1490 O VAL A 148 -8.658 -29.764 13.509 1.00 34.52 O ATOM 1491 CB VAL A 148 -6.965 -28.098 11.188 1.00 37.65 C ATOM 1492 CG1 VAL A 148 -8.476 -27.866 10.992 1.00 36.82 C ATOM 1493 CG2 VAL A 148 -6.189 -26.792 11.258 1.00 45.22 C ATOM 1494 H VAL A 148 -4.818 -29.417 11.485 1.00 0.00 H ATOM 1495 N ASP A 149 -7.747 -31.050 11.906 1.00 33.39 N ATOM 1496 CA ASP A 149 -8.694 -32.127 12.122 1.00 34.60 C ATOM 1497 C ASP A 149 -8.725 -32.560 13.574 1.00 34.03 C ATOM 1498 O ASP A 149 -9.786 -32.850 14.112 1.00 36.42 O ATOM 1499 CB ASP A 149 -8.351 -33.340 11.278 1.00 35.00 C ATOM 1500 CG ASP A 149 -8.772 -33.193 9.840 1.00 46.55 C ATOM 1501 OD1 ASP A 149 -9.642 -32.349 9.545 1.00 47.48 O ATOM 1502 OD2 ASP A 149 -8.229 -33.935 8.991 1.00 54.51 O ATOM 1503 H ASP A 149 -7.032 -31.134 11.155 1.00 0.00 H ATOM 1504 N LYS A 150 -7.564 -32.634 14.216 1.00 39.28 N ATOM 1505 CA LYS A 150 -7.547 -33.103 15.595 1.00 37.65 C ATOM 1506 C LYS A 150 -8.156 -32.063 16.519 1.00 35.35 C ATOM 1507 O LYS A 150 -8.892 -32.405 17.444 1.00 35.33 O ATOM 1508 CB LYS A 150 -6.132 -33.467 16.038 1.00 40.77 C ATOM 1509 CG LYS A 150 -5.498 -34.584 15.178 1.00 56.01 C ATOM 1510 CD LYS A 150 -6.356 -35.871 15.071 1.00 54.32 C ATOM 1511 CE LYS A 150 -6.372 -36.677 16.365 1.00 71.87 C ATOM 1512 NZ LYS A 150 -7.148 -37.966 16.248 1.00 69.06 N ATOM 1513 HZ1 LYS A 150 -8.134 -37.754 15.995 1.00 0.00 H ATOM 1514 HZ2 LYS A 150 -6.720 -38.561 15.510 1.00 0.00 H ATOM 1515 HZ3 LYS A 150 -7.122 -38.468 17.158 1.00 0.00 H ATOM 1516 H LYS A 150 -6.680 -32.361 13.741 1.00 0.00 H ATOM 1517 N ILE A 151 -7.864 -30.795 16.267 1.00 32.20 N ATOM 1518 CA ILE A 151 -8.453 -29.727 17.045 1.00 30.43 C ATOM 1519 C ILE A 151 -9.970 -29.718 16.833 1.00 25.51 C ATOM 1520 O ILE A 151 -10.735 -29.640 17.796 1.00 31.24 O ATOM 1521 CB ILE A 151 -7.825 -28.375 16.666 1.00 35.85 C ATOM 1522 CG1 ILE A 151 -6.345 -28.361 17.051 1.00 40.73 C ATOM 1523 CG2 ILE A 151 -8.574 -27.212 17.334 1.00 35.24 C ATOM 1524 CD1 ILE A 151 -5.567 -27.138 16.525 1.00 39.98 C ATOM 1525 H ILE A 151 -7.202 -30.564 15.499 1.00 0.00 H ATOM 1526 N PHE A 152 -10.389 -29.816 15.574 1.00 28.71 N ATOM 1527 CA PHE A 152 -11.811 -29.847 15.238 1.00 28.48 C ATOM 1528 C PHE A 152 -12.501 -30.995 15.955 1.00 33.65 C ATOM 1529 O PHE A 152 -13.531 -30.805 16.600 1.00 31.05 O ATOM 1530 CB PHE A 152 -11.972 -29.955 13.737 1.00 30.54 C ATOM 1531 CG PHE A 152 -13.379 -29.812 13.245 1.00 32.73 C ATOM 1532 CD1 PHE A 152 -14.264 -30.866 13.329 1.00 30.82 C ATOM 1533 CD2 PHE A 152 -13.802 -28.626 12.640 1.00 34.96 C ATOM 1534 CE1 PHE A 152 -15.546 -30.743 12.879 1.00 30.78 C ATOM 1535 CE2 PHE A 152 -15.086 -28.502 12.160 1.00 30.88 C ATOM 1536 CZ PHE A 152 -15.959 -29.564 12.280 1.00 29.77 C ATOM 1537 H PHE A 152 -9.686 -29.872 14.809 1.00 0.00 H ATOM 1538 N ASP A 153 -11.898 -32.184 15.896 1.00 29.27 N ATOM 1539 CA ASP A 153 -12.548 -33.369 16.441 1.00 32.83 C ATOM 1540 C ASP A 153 -12.777 -33.176 17.910 1.00 29.17 C ATOM 1541 O ASP A 153 -13.837 -33.532 18.444 1.00 36.56 O ATOM 1542 CB ASP A 153 -11.713 -34.638 16.183 1.00 35.73 C ATOM 1543 CG ASP A 153 -11.667 -35.024 14.706 1.00 43.12 C ATOM 1544 OD1 ASP A 153 -12.574 -34.606 13.948 1.00 56.02 O ATOM 1545 OD2 ASP A 153 -10.728 -35.752 14.295 1.00 58.33 O ATOM 1546 H ASP A 153 -10.958 -32.265 15.458 1.00 0.00 H ATOM 1547 N GLN A 154 -11.799 -32.592 18.585 1.00 27.87 N ATOM 1548 CA GLN A 154 -11.936 -32.350 19.996 1.00 31.71 C ATOM 1549 C GLN A 154 -13.026 -31.336 20.362 1.00 35.47 C ATOM 1550 O GLN A 154 -13.638 -31.448 21.427 1.00 33.35 O ATOM 1551 CB GLN A 154 -10.608 -31.886 20.582 1.00 35.37 C ATOM 1552 CG GLN A 154 -10.652 -31.827 22.089 1.00 44.18 C ATOM 1553 CD GLN A 154 -11.330 -33.063 22.701 1.00 64.07 C ATOM 1554 OE1 GLN A 154 -12.316 -32.951 23.442 1.00 66.11 O ATOM 1555 NE2 GLN A 154 -10.809 -34.243 22.380 1.00 57.06 N ATOM 1556 HE22 GLN A 154 -9.980 -34.292 21.754 1.00 0.00 H ATOM 1557 HE21 GLN A 154 -11.230 -35.117 22.755 1.00 0.00 H ATOM 1558 H GLN A 154 -10.928 -32.307 18.093 1.00 0.00 H ATOM 1559 N MET A 155 -13.274 -30.358 19.497 1.00 31.18 N ATOM 1560 CA MET A 155 -14.341 -29.387 19.733 1.00 31.48 C ATOM 1561 C MET A 155 -15.720 -29.916 19.331 1.00 27.36 C ATOM 1562 O MET A 155 -16.746 -29.477 19.868 1.00 28.26 O ATOM 1563 CB MET A 155 -14.039 -28.101 18.958 1.00 25.96 C ATOM 1564 CG MET A 155 -12.791 -27.415 19.384 1.00 30.15 C ATOM 1565 SD MET A 155 -12.847 -25.770 18.634 1.00 31.80 S ATOM 1566 CE MET A 155 -11.303 -25.085 19.225 1.00 29.93 C ATOM 1567 H MET A 155 -12.697 -30.282 18.635 1.00 0.00 H ATOM 1568 N ASP A 156 -15.745 -30.871 18.402 1.00 28.59 N ATOM 1569 CA ASP A 156 -16.997 -31.378 17.836 1.00 29.74 C ATOM 1570 C ASP A 156 -17.584 -32.450 18.759 1.00 35.85 C ATOM 1571 O ASP A 156 -17.446 -33.646 18.492 1.00 34.40 O ATOM 1572 CB ASP A 156 -16.759 -31.928 16.437 1.00 30.05 C ATOM 1573 CG ASP A 156 -18.035 -32.382 15.757 1.00 28.44 C ATOM 1574 OD1 ASP A 156 -19.132 -32.037 16.258 1.00 28.96 O ATOM 1575 OD2 ASP A 156 -17.935 -33.082 14.720 1.00 32.22 O ATOM 1576 H ASP A 156 -14.845 -31.270 18.067 1.00 0.00 H ATOM 1577 N LYS A 157 -18.257 -31.999 19.818 1.00 28.73 N ATOM 1578 CA LYS A 157 -18.696 -32.858 20.927 1.00 37.73 C ATOM 1579 C LYS A 157 -19.746 -33.892 20.554 1.00 36.43 C ATOM 1580 O LYS A 157 -19.811 -34.952 21.179 1.00 39.40 O ATOM 1581 CB LYS A 157 -19.253 -32.007 22.082 1.00 36.61 C ATOM 1582 CG LYS A 157 -18.214 -31.276 22.914 1.00 41.84 C ATOM 1583 CD LYS A 157 -17.220 -32.230 23.566 1.00 52.73 C ATOM 1584 CE LYS A 157 -16.221 -31.495 24.435 1.00 53.07 C ATOM 1585 NZ LYS A 157 -15.494 -30.469 23.647 1.00 58.50 N ATOM 1586 HZ1 LYS A 157 -14.985 -30.930 22.866 1.00 0.00 H ATOM 1587 HZ2 LYS A 157 -16.174 -29.783 23.262 1.00 0.00 H ATOM 1588 HZ3 LYS A 157 -14.815 -29.978 24.263 1.00 0.00 H ATOM 1589 H LYS A 157 -18.483 -30.985 19.862 1.00 0.00 H ATOM 1590 N ASN A 158 -20.577 -33.616 19.562 1.00 34.90 N ATOM 1591 CA ASN A 158 -21.564 -34.607 19.125 1.00 37.37 C ATOM 1592 C ASN A 158 -21.221 -35.240 17.790 1.00 38.77 C ATOM 1593 O ASN A 158 -22.056 -35.908 17.161 1.00 38.59 O ATOM 1594 CB ASN A 158 -22.944 -33.979 19.062 1.00 35.78 C ATOM 1595 CG ASN A 158 -23.059 -32.886 18.025 1.00 38.60 C ATOM 1596 OD1 ASN A 158 -22.093 -32.515 17.340 1.00 28.19 O ATOM 1597 ND2 ASN A 158 -24.271 -32.389 17.876 1.00 39.05 N ATOM 1598 HD22 ASN A 158 -25.050 -32.731 18.474 1.00 0.00 H ATOM 1599 HD21 ASN A 158 -24.448 -31.655 17.161 1.00 0.00 H ATOM 1600 H ASN A 158 -20.529 -32.691 19.090 1.00 0.00 H ATOM 1601 N HIS A 159 -19.980 -35.038 17.367 1.00 35.62 N ATOM 1602 CA HIS A 159 -19.420 -35.701 16.194 1.00 31.07 C ATOM 1603 C HIS A 159 -20.298 -35.707 14.968 1.00 43.46 C ATOM 1604 O HIS A 159 -20.426 -36.730 14.286 1.00 43.76 O ATOM 1605 CB HIS A 159 -19.070 -37.155 16.555 1.00 36.39 C ATOM 1606 CG HIS A 159 -18.456 -37.276 17.902 1.00 26.62 C ATOM 1607 ND1 HIS A 159 -17.106 -37.132 18.125 1.00 36.77 N ATOM 1608 CD2 HIS A 159 -19.016 -37.469 19.131 1.00 28.80 C ATOM 1609 CE1 HIS A 159 -16.854 -37.233 19.423 1.00 34.96 C ATOM 1610 NE2 HIS A 159 -18.004 -37.463 20.038 1.00 39.02 N ATOM 1611 H HIS A 159 -19.378 -34.376 17.896 1.00 0.00 H ATOM 1612 N ASP A 160 -20.885 -34.559 14.651 1.00 30.07 N ATOM 1613 CA ASP A 160 -21.662 -34.447 13.441 1.00 33.84 C ATOM 1614 C ASP A 160 -20.889 -33.719 12.352 1.00 27.62 C ATOM 1615 O ASP A 160 -21.442 -33.373 11.307 1.00 37.19 O ATOM 1616 CB ASP A 160 -22.990 -33.770 13.741 1.00 32.36 C ATOM 1617 CG ASP A 160 -22.825 -32.352 14.219 1.00 36.43 C ATOM 1618 OD1 ASP A 160 -21.669 -31.962 14.457 1.00 32.28 O ATOM 1619 OD2 ASP A 160 -23.854 -31.662 14.385 1.00 44.68 O ATOM 1620 H ASP A 160 -20.784 -33.736 15.279 1.00 0.00 H ATOM 1621 N ASP A 161 -19.595 -33.491 12.588 1.00 31.40 N ATOM 1622 CA ASP A 161 -18.693 -32.939 11.581 1.00 30.24 C ATOM 1623 C ASP A 161 -18.953 -31.466 11.322 1.00 26.17 C ATOM 1624 O ASP A 161 -18.643 -30.933 10.255 1.00 27.62 O ATOM 1625 CB ASP A 161 -18.787 -33.690 10.248 1.00 41.98 C ATOM 1626 CG ASP A 161 -17.832 -34.865 10.169 1.00 53.16 C ATOM 1627 OD1 ASP A 161 -16.715 -34.767 10.727 1.00 46.61 O ATOM 1628 OD2 ASP A 161 -18.207 -35.881 9.539 1.00 59.11 O ATOM 1629 H ASP A 161 -19.213 -33.716 13.529 1.00 0.00 H ATOM 1630 N ARG A 162 -19.506 -30.817 12.319 1.00 30.19 N ATOM 1631 CA ARG A 162 -19.712 -29.372 12.232 1.00 24.62 C ATOM 1632 C ARG A 162 -19.690 -28.779 13.649 1.00 23.79 C ATOM 1633 O ARG A 162 -20.030 -29.436 14.613 1.00 25.81 O ATOM 1634 CB ARG A 162 -21.019 -29.058 11.490 1.00 32.18 C ATOM 1635 CG ARG A 162 -22.200 -29.775 11.992 1.00 34.66 C ATOM 1636 CD ARG A 162 -23.358 -29.616 11.011 1.00 32.20 C ATOM 1637 NE ARG A 162 -24.561 -30.097 11.650 1.00 38.90 N ATOM 1638 CZ ARG A 162 -25.787 -29.836 11.213 1.00 34.63 C ATOM 1639 NH1 ARG A 162 -25.959 -29.083 10.132 1.00 40.60 N ATOM 1640 NH2 ARG A 162 -26.823 -30.319 11.878 1.00 44.43 N ATOM 1641 HE ARG A 162 -24.461 -30.683 12.503 1.00 0.00 H ATOM 1642 HH12 ARG A 162 -26.919 -28.878 9.789 1.00 0.00 H ATOM 1643 HH11 ARG A 162 -25.134 -28.699 9.629 1.00 0.00 H ATOM 1644 HH22 ARG A 162 -27.790 -30.123 11.548 1.00 0.00 H ATOM 1645 HH21 ARG A 162 -26.671 -30.895 12.731 1.00 0.00 H ATOM 1646 H ARG A 162 -19.799 -31.332 13.174 1.00 0.00 H ATOM 1647 N LEU A 163 -19.268 -27.516 13.775 1.00 23.17 N ATOM 1648 CA LEU A 163 -19.191 -26.873 15.063 1.00 23.07 C ATOM 1649 C LEU A 163 -20.246 -25.783 15.172 1.00 20.84 C ATOM 1650 O LEU A 163 -20.372 -24.952 14.279 1.00 24.17 O ATOM 1651 CB LEU A 163 -17.821 -26.224 15.300 1.00 24.61 C ATOM 1652 CG LEU A 163 -16.588 -27.115 15.145 1.00 24.65 C ATOM 1653 CD1 LEU A 163 -15.345 -26.325 15.516 1.00 24.76 C ATOM 1654 CD2 LEU A 163 -16.700 -28.368 16.025 1.00 26.95 C ATOM 1655 H LEU A 163 -18.989 -26.986 12.925 1.00 0.00 H ATOM 1656 N THR A 164 -21.010 -25.847 16.243 1.00 23.30 N ATOM 1657 CA THR A 164 -21.913 -24.769 16.570 1.00 23.56 C ATOM 1658 C THR A 164 -21.092 -23.663 17.205 1.00 22.19 C ATOM 1659 O THR A 164 -19.944 -23.870 17.597 1.00 22.39 O ATOM 1660 CB THR A 164 -22.960 -25.217 17.543 1.00 24.23 C ATOM 1661 OG1 THR A 164 -22.301 -25.634 18.751 1.00 24.52 O ATOM 1662 CG2 THR A 164 -23.821 -26.339 16.956 1.00 26.49 C ATOM 1663 HG1 THR A 164 -22.978 -25.934 19.408 1.00 0.00 H ATOM 1664 H THR A 164 -20.962 -26.683 16.860 1.00 0.00 H ATOM 1665 N LEU A 165 -21.690 -22.489 17.376 1.00 22.42 N ATOM 1666 CA LEU A 165 -21.035 -21.450 18.149 1.00 22.70 C ATOM 1667 C LEU A 165 -20.645 -21.907 19.557 1.00 22.23 C ATOM 1668 O LEU A 165 -19.528 -21.626 20.006 1.00 25.40 O ATOM 1669 CB LEU A 165 -21.947 -20.231 18.247 1.00 21.47 C ATOM 1670 CG LEU A 165 -21.507 -19.090 19.140 1.00 25.47 C ATOM 1671 CD1 LEU A 165 -20.156 -18.550 18.758 1.00 22.12 C ATOM 1672 CD2 LEU A 165 -22.574 -17.985 19.110 1.00 23.37 C ATOM 1673 H LEU A 165 -22.626 -22.315 16.957 1.00 0.00 H ATOM 1674 N GLU A 166 -21.556 -22.614 20.237 1.00 23.67 N ATOM 1675 CA GLU A 166 -21.282 -23.128 21.589 1.00 25.69 C ATOM 1676 C GLU A 166 -20.105 -24.095 21.567 1.00 25.35 C ATOM 1677 O GLU A 166 -19.217 -23.989 22.427 1.00 28.45 O ATOM 1678 CB GLU A 166 -22.516 -23.781 22.181 1.00 32.75 C ATOM 1679 CG GLU A 166 -22.192 -24.698 23.355 1.00 48.50 C ATOM 1680 CD GLU A 166 -23.365 -24.902 24.313 1.00 72.30 C ATOM 1681 OE1 GLU A 166 -24.532 -24.784 23.863 1.00 80.51 O ATOM 1682 OE2 GLU A 166 -23.119 -25.175 25.520 1.00 73.40 O ATOM 1683 H GLU A 166 -22.480 -22.805 19.799 1.00 0.00 H ATOM 1684 N GLU A 167 -20.045 -24.995 20.597 1.00 23.64 N ATOM 1685 CA GLU A 167 -18.907 -25.913 20.547 1.00 23.97 C ATOM 1686 C GLU A 167 -17.607 -25.190 20.288 1.00 26.79 C ATOM 1687 O GLU A 167 -16.597 -25.476 20.911 1.00 26.50 O ATOM 1688 CB GLU A 167 -19.097 -26.967 19.486 1.00 25.94 C ATOM 1689 CG GLU A 167 -20.194 -27.989 19.783 1.00 29.01 C ATOM 1690 CD GLU A 167 -20.498 -28.919 18.607 1.00 26.00 C ATOM 1691 OE1 GLU A 167 -20.548 -28.499 17.417 1.00 24.55 O ATOM 1692 OE2 GLU A 167 -20.704 -30.142 18.861 1.00 31.02 O ATOM 1693 H GLU A 167 -20.797 -25.048 19.880 1.00 0.00 H ATOM 1694 N PHE A 168 -17.606 -24.254 19.349 1.00 25.78 N ATOM 1695 CA PHE A 168 -16.399 -23.503 19.060 1.00 23.72 C ATOM 1696 C PHE A 168 -16.001 -22.619 20.239 1.00 24.25 C ATOM 1697 O PHE A 168 -14.821 -22.513 20.585 1.00 27.13 O ATOM 1698 CB PHE A 168 -16.623 -22.658 17.824 1.00 24.86 C ATOM 1699 CG PHE A 168 -15.479 -21.803 17.470 1.00 23.28 C ATOM 1700 CD1 PHE A 168 -14.396 -22.325 16.805 1.00 28.47 C ATOM 1701 CD2 PHE A 168 -15.487 -20.448 17.795 1.00 24.74 C ATOM 1702 CE1 PHE A 168 -13.337 -21.519 16.452 1.00 29.01 C ATOM 1703 CE2 PHE A 168 -14.440 -19.653 17.446 1.00 24.33 C ATOM 1704 CZ PHE A 168 -13.356 -20.170 16.799 1.00 26.35 C ATOM 1705 H PHE A 168 -18.477 -24.057 18.816 1.00 0.00 H ATOM 1706 N ARG A 169 -16.975 -21.989 20.876 1.00 25.05 N ATOM 1707 CA ARG A 169 -16.616 -21.039 21.920 1.00 32.62 C ATOM 1708 C ARG A 169 -16.055 -21.785 23.126 1.00 31.89 C ATOM 1709 O ARG A 169 -14.976 -21.457 23.603 1.00 33.22 O ATOM 1710 CB ARG A 169 -17.805 -20.175 22.311 1.00 34.76 C ATOM 1711 CG ARG A 169 -17.424 -19.065 23.265 1.00 33.93 C ATOM 1712 CD ARG A 169 -18.230 -17.814 22.980 1.00 38.42 C ATOM 1713 NE ARG A 169 -19.667 -18.087 23.005 1.00 36.85 N ATOM 1714 CZ ARG A 169 -20.594 -17.185 22.708 1.00 36.99 C ATOM 1715 NH1 ARG A 169 -20.224 -15.948 22.359 1.00 42.35 N ATOM 1716 NH2 ARG A 169 -21.881 -17.523 22.761 1.00 29.88 N ATOM 1717 HE ARG A 169 -19.980 -19.043 23.271 1.00 0.00 H ATOM 1718 HH12 ARG A 169 -20.945 -15.236 22.125 1.00 0.00 H ATOM 1719 HH11 ARG A 169 -19.215 -15.698 22.322 1.00 0.00 H ATOM 1720 HH22 ARG A 169 -22.613 -16.821 22.530 1.00 0.00 H ATOM 1721 HH21 ARG A 169 -22.154 -18.489 23.034 1.00 0.00 H ATOM 1722 H ARG A 169 -17.971 -22.168 20.637 1.00 0.00 H ATOM 1723 N GLU A 170 -16.755 -22.819 23.576 1.00 32.11 N ATOM 1724 CA GLU A 170 -16.283 -23.628 24.691 1.00 37.80 C ATOM 1725 C GLU A 170 -15.036 -24.423 24.303 1.00 37.67 C ATOM 1726 O GLU A 170 -14.105 -24.546 25.100 1.00 38.23 O ATOM 1727 CB GLU A 170 -17.394 -24.557 25.168 1.00 39.08 C ATOM 1728 CG GLU A 170 -18.586 -23.816 25.841 1.00 42.00 C ATOM 1729 CD GLU A 170 -18.170 -22.816 26.932 1.00 50.44 C ATOM 1730 OE1 GLU A 170 -17.380 -23.180 27.832 1.00 54.41 O ATOM 1731 OE2 GLU A 170 -18.632 -21.650 26.877 1.00 61.85 O ATOM 1732 H GLU A 170 -17.660 -23.057 23.122 1.00 0.00 H ATOM 1733 N GLY A 171 -15.009 -24.937 23.077 1.00 29.73 N ATOM 1734 CA GLY A 171 -13.850 -25.630 22.558 1.00 32.32 C ATOM 1735 C GLY A 171 -12.609 -24.749 22.587 1.00 35.13 C ATOM 1736 O GLY A 171 -11.514 -25.213 22.898 1.00 32.58 O ATOM 1737 H GLY A 171 -15.849 -24.838 22.471 1.00 0.00 H ATOM 1738 N SER A 172 -12.774 -23.471 22.276 1.00 27.15 N ATOM 1739 CA SER A 172 -11.649 -22.553 22.204 1.00 26.86 C ATOM 1740 C SER A 172 -11.170 -22.086 23.581 1.00 35.75 C ATOM 1741 O SER A 172 -10.032 -21.640 23.736 1.00 39.53 O ATOM 1742 CB SER A 172 -12.013 -21.341 21.357 1.00 23.74 C ATOM 1743 OG SER A 172 -12.103 -21.664 19.992 1.00 29.25 O ATOM 1744 HG SER A 172 -11.231 -22.012 19.678 1.00 0.00 H ATOM 1745 H SER A 172 -13.732 -23.116 22.079 1.00 0.00 H ATOM 1746 N LYS A 173 -12.039 -22.154 24.570 1.00 30.54 N ATOM 1747 CA LYS A 173 -11.622 -21.778 25.917 1.00 33.41 C ATOM 1748 C LYS A 173 -10.676 -22.858 26.453 1.00 38.73 C ATOM 1749 O LYS A 173 -9.781 -22.558 27.237 1.00 48.38 O ATOM 1750 CB LYS A 173 -12.828 -21.560 26.820 1.00 37.20 C ATOM 1751 CG LYS A 173 -13.535 -20.271 26.487 1.00 34.60 C ATOM 1752 CD LYS A 173 -14.839 -20.101 27.232 1.00 40.71 C ATOM 1753 CE LYS A 173 -15.523 -18.793 26.844 1.00 39.17 C ATOM 1754 NZ LYS A 173 -16.863 -18.632 27.486 1.00 43.42 N ATOM 1755 HZ1 LYS A 173 -17.482 -19.415 27.195 1.00 0.00 H ATOM 1756 HZ2 LYS A 173 -16.754 -18.641 28.520 1.00 0.00 H ATOM 1757 HZ3 LYS A 173 -17.282 -17.728 27.188 1.00 0.00 H ATOM 1758 H LYS A 173 -13.013 -22.473 24.392 1.00 0.00 H ATOM 1759 N ALA A 174 -10.832 -24.093 25.989 1.00 41.37 N ATOM 1760 CA ALA A 174 -9.949 -25.191 26.406 1.00 40.19 C ATOM 1761 C ALA A 174 -8.743 -25.374 25.465 1.00 51.74 C ATOM 1762 O ALA A 174 -7.705 -25.906 25.861 1.00 50.36 O ATOM 1763 CB ALA A 174 -10.741 -26.477 26.503 1.00 43.96 C ATOM 1764 H ALA A 174 -11.598 -24.288 25.314 1.00 0.00 H ATOM 1765 N ASP A 175 -8.889 -24.940 24.217 1.00 40.62 N ATOM 1766 CA ASP A 175 -7.821 -25.003 23.231 1.00 37.91 C ATOM 1767 C ASP A 175 -7.948 -23.737 22.396 1.00 34.27 C ATOM 1768 O ASP A 175 -8.665 -23.734 21.389 1.00 37.14 O ATOM 1769 CB ASP A 175 -7.943 -26.269 22.367 1.00 40.23 C ATOM 1770 CG ASP A 175 -6.783 -26.440 21.374 1.00 45.09 C ATOM 1771 OD1 ASP A 175 -5.968 -25.496 21.190 1.00 43.35 O ATOM 1772 OD2 ASP A 175 -6.696 -27.524 20.758 1.00 47.63 O ATOM 1773 H ASP A 175 -9.805 -24.538 23.933 1.00 0.00 H ATOM 1774 N PRO A 176 -7.270 -22.656 22.814 1.00 41.75 N ATOM 1775 CA PRO A 176 -7.441 -21.363 22.151 1.00 36.56 C ATOM 1776 C PRO A 176 -6.648 -21.200 20.850 1.00 38.96 C ATOM 1777 O PRO A 176 -6.541 -20.079 20.354 1.00 35.63 O ATOM 1778 CB PRO A 176 -6.949 -20.368 23.212 1.00 42.77 C ATOM 1779 CG PRO A 176 -5.963 -21.122 24.003 1.00 40.93 C ATOM 1780 CD PRO A 176 -6.441 -22.539 24.030 1.00 43.74 C ATOM 1781 N ARG A 177 -6.112 -22.280 20.292 1.00 35.28 N ATOM 1782 CA ARG A 177 -5.199 -22.155 19.156 1.00 32.79 C ATOM 1783 C ARG A 177 -5.863 -21.610 17.885 1.00 38.42 C ATOM 1784 O ARG A 177 -5.209 -20.921 17.108 1.00 36.24 O ATOM 1785 CB ARG A 177 -4.539 -23.510 18.848 1.00 38.16 C ATOM 1786 CG ARG A 177 -3.255 -23.727 19.657 1.00 44.90 C ATOM 1787 CD ARG A 177 -2.586 -25.053 19.319 1.00 42.63 C ATOM 1788 NE ARG A 177 -3.448 -26.174 19.674 1.00 41.27 N ATOM 1789 CZ ARG A 177 -3.246 -27.430 19.285 1.00 46.41 C ATOM 1790 NH1 ARG A 177 -2.216 -27.729 18.499 1.00 53.64 N ATOM 1791 NH2 ARG A 177 -4.087 -28.381 19.661 1.00 48.96 N ATOM 1792 HE ARG A 177 -4.276 -25.979 20.272 1.00 0.00 H ATOM 1793 HH12 ARG A 177 -2.061 -28.712 18.197 1.00 0.00 H ATOM 1794 HH11 ARG A 177 -1.566 -26.980 18.187 1.00 0.00 H ATOM 1795 HH22 ARG A 177 -3.930 -29.363 19.358 1.00 0.00 H ATOM 1796 HH21 ARG A 177 -4.904 -28.146 20.260 1.00 0.00 H ATOM 1797 H ARG A 177 -6.344 -23.222 20.666 1.00 0.00 H ATOM 1798 N MET A 178 -7.139 -21.900 17.659 1.00 34.24 N ATOM 1799 CA MET A 178 -7.786 -21.415 16.441 1.00 29.91 C ATOM 1800 C MET A 178 -8.139 -19.936 16.516 1.00 35.50 C ATOM 1801 O MET A 178 -8.302 -19.280 15.483 1.00 35.04 O ATOM 1802 CB MET A 178 -9.055 -22.219 16.134 1.00 30.45 C ATOM 1803 CG MET A 178 -8.825 -23.697 15.957 1.00 31.33 C ATOM 1804 SD MET A 178 -7.456 -24.094 14.860 1.00 35.14 S ATOM 1805 CE MET A 178 -8.067 -23.579 13.255 1.00 32.07 C ATOM 1806 H MET A 178 -7.675 -22.469 18.345 1.00 0.00 H ATOM 1807 N VAL A 179 -8.259 -19.401 17.718 1.00 33.05 N ATOM 1808 CA VAL A 179 -8.547 -17.967 17.862 1.00 33.97 C ATOM 1809 C VAL A 179 -7.270 -17.181 18.140 1.00 43.58 C ATOM 1810 O VAL A 179 -7.176 -15.992 17.808 1.00 49.96 O ATOM 1811 CB VAL A 179 -9.598 -17.731 18.934 1.00 37.79 C ATOM 1812 CG1 VAL A 179 -10.870 -18.461 18.530 1.00 39.83 C ATOM 1813 CG2 VAL A 179 -9.112 -18.176 20.304 1.00 38.47 C ATOM 1814 H VAL A 179 -8.149 -19.996 18.564 1.00 0.00 H ATOM 1815 N GLN A 180 -6.275 -17.834 18.728 1.00 43.40 N ATOM 1816 CA GLN A 180 -4.975 -17.205 18.884 1.00 44.05 C ATOM 1817 C GLN A 180 -4.377 -16.994 17.488 1.00 46.40 C ATOM 1818 O GLN A 180 -3.639 -16.028 17.259 1.00 47.72 O ATOM 1819 CB GLN A 180 -4.074 -18.046 19.788 1.00 44.16 C ATOM 1820 CG GLN A 180 -4.453 -17.903 21.258 1.00 53.39 C ATOM 1821 CD GLN A 180 -3.711 -18.854 22.169 1.00 53.71 C ATOM 1822 OE1 GLN A 180 -3.014 -19.766 21.713 1.00 59.71 O ATOM 1823 NE2 GLN A 180 -3.863 -18.647 23.470 1.00 61.10 N ATOM 1824 HE22 GLN A 180 -4.461 -17.865 23.806 1.00 0.00 H ATOM 1825 HE21 GLN A 180 -3.384 -19.267 24.155 1.00 0.00 H ATOM 1826 H GLN A 180 -6.427 -18.801 19.079 1.00 0.00 H ATOM 1827 N ALA A 181 -4.763 -17.860 16.545 1.00 41.03 N ATOM 1828 CA ALA A 181 -4.309 -17.771 15.158 1.00 44.11 C ATOM 1829 C ALA A 181 -4.804 -16.475 14.466 1.00 49.18 C ATOM 1830 O ALA A 181 -4.236 -16.043 13.462 1.00 47.16 O ATOM 1831 CB ALA A 181 -4.768 -19.012 14.378 1.00 42.80 C ATOM 1832 H ALA A 181 -5.413 -18.628 16.809 1.00 0.00 H ATOM 1833 N LEU A 182 -5.853 -15.874 15.031 1.00 55.52 N ATOM 1834 CA LEU A 182 -6.385 -14.570 14.600 1.00 51.46 C ATOM 1835 C LEU A 182 -5.999 -13.454 15.581 1.00 54.71 C ATOM 1836 O LEU A 182 -6.430 -12.303 15.436 1.00 62.16 O ATOM 1837 CB LEU A 182 -7.911 -14.627 14.496 1.00 48.74 C ATOM 1838 CG LEU A 182 -8.513 -15.922 13.951 1.00 34.29 C ATOM 1839 CD1 LEU A 182 -10.005 -15.907 14.160 1.00 35.91 C ATOM 1840 CD2 LEU A 182 -8.172 -16.027 12.492 1.00 39.82 C ATOM 1841 H LEU A 182 -6.323 -16.356 15.824 1.00 0.00 H ATOM 1842 N SER A 183 -5.207 -13.809 16.587 1.00 52.32 N ATOM 1843 CA SER A 183 -4.861 -12.907 17.685 1.00 55.43 C ATOM 1844 C SER A 183 -6.102 -12.438 18.469 1.00 61.15 C ATOM 1845 O SER A 183 -6.224 -11.252 18.807 1.00 61.61 O ATOM 1846 CB SER A 183 -4.073 -11.700 17.157 1.00 57.92 C ATOM 1847 OG SER A 183 -3.778 -10.794 18.213 1.00 68.27 O ATOM 1848 HG SER A 183 -4.623 -10.474 18.617 1.00 0.00 H ATOM 1849 H SER A 183 -4.815 -14.772 16.594 1.00 0.00 H ATOM 1850 N LEU A 184 -6.998 -13.378 18.785 1.00 51.89 N ATOM 1851 CA LEU A 184 -8.238 -13.067 19.510 1.00 47.35 C ATOM 1852 C LEU A 184 -8.469 -13.955 20.738 1.00 61.45 C ATOM 1853 O LEU A 184 -9.617 -14.271 21.070 1.00 59.55 O ATOM 1854 CB LEU A 184 -9.440 -13.199 18.570 1.00 51.11 C ATOM 1855 CG LEU A 184 -9.630 -12.138 17.475 1.00 49.44 C ATOM 1856 CD1 LEU A 184 -10.852 -12.486 16.627 1.00 45.68 C ATOM 1857 CD2 LEU A 184 -9.757 -10.739 18.078 1.00 50.83 C ATOM 1858 H LEU A 184 -6.811 -14.363 18.508 1.00 0.00 H ATOM 1859 N GLY A 185 -7.391 -14.357 21.407 1.00 56.85 N ATOM 1860 CA GLY A 185 -7.492 -15.179 22.602 1.00 58.37 C ATOM 1861 C GLY A 185 -7.012 -14.476 23.858 1.00 57.46 C ATOM 1862 O GLY A 185 -7.164 -13.256 23.993 1.00 62.42 O ATOM 1863 H GLY A 185 -6.450 -14.075 21.065 1.00 0.00 H TER 1864 GLY A 185 HETATM 1865 CA CA A 1 -21.353 -2.502 4.709 1.00 26.01 CA HETATM 1866 CA CA A 2 -21.031 -30.612 16.391 1.00 27.39 CA HETATM 1867 CA CA A 3 -20.510 -22.760 7.699 1.00 23.45 CA HETATM 1868 O HOH 4 -22.623 8.746 7.425 1.00 55.97 O HETATM 1869 O HOH 5 -19.934 7.778 9.541 1.00 38.52 O HETATM 1870 O HOH 6 -18.699 5.829 6.508 1.00 28.24 O HETATM 1871 O HOH 7 -18.103 8.360 7.458 1.00 34.97 O HETATM 1872 O HOH 8 -23.660 3.145 2.179 1.00 59.70 O HETATM 1873 O HOH 9 -21.492 6.206 6.463 1.00 48.59 O HETATM 1874 O HOH 10 -22.208 9.098 9.993 1.00 33.03 O HETATM 1875 O HOH 11 -17.711 14.784 9.910 1.00 41.85 O HETATM 1876 O HOH 12 -20.755 14.778 14.293 1.00 44.09 O HETATM 1877 O HOH 13 -27.649 0.077 26.177 1.00 61.05 O HETATM 1878 O HOH 14 -25.675 3.129 26.953 1.00 45.79 O HETATM 1879 O HOH 15 -27.410 12.874 12.653 1.00 37.12 O HETATM 1880 O HOH 16 -25.328 15.193 12.588 1.00 44.13 O HETATM 1881 O HOH 17 -23.342 16.763 16.241 1.00 52.09 O HETATM 1882 O HOH 18 -16.856 14.172 23.756 1.00 53.43 O HETATM 1883 O HOH 19 -14.303 15.321 20.438 1.00 47.28 O HETATM 1884 O HOH 20 -30.070 5.914 14.905 1.00 28.22 O HETATM 1885 O HOH 21 -29.676 9.871 17.810 1.00 46.25 O HETATM 1886 O HOH 22 -28.257 6.972 10.267 1.00 46.82 O HETATM 1887 O HOH 23 -25.673 6.329 9.212 1.00 50.05 O HETATM 1888 O HOH 24 -23.644 4.715 9.488 1.00 53.99 O HETATM 1889 O HOH 25 -24.866 6.628 23.034 1.00 38.69 O HETATM 1890 O HOH 26 -28.436 12.533 20.345 1.00 47.96 O HETATM 1891 O HOH 27 -28.635 13.509 17.544 1.00 65.36 O HETATM 1892 O HOH 28 -8.742 2.340 -0.982 1.00 43.25 O HETATM 1893 O HOH 29 -25.704 -2.287 22.844 1.00 46.54 O HETATM 1894 O HOH 30 -25.142 0.846 26.092 1.00 48.55 O HETATM 1895 O HOH 31 -18.233 -3.576 20.896 1.00 27.48 O HETATM 1896 O HOH 32 -19.732 -4.862 22.860 1.00 36.22 O HETATM 1897 O HOH 33 -13.912 3.874 26.415 1.00 26.57 O HETATM 1898 O HOH 34 -17.418 -6.753 28.347 1.00 32.89 O HETATM 1899 O HOH 35 -10.519 -14.767 -1.880 1.00 46.88 O HETATM 1900 O HOH 36 -11.922 9.463 25.469 1.00 34.36 O HETATM 1901 O HOH 37 -15.676 11.528 24.820 1.00 29.99 O HETATM 1902 O HOH 38 -21.906 15.435 21.225 1.00 55.31 O HETATM 1903 O HOH 39 -11.876 13.745 19.285 1.00 35.72 O HETATM 1904 O HOH 40 -9.251 9.934 23.891 1.00 53.68 O HETATM 1905 O HOH 41 -18.855 -8.495 -0.890 1.00 54.59 O HETATM 1906 O HOH 42 -11.093 4.819 26.372 1.00 37.84 O HETATM 1907 O HOH 43 -8.485 7.308 24.420 1.00 44.03 O HETATM 1908 O HOH 44 -14.017 13.740 13.487 1.00 36.47 O HETATM 1909 O HOH 45 -16.053 15.101 14.572 1.00 44.04 O HETATM 1910 O HOH 46 -28.101 2.506 10.252 1.00 45.32 O HETATM 1911 O HOH 47 -8.912 4.628 20.274 1.00 50.62 O HETATM 1912 O HOH 48 -14.017 13.664 10.763 1.00 34.28 O HETATM 1913 O HOH 49 -10.750 14.443 16.797 1.00 44.67 O HETATM 1914 O HOH 50 -12.689 17.253 12.141 1.00 61.54 O HETATM 1915 O HOH 51 -9.732 12.689 3.346 1.00 49.47 O HETATM 1916 O HOH 52 -8.508 5.261 -0.260 1.00 44.10 O HETATM 1917 O HOH 53 -2.388 3.795 5.145 1.00 57.37 O HETATM 1918 O HOH 54 -7.952 3.326 8.650 1.00 57.47 O HETATM 1919 O HOH 55 -13.224 3.808 -1.056 1.00 37.11 O HETATM 1920 O HOH 56 -12.229 6.556 -0.533 1.00 35.51 O HETATM 1921 O HOH 57 -20.352 -27.948 3.956 1.00 60.06 O HETATM 1922 O HOH 58 -15.310 -23.915 0.885 1.00 50.51 O HETATM 1923 O HOH 59 -11.298 1.523 -0.898 1.00 30.51 O HETATM 1924 O HOH 60 -15.873 -3.505 -2.232 1.00 36.57 O HETATM 1925 O HOH 61 -15.165 -10.980 0.393 1.00 47.02 O HETATM 1926 O HOH 62 -14.275 -10.951 -3.715 1.00 46.92 O HETATM 1927 O HOH 63 -10.535 -10.535 -3.431 1.00 44.50 O HETATM 1928 O HOH 64 -17.139 -7.021 -2.644 1.00 57.12 O HETATM 1929 O HOH 65 -8.439 -9.133 -5.445 1.00 29.06 O HETATM 1930 O HOH 66 -4.999 -8.416 -4.673 1.00 47.60 O HETATM 1931 O HOH 67 -3.643 -4.650 -4.178 1.00 49.65 O HETATM 1932 O HOH 68 -6.368 0.939 0.630 1.00 41.91 O HETATM 1933 O HOH 69 -0.816 -2.137 -0.623 1.00 43.91 O HETATM 1934 O HOH 70 -7.250 2.840 -6.199 1.00 46.04 O HETATM 1935 O HOH 71 -22.782 -32.665 22.483 1.00 45.96 O HETATM 1936 O HOH 72 7.317 -16.028 4.536 1.00 53.90 O HETATM 1937 O HOH 73 -4.331 -14.651 2.667 1.00 30.95 O HETATM 1938 O HOH 74 -4.260 -14.834 -0.816 1.00 38.32 O HETATM 1939 O HOH 75 -9.070 -12.399 -2.236 1.00 40.76 O HETATM 1940 O HOH 76 -11.024 -15.348 0.668 1.00 35.52 O HETATM 1941 O HOH 77 -15.301 -15.054 6.761 1.00 31.10 O HETATM 1942 O HOH 78 -20.940 -10.754 8.270 1.00 48.18 O HETATM 1943 O HOH 79 -20.817 -9.620 5.350 1.00 37.23 O HETATM 1944 O HOH 80 -16.947 -12.242 0.196 1.00 43.99 O HETATM 1945 O HOH 81 -13.968 -18.465 0.543 1.00 47.09 O HETATM 1946 O HOH 82 -19.993 -15.652 9.119 1.00 30.95 O HETATM 1947 O HOH 83 -17.957 -6.916 12.965 1.00 35.42 O HETATM 1948 O HOH 84 -18.545 -4.547 11.549 1.00 24.24 O HETATM 1949 O HOH 85 -19.383 -8.757 2.295 1.00 42.49 O HETATM 1950 O HOH 86 -21.077 -4.045 12.140 1.00 38.89 O HETATM 1951 O HOH 87 -23.997 -2.620 8.925 1.00 43.85 O HETATM 1952 O HOH 88 -22.394 -0.480 4.757 1.00 36.81 O HETATM 1953 O HOH 89 -25.818 0.744 1.250 1.00 60.54 O HETATM 1954 O HOH 90 -21.008 4.871 9.006 1.00 30.10 O HETATM 1955 O HOH 91 -25.915 0.560 10.974 1.00 61.57 O HETATM 1956 O HOH 92 -19.241 -3.424 18.387 1.00 29.91 O HETATM 1957 O HOH 93 -23.028 -0.980 11.393 1.00 49.24 O HETATM 1958 O HOH 94 -21.499 -3.971 17.635 1.00 44.78 O HETATM 1959 O HOH 95 -8.189 -4.845 16.780 1.00 48.25 O HETATM 1960 O HOH 96 -8.406 -0.072 20.376 1.00 51.13 O HETATM 1961 O HOH 97 -12.143 -3.841 27.311 1.00 36.88 O HETATM 1962 O HOH 98 -10.586 -10.053 25.902 1.00 42.20 O HETATM 1963 O HOH 99 -16.293 -13.189 28.369 1.00 38.86 O HETATM 1964 O HOH 100 -21.044 -9.984 26.693 1.00 53.14 O HETATM 1965 O HOH 101 -13.280 -11.625 28.917 1.00 30.51 O HETATM 1966 O HOH 102 -15.893 -15.745 29.451 1.00 51.33 O HETATM 1967 O HOH 103 -18.904 -12.793 29.203 1.00 46.87 O HETATM 1968 O HOH 104 -19.079 -10.488 18.753 1.00 29.03 O HETATM 1969 O HOH 105 -23.172 -14.495 21.652 1.00 52.18 O HETATM 1970 O HOH 106 -21.422 -11.418 20.381 1.00 47.42 O HETATM 1971 O HOH 107 -21.579 -13.004 22.233 1.00 46.41 O HETATM 1972 O HOH 108 -24.161 -14.909 14.773 1.00 44.38 O HETATM 1973 O HOH 109 -19.708 -10.436 16.273 1.00 37.20 O HETATM 1974 O HOH 110 -21.283 -12.847 9.865 1.00 39.24 O HETATM 1975 O HOH 111 -21.949 -17.211 11.246 1.00 31.69 O HETATM 1976 O HOH 112 -20.937 -24.731 6.644 1.00 31.35 O HETATM 1977 O HOH 113 -27.878 -18.791 7.535 1.00 45.20 O HETATM 1978 O HOH 114 -24.102 -27.609 7.865 1.00 45.94 O HETATM 1979 O HOH 115 -24.949 -25.028 4.626 1.00 44.41 O HETATM 1980 O HOH 116 -27.238 -27.602 16.438 1.00 42.08 O HETATM 1981 O HOH 117 -17.654 -26.661 4.076 1.00 41.70 O HETATM 1982 O HOH 118 -16.572 -30.917 8.610 1.00 34.00 O HETATM 1983 O HOH 119 -15.368 -36.025 8.046 1.00 53.81 O HETATM 1984 O HOH 120 -15.959 -34.837 14.615 1.00 37.57 O HETATM 1985 O HOH 121 -16.627 -36.958 13.303 1.00 50.01 O HETATM 1986 O HOH 122 -18.101 -22.378 3.357 1.00 38.03 O HETATM 1987 O HOH 123 -5.364 -26.094 5.382 1.00 52.04 O HETATM 1988 O HOH 124 -11.340 -18.000 0.826 1.00 46.80 O HETATM 1989 O HOH 125 -15.039 -22.586 2.714 1.00 42.18 O HETATM 1990 O HOH 126 -1.067 -25.161 12.114 1.00 61.50 O HETATM 1991 O HOH 127 2.334 -25.495 2.370 1.00 58.66 O HETATM 1992 O HOH 128 7.756 -27.347 7.513 1.00 48.54 O HETATM 1993 O HOH 129 -5.851 -35.710 12.195 1.00 48.83 O HETATM 1994 O HOH 130 -7.698 -36.779 10.189 1.00 56.47 O HETATM 1995 O HOH 131 -9.683 -28.550 20.442 1.00 41.72 O HETATM 1996 O HOH 132 -16.561 -27.909 22.263 1.00 29.35 O HETATM 1997 O HOH 133 -23.184 -29.779 15.840 1.00 30.99 O HETATM 1998 O HOH 134 -26.610 -33.547 19.103 1.00 52.51 O HETATM 1999 O HOH 135 -25.436 -29.395 17.349 1.00 41.51 O HETATM 2000 O HOH 136 -24.749 -29.247 19.444 1.00 40.63 O HETATM 2001 O HOH 137 -16.396 -40.263 21.355 1.00 41.04 O HETATM 2002 O HOH 138 -26.333 -32.950 13.470 1.00 51.62 O HETATM 2003 O HOH 139 -29.553 -31.815 11.110 1.00 52.28 O HETATM 2004 O HOH 140 -23.928 -26.920 20.528 1.00 29.99 O HETATM 2005 O HOH 141 -24.383 -22.790 19.577 1.00 29.94 O HETATM 2006 O HOH 142 -23.123 -20.425 22.241 1.00 44.26 O HETATM 2007 O HOH 143 -22.501 -30.389 21.225 1.00 45.39 O HETATM 2008 O HOH 144 -20.534 -20.321 24.441 1.00 45.06 O HETATM 2009 O HOH 145 -11.234 -28.131 22.466 1.00 39.50 O HETATM 2010 O HOH 146 -9.440 -21.984 19.341 1.00 33.58 O HETATM 2011 O HOH 147 -7.800 -29.726 24.377 1.00 54.07 O HETATM 2012 O HOH 148 -2.282 -20.592 16.727 1.00 54.43 O HETATM 2013 O HOH 149 -3.844 -30.955 18.741 1.00 54.45 O HETATM 2014 C1 XOC A 150 -7.386 -1.816 10.561 1.00 0.05 C HETATM 2015 C2 XOC A 150 -7.300 -0.437 10.386 1.00 -0.06 C HETATM 2016 C3 XOC A 150 -7.287 0.375 11.513 1.00 -0.08 C HETATM 2017 C4 XOC A 150 -7.350 -0.204 12.781 1.00 -0.08 C HETATM 2018 C5 XOC A 150 -7.430 -1.585 12.948 1.00 -0.04 C HETATM 2019 C6 XOC A 150 -7.454 -2.400 11.816 1.00 0.10 C HETATM 2020 N1 XOC A 150 -7.505 -3.819 11.846 1.00 -0.16 N HETATM 2021 C7 XOC A 150 -6.355 -4.373 11.222 1.00 0.10 C HETATM 2022 C8 XOC A 150 -5.413 -5.197 11.845 1.00 -0.04 C HETATM 2023 C9 XOC A 150 -4.314 -5.643 11.109 1.00 -0.08 C HETATM 2024 C10 XOC A 150 -4.136 -5.268 9.784 1.00 -0.08 C HETATM 2025 C11 XOC A 150 -5.065 -4.439 9.160 1.00 -0.06 C HETATM 2026 C12 XOC A 150 -6.165 -4.006 9.893 1.00 0.05 C HETATM 2027 S1 XOC A 150 -7.386 -2.937 9.202 1.00 -0.06 S HETATM 2028 H8 XOC A 150 -4.934 -4.138 8.127 1.00 0.05 H HETATM 2029 H7 XOC A 150 -3.272 -5.622 9.234 1.00 0.05 H HETATM 2030 H6 XOC A 150 -3.586 -6.294 11.580 1.00 0.05 H HETATM 2031 H5 XOC A 150 -5.534 -5.485 12.883 1.00 0.05 H HETATM 2032 N2 XOC A 150 -8.427 -4.522 12.670 1.00 -0.17 N HETATM 2033 C13 XOC A 150 -8.063 -5.578 13.421 1.00 0.24 C HETATM 2034 C14 XOC A 150 -9.102 -6.697 13.448 1.00 0.06 C HETATM 2035 N3 XOC A 150 -8.545 -8.005 13.086 1.00 0.25 N HETATM 2036 C15 XOC A 150 -7.819 -8.557 14.256 1.00 -0.03 C HETATM 2037 C16 XOC A 150 -7.408 -9.998 14.055 1.00 -0.01 C HETATM 2038 C17 XOC A 150 -7.445 -10.284 12.601 1.00 -0.04 C HETATM 2039 C18 XOC A 150 -8.901 -10.193 12.163 1.00 -0.01 C HETATM 2040 C19 XOC A 150 -9.576 -8.965 12.718 1.00 -0.03 C HETATM 2041 H19 XOC A 150 -10.168 -9.234 13.605 1.00 0.08 H HETATM 2042 H20 XOC A 150 -10.237 -8.527 11.956 1.00 0.08 H HETATM 2043 H17 XOC A 150 -9.437 -11.085 12.519 1.00 0.03 H HETATM 2044 H18 XOC A 150 -8.941 -10.155 11.064 1.00 0.03 H HETATM 2045 H15 XOC A 150 -7.055 -11.293 12.405 1.00 0.03 H HETATM 2046 H16 XOC A 150 -6.840 -9.545 12.056 1.00 0.03 H HETATM 2047 H13 XOC A 150 -8.106 -10.663 14.585 1.00 0.03 H HETATM 2048 H14 XOC A 150 -6.390 -10.153 14.441 1.00 0.03 H HETATM 2049 H11 XOC A 150 -6.916 -7.953 14.428 1.00 0.08 H HETATM 2050 H12 XOC A 150 -8.474 -8.497 15.138 1.00 0.08 H HETATM 2051 H22 XOC A 150 -7.910 -7.887 12.312 1.00 0.21 H HETATM 2052 H9 XOC A 150 -9.903 -6.448 12.737 1.00 0.11 H HETATM 2053 H10 XOC A 150 -9.520 -6.763 14.463 1.00 0.11 H HETATM 2054 O2 XOC A 150 -7.014 -5.673 14.063 1.00 -0.39 O HETATM 2055 H21 XOC A 150 -9.380 -4.221 12.692 1.00 0.22 H HETATM 2056 H4 XOC A 150 -7.473 -2.019 13.941 1.00 0.05 H HETATM 2057 H3 XOC A 150 -7.336 0.435 13.656 1.00 0.05 H HETATM 2058 H2 XOC A 150 -7.228 1.452 11.408 1.00 0.05 H HETATM 2059 H1 XOC A 150 -7.244 -0.007 9.393 1.00 0.05 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 733 732 1865 CONECT 752 751 1865 CONECT 774 773 1865 CONECT 785 784 1865 CONECT 1100 1099 1867 CONECT 1117 1116 1867 CONECT 1137 1136 1867 CONECT 1148 1147 1867 CONECT 1574 1573 1866 CONECT 1596 1595 1866 CONECT 1618 1617 1866 CONECT 1633 1632 1866 CONECT 1865 733 752 774 785 CONECT 1866 1574 1596 1618 1633 CONECT 1867 1100 1117 1137 1148 CONECT 2014 2015 2019 2027 CONECT 2015 2014 2016 2059 CONECT 2016 2015 2017 2058 CONECT 2017 2016 2018 2057 CONECT 2018 2017 2019 2056 CONECT 2019 2014 2018 2020 CONECT 2020 2019 2021 2032 CONECT 2021 2020 2022 2026 CONECT 2022 2021 2023 2031 CONECT 2023 2022 2024 2030 CONECT 2024 2023 2025 2029 CONECT 2025 2024 2026 2028 CONECT 2026 2021 2025 2027 CONECT 2027 2014 2026 CONECT 2028 2025 CONECT 2029 2024 CONECT 2030 2023 CONECT 2031 2022 CONECT 2032 2020 2033 2055 CONECT 2033 2032 2034 2054 CONECT 2034 2033 2035 2052 2053 CONECT 2035 2034 2036 2040 2051 CONECT 2036 2035 2037 2049 2050 CONECT 2037 2036 2038 2047 2048 CONECT 2038 2037 2039 2045 2046 CONECT 2039 2038 2040 2043 2044 CONECT 2040 2035 2039 2041 2042 CONECT 2041 2040 CONECT 2042 2040 CONECT 2043 2039 CONECT 2044 2039 CONECT 2045 2038 CONECT 2046 2038 CONECT 2047 2037 CONECT 2048 2037 CONECT 2049 2036 CONECT 2050 2036 CONECT 2051 2035 CONECT 2052 2034 CONECT 2053 2034 CONECT 2054 2033 CONECT 2055 2032 CONECT 2056 2018 CONECT 2057 2017 CONECT 2058 2016 CONECT 2059 2015 MASTER 0 0 0 0 0 0 0 0 2058 1 65 15 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5aan
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5fyx
RCSB PDB
PDBbind
187aa, >5FYX_1|Chain... at 100%
6epa
RCSB PDB
PDBbind
187aa, >6EPA_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5aan
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
neuronal calcium sensor 1
Ligand Name
XOC
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=71uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Proc. Natl. Acad. Sci. U.S.A. Vol. 114: pp. E999-E1008
Ligand Properties
Formula
C
1
9
H
2
2
N
3
OS
Molecular Weight
340.462
Exact Mass
340.148
No. of atoms
46
No. of bonds
49
Polar Surface Area
62.08
LOGP Value
4.17 (
Computed with XLOGP3
)
4.41 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
O=C(NN1c2ccccc2Sc2c1cccc2)C[NH+]1CCCCC1
InChI String
InChI=1S/C19H21N3OS/c23-19(14-21-12-6-1-7-13-21)20-22-15-8-2-4-10-17(15)24-18-11-5-3-9-16(18)22/h2-5,8-11H,1,6-7,12-14H2,(H,20,23)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9VWX8
Entrez Gene ID
NCBI Entrez Gene ID:
32799
ASD
Information of known allosteric effects of PDB entries
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