Browse entries in the PDBbind-CN Database
HEADER 6EPA_COMPLEX COMPND 6EPA_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 NA A 4 1 HET BNQ A 353 44 ATOM 1 N LYS A 3 -20.509 14.549 0.762 1.00 88.48 N ATOM 2 CA LYS A 3 -21.283 13.336 0.529 1.00 84.68 C ATOM 3 C LYS A 3 -21.860 12.822 1.842 1.00 83.60 C ATOM 4 O LYS A 3 -21.338 13.126 2.915 1.00 84.80 O ATOM 5 CB LYS A 3 -20.409 12.257 -0.119 1.00 84.12 C ATOM 6 CG LYS A 3 -21.101 11.444 -1.210 1.00 83.79 C ATOM 7 CD LYS A 3 -21.061 9.948 -0.919 1.00 79.26 C ATOM 8 CE LYS A 3 -21.054 9.135 -2.202 1.00 77.58 C ATOM 9 NZ LYS A 3 -19.662 8.880 -2.665 1.00 78.90 N ATOM 10 HZ1 LYS A 3 -19.185 9.787 -2.842 1.00 0.00 H ATOM 11 HZ2 LYS A 3 -19.145 8.352 -1.933 1.00 0.00 H ATOM 12 HZ3 LYS A 3 -19.687 8.323 -3.543 1.00 0.00 H ATOM 13 HN3 LYS A 3 -19.730 14.341 1.419 1.00 0.00 H ATOM 14 HN2 LYS A 3 -21.126 15.279 1.173 1.00 0.00 H ATOM 15 HN1 LYS A 3 -20.121 14.890 -0.141 1.00 0.00 H ATOM 16 N LYS A 4 -22.943 12.047 1.756 1.00 91.01 N ATOM 17 CA LYS A 4 -23.487 11.394 2.942 1.00 90.35 C ATOM 18 C LYS A 4 -22.400 10.614 3.670 1.00 77.40 C ATOM 19 O LYS A 4 -22.131 10.841 4.855 1.00 70.56 O ATOM 20 CB LYS A 4 -24.631 10.452 2.555 1.00 88.16 C ATOM 21 CG LYS A 4 -25.856 11.112 1.943 1.00 91.44 C ATOM 22 CD LYS A 4 -26.913 10.060 1.613 1.00 99.42 C ATOM 23 CE LYS A 4 -28.157 10.665 0.976 1.00101.21 C ATOM 24 NZ LYS A 4 -29.163 9.620 0.619 1.00 90.25 N ATOM 25 HZ1 LYS A 4 -28.742 8.952 -0.057 1.00 0.00 H ATOM 26 HZ2 LYS A 4 -29.451 9.110 1.478 1.00 0.00 H ATOM 27 HZ3 LYS A 4 -29.994 10.073 0.188 1.00 0.00 H ATOM 28 H LYS A 4 -23.404 11.907 0.834 1.00 0.00 H ATOM 29 N ASN A 5 -21.754 9.690 2.955 1.00 85.14 N ATOM 30 CA ASN A 5 -20.831 8.748 3.576 1.00 73.97 C ATOM 31 C ASN A 5 -19.613 9.427 4.183 1.00 55.60 C ATOM 32 O ASN A 5 -19.000 8.865 5.097 1.00 59.57 O ATOM 33 CB ASN A 5 -20.386 7.713 2.542 1.00 60.59 C ATOM 34 CG ASN A 5 -21.511 6.785 2.127 1.00 68.27 C ATOM 35 OD1 ASN A 5 -22.190 6.199 2.970 1.00 67.05 O ATOM 36 ND2 ASN A 5 -21.720 6.657 0.823 1.00 77.36 N ATOM 37 HD22 ASN A 5 -21.120 7.172 0.147 1.00 0.00 H ATOM 38 HD21 ASN A 5 -22.483 6.041 0.477 1.00 0.00 H ATOM 39 H ASN A 5 -21.913 9.641 1.928 1.00 0.00 H ATOM 40 N SER A 6 -19.247 10.619 3.709 1.00 63.71 N ATOM 41 CA SER A 6 -18.016 11.245 4.177 1.00 50.83 C ATOM 42 C SER A 6 -18.192 11.964 5.511 1.00 52.14 C ATOM 43 O SER A 6 -17.232 12.048 6.285 1.00 48.80 O ATOM 44 CB SER A 6 -17.481 12.216 3.120 1.00 67.50 C ATOM 45 OG SER A 6 -17.079 13.444 3.704 1.00 69.94 O ATOM 46 HG SER A 6 -16.364 13.274 4.367 1.00 0.00 H ATOM 47 H SER A 6 -19.840 11.102 3.005 1.00 0.00 H ATOM 48 N LYS A 7 -19.381 12.480 5.811 1.00 50.66 N ATOM 49 CA LYS A 7 -19.576 13.209 7.056 1.00 45.55 C ATOM 50 C LYS A 7 -20.070 12.275 8.153 1.00 54.15 C ATOM 51 O LYS A 7 -20.784 11.301 7.899 1.00 52.92 O ATOM 52 CB LYS A 7 -20.565 14.364 6.882 1.00 52.89 C ATOM 53 CG LYS A 7 -20.289 15.553 7.816 1.00 78.36 C ATOM 54 CD LYS A 7 -21.364 15.756 8.887 1.00 71.23 C ATOM 55 CE LYS A 7 -20.981 16.902 9.830 1.00 89.89 C ATOM 56 NZ LYS A 7 -22.138 17.524 10.543 1.00 66.36 N ATOM 57 HZ1 LYS A 7 -22.805 17.912 9.846 1.00 0.00 H ATOM 58 HZ2 LYS A 7 -22.617 16.803 11.119 1.00 0.00 H ATOM 59 HZ3 LYS A 7 -21.794 18.288 11.159 1.00 0.00 H ATOM 60 H LYS A 7 -20.177 12.362 5.152 1.00 0.00 H ATOM 61 N LEU A 8 -19.674 12.585 9.385 1.00 43.85 N ATOM 62 CA LEU A 8 -20.039 11.798 10.557 1.00 35.22 C ATOM 63 C LEU A 8 -21.258 12.442 11.208 1.00 34.74 C ATOM 64 O LEU A 8 -21.166 13.540 11.766 1.00 39.14 O ATOM 65 CB LEU A 8 -18.869 11.717 11.534 1.00 32.83 C ATOM 66 CG LEU A 8 -19.113 10.958 12.836 1.00 31.80 C ATOM 67 CD1 LEU A 8 -19.482 9.506 12.571 1.00 34.38 C ATOM 68 CD2 LEU A 8 -17.871 11.049 13.706 1.00 37.38 C ATOM 69 H LEU A 8 -19.077 13.426 9.518 1.00 0.00 H ATOM 70 N LYS A 9 -22.390 11.751 11.148 1.00 34.97 N ATOM 71 CA LYS A 9 -23.648 12.278 11.651 1.00 37.67 C ATOM 72 C LYS A 9 -23.834 11.920 13.118 1.00 33.92 C ATOM 73 O LYS A 9 -23.394 10.866 13.585 1.00 32.11 O ATOM 74 CB LYS A 9 -24.816 11.736 10.828 1.00 37.12 C ATOM 75 CG LYS A 9 -24.594 11.865 9.336 1.00 55.83 C ATOM 76 CD LYS A 9 -25.745 11.301 8.532 1.00 59.90 C ATOM 77 CE LYS A 9 -25.342 11.124 7.079 1.00 78.45 C ATOM 78 NZ LYS A 9 -24.631 12.323 6.544 1.00 89.94 N ATOM 79 HZ1 LYS A 9 -25.255 13.152 6.609 1.00 0.00 H ATOM 80 HZ2 LYS A 9 -23.770 12.491 7.102 1.00 0.00 H ATOM 81 HZ3 LYS A 9 -24.375 12.158 5.550 1.00 0.00 H ATOM 82 H LYS A 9 -22.376 10.800 10.727 1.00 0.00 H ATOM 83 N GLN A 10 -24.504 12.816 13.846 1.00 28.91 N ATOM 84 CA GLN A 10 -24.714 12.596 15.273 1.00 33.92 C ATOM 85 C GLN A 10 -25.485 11.309 15.528 1.00 37.26 C ATOM 86 O GLN A 10 -25.245 10.628 16.533 1.00 32.93 O ATOM 87 CB GLN A 10 -25.453 13.787 15.884 1.00 47.55 C ATOM 88 CG GLN A 10 -25.527 13.755 17.401 1.00 50.91 C ATOM 89 CD GLN A 10 -24.158 13.772 18.047 1.00 47.83 C ATOM 90 OE1 GLN A 10 -23.304 14.589 17.700 1.00 44.67 O ATOM 91 NE2 GLN A 10 -23.938 12.860 18.986 1.00 45.77 N ATOM 92 HE22 GLN A 10 -24.690 12.190 19.246 1.00 0.00 H ATOM 93 HE21 GLN A 10 -23.014 12.815 19.461 1.00 0.00 H ATOM 94 H GLN A 10 -24.878 13.675 13.394 1.00 0.00 H ATOM 95 N ASP A 11 -26.415 10.963 14.637 1.00 32.89 N ATOM 96 CA ASP A 11 -27.174 9.727 14.791 1.00 33.74 C ATOM 97 C ASP A 11 -26.247 8.519 14.809 1.00 30.30 C ATOM 98 O ASP A 11 -26.447 7.575 15.582 1.00 28.35 O ATOM 99 CB ASP A 11 -28.197 9.620 13.659 1.00 33.95 C ATOM 100 CG ASP A 11 -29.129 8.443 13.819 1.00 28.90 C ATOM 101 OD1 ASP A 11 -29.761 8.316 14.889 1.00 35.84 O ATOM 102 OD2 ASP A 11 -29.240 7.646 12.865 1.00 31.36 O ATOM 103 H ASP A 11 -26.601 11.582 13.822 1.00 0.00 H ATOM 104 N THR A 12 -25.219 8.532 13.957 1.00 30.10 N ATOM 105 CA THR A 12 -24.258 7.435 13.937 1.00 30.66 C ATOM 106 C THR A 12 -23.477 7.369 15.242 1.00 29.98 C ATOM 107 O THR A 12 -23.231 6.282 15.776 1.00 26.10 O ATOM 108 CB THR A 12 -23.307 7.600 12.750 1.00 32.62 C ATOM 109 OG1 THR A 12 -24.059 7.615 11.532 1.00 32.88 O ATOM 110 CG2 THR A 12 -22.288 6.462 12.696 1.00 30.91 C ATOM 111 HG1 THR A 12 -23.442 7.722 10.766 1.00 0.00 H ATOM 112 H THR A 12 -25.103 9.331 13.302 1.00 0.00 H ATOM 113 N ILE A 13 -23.080 8.526 15.772 1.00 28.64 N ATOM 114 CA ILE A 13 -22.311 8.555 17.013 1.00 25.96 C ATOM 115 C ILE A 13 -23.147 8.027 18.170 1.00 26.72 C ATOM 116 O ILE A 13 -22.646 7.289 19.028 1.00 29.11 O ATOM 117 CB ILE A 13 -21.801 9.983 17.282 1.00 29.56 C ATOM 118 CG1 ILE A 13 -20.767 10.365 16.222 1.00 32.82 C ATOM 119 CG2 ILE A 13 -21.194 10.093 18.684 1.00 35.06 C ATOM 120 CD1 ILE A 13 -20.379 11.826 16.237 1.00 38.94 C ATOM 121 H ILE A 13 -23.321 9.419 15.296 1.00 0.00 H ATOM 122 N ASP A 14 -24.428 8.403 18.220 1.00 26.06 N ATOM 123 CA ASP A 14 -25.300 7.928 19.290 1.00 22.13 C ATOM 124 C ASP A 14 -25.354 6.405 19.314 1.00 23.69 C ATOM 125 O ASP A 14 -25.186 5.779 20.368 1.00 24.55 O ATOM 126 CB ASP A 14 -26.704 8.514 19.122 1.00 26.21 C ATOM 127 CG ASP A 14 -26.742 10.019 19.332 1.00 42.43 C ATOM 128 OD1 ASP A 14 -25.736 10.586 19.805 1.00 40.96 O ATOM 129 OD2 ASP A 14 -27.781 10.638 19.017 1.00 45.67 O ATOM 130 H ASP A 14 -24.807 9.040 17.490 1.00 0.00 H ATOM 131 N ARG A 15 -25.585 5.786 18.155 1.00 28.68 N ATOM 132 CA ARG A 15 -25.647 4.329 18.106 1.00 25.95 C ATOM 133 C ARG A 15 -24.307 3.703 18.473 1.00 26.40 C ATOM 134 O ARG A 15 -24.262 2.673 19.156 1.00 26.93 O ATOM 135 CB ARG A 15 -26.084 3.866 16.717 1.00 28.78 C ATOM 136 CG ARG A 15 -27.536 4.165 16.388 1.00 30.58 C ATOM 137 CD ARG A 15 -27.959 3.481 15.097 1.00 37.01 C ATOM 138 NE ARG A 15 -27.089 3.837 13.978 1.00 31.08 N ATOM 139 CZ ARG A 15 -27.296 4.857 13.148 1.00 37.57 C ATOM 140 NH1 ARG A 15 -28.353 5.638 13.292 1.00 41.96 N ATOM 141 NH2 ARG A 15 -26.441 5.099 12.164 1.00 36.65 N ATOM 142 HE ARG A 15 -26.246 3.250 13.818 1.00 0.00 H ATOM 143 HH12 ARG A 15 -28.506 6.432 12.638 1.00 0.00 H ATOM 144 HH11 ARG A 15 -29.032 5.458 14.059 1.00 0.00 H ATOM 145 HH22 ARG A 15 -26.605 5.897 11.517 1.00 0.00 H ATOM 146 HH21 ARG A 15 -25.606 4.491 12.039 1.00 0.00 H ATOM 147 H ARG A 15 -25.721 6.342 17.287 1.00 0.00 H ATOM 148 N LEU A 16 -23.204 4.305 18.022 1.00 25.03 N ATOM 149 CA LEU A 16 -21.888 3.732 18.293 1.00 26.65 C ATOM 150 C LEU A 16 -21.528 3.825 19.772 1.00 24.10 C ATOM 151 O LEU A 16 -20.951 2.886 20.331 1.00 24.77 O ATOM 152 CB LEU A 16 -20.825 4.419 17.436 1.00 21.78 C ATOM 153 CG LEU A 16 -20.814 4.026 15.957 1.00 23.58 C ATOM 154 CD1 LEU A 16 -19.870 4.915 15.161 1.00 25.28 C ATOM 155 CD2 LEU A 16 -20.421 2.555 15.796 1.00 25.18 C ATOM 156 H LEU A 16 -23.282 5.186 17.475 1.00 0.00 H ATOM 157 N THR A 17 -21.846 4.946 20.427 1.00 25.82 N ATOM 158 CA THR A 17 -21.564 5.040 21.856 1.00 27.83 C ATOM 159 C THR A 17 -22.481 4.143 22.670 1.00 25.70 C ATOM 160 O THR A 17 -22.107 3.728 23.772 1.00 28.79 O ATOM 161 CB THR A 17 -21.679 6.489 22.345 1.00 24.37 C ATOM 162 OG1 THR A 17 -22.971 7.021 22.020 1.00 28.53 O ATOM 163 CG2 THR A 17 -20.594 7.346 21.711 1.00 25.89 C ATOM 164 HG1 THR A 17 -23.671 6.474 22.457 1.00 0.00 H ATOM 165 H THR A 17 -22.289 5.742 19.925 1.00 0.00 H ATOM 166 N THR A 18 -23.667 3.826 22.148 1.00 29.41 N ATOM 167 CA THR A 18 -24.547 2.883 22.826 1.00 25.84 C ATOM 168 C THR A 18 -24.007 1.461 22.735 1.00 33.10 C ATOM 169 O THR A 18 -24.075 0.706 23.712 1.00 30.52 O ATOM 170 CB THR A 18 -25.956 2.965 22.227 1.00 30.31 C ATOM 171 OG1 THR A 18 -26.541 4.232 22.553 1.00 27.95 O ATOM 172 CG2 THR A 18 -26.860 1.846 22.756 1.00 34.55 C ATOM 173 HG1 THR A 18 -25.981 4.958 22.181 1.00 0.00 H ATOM 174 H THR A 18 -23.966 4.256 21.249 1.00 0.00 H ATOM 175 N ASP A 19 -23.442 1.086 21.583 1.00 29.73 N ATOM 176 CA ASP A 19 -23.130 -0.310 21.295 1.00 29.85 C ATOM 177 C ASP A 19 -21.666 -0.690 21.484 1.00 31.13 C ATOM 178 O ASP A 19 -21.379 -1.880 21.654 1.00 29.70 O ATOM 179 CB ASP A 19 -23.524 -0.656 19.853 1.00 29.50 C ATOM 180 CG ASP A 19 -25.021 -0.626 19.632 1.00 37.19 C ATOM 181 OD1 ASP A 19 -25.775 -0.682 20.626 1.00 33.26 O ATOM 182 OD2 ASP A 19 -25.442 -0.548 18.460 1.00 34.98 O ATOM 183 H ASP A 19 -23.218 1.810 20.871 1.00 0.00 H ATOM 184 N THR A 20 -20.736 0.260 21.442 1.00 22.82 N ATOM 185 CA THR A 20 -19.315 -0.063 21.415 1.00 21.96 C ATOM 186 C THR A 20 -18.626 0.376 22.703 1.00 26.63 C ATOM 187 O THR A 20 -19.226 0.986 23.596 1.00 25.03 O ATOM 188 CB THR A 20 -18.629 0.582 20.206 1.00 22.21 C ATOM 189 OG1 THR A 20 -18.513 1.997 20.407 1.00 24.10 O ATOM 190 CG2 THR A 20 -19.415 0.307 18.930 1.00 24.25 C ATOM 191 HG1 THR A 20 -19.416 2.388 20.518 1.00 0.00 H ATOM 192 H THR A 20 -21.030 1.258 21.428 1.00 0.00 H ATOM 193 N TYR A 21 -17.336 0.058 22.778 1.00 20.30 N ATOM 194 CA TYR A 21 -16.489 0.422 23.903 1.00 20.91 C ATOM 195 C TYR A 21 -15.762 1.744 23.689 1.00 22.50 C ATOM 196 O TYR A 21 -14.830 2.045 24.441 1.00 23.50 O ATOM 197 CB TYR A 21 -15.459 -0.678 24.164 1.00 21.70 C ATOM 198 CG TYR A 21 -16.050 -1.992 24.631 1.00 24.43 C ATOM 199 CD1 TYR A 21 -16.294 -2.227 25.978 1.00 26.94 C ATOM 200 CD2 TYR A 21 -16.350 -3.001 23.727 1.00 25.20 C ATOM 201 CE1 TYR A 21 -16.828 -3.429 26.412 1.00 32.79 C ATOM 202 CE2 TYR A 21 -16.884 -4.207 24.151 1.00 26.86 C ATOM 203 CZ TYR A 21 -17.120 -4.414 25.495 1.00 29.62 C ATOM 204 OH TYR A 21 -17.647 -5.613 25.926 1.00 30.34 O ATOM 205 HH TYR A 21 -17.751 -5.592 26.910 1.00 0.00 H ATOM 206 H TYR A 21 -16.912 -0.477 21.993 1.00 0.00 H ATOM 207 N PHE A 22 -16.156 2.530 22.686 1.00 21.75 N ATOM 208 CA PHE A 22 -15.489 3.785 22.362 1.00 24.93 C ATOM 209 C PHE A 22 -16.319 4.975 22.823 1.00 23.47 C ATOM 210 O PHE A 22 -17.551 4.966 22.722 1.00 24.66 O ATOM 211 CB PHE A 22 -15.241 3.908 20.855 1.00 27.52 C ATOM 212 CG PHE A 22 -14.276 2.897 20.309 1.00 23.86 C ATOM 213 CD1 PHE A 22 -12.941 2.930 20.672 1.00 33.83 C ATOM 214 CD2 PHE A 22 -14.697 1.930 19.413 1.00 31.61 C ATOM 215 CE1 PHE A 22 -12.047 2.005 20.165 1.00 45.39 C ATOM 216 CE2 PHE A 22 -13.809 1.006 18.901 1.00 25.21 C ATOM 217 CZ PHE A 22 -12.484 1.041 19.277 1.00 30.42 C ATOM 218 H PHE A 22 -16.972 2.236 22.112 1.00 0.00 H ATOM 219 N THR A 23 -15.631 6.006 23.309 1.00 22.49 N ATOM 220 CA THR A 23 -16.262 7.275 23.632 1.00 22.16 C ATOM 221 C THR A 23 -16.506 8.084 22.361 1.00 26.87 C ATOM 222 O THR A 23 -15.922 7.824 21.309 1.00 25.27 O ATOM 223 CB THR A 23 -15.383 8.093 24.582 1.00 28.01 C ATOM 224 OG1 THR A 23 -14.166 8.447 23.913 1.00 27.10 O ATOM 225 CG2 THR A 23 -15.048 7.297 25.840 1.00 32.87 C ATOM 226 HG1 THR A 23 -13.596 8.976 24.526 1.00 0.00 H ATOM 227 H THR A 23 -14.608 5.900 23.463 1.00 0.00 H ATOM 228 N GLU A 24 -17.378 9.088 22.473 1.00 23.59 N ATOM 229 CA GLU A 24 -17.578 10.005 21.356 1.00 24.00 C ATOM 230 C GLU A 24 -16.254 10.610 20.907 1.00 24.88 C ATOM 231 O GLU A 24 -15.970 10.682 19.705 1.00 24.93 O ATOM 232 CB GLU A 24 -18.568 11.109 21.735 1.00 27.92 C ATOM 233 CG GLU A 24 -18.693 12.184 20.657 1.00 38.00 C ATOM 234 CD GLU A 24 -19.878 13.111 20.858 1.00 41.97 C ATOM 235 OE1 GLU A 24 -20.085 13.992 19.997 1.00 44.21 O ATOM 236 OE2 GLU A 24 -20.602 12.962 21.863 1.00 52.07 O ATOM 237 H GLU A 24 -17.914 9.217 23.355 1.00 0.00 H ATOM 238 N LYS A 25 -15.424 11.038 21.862 1.00 27.26 N ATOM 239 CA LYS A 25 -14.132 11.627 21.519 1.00 34.46 C ATOM 240 C LYS A 25 -13.283 10.662 20.697 1.00 30.66 C ATOM 241 O LYS A 25 -12.657 11.061 19.708 1.00 28.19 O ATOM 242 CB LYS A 25 -13.393 12.044 22.794 1.00 38.88 C ATOM 243 CG LYS A 25 -12.002 12.642 22.566 1.00 34.11 C ATOM 244 CD LYS A 25 -11.559 13.504 23.752 1.00 60.10 C ATOM 245 CE LYS A 25 -10.197 13.097 24.306 1.00 71.41 C ATOM 246 NZ LYS A 25 -9.059 13.496 23.434 1.00 75.03 N ATOM 247 HZ1 LYS A 25 -9.164 13.047 22.502 1.00 0.00 H ATOM 248 HZ2 LYS A 25 -9.055 14.530 23.323 1.00 0.00 H ATOM 249 HZ3 LYS A 25 -8.166 13.189 23.870 1.00 0.00 H ATOM 250 H LYS A 25 -15.701 10.951 22.861 1.00 0.00 H ATOM 251 N GLU A 26 -13.250 9.386 21.088 1.00 24.58 N ATOM 252 CA GLU A 26 -12.458 8.408 20.349 1.00 24.26 C ATOM 253 C GLU A 26 -13.041 8.159 18.964 1.00 25.95 C ATOM 254 O GLU A 26 -12.297 7.986 17.992 1.00 26.36 O ATOM 255 CB GLU A 26 -12.381 7.095 21.131 1.00 24.06 C ATOM 256 CG GLU A 26 -11.446 7.126 22.328 1.00 33.02 C ATOM 257 CD GLU A 26 -11.572 5.882 23.189 1.00 38.97 C ATOM 258 OE1 GLU A 26 -12.693 5.339 23.295 1.00 31.59 O ATOM 259 OE2 GLU A 26 -10.547 5.444 23.752 1.00 36.07 O ATOM 260 H GLU A 26 -13.792 9.087 21.924 1.00 0.00 H ATOM 261 N ILE A 27 -14.371 8.119 18.862 1.00 23.57 N ATOM 262 CA ILE A 27 -15.022 7.874 17.579 1.00 23.55 C ATOM 263 C ILE A 27 -14.709 8.999 16.603 1.00 27.51 C ATOM 264 O ILE A 27 -14.422 8.758 15.423 1.00 24.26 O ATOM 265 CB ILE A 27 -16.539 7.705 17.786 1.00 24.20 C ATOM 266 CG1 ILE A 27 -16.823 6.419 18.564 1.00 23.23 C ATOM 267 CG2 ILE A 27 -17.280 7.689 16.448 1.00 25.23 C ATOM 268 CD1 ILE A 27 -18.207 6.371 19.162 1.00 26.04 C ATOM 269 H ILE A 27 -14.953 8.265 19.711 1.00 0.00 H ATOM 270 N ARG A 28 -14.760 10.245 17.071 1.00 25.71 N ATOM 271 CA ARG A 28 -14.453 11.365 16.188 1.00 21.31 C ATOM 272 C ARG A 28 -12.994 11.339 15.753 1.00 30.67 C ATOM 273 O ARG A 28 -12.680 11.649 14.599 1.00 30.52 O ATOM 274 CB ARG A 28 -14.793 12.683 16.877 1.00 23.54 C ATOM 275 CG ARG A 28 -16.265 12.840 17.180 1.00 32.26 C ATOM 276 CD ARG A 28 -16.583 14.217 17.740 1.00 34.17 C ATOM 277 NE ARG A 28 -18.006 14.356 18.046 1.00 32.16 N ATOM 278 CZ ARG A 28 -18.952 14.565 17.134 1.00 33.43 C ATOM 279 NH1 ARG A 28 -18.638 14.659 15.848 1.00 35.10 N ATOM 280 NH2 ARG A 28 -20.219 14.675 17.508 1.00 38.65 N ATOM 281 HE ARG A 28 -18.298 14.287 19.042 1.00 0.00 H ATOM 282 HH12 ARG A 28 -19.383 14.822 15.141 1.00 0.00 H ATOM 283 HH11 ARG A 28 -17.647 14.569 15.547 1.00 0.00 H ATOM 284 HH22 ARG A 28 -20.959 14.838 16.796 1.00 0.00 H ATOM 285 HH21 ARG A 28 -20.473 14.598 18.514 1.00 0.00 H ATOM 286 H ARG A 28 -15.018 10.419 18.063 1.00 0.00 H ATOM 287 N GLN A 29 -12.087 10.967 16.660 1.00 31.16 N ATOM 288 CA GLN A 29 -10.689 10.795 16.282 1.00 25.32 C ATOM 289 C GLN A 29 -10.549 9.732 15.201 1.00 36.65 C ATOM 290 O GLN A 29 -9.873 9.944 14.187 1.00 35.14 O ATOM 291 CB GLN A 29 -9.853 10.416 17.507 1.00 31.61 C ATOM 292 CG GLN A 29 -9.677 11.524 18.532 1.00 52.59 C ATOM 293 CD GLN A 29 -9.005 11.037 19.808 1.00 59.92 C ATOM 294 OE1 GLN A 29 -8.881 9.833 20.040 1.00 49.29 O ATOM 295 NE2 GLN A 29 -8.568 11.972 20.641 1.00 65.98 N ATOM 296 HE22 GLN A 29 -8.693 12.977 20.406 1.00 0.00 H ATOM 297 HE21 GLN A 29 -8.100 11.700 21.529 1.00 0.00 H ATOM 298 H GLN A 29 -12.380 10.799 17.644 1.00 0.00 H ATOM 299 N TRP A 30 -11.185 8.575 15.402 1.00 28.60 N ATOM 300 CA TRP A 30 -11.061 7.487 14.439 1.00 28.50 C ATOM 301 C TRP A 30 -11.639 7.869 13.084 1.00 30.04 C ATOM 302 O TRP A 30 -11.159 7.391 12.050 1.00 32.82 O ATOM 303 CB TRP A 30 -11.748 6.227 14.974 1.00 30.13 C ATOM 304 CG TRP A 30 -10.837 5.356 15.778 1.00 41.92 C ATOM 305 CD1 TRP A 30 -10.810 5.223 17.135 1.00 43.69 C ATOM 306 CD2 TRP A 30 -9.807 4.503 15.271 1.00 45.70 C ATOM 307 NE1 TRP A 30 -9.827 4.339 17.504 1.00 44.02 N ATOM 308 CE2 TRP A 30 -9.198 3.881 16.377 1.00 41.06 C ATOM 309 CE3 TRP A 30 -9.341 4.204 13.989 1.00 53.48 C ATOM 310 CZ2 TRP A 30 -8.146 2.979 16.239 1.00 52.91 C ATOM 311 CZ3 TRP A 30 -8.299 3.308 13.854 1.00 50.56 C ATOM 312 CH2 TRP A 30 -7.714 2.706 14.971 1.00 48.08 C ATOM 313 HE1 TRP A 30 -9.597 4.062 18.480 1.00 0.00 H ATOM 314 H TRP A 30 -11.773 8.449 16.251 1.00 0.00 H ATOM 315 N HIS A 31 -12.658 8.727 13.063 1.00 29.24 N ATOM 316 CA HIS A 31 -13.248 9.118 11.787 1.00 28.33 C ATOM 317 C HIS A 31 -12.285 9.971 10.972 1.00 36.30 C ATOM 318 O HIS A 31 -12.209 9.827 9.747 1.00 28.08 O ATOM 319 CB HIS A 31 -14.561 9.863 12.013 1.00 28.15 C ATOM 320 CG HIS A 31 -15.361 10.054 10.762 1.00 33.83 C ATOM 321 ND1 HIS A 31 -15.442 11.263 10.105 1.00 30.29 N ATOM 322 CD2 HIS A 31 -16.109 9.184 10.043 1.00 35.45 C ATOM 323 CE1 HIS A 31 -16.211 11.130 9.038 1.00 39.58 C ATOM 324 NE2 HIS A 31 -16.629 9.879 8.978 1.00 35.71 N ATOM 325 H HIS A 31 -13.031 9.116 13.952 1.00 0.00 H ATOM 326 N LYS A 32 -11.545 10.869 11.629 1.00 31.12 N ATOM 327 CA LYS A 32 -10.502 11.614 10.931 1.00 39.06 C ATOM 328 C LYS A 32 -9.531 10.662 10.245 1.00 35.05 C ATOM 329 O LYS A 32 -9.186 10.844 9.072 1.00 39.98 O ATOM 330 CB LYS A 32 -9.754 12.528 11.904 1.00 41.51 C ATOM 331 CG LYS A 32 -10.497 13.801 12.281 1.00 49.24 C ATOM 332 CD LYS A 32 -9.529 14.929 12.636 1.00 50.46 C ATOM 333 CE LYS A 32 -9.566 15.269 14.113 1.00 68.50 C ATOM 334 NZ LYS A 32 -10.880 15.837 14.519 1.00 80.32 N ATOM 335 HZ1 LYS A 32 -11.062 16.707 13.979 1.00 0.00 H ATOM 336 HZ2 LYS A 32 -11.631 15.144 14.325 1.00 0.00 H ATOM 337 HZ3 LYS A 32 -10.863 16.055 15.536 1.00 0.00 H ATOM 338 H LYS A 32 -11.713 11.038 12.641 1.00 0.00 H ATOM 339 N GLY A 33 -9.083 9.634 10.967 1.00 35.59 N ATOM 340 CA GLY A 33 -8.170 8.666 10.380 1.00 32.10 C ATOM 341 C GLY A 33 -8.819 7.836 9.288 1.00 42.56 C ATOM 342 O GLY A 33 -8.185 7.517 8.279 1.00 44.60 O ATOM 343 H GLY A 33 -9.388 9.524 11.955 1.00 0.00 H ATOM 344 N PHE A 34 -10.090 7.471 9.477 1.00 33.65 N ATOM 345 CA PHE A 34 -10.801 6.692 8.468 1.00 36.08 C ATOM 346 C PHE A 34 -10.889 7.451 7.149 1.00 35.16 C ATOM 347 O PHE A 34 -10.748 6.860 6.072 1.00 37.27 O ATOM 348 CB PHE A 34 -12.197 6.337 8.983 1.00 28.86 C ATOM 349 CG PHE A 34 -12.935 5.346 8.128 1.00 29.43 C ATOM 350 CD1 PHE A 34 -12.568 4.011 8.117 1.00 29.21 C ATOM 351 CD2 PHE A 34 -14.012 5.744 7.355 1.00 31.55 C ATOM 352 CE1 PHE A 34 -13.249 3.097 7.340 1.00 29.22 C ATOM 353 CE2 PHE A 34 -14.696 4.836 6.575 1.00 34.10 C ATOM 354 CZ PHE A 34 -14.314 3.508 6.567 1.00 30.00 C ATOM 355 H PHE A 34 -10.579 7.745 10.353 1.00 0.00 H ATOM 356 N LEU A 35 -11.117 8.765 7.210 1.00 35.41 N ATOM 357 CA LEU A 35 -11.250 9.554 5.990 1.00 41.15 C ATOM 358 C LEU A 35 -9.909 9.830 5.324 1.00 45.55 C ATOM 359 O LEU A 35 -9.853 9.967 4.096 1.00 48.11 O ATOM 360 CB LEU A 35 -11.951 10.878 6.287 1.00 36.74 C ATOM 361 CG LEU A 35 -13.462 10.864 6.519 1.00 41.34 C ATOM 362 CD1 LEU A 35 -13.961 12.299 6.585 1.00 49.86 C ATOM 363 CD2 LEU A 35 -14.207 10.092 5.438 1.00 45.81 C ATOM 364 H LEU A 35 -11.201 9.231 8.136 1.00 0.00 H ATOM 365 N LYS A 36 -8.828 9.935 6.096 1.00 45.27 N ATOM 366 CA LYS A 36 -7.520 10.121 5.480 1.00 48.02 C ATOM 367 C LYS A 36 -7.178 8.947 4.576 1.00 49.04 C ATOM 368 O LYS A 36 -6.669 9.136 3.466 1.00 49.89 O ATOM 369 CB LYS A 36 -6.445 10.305 6.551 1.00 43.33 C ATOM 370 CG LYS A 36 -6.394 11.704 7.137 1.00 61.95 C ATOM 371 CD LYS A 36 -5.034 12.011 7.745 1.00 72.46 C ATOM 372 CE LYS A 36 -5.156 12.952 8.935 1.00 68.18 C ATOM 373 NZ LYS A 36 -6.047 14.118 8.660 1.00 74.24 N ATOM 374 HZ1 LYS A 36 -5.666 14.663 7.860 1.00 0.00 H ATOM 375 HZ2 LYS A 36 -7.001 13.776 8.425 1.00 0.00 H ATOM 376 HZ3 LYS A 36 -6.093 14.724 9.504 1.00 0.00 H ATOM 377 H LYS A 36 -8.917 9.885 7.131 1.00 0.00 H ATOM 378 N ASP A 37 -7.461 7.727 5.032 1.00 47.08 N ATOM 379 CA ASP A 37 -7.230 6.543 4.219 1.00 47.03 C ATOM 380 C ASP A 37 -8.360 6.275 3.236 1.00 40.77 C ATOM 381 O ASP A 37 -8.144 5.568 2.245 1.00 51.73 O ATOM 382 CB ASP A 37 -7.051 5.315 5.117 1.00 50.94 C ATOM 383 CG ASP A 37 -5.759 5.351 5.910 1.00 76.62 C ATOM 384 OD1 ASP A 37 -4.722 5.758 5.344 1.00 76.43 O ATOM 385 OD2 ASP A 37 -5.782 4.970 7.100 1.00 72.97 O ATOM 386 H ASP A 37 -7.855 7.619 5.988 1.00 0.00 H ATOM 387 N CYS A 38 -9.549 6.826 3.470 1.00 41.18 N ATOM 388 CA CYS A 38 -10.737 6.514 2.678 1.00 39.84 C ATOM 389 C CYS A 38 -11.580 7.767 2.526 1.00 37.81 C ATOM 390 O CYS A 38 -12.631 7.916 3.156 1.00 31.57 O ATOM 391 CB CYS A 38 -11.551 5.391 3.329 1.00 35.24 C ATOM 392 SG CYS A 38 -10.631 3.862 3.582 1.00 38.89 S ATOM 393 H CYS A 38 -9.636 7.508 4.250 1.00 0.00 H ATOM 394 N PRO A 39 -11.147 8.702 1.667 1.00 33.37 N ATOM 395 CA PRO A 39 -11.880 9.975 1.539 1.00 37.65 C ATOM 396 C PRO A 39 -13.355 9.812 1.216 1.00 36.43 C ATOM 397 O PRO A 39 -14.158 10.674 1.595 1.00 34.62 O ATOM 398 CB PRO A 39 -11.130 10.693 0.407 1.00 36.25 C ATOM 399 CG PRO A 39 -9.767 10.067 0.388 1.00 39.47 C ATOM 400 CD PRO A 39 -9.966 8.644 0.792 1.00 35.66 C ATOM 401 N ASN A 40 -13.738 8.734 0.528 1.00 35.06 N ATOM 402 CA ASN A 40 -15.137 8.495 0.193 1.00 34.58 C ATOM 403 C ASN A 40 -15.979 8.074 1.387 1.00 32.98 C ATOM 404 O ASN A 40 -17.211 8.095 1.285 1.00 33.45 O ATOM 405 CB ASN A 40 -15.250 7.403 -0.871 1.00 40.80 C ATOM 406 CG ASN A 40 -15.125 7.938 -2.272 1.00 49.17 C ATOM 407 OD1 ASN A 40 -15.329 9.126 -2.517 1.00 52.00 O ATOM 408 ND2 ASN A 40 -14.800 7.055 -3.212 1.00 45.38 N ATOM 409 HD22 ASN A 40 -14.637 6.060 -2.957 1.00 0.00 H ATOM 410 HD21 ASN A 40 -14.709 7.359 -4.202 1.00 0.00 H ATOM 411 H ASN A 40 -13.020 8.047 0.223 1.00 0.00 H ATOM 412 N GLY A 41 -15.362 7.679 2.497 1.00 33.17 N ATOM 413 CA GLY A 41 -16.111 7.097 3.590 1.00 30.88 C ATOM 414 C GLY A 41 -16.552 5.668 3.359 1.00 30.44 C ATOM 415 O GLY A 41 -17.310 5.132 4.172 1.00 30.89 O ATOM 416 H GLY A 41 -14.331 7.789 2.580 1.00 0.00 H ATOM 417 N LEU A 42 -16.116 5.036 2.271 1.00 34.87 N ATOM 418 CA LEU A 42 -16.475 3.653 1.966 1.00 35.07 C ATOM 419 C LEU A 42 -15.225 2.895 1.554 1.00 46.43 C ATOM 420 O LEU A 42 -14.578 3.256 0.566 1.00 55.38 O ATOM 421 CB LEU A 42 -17.517 3.576 0.849 1.00 39.90 C ATOM 422 CG LEU A 42 -18.904 4.143 1.133 1.00 51.97 C ATOM 423 CD1 LEU A 42 -19.737 4.098 -0.137 1.00 74.17 C ATOM 424 CD2 LEU A 42 -19.589 3.375 2.254 1.00 55.21 C ATOM 425 H LEU A 42 -15.495 5.547 1.612 1.00 0.00 H ATOM 426 N LEU A 43 -14.897 1.842 2.298 1.00 31.91 N ATOM 427 CA LEU A 43 -13.734 1.011 2.021 1.00 36.28 C ATOM 428 C LEU A 43 -14.185 -0.194 1.203 1.00 35.70 C ATOM 429 O LEU A 43 -15.044 -0.962 1.647 1.00 30.04 O ATOM 430 CB LEU A 43 -13.063 0.576 3.325 1.00 39.00 C ATOM 431 CG LEU A 43 -11.754 -0.215 3.264 1.00 44.37 C ATOM 432 CD1 LEU A 43 -10.729 0.435 2.345 1.00 40.55 C ATOM 433 CD2 LEU A 43 -11.190 -0.351 4.671 1.00 45.30 C ATOM 434 H LEU A 43 -15.497 1.602 3.113 1.00 0.00 H ATOM 435 N THR A 44 -13.623 -0.340 0.006 1.00 29.07 N ATOM 436 CA THR A 44 -13.954 -1.449 -0.875 1.00 28.99 C ATOM 437 C THR A 44 -13.162 -2.692 -0.477 1.00 25.82 C ATOM 438 O THR A 44 -12.196 -2.629 0.286 1.00 31.51 O ATOM 439 CB THR A 44 -13.659 -1.087 -2.334 1.00 36.48 C ATOM 440 OG1 THR A 44 -12.264 -0.780 -2.483 1.00 35.64 O ATOM 441 CG2 THR A 44 -14.489 0.116 -2.778 1.00 37.56 C ATOM 442 HG1 THR A 44 -12.032 -0.014 -1.900 1.00 0.00 H ATOM 443 H THR A 44 -12.924 0.362 -0.310 1.00 0.00 H ATOM 444 N GLU A 45 -13.576 -3.843 -1.013 1.00 26.02 N ATOM 445 CA GLU A 45 -12.858 -5.079 -0.719 1.00 29.83 C ATOM 446 C GLU A 45 -11.407 -4.988 -1.176 1.00 27.64 C ATOM 447 O GLU A 45 -10.486 -5.348 -0.434 1.00 25.42 O ATOM 448 CB GLU A 45 -13.557 -6.276 -1.370 1.00 29.92 C ATOM 449 CG GLU A 45 -12.877 -7.613 -1.059 1.00 26.89 C ATOM 450 CD GLU A 45 -13.646 -8.815 -1.589 1.00 35.35 C ATOM 451 OE1 GLU A 45 -14.814 -8.651 -1.996 1.00 40.54 O ATOM 452 OE2 GLU A 45 -13.075 -9.925 -1.596 1.00 33.56 O ATOM 453 H GLU A 45 -14.407 -3.858 -1.638 1.00 0.00 H ATOM 454 N GLN A 46 -11.173 -4.499 -2.397 1.00 31.54 N ATOM 455 CA GLN A 46 -9.797 -4.429 -2.878 1.00 27.34 C ATOM 456 C GLN A 46 -8.985 -3.427 -2.067 1.00 23.28 C ATOM 457 O GLN A 46 -7.799 -3.655 -1.800 1.00 30.59 O ATOM 458 CB GLN A 46 -9.762 -4.077 -4.367 1.00 26.53 C ATOM 459 CG GLN A 46 -8.372 -4.234 -4.983 1.00 28.56 C ATOM 460 CD GLN A 46 -7.834 -5.649 -4.861 1.00 28.55 C ATOM 461 OE1 GLN A 46 -8.596 -6.613 -4.808 1.00 33.59 O ATOM 462 NE2 GLN A 46 -6.515 -5.779 -4.801 1.00 32.87 N ATOM 463 HE22 GLN A 46 -5.907 -4.937 -4.849 1.00 0.00 H ATOM 464 HE21 GLN A 46 -6.089 -6.723 -4.706 1.00 0.00 H ATOM 465 H GLN A 46 -11.959 -4.173 -2.995 1.00 0.00 H ATOM 466 N GLY A 47 -9.601 -2.317 -1.660 1.00 25.49 N ATOM 467 CA GLY A 47 -8.920 -1.402 -0.757 1.00 29.92 C ATOM 468 C GLY A 47 -8.592 -2.060 0.570 1.00 29.45 C ATOM 469 O GLY A 47 -7.551 -1.788 1.173 1.00 29.58 O ATOM 470 H GLY A 47 -10.565 -2.106 -1.987 1.00 0.00 H ATOM 471 N PHE A 48 -9.480 -2.940 1.037 1.00 29.75 N ATOM 472 CA PHE A 48 -9.224 -3.720 2.245 1.00 27.80 C ATOM 473 C PHE A 48 -8.048 -4.667 2.043 1.00 27.51 C ATOM 474 O PHE A 48 -7.189 -4.804 2.922 1.00 36.68 O ATOM 475 CB PHE A 48 -10.494 -4.491 2.610 1.00 30.47 C ATOM 476 CG PHE A 48 -10.561 -4.946 4.042 1.00 29.47 C ATOM 477 CD1 PHE A 48 -10.785 -4.039 5.064 1.00 36.42 C ATOM 478 CD2 PHE A 48 -10.447 -6.287 4.357 1.00 29.61 C ATOM 479 CE1 PHE A 48 -10.867 -4.462 6.382 1.00 36.55 C ATOM 480 CE2 PHE A 48 -10.528 -6.715 5.669 1.00 38.66 C ATOM 481 CZ PHE A 48 -10.740 -5.800 6.682 1.00 33.43 C ATOM 482 H PHE A 48 -10.377 -3.074 0.528 1.00 0.00 H ATOM 483 N ILE A 49 -7.995 -5.333 0.888 1.00 27.84 N ATOM 484 CA ILE A 49 -6.871 -6.208 0.567 1.00 24.51 C ATOM 485 C ILE A 49 -5.572 -5.413 0.503 1.00 32.12 C ATOM 486 O ILE A 49 -4.519 -5.880 0.955 1.00 35.25 O ATOM 487 CB ILE A 49 -7.148 -6.949 -0.755 1.00 29.58 C ATOM 488 CG1 ILE A 49 -8.300 -7.940 -0.562 1.00 24.63 C ATOM 489 CG2 ILE A 49 -5.896 -7.664 -1.263 1.00 34.70 C ATOM 490 CD1 ILE A 49 -8.838 -8.515 -1.846 1.00 27.43 C ATOM 491 H ILE A 49 -8.770 -5.227 0.203 1.00 0.00 H ATOM 492 N LYS A 50 -5.620 -4.209 -0.073 1.00 32.28 N ATOM 493 CA LYS A 50 -4.407 -3.409 -0.212 1.00 34.96 C ATOM 494 C LYS A 50 -3.804 -3.082 1.146 1.00 36.22 C ATOM 495 O LYS A 50 -2.579 -3.111 1.315 1.00 41.80 O ATOM 496 CB LYS A 50 -4.714 -2.128 -0.986 1.00 37.61 C ATOM 497 CG LYS A 50 -4.953 -2.366 -2.468 1.00 45.48 C ATOM 498 CD LYS A 50 -5.273 -1.081 -3.204 1.00 39.56 C ATOM 499 CE LYS A 50 -5.634 -1.359 -4.655 1.00 47.36 C ATOM 500 NZ LYS A 50 -5.958 -0.118 -5.406 1.00 44.00 N ATOM 501 HZ1 LYS A 50 -6.768 0.355 -4.958 1.00 0.00 H ATOM 502 HZ2 LYS A 50 -5.135 0.517 -5.395 1.00 0.00 H ATOM 503 HZ3 LYS A 50 -6.197 -0.361 -6.389 1.00 0.00 H ATOM 504 H LYS A 50 -6.526 -3.839 -0.424 1.00 0.00 H ATOM 505 N ILE A 51 -4.650 -2.772 2.129 1.00 37.18 N ATOM 506 CA ILE A 51 -4.159 -2.502 3.475 1.00 34.91 C ATOM 507 C ILE A 51 -3.460 -3.732 4.035 1.00 34.65 C ATOM 508 O ILE A 51 -2.384 -3.635 4.637 1.00 44.77 O ATOM 509 CB ILE A 51 -5.321 -2.039 4.373 1.00 39.16 C ATOM 510 CG1 ILE A 51 -5.869 -0.706 3.859 1.00 40.26 C ATOM 511 CG2 ILE A 51 -4.874 -1.902 5.830 1.00 49.86 C ATOM 512 CD1 ILE A 51 -7.201 -0.309 4.454 1.00 45.45 C ATOM 513 H ILE A 51 -5.670 -2.722 1.934 1.00 0.00 H ATOM 514 N TYR A 52 -4.047 -4.912 3.829 1.00 36.36 N ATOM 515 CA TYR A 52 -3.418 -6.136 4.311 1.00 33.12 C ATOM 516 C TYR A 52 -2.102 -6.418 3.595 1.00 45.88 C ATOM 517 O TYR A 52 -1.227 -7.088 4.155 1.00 42.20 O ATOM 518 CB TYR A 52 -4.375 -7.316 4.150 1.00 35.31 C ATOM 519 CG TYR A 52 -5.265 -7.532 5.348 1.00 35.57 C ATOM 520 CD1 TYR A 52 -6.428 -6.793 5.524 1.00 37.84 C ATOM 521 CD2 TYR A 52 -4.937 -8.477 6.311 1.00 44.07 C ATOM 522 CE1 TYR A 52 -7.239 -6.991 6.628 1.00 39.09 C ATOM 523 CE2 TYR A 52 -5.740 -8.683 7.415 1.00 36.59 C ATOM 524 CZ TYR A 52 -6.888 -7.938 7.570 1.00 44.86 C ATOM 525 OH TYR A 52 -7.689 -8.145 8.669 1.00 53.16 O ATOM 526 HH TYR A 52 -8.467 -7.534 8.629 1.00 0.00 H ATOM 527 H TYR A 52 -4.955 -4.959 3.324 1.00 0.00 H ATOM 528 N LYS A 53 -1.936 -5.932 2.363 1.00 41.54 N ATOM 529 CA LYS A 53 -0.652 -6.097 1.691 1.00 45.09 C ATOM 530 C LYS A 53 0.401 -5.142 2.240 1.00 34.85 C ATOM 531 O LYS A 53 1.596 -5.455 2.195 1.00 56.76 O ATOM 532 CB LYS A 53 -0.806 -5.902 0.182 1.00 51.68 C ATOM 533 CG LYS A 53 -1.479 -7.076 -0.513 1.00 43.74 C ATOM 534 CD LYS A 53 -1.528 -6.891 -2.021 1.00 44.29 C ATOM 535 CE LYS A 53 -2.293 -8.019 -2.699 1.00 40.14 C ATOM 536 NZ LYS A 53 -2.385 -7.826 -4.174 1.00 61.70 N ATOM 537 HZ1 LYS A 53 -2.878 -6.933 -4.375 1.00 0.00 H ATOM 538 HZ2 LYS A 53 -1.427 -7.794 -4.579 1.00 0.00 H ATOM 539 HZ3 LYS A 53 -2.914 -8.617 -4.594 1.00 0.00 H ATOM 540 H LYS A 53 -2.717 -5.439 1.885 1.00 0.00 H ATOM 541 N GLN A 54 -0.014 -3.984 2.763 1.00 46.03 N ATOM 542 CA GLN A 54 0.924 -3.100 3.450 1.00 56.47 C ATOM 543 C GLN A 54 1.568 -3.769 4.655 1.00 57.98 C ATOM 544 O GLN A 54 2.653 -3.352 5.075 1.00 71.09 O ATOM 545 CB GLN A 54 0.225 -1.825 3.927 1.00 58.48 C ATOM 546 CG GLN A 54 -0.227 -0.873 2.840 1.00 63.07 C ATOM 547 CD GLN A 54 -0.698 0.455 3.409 1.00 72.62 C ATOM 548 OE1 GLN A 54 -1.625 0.502 4.218 1.00 73.86 O ATOM 549 NE2 GLN A 54 -0.050 1.539 2.998 1.00 64.39 N ATOM 550 HE22 GLN A 54 0.727 1.452 2.313 1.00 0.00 H ATOM 551 HE21 GLN A 54 -0.320 2.475 3.361 1.00 0.00 H ATOM 552 H GLN A 54 -1.014 -3.710 2.680 1.00 0.00 H ATOM 553 N PHE A 55 0.922 -4.787 5.226 1.00 52.59 N ATOM 554 CA PHE A 55 1.329 -5.355 6.503 1.00 48.33 C ATOM 555 C PHE A 55 1.916 -6.754 6.393 1.00 52.60 C ATOM 556 O PHE A 55 2.489 -7.243 7.372 1.00 68.23 O ATOM 557 CB PHE A 55 0.132 -5.387 7.465 1.00 61.56 C ATOM 558 CG PHE A 55 -0.191 -4.053 8.075 1.00 69.21 C ATOM 559 CD1 PHE A 55 -0.403 -2.943 7.276 1.00 64.19 C ATOM 560 CD2 PHE A 55 -0.287 -3.911 9.450 1.00 76.34 C ATOM 561 CE1 PHE A 55 -0.699 -1.715 7.836 1.00 82.03 C ATOM 562 CE2 PHE A 55 -0.584 -2.686 10.016 1.00 66.14 C ATOM 563 CZ PHE A 55 -0.790 -1.587 9.208 1.00 88.47 C ATOM 564 H PHE A 55 0.096 -5.190 4.740 1.00 0.00 H ATOM 565 N PHE A 56 1.789 -7.409 5.241 1.00 54.66 N ATOM 566 CA PHE A 56 2.362 -8.738 5.021 1.00 58.85 C ATOM 567 C PHE A 56 2.950 -8.790 3.617 1.00 68.16 C ATOM 568 O PHE A 56 2.524 -9.587 2.776 1.00 72.67 O ATOM 569 CB PHE A 56 1.305 -9.825 5.213 1.00 59.56 C ATOM 570 CG PHE A 56 0.557 -9.731 6.514 1.00 59.68 C ATOM 571 CD1 PHE A 56 -0.517 -8.868 6.651 1.00 55.34 C ATOM 572 CD2 PHE A 56 0.917 -10.518 7.596 1.00 64.02 C ATOM 573 CE1 PHE A 56 -1.209 -8.782 7.842 1.00 63.06 C ATOM 574 CE2 PHE A 56 0.227 -10.438 8.790 1.00 67.83 C ATOM 575 CZ PHE A 56 -0.838 -9.569 8.913 1.00 70.74 C ATOM 576 H PHE A 56 1.262 -6.958 4.466 1.00 0.00 H ATOM 577 N PRO A 57 3.944 -7.945 3.327 1.00 78.19 N ATOM 578 CA PRO A 57 4.420 -7.834 1.939 1.00 77.23 C ATOM 579 C PRO A 57 4.987 -9.127 1.384 1.00 79.98 C ATOM 580 O PRO A 57 5.088 -9.263 0.157 1.00 77.44 O ATOM 581 CB PRO A 57 5.497 -6.739 2.017 1.00 89.42 C ATOM 582 CG PRO A 57 5.290 -6.062 3.340 1.00 80.94 C ATOM 583 CD PRO A 57 4.745 -7.117 4.243 1.00 72.80 C ATOM 584 N ASP A 58 5.356 -10.082 2.240 1.00 73.23 N ATOM 585 CA ASP A 58 5.974 -11.315 1.763 1.00 86.02 C ATOM 586 C ASP A 58 4.948 -12.232 1.101 1.00 90.78 C ATOM 587 O ASP A 58 5.094 -12.603 -0.070 1.00 87.21 O ATOM 588 CB ASP A 58 6.680 -12.027 2.921 1.00 80.81 C ATOM 589 CG ASP A 58 5.758 -12.296 4.095 1.00 87.81 C ATOM 590 OD1 ASP A 58 4.809 -11.511 4.302 1.00 90.70 O ATOM 591 OD2 ASP A 58 5.985 -13.294 4.812 1.00 80.47 O ATOM 592 H ASP A 58 5.201 -9.946 3.259 1.00 0.00 H ATOM 593 N GLY A 59 3.901 -12.605 1.831 1.00 76.06 N ATOM 594 CA GLY A 59 2.906 -13.537 1.343 1.00 60.43 C ATOM 595 C GLY A 59 1.796 -12.854 0.573 1.00 61.59 C ATOM 596 O GLY A 59 1.931 -11.723 0.100 1.00 53.92 O ATOM 597 H GLY A 59 3.793 -12.213 2.788 1.00 0.00 H ATOM 598 N ASP A 60 0.676 -13.563 0.444 1.00 49.56 N ATOM 599 CA ASP A 60 -0.507 -13.047 -0.247 1.00 47.92 C ATOM 600 C ASP A 60 -1.678 -12.992 0.726 1.00 46.55 C ATOM 601 O ASP A 60 -2.320 -14.028 0.985 1.00 38.29 O ATOM 602 CB ASP A 60 -0.858 -13.914 -1.454 1.00 46.20 C ATOM 603 CG ASP A 60 -1.963 -13.310 -2.298 1.00 44.94 C ATOM 604 OD1 ASP A 60 -2.444 -12.212 -1.945 1.00 46.34 O ATOM 605 OD2 ASP A 60 -2.350 -13.928 -3.311 1.00 54.77 O ATOM 606 H ASP A 60 0.640 -14.520 0.850 1.00 0.00 H ATOM 607 N PRO A 61 -2.008 -11.826 1.282 1.00 49.01 N ATOM 608 CA PRO A 61 -3.125 -11.733 2.228 1.00 37.28 C ATOM 609 C PRO A 61 -4.501 -11.666 1.583 1.00 46.07 C ATOM 610 O PRO A 61 -5.485 -11.471 2.301 1.00 43.04 O ATOM 611 CB PRO A 61 -2.838 -10.421 2.979 1.00 40.50 C ATOM 612 CG PRO A 61 -1.624 -9.799 2.320 1.00 53.49 C ATOM 613 CD PRO A 61 -1.402 -10.507 1.036 1.00 42.45 C ATOM 614 N SER A 62 -4.596 -11.817 0.260 1.00 38.82 N ATOM 615 CA SER A 62 -5.857 -11.559 -0.428 1.00 34.02 C ATOM 616 C SER A 62 -6.966 -12.472 0.078 1.00 36.36 C ATOM 617 O SER A 62 -8.090 -12.021 0.327 1.00 33.92 O ATOM 618 CB SER A 62 -5.670 -11.729 -1.937 1.00 43.47 C ATOM 619 OG SER A 62 -4.791 -10.744 -2.454 1.00 48.04 O ATOM 620 HG SER A 62 -3.909 -10.827 -2.013 1.00 0.00 H ATOM 621 H SER A 62 -3.764 -12.121 -0.285 1.00 0.00 H ATOM 622 N LYS A 63 -6.673 -13.760 0.239 1.00 33.99 N ATOM 623 CA LYS A 63 -7.719 -14.700 0.622 1.00 29.33 C ATOM 624 C LYS A 63 -8.212 -14.435 2.040 1.00 30.54 C ATOM 625 O LYS A 63 -9.422 -14.451 2.295 1.00 32.21 O ATOM 626 CB LYS A 63 -7.203 -16.129 0.488 1.00 41.23 C ATOM 627 CG LYS A 63 -8.269 -17.173 0.683 1.00 50.55 C ATOM 628 CD LYS A 63 -7.673 -18.558 0.685 1.00 51.81 C ATOM 629 CE LYS A 63 -8.760 -19.588 0.825 1.00 49.86 C ATOM 630 NZ LYS A 63 -8.271 -20.836 1.478 1.00 56.20 N ATOM 631 HZ1 LYS A 63 -7.506 -21.248 0.907 1.00 0.00 H ATOM 632 HZ2 LYS A 63 -7.913 -20.611 2.428 1.00 0.00 H ATOM 633 HZ3 LYS A 63 -9.054 -21.516 1.553 1.00 0.00 H ATOM 634 H LYS A 63 -5.700 -14.095 0.092 1.00 0.00 H ATOM 635 N PHE A 64 -7.292 -14.194 2.977 1.00 35.75 N ATOM 636 CA PHE A 64 -7.692 -13.920 4.353 1.00 25.97 C ATOM 637 C PHE A 64 -8.435 -12.594 4.453 1.00 33.94 C ATOM 638 O PHE A 64 -9.488 -12.511 5.097 1.00 29.43 O ATOM 639 CB PHE A 64 -6.458 -13.928 5.258 1.00 29.70 C ATOM 640 CG PHE A 64 -6.772 -13.779 6.721 1.00 35.28 C ATOM 641 CD1 PHE A 64 -7.164 -14.871 7.476 1.00 38.31 C ATOM 642 CD2 PHE A 64 -6.663 -12.547 7.343 1.00 38.80 C ATOM 643 CE1 PHE A 64 -7.448 -14.735 8.822 1.00 35.19 C ATOM 644 CE2 PHE A 64 -6.947 -12.403 8.689 1.00 31.43 C ATOM 645 CZ PHE A 64 -7.339 -13.498 9.430 1.00 33.67 C ATOM 646 H PHE A 64 -6.283 -14.202 2.724 1.00 0.00 H ATOM 647 N ALA A 65 -7.916 -11.550 3.803 1.00 29.70 N ATOM 648 CA ALA A 65 -8.557 -10.239 3.863 1.00 27.93 C ATOM 649 C ALA A 65 -9.986 -10.294 3.340 1.00 31.27 C ATOM 650 O ALA A 65 -10.871 -9.604 3.862 1.00 34.71 O ATOM 651 CB ALA A 65 -7.743 -9.221 3.066 1.00 30.45 C ATOM 652 H ALA A 65 -7.045 -11.672 3.247 1.00 0.00 H ATOM 653 N SER A 66 -10.228 -11.096 2.300 1.00 25.49 N ATOM 654 CA SER A 66 -11.573 -11.187 1.741 1.00 28.74 C ATOM 655 C SER A 66 -12.533 -11.841 2.724 1.00 28.61 C ATOM 656 O SER A 66 -13.703 -11.449 2.812 1.00 29.55 O ATOM 657 CB SER A 66 -11.539 -11.954 0.418 1.00 31.43 C ATOM 658 OG SER A 66 -11.018 -11.147 -0.623 1.00 21.36 O ATOM 659 HG SER A 66 -11.588 -10.345 -0.734 1.00 0.00 H ATOM 660 H SER A 66 -9.456 -11.657 1.887 1.00 0.00 H ATOM 661 N LEU A 67 -12.059 -12.836 3.475 1.00 28.80 N ATOM 662 CA LEU A 67 -12.892 -13.461 4.496 1.00 36.62 C ATOM 663 C LEU A 67 -13.237 -12.466 5.597 1.00 28.30 C ATOM 664 O LEU A 67 -14.400 -12.337 5.996 1.00 30.20 O ATOM 665 CB LEU A 67 -12.170 -14.675 5.077 1.00 29.11 C ATOM 666 CG LEU A 67 -11.936 -15.822 4.093 1.00 33.49 C ATOM 667 CD1 LEU A 67 -10.840 -16.752 4.599 1.00 35.02 C ATOM 668 CD2 LEU A 67 -13.224 -16.591 3.866 1.00 38.16 C ATOM 669 H LEU A 67 -11.085 -13.170 3.331 1.00 0.00 H ATOM 670 N VAL A 68 -12.229 -11.750 6.099 1.00 28.94 N ATOM 671 CA VAL A 68 -12.456 -10.754 7.144 1.00 27.70 C ATOM 672 C VAL A 68 -13.396 -9.663 6.646 1.00 27.23 C ATOM 673 O VAL A 68 -14.262 -9.179 7.388 1.00 26.42 O ATOM 674 CB VAL A 68 -11.111 -10.170 7.615 1.00 31.72 C ATOM 675 CG1 VAL A 68 -11.325 -9.082 8.661 1.00 31.74 C ATOM 676 CG2 VAL A 68 -10.212 -11.277 8.164 1.00 33.83 C ATOM 677 H VAL A 68 -11.265 -11.903 5.740 1.00 0.00 H ATOM 678 N PHE A 69 -13.230 -9.245 5.390 1.00 27.45 N ATOM 679 CA PHE A 69 -14.075 -8.188 4.844 1.00 26.47 C ATOM 680 C PHE A 69 -15.547 -8.549 4.962 1.00 28.41 C ATOM 681 O PHE A 69 -16.374 -7.707 5.332 1.00 24.72 O ATOM 682 CB PHE A 69 -13.710 -7.926 3.383 1.00 26.01 C ATOM 683 CG PHE A 69 -14.528 -6.841 2.744 1.00 26.07 C ATOM 684 CD1 PHE A 69 -14.102 -5.526 2.777 1.00 28.22 C ATOM 685 CD2 PHE A 69 -15.726 -7.136 2.116 1.00 25.48 C ATOM 686 CE1 PHE A 69 -14.854 -4.526 2.188 1.00 26.26 C ATOM 687 CE2 PHE A 69 -16.483 -6.141 1.529 1.00 28.79 C ATOM 688 CZ PHE A 69 -16.046 -4.834 1.568 1.00 27.37 C ATOM 689 H PHE A 69 -12.493 -9.676 4.796 1.00 0.00 H ATOM 690 N ARG A 70 -15.894 -9.800 4.647 1.00 28.82 N ATOM 691 CA ARG A 70 -17.286 -10.228 4.712 1.00 31.48 C ATOM 692 C ARG A 70 -17.851 -10.098 6.122 1.00 25.14 C ATOM 693 O ARG A 70 -19.046 -9.836 6.286 1.00 29.72 O ATOM 694 CB ARG A 70 -17.406 -11.674 4.227 1.00 39.71 C ATOM 695 CG ARG A 70 -16.923 -11.910 2.796 1.00 64.01 C ATOM 696 CD ARG A 70 -17.937 -11.426 1.771 1.00 65.29 C ATOM 697 NE ARG A 70 -17.684 -11.950 0.427 1.00 66.57 N ATOM 698 CZ ARG A 70 -16.648 -11.615 -0.339 1.00 75.72 C ATOM 699 NH1 ARG A 70 -15.729 -10.768 0.100 1.00 55.66 N ATOM 700 NH2 ARG A 70 -16.524 -12.144 -1.548 1.00 84.50 N ATOM 701 HE ARG A 70 -18.365 -12.635 0.042 1.00 0.00 H ATOM 702 HH12 ARG A 70 -14.924 -10.514 -0.507 1.00 0.00 H ATOM 703 HH11 ARG A 70 -15.813 -10.357 1.052 1.00 0.00 H ATOM 704 HH22 ARG A 70 -15.716 -11.884 -2.149 1.00 0.00 H ATOM 705 HH21 ARG A 70 -17.235 -12.819 -1.896 1.00 0.00 H ATOM 706 H ARG A 70 -15.162 -10.477 4.352 1.00 0.00 H ATOM 707 N VAL A 71 -17.020 -10.277 7.148 1.00 24.06 N ATOM 708 CA VAL A 71 -17.503 -10.141 8.519 1.00 23.63 C ATOM 709 C VAL A 71 -17.663 -8.671 8.891 1.00 27.64 C ATOM 710 O VAL A 71 -18.653 -8.290 9.525 1.00 28.33 O ATOM 711 CB VAL A 71 -16.560 -10.879 9.487 1.00 30.83 C ATOM 712 CG1 VAL A 71 -17.093 -10.818 10.917 1.00 27.60 C ATOM 713 CG2 VAL A 71 -16.390 -12.334 9.062 1.00 28.01 C ATOM 714 H VAL A 71 -16.023 -10.515 6.971 1.00 0.00 H ATOM 715 N PHE A 72 -16.697 -7.828 8.507 1.00 28.39 N ATOM 716 CA PHE A 72 -16.828 -6.382 8.697 1.00 22.16 C ATOM 717 C PHE A 72 -18.099 -5.855 8.043 1.00 23.89 C ATOM 718 O PHE A 72 -18.844 -5.069 8.640 1.00 27.93 O ATOM 719 CB PHE A 72 -15.614 -5.664 8.103 1.00 23.94 C ATOM 720 CG PHE A 72 -14.466 -5.485 9.057 1.00 26.33 C ATOM 721 CD1 PHE A 72 -13.686 -6.560 9.443 1.00 25.55 C ATOM 722 CD2 PHE A 72 -14.141 -4.224 9.532 1.00 29.39 C ATOM 723 CE1 PHE A 72 -12.616 -6.387 10.311 1.00 30.15 C ATOM 724 CE2 PHE A 72 -13.074 -4.043 10.395 1.00 32.22 C ATOM 725 CZ PHE A 72 -12.310 -5.128 10.785 1.00 38.23 C ATOM 726 H PHE A 72 -15.836 -8.208 8.065 1.00 0.00 H ATOM 727 N ASP A 73 -18.349 -6.267 6.799 1.00 23.83 N ATOM 728 CA ASP A 73 -19.454 -5.750 5.991 1.00 25.30 C ATOM 729 C ASP A 73 -20.757 -6.404 6.453 1.00 30.83 C ATOM 730 O ASP A 73 -21.358 -7.238 5.774 1.00 34.32 O ATOM 731 CB ASP A 73 -19.180 -6.012 4.515 1.00 33.66 C ATOM 732 CG ASP A 73 -20.293 -5.522 3.611 1.00 33.05 C ATOM 733 OD1 ASP A 73 -21.116 -4.698 4.059 1.00 30.59 O ATOM 734 OD2 ASP A 73 -20.342 -5.968 2.442 1.00 32.58 O ATOM 735 H ASP A 73 -17.728 -6.991 6.383 1.00 0.00 H ATOM 736 N GLU A 74 -21.199 -5.995 7.644 1.00 29.58 N ATOM 737 CA GLU A 74 -22.254 -6.738 8.323 1.00 40.60 C ATOM 738 C GLU A 74 -23.587 -6.638 7.593 1.00 41.54 C ATOM 739 O GLU A 74 -24.417 -7.547 7.710 1.00 45.96 O ATOM 740 CB GLU A 74 -22.400 -6.255 9.768 1.00 57.63 C ATOM 741 CG GLU A 74 -23.360 -7.106 10.589 1.00 56.58 C ATOM 742 CD GLU A 74 -23.181 -6.920 12.081 1.00 74.56 C ATOM 743 OE1 GLU A 74 -22.539 -5.928 12.486 1.00 66.39 O ATOM 744 OE2 GLU A 74 -23.676 -7.773 12.850 1.00 76.50 O ATOM 745 H GLU A 74 -20.791 -5.147 8.087 1.00 0.00 H ATOM 746 N ASN A 75 -23.818 -5.562 6.844 1.00 41.84 N ATOM 747 CA ASN A 75 -25.046 -5.440 6.069 1.00 47.30 C ATOM 748 C ASN A 75 -24.915 -6.017 4.664 1.00 55.40 C ATOM 749 O ASN A 75 -25.914 -6.079 3.940 1.00 46.71 O ATOM 750 CB ASN A 75 -25.499 -3.973 5.993 1.00 41.60 C ATOM 751 CG ASN A 75 -24.589 -3.107 5.138 1.00 46.30 C ATOM 752 OD1 ASN A 75 -23.630 -3.586 4.533 1.00 44.63 O ATOM 753 ND2 ASN A 75 -24.894 -1.816 5.085 1.00 50.23 N ATOM 754 HD22 ASN A 75 -25.714 -1.453 5.612 1.00 0.00 H ATOM 755 HD21 ASN A 75 -24.313 -1.167 4.516 1.00 0.00 H ATOM 756 H ASN A 75 -23.113 -4.798 6.812 1.00 0.00 H ATOM 757 N ASN A 76 -23.715 -6.436 4.263 1.00 50.67 N ATOM 758 CA ASN A 76 -23.515 -7.169 3.015 1.00 44.24 C ATOM 759 C ASN A 76 -23.818 -6.312 1.787 1.00 45.43 C ATOM 760 O ASN A 76 -24.258 -6.826 0.758 1.00 42.16 O ATOM 761 CB ASN A 76 -24.363 -8.445 2.988 1.00 46.15 C ATOM 762 CG ASN A 76 -24.088 -9.358 4.173 1.00 49.02 C ATOM 763 OD1 ASN A 76 -22.955 -9.783 4.394 1.00 60.76 O ATOM 764 ND2 ASN A 76 -25.127 -9.658 4.945 1.00 67.14 N ATOM 765 HD22 ASN A 76 -26.068 -9.277 4.721 1.00 0.00 H ATOM 766 HD21 ASN A 76 -24.999 -10.274 5.773 1.00 0.00 H ATOM 767 H ASN A 76 -22.889 -6.233 4.862 1.00 0.00 H ATOM 768 N ASP A 77 -23.577 -5.004 1.867 1.00 39.19 N ATOM 769 CA ASP A 77 -23.767 -4.127 0.719 1.00 40.07 C ATOM 770 C ASP A 77 -22.493 -3.949 -0.103 1.00 38.41 C ATOM 771 O ASP A 77 -22.480 -3.139 -1.036 1.00 44.45 O ATOM 772 CB ASP A 77 -24.293 -2.762 1.170 1.00 44.41 C ATOM 773 CG ASP A 77 -23.279 -1.978 1.980 1.00 43.50 C ATOM 774 OD1 ASP A 77 -22.188 -2.513 2.261 1.00 49.44 O ATOM 775 OD2 ASP A 77 -23.575 -0.816 2.332 1.00 54.54 O ATOM 776 H ASP A 77 -23.247 -4.601 2.767 1.00 0.00 H ATOM 777 N GLY A 78 -21.430 -4.684 0.218 1.00 34.68 N ATOM 778 CA GLY A 78 -20.210 -4.642 -0.561 1.00 30.13 C ATOM 779 C GLY A 78 -19.215 -3.571 -0.165 1.00 37.05 C ATOM 780 O GLY A 78 -18.157 -3.468 -0.799 1.00 39.01 O ATOM 781 H GLY A 78 -21.477 -5.305 1.051 1.00 0.00 H ATOM 782 N ALA A 79 -19.510 -2.768 0.854 1.00 32.88 N ATOM 783 CA ALA A 79 -18.552 -1.792 1.348 1.00 29.21 C ATOM 784 C ALA A 79 -18.554 -1.796 2.867 1.00 21.77 C ATOM 785 O ALA A 79 -19.548 -2.155 3.505 1.00 26.56 O ATOM 786 CB ALA A 79 -18.851 -0.373 0.848 1.00 42.84 C ATOM 787 H ALA A 79 -20.444 -2.840 1.306 1.00 0.00 H ATOM 788 N ILE A 80 -17.419 -1.401 3.431 1.00 25.69 N ATOM 789 CA ILE A 80 -17.282 -1.161 4.862 1.00 27.22 C ATOM 790 C ILE A 80 -17.436 0.336 5.076 1.00 24.49 C ATOM 791 O ILE A 80 -16.577 1.125 4.666 1.00 26.57 O ATOM 792 CB ILE A 80 -15.937 -1.667 5.399 1.00 27.55 C ATOM 793 CG1 ILE A 80 -15.866 -3.191 5.286 1.00 20.97 C ATOM 794 CG2 ILE A 80 -15.740 -1.227 6.858 1.00 29.24 C ATOM 795 CD1 ILE A 80 -14.499 -3.768 5.605 1.00 29.52 C ATOM 796 H ILE A 80 -16.588 -1.256 2.823 1.00 0.00 H ATOM 797 N GLU A 81 -18.539 0.730 5.695 1.00 27.66 N ATOM 798 CA GLU A 81 -18.722 2.109 6.105 1.00 28.86 C ATOM 799 C GLU A 81 -18.112 2.303 7.491 1.00 30.68 C ATOM 800 O GLU A 81 -17.738 1.347 8.174 1.00 25.81 O ATOM 801 CB GLU A 81 -20.207 2.475 6.087 1.00 28.79 C ATOM 802 CG GLU A 81 -21.058 1.692 7.072 1.00 38.84 C ATOM 803 CD GLU A 81 -22.536 1.728 6.728 1.00 64.45 C ATOM 804 OE1 GLU A 81 -22.876 2.130 5.594 1.00 50.28 O ATOM 805 OE2 GLU A 81 -23.359 1.349 7.590 1.00 74.88 O ATOM 806 H GLU A 81 -19.289 0.036 5.891 1.00 0.00 H ATOM 807 N PHE A 82 -18.004 3.566 7.904 1.00 24.30 N ATOM 808 CA PHE A 82 -17.310 3.870 9.150 1.00 25.78 C ATOM 809 C PHE A 82 -17.953 3.154 10.329 1.00 23.29 C ATOM 810 O PHE A 82 -17.253 2.626 11.201 1.00 26.06 O ATOM 811 CB PHE A 82 -17.293 5.380 9.383 1.00 26.42 C ATOM 812 CG PHE A 82 -16.725 5.777 10.710 1.00 23.70 C ATOM 813 CD1 PHE A 82 -15.369 5.653 10.961 1.00 23.75 C ATOM 814 CD2 PHE A 82 -17.544 6.282 11.706 1.00 28.26 C ATOM 815 CE1 PHE A 82 -14.838 6.020 12.180 1.00 27.58 C ATOM 816 CE2 PHE A 82 -17.018 6.651 12.930 1.00 27.19 C ATOM 817 CZ PHE A 82 -15.661 6.522 13.167 1.00 25.46 C ATOM 818 H PHE A 82 -18.415 4.335 7.337 1.00 0.00 H ATOM 819 N GLU A 83 -19.286 3.116 10.370 1.00 21.73 N ATOM 820 CA GLU A 83 -19.972 2.492 11.496 1.00 22.55 C ATOM 821 C GLU A 83 -19.630 1.009 11.599 1.00 27.91 C ATOM 822 O GLU A 83 -19.443 0.483 12.703 1.00 25.54 O ATOM 823 CB GLU A 83 -21.482 2.690 11.360 1.00 30.23 C ATOM 824 CG GLU A 83 -22.262 2.317 12.612 1.00 40.41 C ATOM 825 CD GLU A 83 -23.734 2.665 12.523 1.00 46.14 C ATOM 826 OE1 GLU A 83 -24.194 3.055 11.428 1.00 45.35 O ATOM 827 OE2 GLU A 83 -24.428 2.552 13.556 1.00 46.05 O ATOM 828 H GLU A 83 -19.839 3.534 9.595 1.00 0.00 H ATOM 829 N GLU A 84 -19.545 0.319 10.460 1.00 28.44 N ATOM 830 CA GLU A 84 -19.164 -1.091 10.472 1.00 25.89 C ATOM 831 C GLU A 84 -17.705 -1.258 10.867 1.00 24.92 C ATOM 832 O GLU A 84 -17.345 -2.222 11.553 1.00 25.57 O ATOM 833 CB GLU A 84 -19.414 -1.712 9.096 1.00 25.57 C ATOM 834 CG GLU A 84 -20.881 -1.807 8.706 1.00 29.54 C ATOM 835 CD GLU A 84 -21.083 -2.115 7.224 1.00 32.51 C ATOM 836 OE1 GLU A 84 -20.189 -1.796 6.411 1.00 26.54 O ATOM 837 OE2 GLU A 84 -22.138 -2.679 6.870 1.00 32.86 O ATOM 838 H GLU A 84 -19.752 0.789 9.556 1.00 0.00 H ATOM 839 N PHE A 85 -16.850 -0.339 10.422 1.00 26.61 N ATOM 840 CA PHE A 85 -15.448 -0.363 10.821 1.00 26.36 C ATOM 841 C PHE A 85 -15.312 -0.278 12.337 1.00 26.68 C ATOM 842 O PHE A 85 -14.593 -1.073 12.953 1.00 25.62 O ATOM 843 CB PHE A 85 -14.704 0.787 10.142 1.00 29.50 C ATOM 844 CG PHE A 85 -13.293 0.968 10.620 1.00 34.98 C ATOM 845 CD1 PHE A 85 -12.286 0.119 10.191 1.00 46.33 C ATOM 846 CD2 PHE A 85 -12.969 1.998 11.486 1.00 35.58 C ATOM 847 CE1 PHE A 85 -10.987 0.288 10.629 1.00 47.05 C ATOM 848 CE2 PHE A 85 -11.673 2.173 11.924 1.00 44.93 C ATOM 849 CZ PHE A 85 -10.681 1.316 11.496 1.00 40.50 C ATOM 850 H PHE A 85 -17.187 0.407 9.780 1.00 0.00 H ATOM 851 N ILE A 86 -16.003 0.681 12.959 1.00 24.47 N ATOM 852 CA ILE A 86 -15.873 0.877 14.401 1.00 22.28 C ATOM 853 C ILE A 86 -16.440 -0.315 15.163 1.00 20.46 C ATOM 854 O ILE A 86 -15.862 -0.761 16.161 1.00 26.38 O ATOM 855 CB ILE A 86 -16.551 2.196 14.819 1.00 30.67 C ATOM 856 CG1 ILE A 86 -15.779 3.394 14.260 1.00 30.18 C ATOM 857 CG2 ILE A 86 -16.674 2.301 16.348 1.00 26.61 C ATOM 858 CD1 ILE A 86 -14.368 3.568 14.820 1.00 36.99 C ATOM 859 H ILE A 86 -16.640 1.294 12.411 1.00 0.00 H ATOM 860 N ARG A 87 -17.576 -0.848 14.716 1.00 23.70 N ATOM 861 CA ARG A 87 -18.194 -1.964 15.431 1.00 25.40 C ATOM 862 C ARG A 87 -17.277 -3.177 15.463 1.00 31.93 C ATOM 863 O ARG A 87 -17.165 -3.855 16.493 1.00 24.28 O ATOM 864 CB ARG A 87 -19.527 -2.325 14.783 1.00 26.61 C ATOM 865 CG ARG A 87 -20.619 -1.362 15.144 1.00 29.31 C ATOM 866 CD ARG A 87 -21.907 -1.644 14.402 1.00 39.46 C ATOM 867 NE ARG A 87 -22.873 -0.597 14.705 1.00 52.13 N ATOM 868 CZ ARG A 87 -23.582 -0.543 15.828 1.00 57.76 C ATOM 869 NH1 ARG A 87 -24.426 0.457 16.031 1.00 50.61 N ATOM 870 NH2 ARG A 87 -23.449 -1.490 16.747 1.00 49.81 N ATOM 871 HE ARG A 87 -23.017 0.154 14.000 1.00 0.00 H ATOM 872 HH12 ARG A 87 -24.981 0.499 16.910 1.00 0.00 H ATOM 873 HH11 ARG A 87 -24.534 1.200 15.312 1.00 0.00 H ATOM 874 HH22 ARG A 87 -24.005 -1.445 17.625 1.00 0.00 H ATOM 875 HH21 ARG A 87 -22.788 -2.278 16.590 1.00 0.00 H ATOM 876 H ARG A 87 -18.024 -0.470 13.857 1.00 0.00 H ATOM 877 N ALA A 88 -16.622 -3.473 14.341 1.00 24.34 N ATOM 878 CA ALA A 88 -15.686 -4.589 14.305 1.00 24.46 C ATOM 879 C ALA A 88 -14.457 -4.301 15.157 1.00 28.29 C ATOM 880 O ALA A 88 -13.992 -5.172 15.901 1.00 29.55 O ATOM 881 CB ALA A 88 -15.285 -4.882 12.859 1.00 27.44 C ATOM 882 H ALA A 88 -16.780 -2.904 13.485 1.00 0.00 H ATOM 883 N LEU A 89 -13.917 -3.084 15.067 1.00 23.94 N ATOM 884 CA LEU A 89 -12.746 -2.739 15.867 1.00 29.21 C ATOM 885 C LEU A 89 -13.058 -2.826 17.357 1.00 23.39 C ATOM 886 O LEU A 89 -12.228 -3.288 18.149 1.00 25.09 O ATOM 887 CB LEU A 89 -12.259 -1.337 15.499 1.00 32.25 C ATOM 888 CG LEU A 89 -10.967 -0.839 16.151 1.00 41.62 C ATOM 889 CD1 LEU A 89 -9.782 -1.731 15.808 1.00 46.44 C ATOM 890 CD2 LEU A 89 -10.692 0.590 15.720 1.00 48.70 C ATOM 891 H LEU A 89 -14.332 -2.379 14.425 1.00 0.00 H ATOM 892 N SER A 90 -14.250 -2.386 17.758 1.00 23.14 N ATOM 893 CA SER A 90 -14.629 -2.451 19.167 1.00 22.41 C ATOM 894 C SER A 90 -14.604 -3.890 19.674 1.00 25.53 C ATOM 895 O SER A 90 -14.054 -4.176 20.745 1.00 23.45 O ATOM 896 CB SER A 90 -16.014 -1.830 19.358 1.00 24.48 C ATOM 897 OG SER A 90 -16.428 -1.895 20.711 1.00 24.93 O ATOM 898 HG SER A 90 -16.465 -2.842 20.998 1.00 0.00 H ATOM 899 H SER A 90 -14.916 -1.993 17.062 1.00 0.00 H ATOM 900 N ILE A 91 -15.191 -4.813 18.911 1.00 22.91 N ATOM 901 CA ILE A 91 -15.235 -6.209 19.333 1.00 21.90 C ATOM 902 C ILE A 91 -13.832 -6.802 19.374 1.00 26.21 C ATOM 903 O ILE A 91 -13.440 -7.438 20.360 1.00 27.46 O ATOM 904 CB ILE A 91 -16.162 -7.018 18.409 1.00 26.43 C ATOM 905 CG1 ILE A 91 -17.611 -6.583 18.611 1.00 30.69 C ATOM 906 CG2 ILE A 91 -16.025 -8.528 18.682 1.00 31.09 C ATOM 907 CD1 ILE A 91 -18.560 -7.098 17.551 1.00 46.42 C ATOM 908 H ILE A 91 -15.622 -4.535 18.006 1.00 0.00 H ATOM 909 N THR A 92 -13.052 -6.611 18.306 1.00 24.11 N ATOM 910 CA THR A 92 -11.776 -7.316 18.205 1.00 35.20 C ATOM 911 C THR A 92 -10.696 -6.717 19.098 1.00 37.17 C ATOM 912 O THR A 92 -9.800 -7.448 19.535 1.00 36.39 O ATOM 913 CB THR A 92 -11.291 -7.349 16.752 1.00 35.16 C ATOM 914 OG1 THR A 92 -11.145 -6.018 16.246 1.00 33.35 O ATOM 915 CG2 THR A 92 -12.274 -8.123 15.890 1.00 27.42 C ATOM 916 HG1 THR A 92 -12.018 -5.554 16.285 1.00 0.00 H ATOM 917 H THR A 92 -13.352 -5.963 17.550 1.00 0.00 H ATOM 918 N SER A 93 -10.750 -5.417 19.391 1.00 28.54 N ATOM 919 CA SER A 93 -9.726 -4.802 20.230 1.00 30.68 C ATOM 920 C SER A 93 -10.147 -4.631 21.683 1.00 35.23 C ATOM 921 O SER A 93 -9.280 -4.595 22.562 1.00 38.04 O ATOM 922 CB SER A 93 -9.321 -3.433 19.671 1.00 36.19 C ATOM 923 OG SER A 93 -10.337 -2.472 19.885 1.00 42.52 O ATOM 924 HG SER A 93 -11.167 -2.765 19.433 1.00 0.00 H ATOM 925 H SER A 93 -11.528 -4.836 19.019 1.00 0.00 H ATOM 926 N ARG A 94 -11.445 -4.531 21.969 1.00 28.08 N ATOM 927 CA ARG A 94 -11.905 -4.264 23.325 1.00 26.23 C ATOM 928 C ARG A 94 -12.994 -5.209 23.814 1.00 28.66 C ATOM 929 O ARG A 94 -13.427 -5.080 24.965 1.00 27.51 O ATOM 930 CB ARG A 94 -12.409 -2.819 23.431 1.00 25.76 C ATOM 931 CG ARG A 94 -11.318 -1.793 23.210 1.00 31.91 C ATOM 932 CD ARG A 94 -11.790 -0.386 23.511 1.00 33.47 C ATOM 933 NE ARG A 94 -10.737 0.589 23.248 1.00 39.70 N ATOM 934 CZ ARG A 94 -10.846 1.893 23.479 1.00 39.47 C ATOM 935 NH1 ARG A 94 -11.967 2.393 23.985 1.00 34.47 N ATOM 936 NH2 ARG A 94 -9.827 2.696 23.206 1.00 42.99 N ATOM 937 HE ARG A 94 -9.841 0.240 22.853 1.00 0.00 H ATOM 938 HH12 ARG A 94 -12.047 3.414 24.164 1.00 0.00 H ATOM 939 HH11 ARG A 94 -12.766 1.763 24.203 1.00 0.00 H ATOM 940 HH22 ARG A 94 -9.907 3.717 23.385 1.00 0.00 H ATOM 941 HH21 ARG A 94 -8.947 2.305 22.813 1.00 0.00 H ATOM 942 H ARG A 94 -12.144 -4.646 21.208 1.00 0.00 H ATOM 943 N GLY A 95 -13.441 -6.153 22.993 1.00 27.79 N ATOM 944 CA GLY A 95 -14.494 -7.049 23.415 1.00 25.98 C ATOM 945 C GLY A 95 -14.026 -8.030 24.471 1.00 28.87 C ATOM 946 O GLY A 95 -12.833 -8.264 24.669 1.00 28.44 O ATOM 947 H GLY A 95 -13.031 -6.248 22.042 1.00 0.00 H ATOM 948 N ASN A 96 -14.994 -8.609 25.173 1.00 26.79 N ATOM 949 CA ASN A 96 -14.684 -9.668 26.115 1.00 29.20 C ATOM 950 C ASN A 96 -14.517 -10.986 25.357 1.00 31.55 C ATOM 951 O ASN A 96 -14.698 -11.062 24.139 1.00 25.80 O ATOM 952 CB ASN A 96 -15.759 -9.749 27.200 1.00 34.35 C ATOM 953 CG ASN A 96 -17.122 -10.146 26.661 1.00 37.88 C ATOM 954 OD1 ASN A 96 -17.239 -10.986 25.769 1.00 32.80 O ATOM 955 ND2 ASN A 96 -18.165 -9.544 27.215 1.00 32.32 N ATOM 956 HD22 ASN A 96 -18.020 -8.840 27.966 1.00 0.00 H ATOM 957 HD21 ASN A 96 -19.128 -9.776 26.898 1.00 0.00 H ATOM 958 H ASN A 96 -15.979 -8.301 25.047 1.00 0.00 H ATOM 959 N LEU A 97 -14.158 -12.043 26.083 1.00 25.66 N ATOM 960 CA LEU A 97 -13.816 -13.295 25.416 1.00 31.09 C ATOM 961 C LEU A 97 -14.999 -13.849 24.631 1.00 28.25 C ATOM 962 O LEU A 97 -14.836 -14.311 23.496 1.00 27.52 O ATOM 963 CB LEU A 97 -13.322 -14.319 26.436 1.00 28.44 C ATOM 964 CG LEU A 97 -12.803 -15.633 25.844 1.00 37.39 C ATOM 965 CD1 LEU A 97 -11.611 -15.393 24.918 1.00 61.45 C ATOM 966 CD2 LEU A 97 -12.424 -16.599 26.955 1.00 40.15 C ATOM 967 H LEU A 97 -14.122 -11.977 27.120 1.00 0.00 H ATOM 968 N ASP A 98 -16.199 -13.804 25.211 1.00 24.75 N ATOM 969 CA ASP A 98 -17.366 -14.338 24.517 1.00 26.64 C ATOM 970 C ASP A 98 -17.669 -13.540 23.252 1.00 28.25 C ATOM 971 O ASP A 98 -18.038 -14.117 22.223 1.00 27.15 O ATOM 972 CB ASP A 98 -18.569 -14.349 25.459 1.00 35.68 C ATOM 973 CG ASP A 98 -18.430 -15.379 26.568 1.00 55.69 C ATOM 974 OD1 ASP A 98 -17.816 -16.440 26.325 1.00 45.01 O ATOM 975 OD2 ASP A 98 -18.930 -15.128 27.684 1.00 65.09 O ATOM 976 H ASP A 98 -16.303 -13.388 26.159 1.00 0.00 H ATOM 977 N GLU A 99 -17.512 -12.217 23.307 1.00 22.88 N ATOM 978 CA GLU A 99 -17.740 -11.385 22.128 1.00 23.43 C ATOM 979 C GLU A 99 -16.730 -11.689 21.027 1.00 23.77 C ATOM 980 O GLU A 99 -17.094 -11.776 19.847 1.00 24.08 O ATOM 981 CB GLU A 99 -17.673 -9.908 22.517 1.00 25.75 C ATOM 982 CG GLU A 99 -18.789 -9.455 23.441 1.00 27.95 C ATOM 983 CD GLU A 99 -18.610 -8.017 23.905 1.00 31.39 C ATOM 984 OE1 GLU A 99 -19.585 -7.242 23.839 1.00 38.69 O ATOM 985 OE2 GLU A 99 -17.491 -7.660 24.330 1.00 28.33 O ATOM 986 H GLU A 99 -17.223 -11.771 24.201 1.00 0.00 H ATOM 987 N LYS A 100 -15.455 -11.842 21.391 1.00 24.11 N ATOM 988 CA LYS A 100 -14.428 -12.156 20.402 1.00 22.16 C ATOM 989 C LYS A 100 -14.629 -13.549 19.813 1.00 24.84 C ATOM 990 O LYS A 100 -14.386 -13.767 18.621 1.00 23.56 O ATOM 991 CB LYS A 100 -13.042 -12.047 21.036 1.00 24.45 C ATOM 992 CG LYS A 100 -12.624 -10.628 21.404 1.00 25.82 C ATOM 993 CD LYS A 100 -11.302 -10.626 22.160 1.00 37.93 C ATOM 994 CE LYS A 100 -10.790 -9.216 22.404 1.00 46.65 C ATOM 995 NZ LYS A 100 -9.749 -9.178 23.469 1.00 65.76 N ATOM 996 HZ1 LYS A 100 -10.151 -9.537 24.358 1.00 0.00 H ATOM 997 HZ2 LYS A 100 -8.944 -9.773 23.186 1.00 0.00 H ATOM 998 HZ3 LYS A 100 -9.428 -8.198 23.603 1.00 0.00 H ATOM 999 H LYS A 100 -15.190 -11.736 22.391 1.00 0.00 H ATOM 1000 N LEU A 101 -15.065 -14.507 20.631 1.00 23.70 N ATOM 1001 CA LEU A 101 -15.236 -15.867 20.131 1.00 24.95 C ATOM 1002 C LEU A 101 -16.416 -15.950 19.168 1.00 20.52 C ATOM 1003 O LEU A 101 -16.372 -16.702 18.189 1.00 24.05 O ATOM 1004 CB LEU A 101 -15.385 -16.835 21.306 1.00 35.25 C ATOM 1005 CG LEU A 101 -14.112 -16.978 22.162 1.00 54.32 C ATOM 1006 CD1 LEU A 101 -14.313 -17.900 23.355 1.00 62.42 C ATOM 1007 CD2 LEU A 101 -12.943 -17.488 21.348 1.00 64.43 C ATOM 1008 H LEU A 101 -15.283 -14.285 21.624 1.00 0.00 H ATOM 1009 N HIS A 102 -17.475 -15.181 19.418 1.00 22.96 N ATOM 1010 CA HIS A 102 -18.574 -15.127 18.460 1.00 21.92 C ATOM 1011 C HIS A 102 -18.121 -14.493 17.150 1.00 25.04 C ATOM 1012 O HIS A 102 -18.508 -14.945 16.067 1.00 23.90 O ATOM 1013 CB HIS A 102 -19.755 -14.359 19.054 1.00 27.64 C ATOM 1014 CG HIS A 102 -21.029 -14.513 18.281 1.00 33.56 C ATOM 1015 ND1 HIS A 102 -22.260 -14.189 18.809 1.00 31.37 N ATOM 1016 CD2 HIS A 102 -21.266 -14.958 17.024 1.00 34.77 C ATOM 1017 CE1 HIS A 102 -23.199 -14.426 17.912 1.00 32.95 C ATOM 1018 NE2 HIS A 102 -22.623 -14.892 16.819 1.00 37.86 N ATOM 1019 H HIS A 102 -17.518 -14.621 20.293 1.00 0.00 H ATOM 1020 N TRP A 103 -17.291 -13.451 17.227 1.00 22.22 N ATOM 1021 CA TRP A 103 -16.776 -12.831 16.012 1.00 24.98 C ATOM 1022 C TRP A 103 -15.936 -13.829 15.223 1.00 24.61 C ATOM 1023 O TRP A 103 -16.086 -13.963 14.003 1.00 26.14 O ATOM 1024 CB TRP A 103 -15.961 -11.590 16.375 1.00 27.78 C ATOM 1025 CG TRP A 103 -15.820 -10.589 15.274 1.00 27.80 C ATOM 1026 CD1 TRP A 103 -16.618 -9.506 15.044 1.00 35.24 C ATOM 1027 CD2 TRP A 103 -14.808 -10.562 14.262 1.00 26.47 C ATOM 1028 NE1 TRP A 103 -16.171 -8.809 13.949 1.00 33.61 N ATOM 1029 CE2 TRP A 103 -15.059 -9.435 13.451 1.00 27.88 C ATOM 1030 CE3 TRP A 103 -13.717 -11.380 13.960 1.00 29.71 C ATOM 1031 CZ2 TRP A 103 -14.261 -9.111 12.357 1.00 38.84 C ATOM 1032 CZ3 TRP A 103 -12.927 -11.057 12.873 1.00 41.59 C ATOM 1033 CH2 TRP A 103 -13.202 -9.933 12.086 1.00 43.20 C ATOM 1034 HE1 TRP A 103 -16.605 -7.947 13.561 1.00 0.00 H ATOM 1035 H TRP A 103 -17.010 -13.080 18.157 1.00 0.00 H ATOM 1036 N ALA A 104 -15.058 -14.557 15.917 1.00 20.73 N ATOM 1037 CA ALA A 104 -14.282 -15.617 15.278 1.00 23.02 C ATOM 1038 C ALA A 104 -15.188 -16.659 14.630 1.00 23.82 C ATOM 1039 O ALA A 104 -14.894 -17.154 13.534 1.00 22.16 O ATOM 1040 CB ALA A 104 -13.366 -16.277 16.307 1.00 21.52 C ATOM 1041 H ALA A 104 -14.924 -14.366 16.931 1.00 0.00 H ATOM 1042 N PHE A 105 -16.289 -17.015 15.297 1.00 23.54 N ATOM 1043 CA PHE A 105 -17.218 -17.982 14.719 1.00 20.59 C ATOM 1044 C PHE A 105 -17.772 -17.478 13.395 1.00 25.07 C ATOM 1045 O PHE A 105 -17.870 -18.234 12.421 1.00 24.36 O ATOM 1046 CB PHE A 105 -18.359 -18.265 15.696 1.00 25.29 C ATOM 1047 CG PHE A 105 -19.319 -19.310 15.210 1.00 24.70 C ATOM 1048 CD1 PHE A 105 -20.441 -18.958 14.478 1.00 30.02 C ATOM 1049 CD2 PHE A 105 -19.092 -20.650 15.477 1.00 24.41 C ATOM 1050 CE1 PHE A 105 -21.323 -19.926 14.026 1.00 25.27 C ATOM 1051 CE2 PHE A 105 -19.968 -21.620 15.028 1.00 27.28 C ATOM 1052 CZ PHE A 105 -21.085 -21.257 14.302 1.00 24.55 C ATOM 1053 H PHE A 105 -16.485 -16.602 16.231 1.00 0.00 H ATOM 1054 N ARG A 106 -18.145 -16.199 13.338 1.00 23.00 N ATOM 1055 CA ARG A 106 -18.664 -15.645 12.095 1.00 23.97 C ATOM 1056 C ARG A 106 -17.630 -15.713 10.981 1.00 26.30 C ATOM 1057 O ARG A 106 -17.990 -15.897 9.812 1.00 24.23 O ATOM 1058 CB ARG A 106 -19.110 -14.201 12.313 1.00 26.02 C ATOM 1059 CG ARG A 106 -20.276 -14.043 13.287 1.00 28.15 C ATOM 1060 CD ARG A 106 -20.492 -12.571 13.620 1.00 43.63 C ATOM 1061 NE ARG A 106 -20.648 -11.761 12.413 1.00 41.73 N ATOM 1062 CZ ARG A 106 -20.242 -10.499 12.282 1.00 53.87 C ATOM 1063 NH1 ARG A 106 -19.630 -9.873 13.280 1.00 55.10 N ATOM 1064 NH2 ARG A 106 -20.437 -9.862 11.135 1.00 60.32 N ATOM 1065 HE ARG A 106 -21.111 -12.204 11.594 1.00 0.00 H ATOM 1066 HH12 ARG A 106 -19.319 -8.888 13.163 1.00 0.00 H ATOM 1067 HH11 ARG A 106 -19.462 -10.368 14.179 1.00 0.00 H ATOM 1068 HH22 ARG A 106 -20.122 -8.877 11.027 1.00 0.00 H ATOM 1069 HH21 ARG A 106 -20.905 -10.348 10.343 1.00 0.00 H ATOM 1070 H ARG A 106 -18.065 -15.596 14.182 1.00 0.00 H ATOM 1071 N LEU A 107 -16.348 -15.562 11.321 1.00 24.10 N ATOM 1072 CA LEU A 107 -15.292 -15.671 10.321 1.00 23.51 C ATOM 1073 C LEU A 107 -15.172 -17.102 9.809 1.00 24.87 C ATOM 1074 O LEU A 107 -15.104 -17.334 8.596 1.00 31.69 O ATOM 1075 CB LEU A 107 -13.963 -15.192 10.912 1.00 24.34 C ATOM 1076 CG LEU A 107 -12.748 -15.157 9.978 1.00 33.97 C ATOM 1077 CD1 LEU A 107 -12.925 -14.098 8.906 1.00 40.38 C ATOM 1078 CD2 LEU A 107 -11.466 -14.908 10.760 1.00 40.65 C ATOM 1079 H LEU A 107 -16.099 -15.364 12.311 1.00 0.00 H ATOM 1080 N TYR A 108 -15.157 -18.080 10.721 1.00 27.29 N ATOM 1081 CA TYR A 108 -15.003 -19.477 10.316 1.00 26.92 C ATOM 1082 C TYR A 108 -16.238 -19.999 9.585 1.00 34.25 C ATOM 1083 O TYR A 108 -16.115 -20.860 8.707 1.00 30.68 O ATOM 1084 CB TYR A 108 -14.704 -20.354 11.534 1.00 28.16 C ATOM 1085 CG TYR A 108 -13.245 -20.389 11.950 1.00 22.76 C ATOM 1086 CD1 TYR A 108 -12.305 -21.085 11.201 1.00 31.52 C ATOM 1087 CD2 TYR A 108 -12.813 -19.744 13.102 1.00 31.39 C ATOM 1088 CE1 TYR A 108 -10.976 -21.130 11.581 1.00 28.43 C ATOM 1089 CE2 TYR A 108 -11.484 -19.783 13.488 1.00 25.65 C ATOM 1090 CZ TYR A 108 -10.572 -20.477 12.724 1.00 31.43 C ATOM 1091 OH TYR A 108 -9.251 -20.514 13.106 1.00 36.87 O ATOM 1092 HH TYR A 108 -9.180 -20.926 14.003 1.00 0.00 H ATOM 1093 H TYR A 108 -15.256 -17.845 11.729 1.00 0.00 H ATOM 1094 N ASP A 109 -17.429 -19.503 9.930 1.00 25.85 N ATOM 1095 CA ASP A 109 -18.679 -19.941 9.300 1.00 21.22 C ATOM 1096 C ASP A 109 -18.867 -19.199 7.973 1.00 27.22 C ATOM 1097 O ASP A 109 -19.707 -18.310 7.823 1.00 30.21 O ATOM 1098 CB ASP A 109 -19.853 -19.709 10.242 1.00 23.86 C ATOM 1099 CG ASP A 109 -21.187 -20.123 9.635 1.00 34.22 C ATOM 1100 OD1 ASP A 109 -21.192 -20.771 8.566 1.00 26.63 O ATOM 1101 OD2 ASP A 109 -22.237 -19.795 10.230 1.00 26.09 O ATOM 1102 H ASP A 109 -17.472 -18.778 10.674 1.00 0.00 H ATOM 1103 N VAL A 110 -18.075 -19.611 6.982 1.00 32.09 N ATOM 1104 CA VAL A 110 -17.958 -18.829 5.753 1.00 35.55 C ATOM 1105 C VAL A 110 -19.314 -18.673 5.070 1.00 42.31 C ATOM 1106 O VAL A 110 -19.643 -17.592 4.568 1.00 33.77 O ATOM 1107 CB VAL A 110 -16.914 -19.459 4.808 1.00 44.45 C ATOM 1108 CG1 VAL A 110 -16.693 -18.564 3.593 1.00 50.54 C ATOM 1109 CG2 VAL A 110 -15.583 -19.681 5.535 1.00 38.80 C ATOM 1110 H VAL A 110 -17.537 -20.495 7.085 1.00 0.00 H ATOM 1111 N ASP A 111 -20.124 -19.733 5.036 1.00 31.01 N ATOM 1112 CA ASP A 111 -21.413 -19.663 4.353 1.00 31.33 C ATOM 1113 C ASP A 111 -22.556 -19.226 5.270 1.00 30.22 C ATOM 1114 O ASP A 111 -23.717 -19.245 4.846 1.00 30.53 O ATOM 1115 CB ASP A 111 -21.741 -21.006 3.686 1.00 29.33 C ATOM 1116 CG ASP A 111 -22.027 -22.109 4.679 1.00 43.54 C ATOM 1117 OD1 ASP A 111 -21.910 -21.877 5.900 1.00 40.74 O ATOM 1118 OD2 ASP A 111 -22.374 -23.222 4.224 1.00 37.29 O ATOM 1119 H ASP A 111 -19.835 -20.617 5.500 1.00 0.00 H ATOM 1120 N ASN A 112 -22.255 -18.839 6.513 1.00 28.76 N ATOM 1121 CA ASN A 112 -23.236 -18.221 7.409 1.00 30.59 C ATOM 1122 C ASN A 112 -24.461 -19.111 7.618 1.00 37.77 C ATOM 1123 O ASN A 112 -25.596 -18.634 7.659 1.00 30.93 O ATOM 1124 CB ASN A 112 -23.658 -16.846 6.886 1.00 36.38 C ATOM 1125 CG ASN A 112 -24.431 -16.040 7.915 1.00 34.07 C ATOM 1126 OD1 ASN A 112 -24.096 -16.037 9.100 1.00 45.86 O ATOM 1127 ND2 ASN A 112 -25.478 -15.357 7.466 1.00 36.46 N ATOM 1128 HD22 ASN A 112 -25.725 -15.388 6.456 1.00 0.00 H ATOM 1129 HD21 ASN A 112 -26.051 -14.791 8.124 1.00 0.00 H ATOM 1130 H ASN A 112 -21.285 -18.982 6.859 1.00 0.00 H ATOM 1131 N ASP A 113 -24.239 -20.416 7.776 1.00 27.38 N ATOM 1132 CA ASP A 113 -25.347 -21.341 8.000 1.00 27.23 C ATOM 1133 C ASP A 113 -25.498 -21.750 9.462 1.00 31.31 C ATOM 1134 O ASP A 113 -26.351 -22.590 9.771 1.00 27.01 O ATOM 1135 CB ASP A 113 -25.190 -22.592 7.124 1.00 27.43 C ATOM 1136 CG ASP A 113 -24.121 -23.539 7.633 1.00 30.93 C ATOM 1137 OD1 ASP A 113 -23.203 -23.082 8.342 1.00 29.27 O ATOM 1138 OD2 ASP A 113 -24.195 -24.749 7.313 1.00 35.49 O ATOM 1139 H ASP A 113 -23.265 -20.780 7.739 1.00 0.00 H ATOM 1140 N GLY A 114 -24.709 -21.174 10.367 1.00 27.51 N ATOM 1141 CA GLY A 114 -24.803 -21.501 11.775 1.00 28.03 C ATOM 1142 C GLY A 114 -23.876 -22.603 12.236 1.00 23.43 C ATOM 1143 O GLY A 114 -23.898 -22.952 13.425 1.00 25.90 O ATOM 1144 H GLY A 114 -24.008 -20.472 10.055 1.00 0.00 H ATOM 1145 N TYR A 115 -23.057 -23.151 11.342 1.00 22.76 N ATOM 1146 CA TYR A 115 -22.148 -24.239 11.665 1.00 23.17 C ATOM 1147 C TYR A 115 -20.799 -23.999 11.004 1.00 23.51 C ATOM 1148 O TYR A 115 -20.720 -23.448 9.904 1.00 26.20 O ATOM 1149 CB TYR A 115 -22.676 -25.595 11.179 1.00 24.39 C ATOM 1150 CG TYR A 115 -23.946 -26.084 11.833 1.00 23.63 C ATOM 1151 CD1 TYR A 115 -23.907 -26.776 13.037 1.00 27.08 C ATOM 1152 CD2 TYR A 115 -25.181 -25.889 11.229 1.00 25.72 C ATOM 1153 CE1 TYR A 115 -25.062 -27.241 13.632 1.00 25.97 C ATOM 1154 CE2 TYR A 115 -26.344 -26.351 11.818 1.00 31.45 C ATOM 1155 CZ TYR A 115 -26.276 -27.029 13.020 1.00 28.45 C ATOM 1156 OH TYR A 115 -27.424 -27.494 13.617 1.00 34.70 O ATOM 1157 HH TYR A 115 -27.192 -27.952 14.464 1.00 0.00 H ATOM 1158 H TYR A 115 -23.067 -22.785 10.369 1.00 0.00 H ATOM 1159 N ILE A 116 -19.738 -24.450 11.672 1.00 27.76 N ATOM 1160 CA ILE A 116 -18.412 -24.545 11.070 1.00 24.20 C ATOM 1161 C ILE A 116 -18.184 -25.993 10.661 1.00 25.05 C ATOM 1162 O ILE A 116 -18.336 -26.907 11.481 1.00 29.62 O ATOM 1163 CB ILE A 116 -17.307 -24.083 12.036 1.00 24.76 C ATOM 1164 CG1 ILE A 116 -17.514 -22.626 12.468 1.00 23.99 C ATOM 1165 CG2 ILE A 116 -15.936 -24.231 11.375 1.00 28.14 C ATOM 1166 CD1 ILE A 116 -16.681 -22.252 13.683 1.00 25.48 C ATOM 1167 H ILE A 116 -19.860 -24.746 12.662 1.00 0.00 H ATOM 1168 N THR A 117 -17.816 -26.202 9.405 1.00 32.93 N ATOM 1169 CA THR A 117 -17.412 -27.513 8.919 1.00 35.72 C ATOM 1170 C THR A 117 -15.890 -27.629 8.931 1.00 42.97 C ATOM 1171 O THR A 117 -15.165 -26.641 9.068 1.00 31.84 O ATOM 1172 CB THR A 117 -17.944 -27.752 7.504 1.00 34.07 C ATOM 1173 OG1 THR A 117 -17.307 -26.842 6.600 1.00 34.46 O ATOM 1174 CG2 THR A 117 -19.454 -27.546 7.445 1.00 40.62 C ATOM 1175 HG1 THR A 117 -17.650 -26.995 5.684 1.00 0.00 H ATOM 1176 H THR A 117 -17.816 -25.400 8.743 1.00 0.00 H ATOM 1177 N ARG A 118 -15.406 -28.867 8.790 1.00 37.17 N ATOM 1178 CA ARG A 118 -13.973 -29.085 8.613 1.00 43.92 C ATOM 1179 C ARG A 118 -13.442 -28.247 7.465 1.00 32.10 C ATOM 1180 O ARG A 118 -12.413 -27.574 7.589 1.00 41.82 O ATOM 1181 CB ARG A 118 -13.684 -30.563 8.342 1.00 40.79 C ATOM 1182 CG ARG A 118 -13.939 -31.464 9.511 1.00 49.94 C ATOM 1183 CD ARG A 118 -13.764 -32.925 9.138 1.00 44.44 C ATOM 1184 NE ARG A 118 -14.379 -33.758 10.162 1.00 41.41 N ATOM 1185 CZ ARG A 118 -13.833 -34.003 11.346 1.00 41.57 C ATOM 1186 NH1 ARG A 118 -12.643 -33.499 11.653 1.00 56.93 N ATOM 1187 NH2 ARG A 118 -14.478 -34.756 12.224 1.00 56.85 N ATOM 1188 HE ARG A 118 -15.303 -34.187 9.952 1.00 0.00 H ATOM 1189 HH12 ARG A 118 -12.220 -33.694 12.583 1.00 0.00 H ATOM 1190 HH11 ARG A 118 -12.135 -32.909 10.964 1.00 0.00 H ATOM 1191 HH22 ARG A 118 -14.054 -34.951 13.153 1.00 0.00 H ATOM 1192 HH21 ARG A 118 -15.409 -35.153 11.984 1.00 0.00 H ATOM 1193 H ARG A 118 -16.054 -29.680 8.806 1.00 0.00 H ATOM 1194 N GLU A 119 -14.138 -28.291 6.327 1.00 30.42 N ATOM 1195 CA GLU A 119 -13.667 -27.603 5.133 1.00 32.06 C ATOM 1196 C GLU A 119 -13.638 -26.097 5.335 1.00 39.62 C ATOM 1197 O GLU A 119 -12.753 -25.415 4.804 1.00 35.80 O ATOM 1198 CB GLU A 119 -14.551 -27.973 3.943 1.00 42.15 C ATOM 1199 CG GLU A 119 -14.387 -29.422 3.474 1.00 53.22 C ATOM 1200 CD GLU A 119 -14.979 -30.445 4.438 1.00 61.96 C ATOM 1201 OE1 GLU A 119 -15.839 -30.075 5.268 1.00 47.64 O ATOM 1202 OE2 GLU A 119 -14.579 -31.627 4.364 1.00 62.96 O ATOM 1203 H GLU A 119 -15.030 -28.825 6.292 1.00 0.00 H ATOM 1204 N GLU A 120 -14.587 -25.559 6.100 1.00 32.88 N ATOM 1205 CA GLU A 120 -14.537 -24.139 6.420 1.00 32.20 C ATOM 1206 C GLU A 120 -13.338 -23.828 7.308 1.00 27.78 C ATOM 1207 O GLU A 120 -12.655 -22.817 7.105 1.00 31.15 O ATOM 1208 CB GLU A 120 -15.849 -23.707 7.077 1.00 29.98 C ATOM 1209 CG GLU A 120 -17.011 -23.639 6.088 1.00 30.09 C ATOM 1210 CD GLU A 120 -18.342 -23.281 6.729 1.00 29.71 C ATOM 1211 OE1 GLU A 120 -18.597 -23.702 7.876 1.00 28.14 O ATOM 1212 OE2 GLU A 120 -19.145 -22.578 6.080 1.00 32.44 O ATOM 1213 H GLU A 120 -15.360 -26.150 6.467 1.00 0.00 H ATOM 1214 N MET A 121 -13.040 -24.702 8.272 1.00 31.99 N ATOM 1215 CA MET A 121 -11.860 -24.502 9.108 1.00 32.92 C ATOM 1216 C MET A 121 -10.581 -24.566 8.273 1.00 39.92 C ATOM 1217 O MET A 121 -9.685 -23.728 8.430 1.00 41.22 O ATOM 1218 CB MET A 121 -11.841 -25.537 10.234 1.00 41.72 C ATOM 1219 CG MET A 121 -10.996 -25.148 11.440 1.00 50.78 C ATOM 1220 SD MET A 121 -11.536 -25.955 12.968 1.00 41.86 S ATOM 1221 CE MET A 121 -12.605 -24.697 13.659 1.00 43.83 C ATOM 1222 H MET A 121 -13.651 -25.529 8.428 1.00 0.00 H ATOM 1223 N TYR A 122 -10.478 -25.551 7.370 1.00 35.09 N ATOM 1224 CA TYR A 122 -9.335 -25.595 6.458 1.00 38.94 C ATOM 1225 C TYR A 122 -9.194 -24.285 5.702 1.00 40.18 C ATOM 1226 O TYR A 122 -8.084 -23.768 5.526 1.00 42.43 O ATOM 1227 CB TYR A 122 -9.480 -26.723 5.435 1.00 43.75 C ATOM 1228 CG TYR A 122 -9.608 -28.117 5.982 1.00 48.73 C ATOM 1229 CD1 TYR A 122 -9.200 -28.436 7.269 1.00 57.10 C ATOM 1230 CD2 TYR A 122 -10.131 -29.130 5.188 1.00 52.51 C ATOM 1231 CE1 TYR A 122 -9.321 -29.724 7.748 1.00 53.06 C ATOM 1232 CE2 TYR A 122 -10.254 -30.409 5.659 1.00 52.36 C ATOM 1233 CZ TYR A 122 -9.853 -30.702 6.936 1.00 50.31 C ATOM 1234 OH TYR A 122 -9.974 -31.988 7.398 1.00 70.27 O ATOM 1235 HH TYR A 122 -9.644 -32.035 8.330 1.00 0.00 H ATOM 1236 H TYR A 122 -11.212 -26.286 7.318 1.00 0.00 H ATOM 1237 N ASN A 123 -10.318 -23.746 5.229 1.00 43.96 N ATOM 1238 CA ASN A 123 -10.284 -22.574 4.364 1.00 32.87 C ATOM 1239 C ASN A 123 -9.649 -21.385 5.071 1.00 39.59 C ATOM 1240 O ASN A 123 -8.822 -20.679 4.485 1.00 36.07 O ATOM 1241 CB ASN A 123 -11.702 -22.247 3.897 1.00 42.82 C ATOM 1242 CG ASN A 123 -11.750 -21.054 2.973 1.00 49.08 C ATOM 1243 OD1 ASN A 123 -10.728 -20.443 2.684 1.00 66.22 O ATOM 1244 ND2 ASN A 123 -12.943 -20.723 2.493 1.00 52.96 N ATOM 1245 HD22 ASN A 123 -13.784 -21.271 2.766 1.00 0.00 H ATOM 1246 HD21 ASN A 123 -13.037 -19.916 1.844 1.00 0.00 H ATOM 1247 H ASN A 123 -11.234 -24.169 5.482 1.00 0.00 H ATOM 1248 N ILE A 124 -10.014 -21.149 6.333 1.00 32.92 N ATOM 1249 CA ILE A 124 -9.407 -20.052 7.082 1.00 34.69 C ATOM 1250 C ILE A 124 -7.931 -20.333 7.328 1.00 38.81 C ATOM 1251 O ILE A 124 -7.083 -19.447 7.170 1.00 34.01 O ATOM 1252 CB ILE A 124 -10.171 -19.812 8.400 1.00 29.54 C ATOM 1253 CG1 ILE A 124 -11.348 -18.862 8.171 1.00 34.86 C ATOM 1254 CG2 ILE A 124 -9.261 -19.208 9.473 1.00 30.18 C ATOM 1255 CD1 ILE A 124 -12.396 -19.374 7.214 1.00 35.74 C ATOM 1256 H ILE A 124 -10.734 -21.749 6.785 1.00 0.00 H ATOM 1257 N VAL A 125 -7.598 -21.565 7.720 1.00 37.98 N ATOM 1258 CA VAL A 125 -6.210 -21.895 8.038 1.00 38.72 C ATOM 1259 C VAL A 125 -5.333 -21.721 6.805 1.00 31.02 C ATOM 1260 O VAL A 125 -4.242 -21.142 6.874 1.00 39.48 O ATOM 1261 CB VAL A 125 -6.115 -23.323 8.608 1.00 43.51 C ATOM 1262 CG1 VAL A 125 -4.657 -23.773 8.733 1.00 47.60 C ATOM 1263 CG2 VAL A 125 -6.790 -23.381 9.970 1.00 38.88 C ATOM 1264 H VAL A 125 -8.333 -22.297 7.800 1.00 0.00 H ATOM 1265 N ASP A 126 -5.799 -22.217 5.657 1.00 34.72 N ATOM 1266 CA ASP A 126 -5.053 -22.022 4.419 1.00 43.16 C ATOM 1267 C ASP A 126 -4.886 -20.541 4.110 1.00 36.30 C ATOM 1268 O ASP A 126 -3.803 -20.100 3.707 1.00 44.50 O ATOM 1269 CB ASP A 126 -5.755 -22.729 3.262 1.00 49.09 C ATOM 1270 CG ASP A 126 -4.992 -22.600 1.959 1.00 57.88 C ATOM 1271 OD1 ASP A 126 -3.817 -23.024 1.912 1.00 60.04 O ATOM 1272 OD2 ASP A 126 -5.565 -22.074 0.983 1.00 50.54 O ATOM 1273 H ASP A 126 -6.696 -22.744 5.645 1.00 0.00 H ATOM 1274 N ALA A 127 -5.947 -19.755 4.294 1.00 34.78 N ATOM 1275 CA ALA A 127 -5.856 -18.320 4.049 1.00 37.65 C ATOM 1276 C ALA A 127 -4.753 -17.686 4.887 1.00 35.11 C ATOM 1277 O ALA A 127 -4.008 -16.828 4.400 1.00 33.07 O ATOM 1278 CB ALA A 127 -7.201 -17.655 4.342 1.00 36.77 C ATOM 1279 H ALA A 127 -6.846 -20.168 4.615 1.00 0.00 H ATOM 1280 N ILE A 128 -4.629 -18.102 6.149 1.00 38.66 N ATOM 1281 CA ILE A 128 -3.616 -17.531 7.032 1.00 38.04 C ATOM 1282 C ILE A 128 -2.218 -17.876 6.533 1.00 38.95 C ATOM 1283 O ILE A 128 -1.333 -17.014 6.478 1.00 48.16 O ATOM 1284 CB ILE A 128 -3.842 -18.009 8.479 1.00 37.75 C ATOM 1285 CG1 ILE A 128 -5.102 -17.353 9.054 1.00 36.46 C ATOM 1286 CG2 ILE A 128 -2.634 -17.683 9.366 1.00 35.82 C ATOM 1287 CD1 ILE A 128 -5.560 -17.938 10.384 1.00 46.12 C ATOM 1288 H ILE A 128 -5.263 -18.844 6.509 1.00 0.00 H ATOM 1289 N TYR A 129 -1.992 -19.141 6.167 1.00 36.17 N ATOM 1290 CA TYR A 129 -0.671 -19.544 5.691 1.00 43.01 C ATOM 1291 C TYR A 129 -0.277 -18.777 4.435 1.00 48.85 C ATOM 1292 O TYR A 129 0.892 -18.408 4.266 1.00 47.06 O ATOM 1293 CB TYR A 129 -0.634 -21.049 5.428 1.00 46.05 C ATOM 1294 CG TYR A 129 -0.279 -21.877 6.644 1.00 46.95 C ATOM 1295 CD1 TYR A 129 0.976 -21.777 7.234 1.00 63.44 C ATOM 1296 CD2 TYR A 129 -1.191 -22.769 7.192 1.00 45.79 C ATOM 1297 CE1 TYR A 129 1.308 -22.534 8.341 1.00 74.16 C ATOM 1298 CE2 TYR A 129 -0.869 -23.532 8.299 1.00 56.37 C ATOM 1299 CZ TYR A 129 0.381 -23.410 8.869 1.00 74.91 C ATOM 1300 OH TYR A 129 0.704 -24.168 9.971 1.00 97.93 O ATOM 1301 HH TYR A 129 1.630 -23.961 10.252 1.00 0.00 H ATOM 1302 H TYR A 129 -2.759 -19.841 6.221 1.00 0.00 H ATOM 1303 N GLN A 130 -1.233 -18.536 3.533 1.00 36.49 N ATOM 1304 CA GLN A 130 -0.941 -17.727 2.354 1.00 39.14 C ATOM 1305 C GLN A 130 -0.458 -16.342 2.756 1.00 43.20 C ATOM 1306 O GLN A 130 0.486 -15.804 2.167 1.00 51.82 O ATOM 1307 CB GLN A 130 -2.182 -17.610 1.471 1.00 36.42 C ATOM 1308 CG GLN A 130 -2.633 -18.905 0.826 1.00 38.96 C ATOM 1309 CD GLN A 130 -3.753 -18.686 -0.175 1.00 48.30 C ATOM 1310 OE1 GLN A 130 -3.841 -17.631 -0.805 1.00 50.34 O ATOM 1311 NE2 GLN A 130 -4.622 -19.679 -0.320 1.00 56.07 N ATOM 1312 HE22 GLN A 130 -4.510 -20.553 0.232 1.00 0.00 H ATOM 1313 HE21 GLN A 130 -5.415 -19.583 -0.986 1.00 0.00 H ATOM 1314 H GLN A 130 -2.187 -18.926 3.671 1.00 0.00 H ATOM 1315 N MET A 131 -1.096 -15.757 3.769 1.00 42.86 N ATOM 1316 CA MET A 131 -0.760 -14.406 4.198 1.00 53.10 C ATOM 1317 C MET A 131 0.580 -14.370 4.917 1.00 46.93 C ATOM 1318 O MET A 131 1.345 -13.409 4.774 1.00 54.51 O ATOM 1319 CB MET A 131 -1.868 -13.889 5.115 1.00 45.14 C ATOM 1320 CG MET A 131 -1.593 -12.555 5.776 1.00 45.46 C ATOM 1321 SD MET A 131 -3.016 -12.008 6.741 1.00 55.20 S ATOM 1322 CE MET A 131 -3.096 -13.295 7.988 1.00 54.07 C ATOM 1323 H MET A 131 -1.850 -16.276 4.264 1.00 0.00 H ATOM 1324 N VAL A 132 0.883 -15.415 5.681 1.00 46.97 N ATOM 1325 CA VAL A 132 1.954 -15.371 6.665 1.00 54.08 C ATOM 1326 C VAL A 132 3.198 -16.132 6.222 1.00 58.44 C ATOM 1327 O VAL A 132 4.282 -15.885 6.774 1.00 72.04 O ATOM 1328 CB VAL A 132 1.442 -15.893 8.028 1.00 56.41 C ATOM 1329 CG1 VAL A 132 2.416 -16.862 8.698 1.00 66.01 C ATOM 1330 CG2 VAL A 132 1.122 -14.723 8.948 1.00 49.72 C ATOM 1331 H VAL A 132 0.336 -16.293 5.572 1.00 0.00 H ATOM 1332 N GLY A 133 3.090 -17.022 5.242 1.00 43.84 N ATOM 1333 CA GLY A 133 4.228 -17.795 4.789 1.00 57.81 C ATOM 1334 C GLY A 133 3.965 -19.283 4.852 1.00 63.41 C ATOM 1335 O GLY A 133 4.055 -19.894 5.922 1.00 68.19 O ATOM 1336 H GLY A 133 2.165 -17.167 4.789 1.00 0.00 H ATOM 1337 N GLN A 134 3.628 -19.876 3.710 1.00 59.33 N ATOM 1338 CA GLN A 134 3.391 -21.310 3.655 1.00 59.71 C ATOM 1339 C GLN A 134 4.645 -22.067 4.067 1.00 59.70 C ATOM 1340 O GLN A 134 5.769 -21.574 3.935 1.00 65.30 O ATOM 1341 CB GLN A 134 2.965 -21.724 2.248 1.00 67.81 C ATOM 1342 CG GLN A 134 1.499 -21.464 1.944 1.00 62.06 C ATOM 1343 CD GLN A 134 0.626 -22.667 2.237 1.00 74.83 C ATOM 1344 OE1 GLN A 134 0.973 -23.517 3.058 1.00 71.54 O ATOM 1345 NE2 GLN A 134 -0.512 -22.751 1.555 1.00 88.45 N ATOM 1346 HE22 GLN A 134 -0.764 -22.009 0.871 1.00 0.00 H ATOM 1347 HE21 GLN A 134 -1.150 -23.559 1.705 1.00 0.00 H ATOM 1348 H GLN A 134 3.533 -19.307 2.845 1.00 0.00 H ATOM 1349 N GLN A 135 4.445 -23.280 4.573 1.00 67.05 N ATOM 1350 CA GLN A 135 5.556 -24.078 5.055 1.00 82.52 C ATOM 1351 C GLN A 135 5.427 -25.510 4.548 1.00 75.81 C ATOM 1352 O GLN A 135 4.326 -26.073 4.555 1.00 54.33 O ATOM 1353 CB GLN A 135 5.610 -24.056 6.587 1.00 63.03 C ATOM 1354 CG GLN A 135 5.999 -22.694 7.131 1.00 71.42 C ATOM 1355 CD GLN A 135 5.996 -22.631 8.641 1.00 78.86 C ATOM 1356 OE1 GLN A 135 5.192 -23.289 9.302 1.00 85.91 O ATOM 1357 NE2 GLN A 135 6.901 -21.832 9.199 1.00 86.41 N ATOM 1358 HE22 GLN A 135 7.560 -21.295 8.600 1.00 0.00 H ATOM 1359 HE21 GLN A 135 6.949 -21.744 10.234 1.00 0.00 H ATOM 1360 H GLN A 135 3.479 -23.662 4.624 1.00 0.00 H ATOM 1361 N PRO A 136 6.522 -26.113 4.091 1.00 74.04 N ATOM 1362 CA PRO A 136 6.436 -27.479 3.567 1.00 77.12 C ATOM 1363 C PRO A 136 6.310 -28.503 4.682 1.00 76.70 C ATOM 1364 O PRO A 136 6.835 -28.330 5.784 1.00 73.92 O ATOM 1365 CB PRO A 136 7.751 -27.647 2.802 1.00 71.32 C ATOM 1366 CG PRO A 136 8.702 -26.734 3.494 1.00 75.01 C ATOM 1367 CD PRO A 136 7.885 -25.562 3.965 1.00 69.06 C ATOM 1368 N GLN A 137 5.594 -29.583 4.378 1.00 73.14 N ATOM 1369 CA GLN A 137 5.392 -30.681 5.314 1.00 82.39 C ATOM 1370 C GLN A 137 5.794 -31.977 4.629 1.00 71.44 C ATOM 1371 O GLN A 137 5.225 -32.335 3.592 1.00 84.67 O ATOM 1372 CB GLN A 137 3.936 -30.747 5.789 1.00 86.80 C ATOM 1373 CG GLN A 137 3.531 -29.604 6.715 1.00 74.38 C ATOM 1374 CD GLN A 137 3.222 -28.320 5.969 1.00 83.09 C ATOM 1375 OE1 GLN A 137 3.007 -28.328 4.757 1.00 98.63 O ATOM 1376 NE2 GLN A 137 3.199 -27.207 6.694 1.00 71.81 N ATOM 1377 HE22 GLN A 137 3.387 -27.248 7.716 1.00 0.00 H ATOM 1378 HE21 GLN A 137 2.993 -26.295 6.239 1.00 0.00 H ATOM 1379 H GLN A 137 5.161 -29.646 3.434 1.00 0.00 H ATOM 1380 N THR A 138 6.776 -32.672 5.202 1.00 68.24 N ATOM 1381 CA THR A 138 7.250 -33.941 4.667 1.00 78.75 C ATOM 1382 C THR A 138 6.621 -35.143 5.360 1.00 74.03 C ATOM 1383 O THR A 138 7.004 -36.280 5.065 1.00 84.11 O ATOM 1384 CB THR A 138 8.780 -34.029 4.774 1.00 70.69 C ATOM 1385 OG1 THR A 138 9.165 -34.249 6.138 1.00 49.85 O ATOM 1386 CG2 THR A 138 9.435 -32.750 4.260 1.00 44.94 C ATOM 1387 HG1 THR A 138 8.766 -35.096 6.460 1.00 0.00 H ATOM 1388 H THR A 138 7.220 -32.294 6.063 1.00 0.00 H ATOM 1389 N GLU A 139 5.676 -34.922 6.272 1.00 74.90 N ATOM 1390 CA GLU A 139 4.930 -35.993 6.926 1.00 77.88 C ATOM 1391 C GLU A 139 3.457 -35.820 6.583 1.00 87.31 C ATOM 1392 O GLU A 139 2.817 -34.864 7.036 1.00 84.46 O ATOM 1393 CB GLU A 139 5.149 -35.975 8.439 1.00 64.83 C ATOM 1394 CG GLU A 139 6.453 -36.617 8.889 1.00 84.04 C ATOM 1395 CD GLU A 139 6.455 -38.125 8.707 1.00 87.58 C ATOM 1396 OE1 GLU A 139 5.361 -38.728 8.720 1.00 84.92 O ATOM 1397 OE2 GLU A 139 7.549 -38.708 8.548 1.00 62.48 O ATOM 1398 H GLU A 139 5.459 -33.938 6.531 1.00 0.00 H ATOM 1399 N ASP A 140 2.921 -36.742 5.780 1.00 87.84 N ATOM 1400 CA ASP A 140 1.513 -36.692 5.405 1.00 92.61 C ATOM 1401 C ASP A 140 0.580 -36.865 6.596 1.00 82.01 C ATOM 1402 O ASP A 140 -0.628 -36.653 6.446 1.00 77.60 O ATOM 1403 CB ASP A 140 1.213 -37.767 4.355 1.00 82.64 C ATOM 1404 CG ASP A 140 1.416 -37.273 2.933 1.00 87.12 C ATOM 1405 OD1 ASP A 140 1.735 -36.079 2.747 1.00 88.64 O ATOM 1406 OD2 ASP A 140 1.252 -38.084 1.996 1.00 96.31 O ATOM 1407 H ASP A 140 3.519 -37.511 5.415 1.00 0.00 H ATOM 1408 N GLU A 141 1.102 -37.240 7.763 1.00 83.69 N ATOM 1409 CA GLU A 141 0.295 -37.407 8.963 1.00 74.86 C ATOM 1410 C GLU A 141 0.416 -36.232 9.925 1.00 78.87 C ATOM 1411 O GLU A 141 -0.155 -36.284 11.020 1.00 76.54 O ATOM 1412 CB GLU A 141 0.687 -38.702 9.684 1.00 83.49 C ATOM 1413 CG GLU A 141 0.997 -39.867 8.753 1.00 95.06 C ATOM 1414 CD GLU A 141 -0.034 -40.034 7.654 1.00 97.09 C ATOM 1415 OE1 GLU A 141 -1.241 -39.899 7.945 1.00101.45 O ATOM 1416 OE2 GLU A 141 0.364 -40.293 6.498 1.00 87.25 O ATOM 1417 H GLU A 141 2.125 -37.420 7.819 1.00 0.00 H ATOM 1418 N ASN A 142 1.141 -35.175 9.545 1.00 77.37 N ATOM 1419 CA ASN A 142 1.366 -34.020 10.409 1.00 60.30 C ATOM 1420 C ASN A 142 1.127 -32.716 9.650 1.00 71.29 C ATOM 1421 O ASN A 142 1.759 -31.695 9.937 1.00 65.39 O ATOM 1422 CB ASN A 142 2.778 -34.058 10.999 1.00 85.01 C ATOM 1423 CG ASN A 142 2.883 -33.320 12.319 1.00 81.71 C ATOM 1424 OD1 ASN A 142 2.953 -32.092 12.351 1.00 83.81 O ATOM 1425 ND2 ASN A 142 2.902 -34.069 13.418 1.00 98.48 N ATOM 1426 HD22 ASN A 142 2.840 -35.104 13.343 1.00 0.00 H ATOM 1427 HD21 ASN A 142 2.979 -33.619 14.353 1.00 0.00 H ATOM 1428 H ASN A 142 1.562 -35.176 8.594 1.00 0.00 H ATOM 1429 N THR A 143 0.222 -32.744 8.672 1.00 61.38 N ATOM 1430 CA THR A 143 -0.155 -31.565 7.910 1.00 71.41 C ATOM 1431 C THR A 143 -1.045 -30.643 8.747 1.00 65.52 C ATOM 1432 O THR A 143 -1.559 -31.044 9.793 1.00 54.26 O ATOM 1433 CB THR A 143 -0.867 -31.988 6.622 1.00 68.00 C ATOM 1434 OG1 THR A 143 -2.084 -32.677 6.935 1.00 67.73 O ATOM 1435 CG2 THR A 143 0.043 -32.909 5.768 1.00 64.69 C ATOM 1436 HG1 THR A 143 -2.535 -32.945 6.096 1.00 0.00 H ATOM 1437 H THR A 143 -0.235 -33.650 8.444 1.00 0.00 H ATOM 1438 N PRO A 144 -1.204 -29.379 8.332 1.00 70.33 N ATOM 1439 CA PRO A 144 -2.185 -28.512 9.013 1.00 70.71 C ATOM 1440 C PRO A 144 -3.576 -29.107 8.980 1.00 57.98 C ATOM 1441 O PRO A 144 -4.287 -29.096 9.992 1.00 51.72 O ATOM 1442 CB PRO A 144 -2.109 -27.195 8.222 1.00 61.47 C ATOM 1443 CG PRO A 144 -0.772 -27.230 7.520 1.00 79.81 C ATOM 1444 CD PRO A 144 -0.520 -28.689 7.228 1.00 68.47 C ATOM 1445 N GLN A 145 -3.963 -29.653 7.820 1.00 62.37 N ATOM 1446 CA GLN A 145 -5.269 -30.274 7.643 1.00 54.17 C ATOM 1447 C GLN A 145 -5.497 -31.378 8.664 1.00 57.16 C ATOM 1448 O GLN A 145 -6.600 -31.517 9.196 1.00 50.67 O ATOM 1449 CB GLN A 145 -5.380 -30.817 6.211 1.00 71.18 C ATOM 1450 CG GLN A 145 -6.776 -31.237 5.799 1.00 68.95 C ATOM 1451 CD GLN A 145 -6.968 -31.210 4.284 1.00 69.65 C ATOM 1452 OE1 GLN A 145 -6.664 -30.210 3.635 1.00 74.52 O ATOM 1453 NE2 GLN A 145 -7.475 -32.294 3.720 1.00 80.50 N ATOM 1454 HE22 GLN A 145 -7.719 -33.119 4.305 1.00 0.00 H ATOM 1455 HE21 GLN A 145 -7.630 -32.321 2.692 1.00 0.00 H ATOM 1456 H GLN A 145 -3.306 -29.633 7.014 1.00 0.00 H ATOM 1457 N LYS A 146 -4.454 -32.155 8.976 1.00 57.34 N ATOM 1458 CA LYS A 146 -4.602 -33.255 9.923 1.00 44.36 C ATOM 1459 C LYS A 146 -4.615 -32.742 11.356 1.00 47.35 C ATOM 1460 O LYS A 146 -5.423 -33.196 12.170 1.00 46.91 O ATOM 1461 CB LYS A 146 -3.476 -34.277 9.736 1.00 64.72 C ATOM 1462 CG LYS A 146 -3.549 -35.065 8.435 1.00 58.69 C ATOM 1463 CD LYS A 146 -4.489 -36.274 8.532 1.00 56.31 C ATOM 1464 CE LYS A 146 -3.793 -37.559 8.103 1.00 70.39 C ATOM 1465 NZ LYS A 146 -4.453 -38.791 8.610 1.00 76.00 N ATOM 1466 HZ1 LYS A 146 -4.463 -38.775 9.650 1.00 0.00 H ATOM 1467 HZ2 LYS A 146 -5.429 -38.832 8.253 1.00 0.00 H ATOM 1468 HZ3 LYS A 146 -3.927 -39.625 8.280 1.00 0.00 H ATOM 1469 H LYS A 146 -3.528 -31.973 8.539 1.00 0.00 H ATOM 1470 N ARG A 147 -3.726 -31.799 11.688 1.00 49.57 N ATOM 1471 CA ARG A 147 -3.744 -31.218 13.027 1.00 51.12 C ATOM 1472 C ARG A 147 -5.061 -30.499 13.280 1.00 47.14 C ATOM 1473 O ARG A 147 -5.609 -30.558 14.386 1.00 48.76 O ATOM 1474 CB ARG A 147 -2.559 -30.263 13.215 1.00 60.63 C ATOM 1475 CG ARG A 147 -1.193 -30.933 13.211 1.00 61.00 C ATOM 1476 CD ARG A 147 -0.089 -30.007 13.719 1.00 71.54 C ATOM 1477 NE ARG A 147 0.025 -28.784 12.927 1.00 77.06 N ATOM 1478 CZ ARG A 147 0.747 -28.666 11.814 1.00 75.25 C ATOM 1479 NH1 ARG A 147 1.430 -29.700 11.339 1.00 70.09 N ATOM 1480 NH2 ARG A 147 0.782 -27.507 11.171 1.00 80.58 N ATOM 1481 HE ARG A 147 -0.495 -27.946 13.256 1.00 0.00 H ATOM 1482 HH12 ARG A 147 1.991 -29.597 10.469 1.00 0.00 H ATOM 1483 HH11 ARG A 147 1.405 -30.613 11.837 1.00 0.00 H ATOM 1484 HH22 ARG A 147 1.345 -27.411 10.302 1.00 0.00 H ATOM 1485 HH21 ARG A 147 0.247 -26.693 11.536 1.00 0.00 H ATOM 1486 H ARG A 147 -3.022 -31.480 10.992 1.00 0.00 H ATOM 1487 N VAL A 148 -5.581 -29.811 12.262 1.00 49.37 N ATOM 1488 CA VAL A 148 -6.883 -29.160 12.377 1.00 49.50 C ATOM 1489 C VAL A 148 -7.977 -30.196 12.596 1.00 51.76 C ATOM 1490 O VAL A 148 -8.902 -29.986 13.391 1.00 41.87 O ATOM 1491 CB VAL A 148 -7.148 -28.300 11.126 1.00 55.72 C ATOM 1492 CG1 VAL A 148 -8.640 -28.003 10.953 1.00 43.58 C ATOM 1493 CG2 VAL A 148 -6.353 -27.004 11.211 1.00 55.84 C ATOM 1494 H VAL A 148 -5.050 -29.737 11.371 1.00 0.00 H ATOM 1495 N ASP A 149 -7.895 -31.328 11.892 1.00 48.51 N ATOM 1496 CA ASP A 149 -8.864 -32.400 12.100 1.00 42.59 C ATOM 1497 C ASP A 149 -8.942 -32.799 13.565 1.00 39.66 C ATOM 1498 O ASP A 149 -10.036 -33.016 14.101 1.00 40.40 O ATOM 1499 CB ASP A 149 -8.498 -33.616 11.249 1.00 41.88 C ATOM 1500 CG ASP A 149 -9.011 -33.514 9.834 1.00 45.42 C ATOM 1501 OD1 ASP A 149 -10.002 -32.789 9.605 1.00 50.98 O ATOM 1502 OD2 ASP A 149 -8.426 -34.163 8.942 1.00 63.71 O ATOM 1503 H ASP A 149 -7.136 -31.447 11.191 1.00 0.00 H ATOM 1504 N LYS A 150 -7.791 -32.912 14.230 1.00 48.44 N ATOM 1505 CA LYS A 150 -7.780 -33.332 15.627 1.00 48.20 C ATOM 1506 C LYS A 150 -8.435 -32.283 16.514 1.00 43.14 C ATOM 1507 O LYS A 150 -9.245 -32.611 17.389 1.00 40.29 O ATOM 1508 CB LYS A 150 -6.346 -33.600 16.086 1.00 55.03 C ATOM 1509 CG LYS A 150 -5.573 -34.585 15.216 1.00 72.47 C ATOM 1510 CD LYS A 150 -6.286 -35.924 15.051 1.00 86.97 C ATOM 1511 CE LYS A 150 -6.423 -36.665 16.375 1.00107.29 C ATOM 1512 NZ LYS A 150 -7.175 -37.941 16.220 1.00104.32 N ATOM 1513 HZ1 LYS A 150 -8.129 -37.738 15.859 1.00 0.00 H ATOM 1514 HZ2 LYS A 150 -6.673 -38.558 15.550 1.00 0.00 H ATOM 1515 HZ3 LYS A 150 -7.246 -38.414 17.143 1.00 0.00 H ATOM 1516 H LYS A 150 -6.894 -32.699 13.748 1.00 0.00 H ATOM 1517 N ILE A 151 -8.085 -31.012 16.308 1.00 42.30 N ATOM 1518 CA ILE A 151 -8.726 -29.934 17.055 1.00 36.78 C ATOM 1519 C ILE A 151 -10.228 -29.954 16.803 1.00 33.80 C ATOM 1520 O ILE A 151 -11.037 -29.881 17.737 1.00 37.68 O ATOM 1521 CB ILE A 151 -8.098 -28.578 16.677 1.00 43.70 C ATOM 1522 CG1 ILE A 151 -6.612 -28.560 17.060 1.00 49.06 C ATOM 1523 CG2 ILE A 151 -8.833 -27.422 17.362 1.00 41.84 C ATOM 1524 CD1 ILE A 151 -5.850 -27.350 16.557 1.00 48.00 C ATOM 1525 H ILE A 151 -7.349 -30.787 15.609 1.00 0.00 H ATOM 1526 N PHE A 152 -10.621 -30.077 15.534 1.00 35.23 N ATOM 1527 CA PHE A 152 -12.037 -30.110 15.185 1.00 31.67 C ATOM 1528 C PHE A 152 -12.747 -31.259 15.892 1.00 45.83 C ATOM 1529 O PHE A 152 -13.790 -31.063 16.526 1.00 33.97 O ATOM 1530 CB PHE A 152 -12.185 -30.228 13.668 1.00 35.25 C ATOM 1531 CG PHE A 152 -13.591 -30.055 13.173 1.00 42.09 C ATOM 1532 CD1 PHE A 152 -14.500 -31.095 13.246 1.00 37.30 C ATOM 1533 CD2 PHE A 152 -13.998 -28.854 12.616 1.00 38.51 C ATOM 1534 CE1 PHE A 152 -15.791 -30.938 12.786 1.00 33.39 C ATOM 1535 CE2 PHE A 152 -15.288 -28.690 12.152 1.00 29.63 C ATOM 1536 CZ PHE A 152 -16.186 -29.733 12.237 1.00 37.82 C ATOM 1537 H PHE A 152 -9.907 -30.151 14.782 1.00 0.00 H ATOM 1538 N ASP A 153 -12.188 -32.470 15.798 1.00 38.02 N ATOM 1539 CA ASP A 153 -12.816 -33.632 16.420 1.00 42.73 C ATOM 1540 C ASP A 153 -13.018 -33.421 17.914 1.00 38.13 C ATOM 1541 O ASP A 153 -14.043 -33.826 18.474 1.00 38.27 O ATOM 1542 CB ASP A 153 -11.970 -34.884 16.180 1.00 37.28 C ATOM 1543 CG ASP A 153 -11.916 -35.282 14.722 1.00 48.88 C ATOM 1544 OD1 ASP A 153 -12.815 -34.873 13.960 1.00 54.52 O ATOM 1545 OD2 ASP A 153 -10.975 -36.010 14.337 1.00 71.28 O ATOM 1546 H ASP A 153 -11.296 -32.585 15.276 1.00 0.00 H ATOM 1547 N GLN A 154 -12.043 -32.805 18.581 1.00 39.24 N ATOM 1548 CA GLN A 154 -12.164 -32.587 20.016 1.00 37.47 C ATOM 1549 C GLN A 154 -13.302 -31.625 20.342 1.00 47.05 C ATOM 1550 O GLN A 154 -13.949 -31.764 21.386 1.00 36.75 O ATOM 1551 CB GLN A 154 -10.837 -32.070 20.573 1.00 42.97 C ATOM 1552 CG GLN A 154 -10.807 -31.895 22.087 1.00 65.82 C ATOM 1553 CD GLN A 154 -11.292 -33.124 22.834 1.00 68.44 C ATOM 1554 OE1 GLN A 154 -12.138 -33.029 23.722 1.00 62.32 O ATOM 1555 NE2 GLN A 154 -10.755 -34.286 22.477 1.00 63.70 N ATOM 1556 HE22 GLN A 154 -10.042 -34.319 21.720 1.00 0.00 H ATOM 1557 HE21 GLN A 154 -11.047 -35.162 22.954 1.00 0.00 H ATOM 1558 H GLN A 154 -11.194 -32.479 18.076 1.00 0.00 H ATOM 1559 N MET A 155 -13.576 -30.659 19.461 1.00 42.61 N ATOM 1560 CA MET A 155 -14.643 -29.696 19.714 1.00 42.48 C ATOM 1561 C MET A 155 -16.016 -30.226 19.313 1.00 28.61 C ATOM 1562 O MET A 155 -17.029 -29.783 19.867 1.00 37.89 O ATOM 1563 CB MET A 155 -14.373 -28.394 18.957 1.00 31.19 C ATOM 1564 CG MET A 155 -13.136 -27.640 19.399 1.00 34.75 C ATOM 1565 SD MET A 155 -13.182 -25.952 18.752 1.00 35.06 S ATOM 1566 CE MET A 155 -11.570 -25.337 19.233 1.00 45.21 C ATOM 1567 H MET A 155 -13.022 -30.592 18.583 1.00 0.00 H ATOM 1568 N ASP A 156 -16.072 -31.158 18.360 1.00 34.22 N ATOM 1569 CA ASP A 156 -17.336 -31.658 17.818 1.00 33.27 C ATOM 1570 C ASP A 156 -17.888 -32.722 18.765 1.00 42.46 C ATOM 1571 O ASP A 156 -17.793 -33.928 18.525 1.00 37.74 O ATOM 1572 CB ASP A 156 -17.125 -32.205 16.412 1.00 36.86 C ATOM 1573 CG ASP A 156 -18.420 -32.640 15.750 1.00 32.32 C ATOM 1574 OD1 ASP A 156 -19.503 -32.325 16.282 1.00 34.04 O ATOM 1575 OD2 ASP A 156 -18.351 -33.297 14.692 1.00 34.66 O ATOM 1576 H ASP A 156 -15.181 -31.545 17.987 1.00 0.00 H ATOM 1577 N LYS A 157 -18.505 -32.250 19.854 1.00 36.98 N ATOM 1578 CA LYS A 157 -18.880 -33.135 20.954 1.00 44.12 C ATOM 1579 C LYS A 157 -19.897 -34.192 20.534 1.00 45.68 C ATOM 1580 O LYS A 157 -19.881 -35.307 21.069 1.00 44.36 O ATOM 1581 CB LYS A 157 -19.428 -32.314 22.128 1.00 40.53 C ATOM 1582 CG LYS A 157 -18.377 -31.493 22.881 1.00 48.43 C ATOM 1583 CD LYS A 157 -17.318 -32.376 23.532 1.00 54.65 C ATOM 1584 CE LYS A 157 -16.344 -31.570 24.378 1.00 65.13 C ATOM 1585 NZ LYS A 157 -15.568 -30.585 23.572 1.00 76.17 N ATOM 1586 HZ1 LYS A 157 -15.021 -31.088 22.845 1.00 0.00 H ATOM 1587 HZ2 LYS A 157 -16.224 -29.919 23.116 1.00 0.00 H ATOM 1588 HZ3 LYS A 157 -14.920 -30.063 24.195 1.00 0.00 H ATOM 1589 H LYS A 157 -18.722 -31.235 19.919 1.00 0.00 H ATOM 1590 N ASN A 158 -20.790 -33.875 19.596 1.00 46.39 N ATOM 1591 CA ASN A 158 -21.785 -34.836 19.132 1.00 40.95 C ATOM 1592 C ASN A 158 -21.422 -35.455 17.786 1.00 41.37 C ATOM 1593 O ASN A 158 -22.268 -36.104 17.162 1.00 46.36 O ATOM 1594 CB ASN A 158 -23.165 -34.176 19.066 1.00 47.30 C ATOM 1595 CG ASN A 158 -23.274 -33.140 17.970 1.00 35.04 C ATOM 1596 OD1 ASN A 158 -22.276 -32.726 17.381 1.00 39.82 O ATOM 1597 ND2 ASN A 158 -24.499 -32.710 17.691 1.00 36.13 N ATOM 1598 HD22 ASN A 158 -25.314 -33.088 18.214 1.00 0.00 H ATOM 1599 HD21 ASN A 158 -24.643 -31.996 16.949 1.00 0.00 H ATOM 1600 H ASN A 158 -20.777 -32.920 19.185 1.00 0.00 H ATOM 1601 N HIS A 159 -20.187 -35.260 17.327 1.00 38.72 N ATOM 1602 CA HIS A 159 -19.632 -35.974 16.175 1.00 38.27 C ATOM 1603 C HIS A 159 -20.581 -35.975 14.978 1.00 50.42 C ATOM 1604 O HIS A 159 -20.789 -36.998 14.323 1.00 47.46 O ATOM 1605 CB HIS A 159 -19.262 -37.409 16.556 1.00 47.25 C ATOM 1606 CG HIS A 159 -18.633 -37.538 17.908 1.00 36.46 C ATOM 1607 ND1 HIS A 159 -17.288 -37.334 18.126 1.00 53.13 N ATOM 1608 CD2 HIS A 159 -19.164 -37.859 19.112 1.00 39.77 C ATOM 1609 CE1 HIS A 159 -17.018 -37.517 19.406 1.00 37.99 C ATOM 1610 NE2 HIS A 159 -18.139 -37.837 20.027 1.00 44.90 N ATOM 1611 H HIS A 159 -19.585 -34.564 17.812 1.00 0.00 H ATOM 1612 N ASP A 160 -21.154 -34.811 14.676 1.00 37.00 N ATOM 1613 CA ASP A 160 -21.937 -34.645 13.460 1.00 29.69 C ATOM 1614 C ASP A 160 -21.159 -33.926 12.363 1.00 35.17 C ATOM 1615 O ASP A 160 -21.752 -33.524 11.356 1.00 43.92 O ATOM 1616 CB ASP A 160 -23.243 -33.908 13.760 1.00 40.79 C ATOM 1617 CG ASP A 160 -23.023 -32.486 14.239 1.00 47.75 C ATOM 1618 OD1 ASP A 160 -21.856 -32.073 14.410 1.00 39.69 O ATOM 1619 OD2 ASP A 160 -24.030 -31.779 14.448 1.00 44.55 O ATOM 1620 H ASP A 160 -21.040 -34.004 15.322 1.00 0.00 H ATOM 1621 N ASP A 161 -19.845 -33.764 12.535 1.00 37.76 N ATOM 1622 CA ASP A 161 -18.966 -33.166 11.527 1.00 32.84 C ATOM 1623 C ASP A 161 -19.245 -31.679 11.326 1.00 22.43 C ATOM 1624 O ASP A 161 -19.049 -31.146 10.232 1.00 30.55 O ATOM 1625 CB ASP A 161 -19.057 -33.902 10.185 1.00 36.29 C ATOM 1626 CG ASP A 161 -18.274 -35.203 10.177 1.00 42.74 C ATOM 1627 OD1 ASP A 161 -17.159 -35.231 10.740 1.00 47.26 O ATOM 1628 OD2 ASP A 161 -18.770 -36.193 9.602 1.00 74.95 O ATOM 1629 H ASP A 161 -19.423 -34.079 13.432 1.00 0.00 H ATOM 1630 N ARG A 162 -19.682 -30.994 12.377 1.00 30.51 N ATOM 1631 CA ARG A 162 -19.874 -29.554 12.301 1.00 38.13 C ATOM 1632 C ARG A 162 -19.963 -28.992 13.711 1.00 31.57 C ATOM 1633 O ARG A 162 -20.390 -29.679 14.643 1.00 28.05 O ATOM 1634 CB ARG A 162 -21.125 -29.204 11.491 1.00 44.50 C ATOM 1635 CG ARG A 162 -22.376 -29.895 11.981 1.00 44.51 C ATOM 1636 CD ARG A 162 -23.521 -29.772 10.989 1.00 35.22 C ATOM 1637 NE ARG A 162 -24.768 -30.212 11.603 1.00 35.68 N ATOM 1638 CZ ARG A 162 -25.981 -29.939 11.135 1.00 31.51 C ATOM 1639 NH1 ARG A 162 -26.132 -29.215 10.032 1.00 40.05 N ATOM 1640 NH2 ARG A 162 -27.045 -30.391 11.782 1.00 38.78 N ATOM 1641 HE ARG A 162 -24.703 -30.781 12.471 1.00 0.00 H ATOM 1642 HH12 ARG A 162 -27.086 -29.006 9.673 1.00 0.00 H ATOM 1643 HH11 ARG A 162 -25.297 -28.857 9.527 1.00 0.00 H ATOM 1644 HH22 ARG A 162 -27.999 -30.183 11.424 1.00 0.00 H ATOM 1645 HH21 ARG A 162 -26.926 -30.954 12.648 1.00 0.00 H ATOM 1646 H ARG A 162 -19.889 -31.493 13.265 1.00 0.00 H ATOM 1647 N LEU A 163 -19.549 -27.736 13.855 1.00 28.50 N ATOM 1648 CA LEU A 163 -19.473 -27.076 15.150 1.00 25.24 C ATOM 1649 C LEU A 163 -20.570 -26.028 15.254 1.00 24.40 C ATOM 1650 O LEU A 163 -20.686 -25.162 14.383 1.00 26.25 O ATOM 1651 CB LEU A 163 -18.110 -26.409 15.353 1.00 25.70 C ATOM 1652 CG LEU A 163 -16.863 -27.279 15.201 1.00 34.29 C ATOM 1653 CD1 LEU A 163 -15.631 -26.473 15.593 1.00 31.81 C ATOM 1654 CD2 LEU A 163 -16.964 -28.557 16.026 1.00 30.02 C ATOM 1655 H LEU A 163 -19.268 -27.204 13.007 1.00 0.00 H ATOM 1656 N THR A 164 -21.373 -26.114 16.310 1.00 28.70 N ATOM 1657 CA THR A 164 -22.237 -25.004 16.672 1.00 28.26 C ATOM 1658 C THR A 164 -21.399 -23.897 17.305 1.00 26.05 C ATOM 1659 O THR A 164 -20.224 -24.083 17.632 1.00 23.54 O ATOM 1660 CB THR A 164 -23.323 -25.450 17.650 1.00 27.66 C ATOM 1661 OG1 THR A 164 -22.716 -25.903 18.865 1.00 29.97 O ATOM 1662 CG2 THR A 164 -24.166 -26.564 17.052 1.00 27.49 C ATOM 1663 HG1 THR A 164 -23.421 -26.191 19.497 1.00 0.00 H ATOM 1664 H THR A 164 -21.383 -26.983 16.881 1.00 0.00 H ATOM 1665 N LEU A 165 -22.018 -22.729 17.482 1.00 28.98 N ATOM 1666 CA LEU A 165 -21.354 -21.654 18.212 1.00 27.82 C ATOM 1667 C LEU A 165 -20.967 -22.106 19.616 1.00 25.92 C ATOM 1668 O LEU A 165 -19.875 -21.783 20.099 1.00 28.31 O ATOM 1669 CB LEU A 165 -22.262 -20.423 18.265 1.00 27.90 C ATOM 1670 CG LEU A 165 -21.824 -19.241 19.136 1.00 29.22 C ATOM 1671 CD1 LEU A 165 -20.458 -18.710 18.725 1.00 27.70 C ATOM 1672 CD2 LEU A 165 -22.865 -18.133 19.072 1.00 26.45 C ATOM 1673 H LEU A 165 -22.974 -22.584 17.100 1.00 0.00 H ATOM 1674 N GLU A 166 -21.846 -22.861 20.285 1.00 29.85 N ATOM 1675 CA GLU A 166 -21.543 -23.332 21.634 1.00 31.04 C ATOM 1676 C GLU A 166 -20.380 -24.317 21.631 1.00 33.75 C ATOM 1677 O GLU A 166 -19.486 -24.231 22.482 1.00 35.05 O ATOM 1678 CB GLU A 166 -22.778 -23.976 22.263 1.00 34.76 C ATOM 1679 CG GLU A 166 -22.457 -24.874 23.453 1.00 47.65 C ATOM 1680 CD GLU A 166 -23.696 -25.372 24.169 1.00 84.74 C ATOM 1681 OE1 GLU A 166 -24.786 -25.354 23.558 1.00 86.45 O ATOM 1682 OE2 GLU A 166 -23.581 -25.783 25.344 1.00 73.46 O ATOM 1683 H GLU A 166 -22.752 -23.114 19.841 1.00 0.00 H ATOM 1684 N GLU A 167 -20.384 -25.277 20.702 1.00 29.98 N ATOM 1685 CA GLU A 167 -19.255 -26.198 20.596 1.00 28.39 C ATOM 1686 C GLU A 167 -17.956 -25.440 20.357 1.00 32.19 C ATOM 1687 O GLU A 167 -16.926 -25.742 20.971 1.00 30.72 O ATOM 1688 CB GLU A 167 -19.488 -27.202 19.467 1.00 29.08 C ATOM 1689 CG GLU A 167 -20.533 -28.273 19.765 1.00 36.97 C ATOM 1690 CD GLU A 167 -20.774 -29.203 18.588 1.00 33.17 C ATOM 1691 OE1 GLU A 167 -20.856 -28.711 17.443 1.00 26.51 O ATOM 1692 OE2 GLU A 167 -20.879 -30.431 18.799 1.00 33.12 O ATOM 1693 H GLU A 167 -21.192 -25.369 20.053 1.00 0.00 H ATOM 1694 N PHE A 168 -17.988 -24.443 19.474 1.00 26.17 N ATOM 1695 CA PHE A 168 -16.774 -23.709 19.141 1.00 28.06 C ATOM 1696 C PHE A 168 -16.299 -22.857 20.312 1.00 30.32 C ATOM 1697 O PHE A 168 -15.094 -22.763 20.573 1.00 30.13 O ATOM 1698 CB PHE A 168 -17.019 -22.842 17.906 1.00 27.70 C ATOM 1699 CG PHE A 168 -15.836 -22.013 17.503 1.00 34.34 C ATOM 1700 CD1 PHE A 168 -14.722 -22.607 16.933 1.00 28.29 C ATOM 1701 CD2 PHE A 168 -15.839 -20.639 17.686 1.00 28.83 C ATOM 1702 CE1 PHE A 168 -13.629 -21.844 16.557 1.00 32.67 C ATOM 1703 CE2 PHE A 168 -14.753 -19.875 17.312 1.00 28.68 C ATOM 1704 CZ PHE A 168 -13.647 -20.477 16.748 1.00 31.14 C ATOM 1705 H PHE A 168 -18.887 -24.186 19.018 1.00 0.00 H ATOM 1706 N ARG A 169 -17.224 -22.233 21.038 1.00 30.93 N ATOM 1707 CA ARG A 169 -16.820 -21.334 22.112 1.00 40.28 C ATOM 1708 C ARG A 169 -16.297 -22.107 23.317 1.00 39.38 C ATOM 1709 O ARG A 169 -15.260 -21.749 23.885 1.00 47.79 O ATOM 1710 CB ARG A 169 -17.993 -20.433 22.506 1.00 43.37 C ATOM 1711 CG ARG A 169 -17.603 -19.264 23.403 1.00 52.63 C ATOM 1712 CD ARG A 169 -18.366 -17.996 23.041 1.00 50.51 C ATOM 1713 NE ARG A 169 -19.811 -18.192 23.095 1.00 42.48 N ATOM 1714 CZ ARG A 169 -20.710 -17.277 22.749 1.00 39.80 C ATOM 1715 NH1 ARG A 169 -22.002 -17.558 22.835 1.00 34.36 N ATOM 1716 NH2 ARG A 169 -20.323 -16.083 22.315 1.00 32.02 N ATOM 1717 HE ARG A 169 -20.162 -19.113 23.428 1.00 0.00 H ATOM 1718 HH12 ARG A 169 -22.709 -16.844 22.565 1.00 0.00 H ATOM 1719 HH11 ARG A 169 -22.310 -18.492 23.172 1.00 0.00 H ATOM 1720 HH22 ARG A 169 -21.033 -15.372 22.046 1.00 0.00 H ATOM 1721 HH21 ARG A 169 -19.310 -15.859 22.244 1.00 0.00 H ATOM 1722 H ARG A 169 -18.233 -22.387 20.839 1.00 0.00 H ATOM 1723 N GLU A 170 -16.997 -23.169 23.722 1.00 39.03 N ATOM 1724 CA GLU A 170 -16.503 -23.986 24.823 1.00 44.00 C ATOM 1725 C GLU A 170 -15.321 -24.841 24.384 1.00 47.22 C ATOM 1726 O GLU A 170 -14.454 -25.168 25.202 1.00 43.15 O ATOM 1727 CB GLU A 170 -17.630 -24.856 25.378 1.00 53.90 C ATOM 1728 CG GLU A 170 -18.784 -24.048 25.958 1.00 70.37 C ATOM 1729 CD GLU A 170 -18.351 -23.143 27.097 1.00 77.60 C ATOM 1730 OE1 GLU A 170 -17.418 -23.520 27.838 1.00 73.72 O ATOM 1731 OE2 GLU A 170 -18.937 -22.049 27.246 1.00 78.57 O ATOM 1732 H GLU A 170 -17.893 -23.413 23.253 1.00 0.00 H ATOM 1733 N GLY A 171 -15.265 -25.202 23.102 1.00 33.93 N ATOM 1734 CA GLY A 171 -14.081 -25.862 22.579 1.00 31.99 C ATOM 1735 C GLY A 171 -12.866 -24.955 22.571 1.00 40.11 C ATOM 1736 O GLY A 171 -11.742 -25.407 22.807 1.00 38.79 O ATOM 1737 H GLY A 171 -16.072 -25.011 22.474 1.00 0.00 H ATOM 1738 N SER A 172 -13.072 -23.662 22.308 1.00 30.44 N ATOM 1739 CA SER A 172 -11.967 -22.714 22.234 1.00 35.71 C ATOM 1740 C SER A 172 -11.467 -22.271 23.603 1.00 39.05 C ATOM 1741 O SER A 172 -10.326 -21.808 23.710 1.00 41.35 O ATOM 1742 CB SER A 172 -12.384 -21.482 21.428 1.00 32.81 C ATOM 1743 OG SER A 172 -12.684 -21.828 20.090 1.00 35.54 O ATOM 1744 HG SER A 172 -13.427 -22.482 20.078 1.00 0.00 H ATOM 1745 H SER A 172 -14.043 -23.324 22.152 1.00 0.00 H ATOM 1746 N LYS A 173 -12.288 -22.383 24.646 1.00 36.89 N ATOM 1747 CA LYS A 173 -11.837 -22.015 25.981 1.00 49.69 C ATOM 1748 C LYS A 173 -10.966 -23.094 26.608 1.00 46.24 C ATOM 1749 O LYS A 173 -10.263 -22.814 27.586 1.00 63.39 O ATOM 1750 CB LYS A 173 -13.041 -21.708 26.872 1.00 46.31 C ATOM 1751 CG LYS A 173 -13.700 -20.380 26.518 1.00 60.69 C ATOM 1752 CD LYS A 173 -15.003 -20.149 27.263 1.00 63.77 C ATOM 1753 CE LYS A 173 -15.622 -18.814 26.864 1.00 48.59 C ATOM 1754 NZ LYS A 173 -16.945 -18.580 27.509 1.00 69.66 N ATOM 1755 HZ1 LYS A 173 -17.604 -19.334 27.229 1.00 0.00 H ATOM 1756 HZ2 LYS A 173 -16.831 -18.583 28.543 1.00 0.00 H ATOM 1757 HZ3 LYS A 173 -17.320 -17.659 27.204 1.00 0.00 H ATOM 1758 H LYS A 173 -13.257 -22.735 24.506 1.00 0.00 H ATOM 1759 N ALA A 174 -10.989 -24.309 26.062 1.00 49.42 N ATOM 1760 CA ALA A 174 -10.066 -25.362 26.458 1.00 51.60 C ATOM 1761 C ALA A 174 -8.907 -25.525 25.487 1.00 63.15 C ATOM 1762 O ALA A 174 -7.848 -26.021 25.885 1.00 62.77 O ATOM 1763 CB ALA A 174 -10.808 -26.697 26.580 1.00 52.99 C ATOM 1764 H ALA A 174 -11.694 -24.513 25.325 1.00 0.00 H ATOM 1765 N ASP A 175 -9.087 -25.123 24.229 1.00 53.99 N ATOM 1766 CA ASP A 175 -8.020 -25.147 23.233 1.00 44.24 C ATOM 1767 C ASP A 175 -8.147 -23.869 22.407 1.00 41.95 C ATOM 1768 O ASP A 175 -8.864 -23.834 21.406 1.00 41.90 O ATOM 1769 CB ASP A 175 -8.107 -26.389 22.345 1.00 47.41 C ATOM 1770 CG ASP A 175 -6.961 -26.479 21.356 1.00 57.69 C ATOM 1771 OD1 ASP A 175 -6.113 -25.559 21.342 1.00 53.67 O ATOM 1772 OD2 ASP A 175 -6.904 -27.468 20.596 1.00 49.49 O ATOM 1773 H ASP A 175 -10.026 -24.778 23.945 1.00 0.00 H ATOM 1774 N PRO A 176 -7.462 -22.799 22.818 1.00 51.42 N ATOM 1775 CA PRO A 176 -7.673 -21.504 22.148 1.00 51.01 C ATOM 1776 C PRO A 176 -6.890 -21.323 20.857 1.00 44.11 C ATOM 1777 O PRO A 176 -6.750 -20.193 20.378 1.00 41.26 O ATOM 1778 CB PRO A 176 -7.215 -20.498 23.211 1.00 49.68 C ATOM 1779 CG PRO A 176 -6.184 -21.238 23.998 1.00 43.84 C ATOM 1780 CD PRO A 176 -6.650 -22.662 24.038 1.00 51.34 C ATOM 1781 N ARG A 177 -6.393 -22.411 20.268 1.00 35.42 N ATOM 1782 CA ARG A 177 -5.459 -22.268 19.153 1.00 37.28 C ATOM 1783 C ARG A 177 -6.131 -21.738 17.888 1.00 43.57 C ATOM 1784 O ARG A 177 -5.478 -21.055 17.091 1.00 46.33 O ATOM 1785 CB ARG A 177 -4.766 -23.601 18.867 1.00 38.42 C ATOM 1786 CG ARG A 177 -3.469 -23.785 19.649 1.00 47.75 C ATOM 1787 CD ARG A 177 -2.776 -25.085 19.290 1.00 55.85 C ATOM 1788 NE ARG A 177 -3.581 -26.242 19.663 1.00 49.12 N ATOM 1789 CZ ARG A 177 -3.303 -27.495 19.317 1.00 51.52 C ATOM 1790 NH1 ARG A 177 -2.234 -27.767 18.581 1.00 54.14 N ATOM 1791 NH2 ARG A 177 -4.102 -28.479 19.705 1.00 47.00 N ATOM 1792 HE ARG A 177 -4.431 -26.076 20.239 1.00 0.00 H ATOM 1793 HH12 ARG A 177 -2.023 -28.750 18.314 1.00 0.00 H ATOM 1794 HH11 ARG A 177 -1.607 -26.998 18.271 1.00 0.00 H ATOM 1795 HH22 ARG A 177 -3.887 -29.460 19.436 1.00 0.00 H ATOM 1796 HH21 ARG A 177 -4.944 -28.270 20.279 1.00 0.00 H ATOM 1797 H ARG A 177 -6.669 -23.357 20.600 1.00 0.00 H ATOM 1798 N MET A 178 -7.415 -22.030 17.674 1.00 36.51 N ATOM 1799 CA MET A 178 -8.077 -21.556 16.462 1.00 36.51 C ATOM 1800 C MET A 178 -8.445 -20.079 16.536 1.00 38.54 C ATOM 1801 O MET A 178 -8.723 -19.472 15.495 1.00 44.90 O ATOM 1802 CB MET A 178 -9.341 -22.375 16.177 1.00 35.91 C ATOM 1803 CG MET A 178 -9.109 -23.867 16.043 1.00 37.78 C ATOM 1804 SD MET A 178 -7.713 -24.287 14.983 1.00 41.07 S ATOM 1805 CE MET A 178 -8.301 -23.755 13.377 1.00 38.88 C ATOM 1806 H MET A 178 -7.944 -22.594 18.369 1.00 0.00 H ATOM 1807 N VAL A 179 -8.477 -19.498 17.734 1.00 42.03 N ATOM 1808 CA VAL A 179 -8.744 -18.078 17.892 1.00 44.07 C ATOM 1809 C VAL A 179 -7.476 -17.266 18.153 1.00 57.18 C ATOM 1810 O VAL A 179 -7.434 -16.078 17.805 1.00 53.01 O ATOM 1811 CB VAL A 179 -9.777 -17.859 19.015 1.00 42.20 C ATOM 1812 CG1 VAL A 179 -11.040 -18.644 18.700 1.00 50.33 C ATOM 1813 CG2 VAL A 179 -9.201 -18.269 20.368 1.00 56.72 C ATOM 1814 H VAL A 179 -8.306 -20.077 18.581 1.00 0.00 H ATOM 1815 N GLN A 180 -6.458 -17.854 18.782 1.00 56.05 N ATOM 1816 CA GLN A 180 -5.150 -17.211 18.852 1.00 48.54 C ATOM 1817 C GLN A 180 -4.539 -17.049 17.468 1.00 48.28 C ATOM 1818 O GLN A 180 -3.774 -16.105 17.234 1.00 61.99 O ATOM 1819 CB GLN A 180 -4.230 -18.026 19.756 1.00 48.99 C ATOM 1820 CG GLN A 180 -4.654 -18.011 21.217 1.00 46.42 C ATOM 1821 CD GLN A 180 -3.923 -19.045 22.043 1.00 51.38 C ATOM 1822 OE1 GLN A 180 -3.576 -20.122 21.551 1.00 59.92 O ATOM 1823 NE2 GLN A 180 -3.677 -18.722 23.304 1.00 59.19 N ATOM 1824 HE22 GLN A 180 -3.989 -17.802 23.675 1.00 0.00 H ATOM 1825 HE21 GLN A 180 -3.172 -19.388 23.923 1.00 0.00 H ATOM 1826 H GLN A 180 -6.598 -18.783 19.228 1.00 0.00 H ATOM 1827 N ALA A 181 -4.870 -17.949 16.537 1.00 49.77 N ATOM 1828 CA ALA A 181 -4.430 -17.793 15.156 1.00 48.90 C ATOM 1829 C ALA A 181 -4.995 -16.530 14.523 1.00 53.12 C ATOM 1830 O ALA A 181 -4.494 -16.092 13.481 1.00 53.42 O ATOM 1831 CB ALA A 181 -4.832 -19.019 14.333 1.00 53.50 C ATOM 1832 H ALA A 181 -5.449 -18.771 16.801 1.00 0.00 H ATOM 1833 N LEU A 182 -6.027 -15.942 15.128 1.00 63.70 N ATOM 1834 CA LEU A 182 -6.572 -14.657 14.710 1.00 69.43 C ATOM 1835 C LEU A 182 -6.279 -13.555 15.722 1.00 59.94 C ATOM 1836 O LEU A 182 -6.842 -12.460 15.614 1.00 69.24 O ATOM 1837 CB LEU A 182 -8.083 -14.770 14.498 1.00 56.05 C ATOM 1838 CG LEU A 182 -8.603 -16.081 13.899 1.00 45.97 C ATOM 1839 CD1 LEU A 182 -10.113 -16.162 14.040 1.00 45.39 C ATOM 1840 CD2 LEU A 182 -8.195 -16.204 12.444 1.00 54.12 C ATOM 1841 H LEU A 182 -6.465 -16.424 15.939 1.00 0.00 H ATOM 1842 N SER A 183 -5.411 -13.818 16.698 1.00 74.73 N ATOM 1843 CA SER A 183 -5.132 -12.884 17.788 1.00 73.36 C ATOM 1844 C SER A 183 -6.427 -12.412 18.444 1.00 70.78 C ATOM 1845 O SER A 183 -6.713 -11.215 18.538 1.00 69.44 O ATOM 1846 CB SER A 183 -4.300 -11.702 17.290 1.00 78.26 C ATOM 1847 OG SER A 183 -3.041 -12.149 16.818 1.00 81.59 O ATOM 1848 HG SER A 183 -2.515 -11.373 16.500 1.00 0.00 H ATOM 1849 H SER A 183 -4.909 -14.729 16.684 1.00 0.00 H ATOM 1850 N LEU A 184 -7.221 -13.385 18.906 1.00 66.82 N ATOM 1851 CA LEU A 184 -8.481 -13.111 19.586 1.00 58.35 C ATOM 1852 C LEU A 184 -8.681 -14.030 20.787 1.00 69.92 C ATOM 1853 O LEU A 184 -9.816 -14.397 21.109 1.00 64.51 O ATOM 1854 CB LEU A 184 -9.665 -13.256 18.626 1.00 56.81 C ATOM 1855 CG LEU A 184 -9.764 -12.244 17.482 1.00 60.80 C ATOM 1856 CD1 LEU A 184 -10.945 -12.586 16.587 1.00 52.53 C ATOM 1857 CD2 LEU A 184 -9.892 -10.826 18.018 1.00 61.62 C ATOM 1858 H LEU A 184 -6.928 -14.374 18.775 1.00 0.00 H ATOM 1859 N GLY A 185 -7.598 -14.407 21.460 1.00 57.43 N ATOM 1860 CA GLY A 185 -7.688 -15.284 22.612 1.00 63.29 C ATOM 1861 C GLY A 185 -7.577 -14.545 23.932 1.00 62.87 C ATOM 1862 O GLY A 185 -7.318 -13.342 23.963 1.00 77.58 O ATOM 1863 H GLY A 185 -6.665 -14.065 21.153 1.00 0.00 H TER 1864 GLY A 185 HETATM 1865 CA CA A 1 -21.549 -2.432 4.494 1.00 31.08 CA HETATM 1866 CA CA A 2 -21.300 -30.803 16.409 1.00 31.68 CA HETATM 1867 CA CA A 3 -20.924 -22.962 7.703 1.00 26.26 CA HETATM 1868 NA NA A 4 -21.204 -9.624 5.874 1.00 53.13 NA HETATM 1869 O HOH 5 -27.755 12.985 12.626 1.00 51.92 O HETATM 1870 O HOH 6 -21.326 -4.081 12.107 1.00 36.45 O HETATM 1871 O HOH 7 7.889 -27.800 7.693 1.00 57.63 O HETATM 1872 O HOH 8 -23.514 -29.958 15.659 1.00 30.24 O HETATM 1873 O HOH 9 -20.657 -15.813 9.364 1.00 37.61 O HETATM 1874 O HOH 10 4.115 -18.787 1.657 1.00 63.69 O HETATM 1875 O HOH 11 -18.528 8.254 7.362 1.00 37.65 O HETATM 1876 O HOH 12 -16.631 -7.341 -2.849 1.00 60.65 O HETATM 1877 O HOH 13 -4.569 -15.305 -0.843 1.00 37.85 O HETATM 1878 O HOH 14 1.734 -25.726 2.329 1.00 63.59 O HETATM 1879 O HOH 15 -20.602 -9.725 3.692 1.00 51.09 O HETATM 1880 O HOH 16 -23.971 4.948 9.847 1.00 51.26 O HETATM 1881 O HOH 17 -1.589 -20.469 20.040 1.00 52.92 O HETATM 1882 O HOH 18 -13.157 3.762 -1.459 1.00 36.74 O HETATM 1883 O HOH 19 -11.315 4.637 26.035 1.00 47.44 O HETATM 1884 O HOH 20 -16.390 -15.670 7.170 1.00 48.43 O HETATM 1885 O HOH 21 -30.435 5.849 14.734 1.00 26.98 O HETATM 1886 O HOH 22 -2.905 -14.809 19.244 1.00 65.28 O HETATM 1887 O HOH 23 -26.237 -15.128 10.159 1.00 58.22 O HETATM 1888 O HOH 24 -25.228 6.756 23.209 1.00 45.39 O HETATM 1889 O HOH 25 -23.486 -20.342 22.545 1.00 48.40 O HETATM 1890 O HOH 26 -9.168 13.047 7.749 1.00 51.88 O HETATM 1891 O HOH 27 -18.375 -3.573 20.782 1.00 27.94 O HETATM 1892 O HOH 28 -17.103 -31.087 8.522 1.00 41.48 O HETATM 1893 O HOH 29 -17.638 -6.738 28.274 1.00 39.32 O HETATM 1894 O HOH 30 -1.888 -41.209 10.114 1.00 77.36 O HETATM 1895 O HOH 31 -18.989 -12.858 28.986 1.00 45.88 O HETATM 1896 O HOH 32 -18.123 -26.756 4.107 1.00 42.51 O HETATM 1897 O HOH 33 -22.380 -17.412 11.325 1.00 36.23 O HETATM 1898 O HOH 34 -12.273 9.414 25.464 1.00 37.18 O HETATM 1899 O HOH 35 -22.562 -0.367 4.733 1.00 41.59 O HETATM 1900 O HOH 36 -8.328 -9.105 -5.666 1.00 26.88 O HETATM 1901 O HOH 37 -25.177 -24.917 4.858 1.00 48.51 O HETATM 1902 O HOH 38 -19.656 -8.509 2.074 1.00 43.20 O HETATM 1903 O HOH 39 -16.353 15.292 14.639 1.00 47.56 O HETATM 1904 O HOH 40 -22.145 15.461 20.844 1.00 65.05 O HETATM 1905 O HOH 41 -29.870 9.674 17.663 1.00 50.56 O HETATM 1906 O HOH 42 -25.922 -2.160 22.851 1.00 45.81 O HETATM 1907 O HOH 43 -11.027 14.368 16.751 1.00 40.31 O HETATM 1908 O HOH 44 -23.644 16.908 16.401 1.00 49.95 O HETATM 1909 O HOH 45 -18.733 5.942 6.298 1.00 29.49 O HETATM 1910 O HOH 46 -16.024 -3.565 -2.429 1.00 46.05 O HETATM 1911 O HOH 47 -10.688 -10.059 25.827 1.00 52.94 O HETATM 1912 O HOH 48 -4.515 -14.958 2.537 1.00 34.05 O HETATM 1913 O HOH 49 -18.818 -4.589 11.285 1.00 27.06 O HETATM 1914 O HOH 50 -13.959 13.714 13.417 1.00 39.81 O HETATM 1915 O HOH 51 -27.643 -27.849 16.293 1.00 47.09 O HETATM 1916 O HOH 52 -12.478 -3.685 27.085 1.00 39.46 O HETATM 1917 O HOH 53 -5.594 -6.321 12.889 1.00 72.72 O HETATM 1918 O HOH 54 9.189 -22.976 10.164 1.00 52.59 O HETATM 1919 O HOH 55 -21.511 -25.080 6.904 1.00 33.69 O HETATM 1920 O HOH 56 -8.617 5.000 -0.396 1.00 47.87 O HETATM 1921 O HOH 57 -25.444 0.883 26.082 1.00 42.15 O HETATM 1922 O HOH 58 -24.362 -27.149 20.675 1.00 32.28 O HETATM 1923 O HOH 59 -11.378 -15.441 0.639 1.00 30.96 O HETATM 1924 O HOH 60 -24.134 -2.906 8.750 1.00 50.43 O HETATM 1925 O HOH 61 -10.458 -19.115 24.304 1.00 51.55 O HETATM 1926 O HOH 62 -17.102 -28.228 22.176 1.00 31.78 O HETATM 1927 O HOH 63 -22.665 -30.879 20.867 1.00 45.05 O HETATM 1928 O HOH 64 -12.050 13.693 19.094 1.00 38.41 O HETATM 1929 O HOH 65 -14.145 13.652 10.650 1.00 34.85 O HETATM 1930 O HOH 66 -16.187 -35.031 14.572 1.00 41.05 O HETATM 1931 O HOH 67 -9.729 -38.570 17.108 1.00 65.30 O HETATM 1932 O HOH 68 -6.777 0.797 0.478 1.00 39.86 O HETATM 1933 O HOH 69 -20.303 -4.717 22.885 1.00 53.90 O HETATM 1934 O HOH 70 -9.430 -12.682 -2.334 1.00 38.70 O HETATM 1935 O HOH 71 -9.776 -22.108 19.402 1.00 38.20 O HETATM 1936 O HOH 72 -14.113 4.000 26.310 1.00 29.20 O HETATM 1937 O HOH 73 -13.885 -11.001 -4.058 1.00 51.03 O HETATM 1938 O HOH 74 -22.426 9.130 9.824 1.00 35.81 O HETATM 1939 O HOH 75 -28.399 -18.901 7.546 1.00 56.08 O HETATM 1940 O HOH 76 -8.661 -0.221 20.141 1.00 56.80 O HETATM 1941 O HOH 77 -13.466 -11.551 28.771 1.00 32.48 O HETATM 1942 O HOH 78 -1.017 -2.511 -0.954 1.00 41.49 O HETATM 1943 O HOH 79 -19.405 -10.485 18.852 1.00 33.17 O HETATM 1944 O HOH 80 -18.531 -22.553 3.308 1.00 46.18 O HETATM 1945 O HOH 81 -3.834 -31.236 16.504 1.00 45.70 O HETATM 1946 O HOH 82 -11.429 1.566 -1.098 1.00 38.34 O HETATM 1947 O HOH 83 -21.015 14.957 14.242 1.00 51.29 O HETATM 1948 O HOH 84 -8.521 7.325 24.488 1.00 62.08 O HETATM 1949 O HOH 85 -6.182 -35.952 12.040 1.00 49.89 O HETATM 1950 O HOH 86 -19.397 -3.423 18.233 1.00 31.88 O HETATM 1951 O HOH 87 -0.400 -40.079 3.236 1.00 65.95 O HETATM 1952 O HOH 88 -11.489 -28.256 22.498 1.00 41.49 O HETATM 1953 O HOH 89 -29.004 6.934 10.086 1.00 58.11 O HETATM 1954 O HOH 90 -21.731 -12.994 10.022 1.00 52.56 O HETATM 1955 O HOH 91 -30.014 4.778 11.067 1.00 32.53 O HETATM 1956 O HOH 92 -3.751 -4.956 -4.379 1.00 54.66 O HETATM 1957 O HOH 93 -24.668 -27.554 7.962 1.00 39.11 O HETATM 1958 O HOH 94 -24.768 -15.220 14.861 1.00 52.92 O HETATM 1959 O HOH 95 -10.121 12.749 3.212 1.00 45.89 O HETATM 1960 O HOH 96 -19.961 -10.529 16.311 1.00 37.21 O HETATM 1961 O HOH 97 -13.000 -29.428 24.409 1.00 54.30 O HETATM 1962 O HOH 98 -25.561 15.310 12.705 1.00 51.54 O HETATM 1963 O HOH 99 -16.019 11.673 24.671 1.00 31.10 O HETATM 1964 O HOH 100 -8.415 -4.950 16.485 1.00 55.99 O HETATM 1965 O HOH 101 -21.065 4.919 8.862 1.00 33.29 O HETATM 1966 O HOH 102 -23.051 -15.003 21.537 1.00 56.73 O HETATM 1967 O HOH 103 -14.275 -14.484 0.585 1.00 51.35 O HETATM 1968 O HOH 104 -2.523 -20.829 16.984 1.00 55.55 O HETATM 1969 O HOH 105 -17.779 14.818 9.873 1.00 46.82 O HETATM 1970 O HOH 106 -4.142 -31.250 18.632 1.00 55.34 O HETATM 1971 O HOH 107 -19.809 -2.777 24.021 1.00 46.52 O HETATM 1972 O HOH 108 -25.931 0.867 1.494 1.00 56.59 O HETATM 1973 O HOH 109 -21.430 -10.236 8.098 1.00 55.95 O HETATM 1974 O HOH 110 -21.016 -10.436 26.733 1.00 57.86 O HETATM 1975 O HOH 111 -26.656 -33.151 13.830 1.00 43.13 O HETATM 1976 O HOH 112 -18.284 -6.922 12.807 1.00 40.22 O HETATM 1977 O HOH 113 -16.623 -14.405 5.586 1.00 48.58 O HETATM 1978 O HOH 114 -25.981 0.727 10.495 1.00 64.41 O HETATM 1979 O HOH 115 -5.235 -8.779 -4.862 1.00 60.52 O HETATM 1980 O HOH 116 -1.671 -36.210 13.713 1.00 78.63 O HETATM 1981 O HOH 117 -16.553 -13.154 28.226 1.00 42.92 O HETATM 1982 O HOH 118 -12.145 6.299 -0.601 1.00 40.04 O HETATM 1983 O HOH 119 -21.852 -13.362 22.390 1.00 58.39 O HETATM 1984 O HOH 120 -11.715 -18.056 0.873 1.00 51.69 O HETATM 1985 O HOH 121 -21.671 -11.432 20.419 1.00 58.17 O HETATM 1986 O HOH 122 -26.888 -34.095 19.255 1.00 55.45 O HETATM 1987 O HOH 123 7.197 -16.235 4.896 1.00 63.35 O HETATM 1988 O HOH 124 -14.282 -18.597 0.537 1.00 46.58 O HETATM 1989 O HOH 125 -17.318 -37.184 13.281 1.00 56.73 O HETATM 1990 O HOH 126 -10.055 -28.845 20.626 1.00 45.45 O HETATM 1991 O HOH 127 -21.438 6.051 6.135 1.00 44.98 O HETATM 1992 O HOH 128 -21.687 -4.094 17.635 1.00 54.17 O HETATM 1993 O HOH 129 -15.474 -22.868 2.681 1.00 46.04 O HETATM 1994 O HOH 130 -25.830 6.120 9.043 1.00 57.61 O HETATM 1995 O HOH 131 -7.315 -37.066 10.189 1.00 62.25 O HETATM 1996 O HOH 132 -16.130 -15.995 29.507 1.00 62.25 O HETATM 1997 O HOH 133 -8.192 3.879 9.241 1.00 56.38 O HETATM 1998 O HOH 134 -21.191 -5.343 26.168 1.00 56.15 O HETATM 1999 O HOH 135 -28.994 13.461 17.531 1.00 77.53 O HETATM 2000 O HOH 136 -23.963 3.429 2.056 1.00 67.40 O HETATM 2001 O HOH 137 -23.148 -1.532 11.405 1.00 49.09 O HETATM 2002 O HOH 138 -26.413 -25.219 20.439 1.00 43.38 O HETATM 2003 O HOH 139 -5.532 -26.144 5.043 1.00 53.04 O HETATM 2004 O HOH 140 -26.018 -29.537 17.478 1.00 40.20 O HETATM 2005 O HOH 141 -30.186 -31.945 11.326 1.00 52.49 O HETATM 2006 O HOH 142 -3.152 1.322 7.305 1.00 68.74 O HETATM 2007 O HOH 143 -16.193 -40.577 21.155 1.00 44.55 O HETATM 2008 O HOH 144 -15.485 -36.357 7.796 1.00 62.67 O HETATM 2009 O HOH 145 -14.385 -38.532 16.356 1.00 63.38 O HETATM 2010 O HOH 146 -27.575 -32.024 8.269 1.00 56.22 O HETATM 2011 O HOH 147 -9.468 9.850 23.874 1.00 54.09 O HETATM 2012 O HOH 148 3.086 -0.203 7.041 1.00 55.30 O HETATM 2013 O HOH 149 -26.568 -28.608 6.325 1.00 43.79 O HETATM 2014 O HOH 150 -7.153 -8.175 15.793 1.00 72.21 O HETATM 2015 O HOH 151 -22.879 -33.148 22.797 1.00 51.75 O HETATM 2016 O HOH 152 -10.887 -14.874 -2.006 1.00 39.29 O HETATM 2017 O HOH 153 -25.207 -29.544 19.918 1.00 43.70 O HETATM 2018 O HOH 154 -20.186 7.636 9.376 1.00 33.84 O HETATM 2019 O HOH 155 -7.719 -29.848 24.651 1.00 56.79 O HETATM 2020 O HOH 156 -16.870 14.264 23.799 1.00 60.70 O HETATM 2021 O HOH 157 -18.479 11.361 25.906 1.00 45.65 O HETATM 2022 O HOH 158 -14.291 15.496 20.027 1.00 45.44 O HETATM 2023 O HOH 159 -19.396 -28.434 23.656 1.00 44.98 O HETATM 2024 O HOH 160 -21.857 -29.621 23.031 1.00 51.55 O HETATM 2025 O HOH 161 -11.685 14.482 8.780 1.00 49.55 O HETATM 2026 O HOH 162 -16.187 -16.004 1.387 1.00 45.69 O HETATM 2027 O HOH 163 -23.340 -5.040 24.747 1.00 62.59 O HETATM 2028 O HOH 164 -25.964 3.185 26.990 1.00 43.27 O HETATM 2029 O HOH 165 -8.773 2.139 -0.974 1.00 52.22 O HETATM 2030 O HOH 166 -15.390 -24.430 0.894 1.00 74.76 O HETATM 2031 O HOH 167 -4.498 -11.309 11.524 1.00 62.55 O HETATM 2032 O HOH 168 -8.980 1.335 7.901 1.00 61.91 O HETATM 2033 O HOH 169 -4.133 -0.793 9.562 1.00 70.71 O HETATM 2034 C10 BNQ A 170 -7.479 -10.211 12.247 1.00 -0.06 C HETATM 2035 C09 BNQ A 170 -8.017 -11.382 12.755 1.00 -0.08 C HETATM 2036 C08 BNQ A 170 -9.210 -11.369 13.452 1.00 -0.08 C HETATM 2037 C07 BNQ A 170 -9.892 -10.180 13.655 1.00 -0.05 C HETATM 2038 C06 BNQ A 170 -9.357 -9.004 13.145 1.00 0.05 C HETATM 2039 C11 BNQ A 170 -8.150 -9.001 12.439 1.00 0.01 C HETATM 2040 N03 BNQ A 170 -7.729 -7.753 11.985 1.00 -0.31 N HETATM 2041 C05 BNQ A 170 -8.591 -6.845 12.348 1.00 0.21 C HETATM 2042 N04 BNQ A 170 -8.410 -5.523 12.012 1.00 -0.19 N HETATM 2043 C12 BNQ A 170 -8.554 -5.065 10.734 1.00 0.22 C HETATM 2044 C13 BNQ A 170 -8.889 -3.592 10.618 1.00 0.07 C HETATM 2045 C14 BNQ A 170 -7.697 -2.769 10.088 1.00 0.04 C HETATM 2046 C15 BNQ A 170 -6.455 -3.617 9.850 1.00 -0.03 C HETATM 2047 C20 BNQ A 170 -5.657 -4.036 10.908 1.00 -0.06 C HETATM 2048 C19 BNQ A 170 -4.524 -4.797 10.683 1.00 -0.07 C HETATM 2049 C18 BNQ A 170 -4.163 -5.141 9.398 1.00 -0.07 C HETATM 2050 C17 BNQ A 170 -4.939 -4.723 8.337 1.00 -0.07 C HETATM 2051 C16 BNQ A 170 -6.074 -3.964 8.560 1.00 -0.06 C HETATM 2052 H13 BNQ A 170 -6.673 -3.636 7.718 1.00 0.06 H HETATM 2053 H4 BNQ A 170 -4.659 -4.990 7.325 1.00 0.06 H HETATM 2054 H14 BNQ A 170 -3.275 -5.737 9.222 1.00 0.06 H HETATM 2055 H15 BNQ A 170 -3.918 -5.124 11.520 1.00 0.06 H HETATM 2056 H5 BNQ A 170 -5.926 -3.763 11.922 1.00 0.06 H HETATM 2057 C21 BNQ A 170 -7.380 -1.565 10.967 1.00 -0.03 C HETATM 2058 C22 BNQ A 170 -7.154 -0.319 10.397 1.00 -0.06 C HETATM 2059 C23 BNQ A 170 -6.859 0.777 11.188 1.00 -0.07 C HETATM 2060 C24 BNQ A 170 -6.781 0.644 12.559 1.00 -0.07 C HETATM 2061 C25 BNQ A 170 -6.999 -0.589 13.138 1.00 -0.07 C HETATM 2062 C26 BNQ A 170 -7.294 -1.686 12.348 1.00 -0.06 C HETATM 2063 H8 BNQ A 170 -7.460 -2.651 12.812 1.00 0.06 H HETATM 2064 H17 BNQ A 170 -6.939 -0.699 14.215 1.00 0.06 H HETATM 2065 H7 BNQ A 170 -6.550 1.504 13.178 1.00 0.06 H HETATM 2066 H16 BNQ A 170 -6.689 1.744 10.729 1.00 0.06 H HETATM 2067 H6 BNQ A 170 -7.209 -0.204 9.320 1.00 0.06 H HETATM 2068 H12 BNQ A 170 -8.003 -2.374 9.108 1.00 0.06 H HETATM 2069 H2 BNQ A 170 -9.169 -3.212 11.611 1.00 0.06 H HETATM 2070 H3 BNQ A 170 -9.737 -3.474 9.928 1.00 0.06 H HETATM 2071 O02 BNQ A 170 -8.662 -5.824 9.774 1.00 -0.38 O HETATM 2072 H18 BNQ A 170 -8.164 -4.873 12.731 1.00 0.24 H HETATM 2073 S01 BNQ A 170 -9.988 -7.383 13.245 1.00 0.03 S HETATM 2074 H9 BNQ A 170 -10.827 -10.168 14.203 1.00 0.06 H HETATM 2075 H10 BNQ A 170 -9.615 -12.295 13.843 1.00 0.05 H HETATM 2076 H11 BNQ A 170 -7.496 -12.320 12.604 1.00 0.05 H HETATM 2077 H1 BNQ A 170 -6.542 -10.233 11.703 1.00 0.05 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 693 692 1868 CONECT 730 729 1868 CONECT 733 732 1865 CONECT 752 751 1865 CONECT 763 762 1868 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 1868 693 730 763 CONECT 2034 2035 2039 2077 CONECT 2035 2034 2036 2076 CONECT 2036 2035 2037 2075 CONECT 2037 2036 2038 2074 CONECT 2038 2037 2039 2073 CONECT 2039 2034 2038 2040 CONECT 2040 2039 2041 CONECT 2041 2040 2042 2073 CONECT 2042 2041 2043 2072 CONECT 2043 2042 2044 2071 CONECT 2044 2043 2045 2069 2070 CONECT 2045 2044 2046 2057 2068 CONECT 2046 2045 2047 2051 CONECT 2047 2046 2048 2056 CONECT 2048 2047 2049 2055 CONECT 2049 2048 2050 2054 CONECT 2050 2049 2051 2053 CONECT 2051 2046 2050 2052 CONECT 2052 2051 CONECT 2053 2050 CONECT 2054 2049 CONECT 2055 2048 CONECT 2056 2047 CONECT 2057 2045 2058 2062 CONECT 2058 2057 2059 2067 CONECT 2059 2058 2060 2066 CONECT 2060 2059 2061 2065 CONECT 2061 2060 2062 2064 CONECT 2062 2057 2061 2063 CONECT 2063 2062 CONECT 2064 2061 CONECT 2065 2060 CONECT 2066 2059 CONECT 2067 2058 CONECT 2068 2045 CONECT 2069 2044 CONECT 2070 2044 CONECT 2071 2043 CONECT 2072 2042 CONECT 2073 2038 2041 CONECT 2074 2037 CONECT 2075 2036 CONECT 2076 2035 CONECT 2077 2034 MASTER 0 0 0 0 0 0 0 0 2076 1 67 15 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6epa
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5aan
RCSB PDB
PDBbind
187aa, >5AAN_1|Chain... *
5fyx
RCSB PDB
PDBbind
187aa, >5FYX_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
6epa
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
FI18190p1
Ligand Name
BNQ
EC.Number
E.C.-.-.-.-
Resolution
1.82(Å)
Affinity (Kd/Ki/IC50)
Kd=1.13uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 5910-5921
Ligand Properties
Formula
C
2
2
H
1
8
N
2
OS
Molecular Weight
358.456
Exact Mass
358.114
No. of atoms
44
No. of bonds
47
Polar Surface Area
70.23
LOGP Value
5.23 (
Computed with XLOGP3
)
5.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 4
Canonical SMILES
O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2c(s1)cccc2
InChI String
InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9VWX8
Entrez Gene ID
NCBI Entrez Gene ID:
32799
ASD
Information of known allosteric effects of PDB entries
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