Browse entries in the PDBbind-CN Database
HEADER 1IKT_COMPLEX COMPND 1IKT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 115 LEU GLN SER THR PHE VAL PHE GLU GLU ILE GLY ARG ARG SEQRES 2 A 115 LEU LYS ASP ILE GLY PRO GLU VAL VAL LYS LYS VAL ASN SEQRES 3 A 115 ALA VAL PHE GLU TRP HIS ILE THR LYS GLY GLY ASN ILE SEQRES 4 A 115 GLY ALA LYS TRP THR ILE ASP LEU LYS SER GLY SER GLY SEQRES 5 A 115 LYS VAL TYR GLN GLY PRO ALA LYS GLY ALA ALA ASP THR SEQRES 6 A 115 THR ILE ILE LEU SER ASP GLU ASP PHE MET GLU VAL VAL SEQRES 7 A 115 LEU GLY LYS LEU ASP PRO GLN LYS ALA PHE PHE SER GLY SEQRES 8 A 115 ARG LEU LYS ALA ARG GLY ASN ILE MET LEU SER GLN LYS SEQRES 9 A 115 LEU GLN MET ILE LEU LYS ASP TYR ALA LYS LEU HET OXN A 242 61 ATOM 1 N LEU A 6 36.996 19.258 3.069 1.00 31.74 N ATOM 2 CA LEU A 6 36.957 20.352 4.090 1.00 29.51 C ATOM 3 C LEU A 6 36.420 19.868 5.427 1.00 28.73 C ATOM 4 O LEU A 6 35.364 19.243 5.498 1.00 30.91 O ATOM 5 CB LEU A 6 36.092 21.531 3.587 1.00 28.98 C ATOM 6 CG LEU A 6 36.529 22.076 2.220 1.00 30.90 C ATOM 7 CD1 LEU A 6 35.463 23.008 1.653 1.00 31.53 C ATOM 8 CD2 LEU A 6 37.876 22.783 2.343 1.00 34.23 C ATOM 9 HA LEU A 6 37.984 20.684 4.238 1.00 0.00 H ATOM 10 HB2 LEU A 6 35.059 21.192 3.509 1.00 0.00 H ATOM 11 HB3 LEU A 6 36.153 22.339 4.316 1.00 0.00 H ATOM 12 HG LEU A 6 36.646 21.243 1.526 1.00 0.00 H ATOM 13 HD21 LEU A 6 37.788 23.611 3.047 1.00 0.00 H ATOM 14 HD22 LEU A 6 38.624 22.077 2.703 1.00 0.00 H ATOM 15 HD23 LEU A 6 38.175 23.165 1.367 1.00 0.00 H ATOM 16 HD11 LEU A 6 34.528 22.460 1.535 1.00 0.00 H ATOM 17 HD12 LEU A 6 35.312 23.843 2.337 1.00 0.00 H ATOM 18 HD13 LEU A 6 35.790 23.385 0.684 1.00 0.00 H ATOM 19 HN3 LEU A 6 36.034 18.891 2.919 1.00 0.00 H ATOM 20 HN2 LEU A 6 37.612 18.491 3.408 1.00 0.00 H ATOM 21 HN1 LEU A 6 37.369 19.634 2.174 1.00 0.00 H ATOM 22 N GLN A 7 37.156 20.164 6.493 1.00 26.66 N ATOM 23 CA GLN A 7 36.753 19.780 7.845 1.00 25.37 C ATOM 24 C GLN A 7 35.461 20.481 8.293 1.00 24.66 C ATOM 25 O GLN A 7 34.662 19.923 9.047 1.00 23.00 O ATOM 26 CB GLN A 7 37.888 20.097 8.825 1.00 26.65 C ATOM 27 CG GLN A 7 39.071 19.133 8.701 1.00 31.61 C ATOM 28 CD GLN A 7 40.224 19.471 9.629 1.00 32.68 C ATOM 29 OE1 GLN A 7 40.054 20.109 10.678 1.00 34.63 O ATOM 30 NE2 GLN A 7 41.415 19.019 9.255 1.00 37.94 N ATOM 31 HA GLN A 7 36.550 18.709 7.838 1.00 0.00 H ATOM 32 HB2 GLN A 7 38.242 21.109 8.631 1.00 0.00 H ATOM 33 HB3 GLN A 7 37.497 20.039 9.841 1.00 0.00 H ATOM 34 HG2 GLN A 7 38.723 18.127 8.934 1.00 0.00 H ATOM 35 HG3 GLN A 7 39.434 19.162 7.674 1.00 0.00 H ATOM 36 HE22 GLN A 7 41.514 18.488 8.367 1.00 0.00 H ATOM 37 HE21 GLN A 7 42.249 19.196 9.851 1.00 0.00 H ATOM 38 H GLN A 7 38.046 20.685 6.362 1.00 0.00 H ATOM 39 N SER A 8 35.248 21.706 7.809 1.00 21.79 N ATOM 40 CA SER A 8 34.079 22.480 8.199 1.00 23.53 C ATOM 41 C SER A 8 32.756 21.840 7.790 1.00 21.85 C ATOM 42 O SER A 8 31.733 22.108 8.401 1.00 21.54 O ATOM 43 CB SER A 8 34.171 23.909 7.624 1.00 21.07 C ATOM 44 OG SER A 8 34.346 23.879 6.232 1.00 20.43 O ATOM 45 HA SER A 8 34.084 22.510 9.289 1.00 0.00 H ATOM 46 HB2 SER A 8 35.017 24.423 8.079 1.00 0.00 H ATOM 47 HB3 SER A 8 33.252 24.447 7.857 1.00 0.00 H ATOM 48 HG SER A 8 35.182 23.394 6.016 1.00 0.00 H ATOM 49 H SER A 8 35.931 22.116 7.140 1.00 0.00 H ATOM 50 N THR A 9 32.779 20.983 6.781 1.00 21.70 N ATOM 51 CA THR A 9 31.547 20.371 6.333 1.00 23.75 C ATOM 52 C THR A 9 30.843 19.601 7.461 1.00 25.13 C ATOM 53 O THR A 9 29.628 19.707 7.600 1.00 23.82 O ATOM 54 CB THR A 9 31.781 19.470 5.117 1.00 24.10 C ATOM 55 OG1 THR A 9 32.263 20.266 4.015 1.00 25.83 O ATOM 56 CG2 THR A 9 30.493 18.754 4.744 1.00 25.34 C ATOM 57 HA THR A 9 30.883 21.181 6.030 1.00 0.00 H ATOM 58 HB THR A 9 32.531 18.717 5.359 1.00 0.00 H ATOM 59 HG1 THR A 9 32.414 19.683 3.229 1.00 0.00 H ATOM 60 HG23 THR A 9 30.150 18.161 5.592 1.00 0.00 H ATOM 61 HG21 THR A 9 29.732 19.490 4.482 1.00 0.00 H ATOM 62 HG22 THR A 9 30.676 18.100 3.891 1.00 0.00 H ATOM 63 H THR A 9 33.678 20.751 6.313 1.00 0.00 H ATOM 64 N PHE A 10 31.604 18.859 8.266 1.00 26.77 N ATOM 65 CA PHE A 10 31.029 18.101 9.395 1.00 27.56 C ATOM 66 C PHE A 10 30.289 19.051 10.343 1.00 25.76 C ATOM 67 O PHE A 10 29.267 18.690 10.952 1.00 24.83 O ATOM 68 CB PHE A 10 32.119 17.428 10.260 1.00 31.40 C ATOM 69 CG PHE A 10 32.922 16.360 9.563 1.00 35.91 C ATOM 70 CD1 PHE A 10 34.254 16.600 9.216 1.00 37.69 C ATOM 71 CD2 PHE A 10 32.369 15.098 9.305 1.00 36.04 C ATOM 72 CE1 PHE A 10 35.035 15.592 8.617 1.00 38.93 C ATOM 73 CE2 PHE A 10 33.138 14.089 8.711 1.00 36.59 C ATOM 74 CZ PHE A 10 34.469 14.339 8.368 1.00 38.46 C ATOM 75 HA PHE A 10 30.373 17.352 8.951 1.00 0.00 H ATOM 76 HB2 PHE A 10 32.808 18.202 10.597 1.00 0.00 H ATOM 77 HB3 PHE A 10 31.632 16.975 11.124 1.00 0.00 H ATOM 78 HD2 PHE A 10 31.330 14.900 9.569 1.00 0.00 H ATOM 79 HE2 PHE A 10 32.699 13.111 8.517 1.00 0.00 H ATOM 80 HZ PHE A 10 35.068 13.555 7.905 1.00 0.00 H ATOM 81 HE1 PHE A 10 36.073 15.788 8.350 1.00 0.00 H ATOM 82 HD1 PHE A 10 34.694 17.578 9.411 1.00 0.00 H ATOM 83 H PHE A 10 32.629 18.813 8.094 1.00 0.00 H ATOM 84 N VAL A 11 30.832 20.255 10.517 1.00 22.87 N ATOM 85 CA VAL A 11 30.220 21.212 11.428 1.00 21.83 C ATOM 86 C VAL A 11 28.909 21.786 10.890 1.00 21.16 C ATOM 87 O VAL A 11 27.917 21.841 11.625 1.00 19.84 O ATOM 88 CB VAL A 11 31.197 22.369 11.770 1.00 23.51 C ATOM 89 CG1 VAL A 11 30.563 23.337 12.722 1.00 23.94 C ATOM 90 CG2 VAL A 11 32.488 21.796 12.380 1.00 24.53 C ATOM 91 HA VAL A 11 29.989 20.656 12.337 1.00 0.00 H ATOM 92 HB VAL A 11 31.439 22.903 10.851 1.00 0.00 H ATOM 93 HG11 VAL A 11 29.666 23.757 12.267 1.00 0.00 H ATOM 94 HG12 VAL A 11 30.297 22.818 13.643 1.00 0.00 H ATOM 95 HG13 VAL A 11 31.267 24.138 12.946 1.00 0.00 H ATOM 96 HG21 VAL A 11 32.246 21.247 13.290 1.00 0.00 H ATOM 97 HG22 VAL A 11 32.960 21.124 11.663 1.00 0.00 H ATOM 98 HG23 VAL A 11 33.170 22.613 12.618 1.00 0.00 H ATOM 99 H VAL A 11 31.697 20.513 10.000 1.00 0.00 H ATOM 100 N PHE A 12 28.897 22.200 9.618 1.00 21.36 N ATOM 101 CA PHE A 12 27.689 22.760 9.030 1.00 21.86 C ATOM 102 C PHE A 12 26.585 21.706 9.007 1.00 23.03 C ATOM 103 O PHE A 12 25.426 22.025 9.259 1.00 22.28 O ATOM 104 CB PHE A 12 27.971 23.273 7.612 1.00 21.87 C ATOM 105 CG PHE A 12 28.648 24.607 7.602 1.00 20.16 C ATOM 106 CD1 PHE A 12 27.949 25.739 7.998 1.00 21.47 C ATOM 107 CD2 PHE A 12 30.017 24.714 7.299 1.00 21.26 C ATOM 108 CE1 PHE A 12 28.582 26.983 8.115 1.00 19.96 C ATOM 109 CE2 PHE A 12 30.665 25.951 7.409 1.00 18.37 C ATOM 110 CZ PHE A 12 29.941 27.085 7.820 1.00 19.75 C ATOM 111 HA PHE A 12 27.359 23.602 9.639 1.00 0.00 H ATOM 112 HB2 PHE A 12 28.611 22.553 7.102 1.00 0.00 H ATOM 113 HB3 PHE A 12 27.025 23.358 7.078 1.00 0.00 H ATOM 114 HD2 PHE A 12 30.574 23.834 6.978 1.00 0.00 H ATOM 115 HE2 PHE A 12 31.727 26.035 7.177 1.00 0.00 H ATOM 116 HZ PHE A 12 30.445 28.048 7.908 1.00 0.00 H ATOM 117 HE1 PHE A 12 28.019 27.861 8.433 1.00 0.00 H ATOM 118 HD1 PHE A 12 26.885 25.658 8.223 1.00 0.00 H ATOM 119 H PHE A 12 29.760 22.121 9.043 1.00 0.00 H ATOM 120 N GLU A 13 26.958 20.460 8.710 1.00 24.54 N ATOM 121 CA GLU A 13 25.982 19.351 8.667 1.00 23.88 C ATOM 122 C GLU A 13 25.394 19.113 10.050 1.00 24.19 C ATOM 123 O GLU A 13 24.204 18.869 10.180 1.00 23.84 O ATOM 124 CB GLU A 13 26.627 18.071 8.121 1.00 23.73 C ATOM 125 CG GLU A 13 26.909 18.182 6.631 1.00 28.55 C ATOM 126 CD GLU A 13 27.529 16.931 6.010 1.00 29.91 C ATOM 127 OE1 GLU A 13 28.033 16.055 6.742 1.00 33.73 O ATOM 128 OE2 GLU A 13 27.530 16.850 4.767 1.00 34.83 O ATOM 129 HA GLU A 13 25.175 19.631 7.990 1.00 0.00 H ATOM 130 HB2 GLU A 13 27.565 17.894 8.647 1.00 0.00 H ATOM 131 HB3 GLU A 13 25.952 17.233 8.293 1.00 0.00 H ATOM 132 HG2 GLU A 13 25.968 18.386 6.120 1.00 0.00 H ATOM 133 HG3 GLU A 13 27.594 19.016 6.475 1.00 0.00 H ATOM 134 H GLU A 13 27.958 20.265 8.504 1.00 0.00 H ATOM 135 N GLU A 14 26.222 19.224 11.087 1.00 24.31 N ATOM 136 CA GLU A 14 25.743 19.039 12.449 1.00 23.24 C ATOM 137 C GLU A 14 24.829 20.201 12.845 1.00 23.53 C ATOM 138 O GLU A 14 23.828 20.001 13.525 1.00 23.68 O ATOM 139 CB GLU A 14 26.944 18.914 13.393 1.00 24.41 C ATOM 140 CG GLU A 14 26.629 18.826 14.889 1.00 25.06 C ATOM 141 CD GLU A 14 25.780 17.620 15.243 1.00 26.20 C ATOM 142 OE1 GLU A 14 25.766 16.653 14.469 1.00 24.07 O ATOM 143 OE2 GLU A 14 25.138 17.639 16.303 1.00 30.30 O ATOM 144 HA GLU A 14 25.156 18.123 12.519 1.00 0.00 H ATOM 145 HB2 GLU A 14 27.492 18.013 13.116 1.00 0.00 H ATOM 146 HB3 GLU A 14 27.580 19.786 13.239 1.00 0.00 H ATOM 147 HG2 GLU A 14 27.568 18.765 15.439 1.00 0.00 H ATOM 148 HG3 GLU A 14 26.094 19.728 15.186 1.00 0.00 H ATOM 149 H GLU A 14 27.224 19.446 10.922 1.00 0.00 H ATOM 150 N ILE A 15 25.144 21.424 12.409 1.00 22.25 N ATOM 151 CA ILE A 15 24.271 22.545 12.760 1.00 22.81 C ATOM 152 C ILE A 15 22.911 22.268 12.122 1.00 23.42 C ATOM 153 O ILE A 15 21.878 22.499 12.739 1.00 25.42 O ATOM 154 CB ILE A 15 24.848 23.907 12.249 1.00 22.08 C ATOM 155 CG1 ILE A 15 26.114 24.256 13.042 1.00 23.22 C ATOM 156 CG2 ILE A 15 23.825 25.028 12.422 1.00 21.70 C ATOM 157 CD1 ILE A 15 26.906 25.469 12.513 1.00 25.87 C ATOM 158 HA ILE A 15 24.189 22.630 13.844 1.00 0.00 H ATOM 159 HB ILE A 15 25.084 23.806 11.190 1.00 0.00 H ATOM 160 HG12 ILE A 15 25.821 24.467 14.070 1.00 0.00 H ATOM 161 HG13 ILE A 15 26.774 23.388 13.024 1.00 0.00 H ATOM 162 HD11 ILE A 15 27.224 25.275 11.489 1.00 0.00 H ATOM 163 HD12 ILE A 15 26.270 26.354 12.536 1.00 0.00 H ATOM 164 HD13 ILE A 15 27.781 25.632 13.142 1.00 0.00 H ATOM 165 HG21 ILE A 15 22.927 24.790 11.852 1.00 0.00 H ATOM 166 HG22 ILE A 15 23.571 25.127 13.477 1.00 0.00 H ATOM 167 HG23 ILE A 15 24.249 25.964 12.060 1.00 0.00 H ATOM 168 H ILE A 15 25.995 21.577 11.830 1.00 0.00 H ATOM 169 N GLY A 16 22.930 21.767 10.891 1.00 23.78 N ATOM 170 CA GLY A 16 21.707 21.437 10.172 1.00 26.58 C ATOM 171 C GLY A 16 20.893 20.407 10.939 1.00 29.41 C ATOM 172 O GLY A 16 19.691 20.600 11.138 1.00 28.93 O ATOM 173 HA3 GLY A 16 21.965 21.033 9.193 1.00 0.00 H ATOM 174 HA2 GLY A 16 21.112 22.341 10.045 1.00 0.00 H ATOM 175 H GLY A 16 23.847 21.606 10.427 1.00 0.00 H ATOM 176 N ARG A 17 21.535 19.316 11.364 1.00 27.87 N ATOM 177 CA ARG A 17 20.842 18.277 12.138 1.00 30.65 C ATOM 178 C ARG A 17 20.249 18.854 13.434 1.00 30.80 C ATOM 179 O ARG A 17 19.120 18.513 13.818 1.00 32.05 O ATOM 180 CB ARG A 17 21.789 17.129 12.531 1.00 33.23 C ATOM 181 CG ARG A 17 22.669 16.569 11.442 1.00 36.93 C ATOM 182 CD ARG A 17 23.518 15.420 11.996 1.00 40.06 C ATOM 183 NE ARG A 17 24.830 15.290 11.343 1.00 42.92 N ATOM 184 CZ ARG A 17 25.015 14.993 10.058 1.00 45.44 C ATOM 185 NH1 ARG A 17 23.969 14.796 9.264 1.00 46.15 N ATOM 186 NH2 ARG A 17 26.249 14.871 9.565 1.00 46.57 N ATOM 187 HA ARG A 17 20.050 17.897 11.493 1.00 0.00 H ATOM 188 HB2 ARG A 17 22.440 17.495 13.325 1.00 0.00 H ATOM 189 HB3 ARG A 17 21.176 16.312 12.913 1.00 0.00 H ATOM 190 HG2 ARG A 17 22.046 16.198 10.628 1.00 0.00 H ATOM 191 HG3 ARG A 17 23.325 17.355 11.067 1.00 0.00 H ATOM 192 HD2 ARG A 17 22.970 14.488 11.858 1.00 0.00 H ATOM 193 HD3 ARG A 17 23.678 15.591 13.061 1.00 0.00 H ATOM 194 HE ARG A 17 25.676 15.441 11.929 1.00 0.00 H ATOM 195 HH12 ARG A 17 24.114 14.564 8.261 1.00 0.00 H ATOM 196 HH11 ARG A 17 23.005 14.874 9.646 1.00 0.00 H ATOM 197 HH22 ARG A 17 26.387 14.639 8.561 1.00 0.00 H ATOM 198 HH21 ARG A 17 27.073 15.008 10.185 1.00 0.00 H ATOM 199 H ARG A 17 22.545 19.200 11.143 1.00 0.00 H ATOM 200 N ARG A 18 20.994 19.720 14.121 1.00 29.94 N ATOM 201 CA ARG A 18 20.482 20.282 15.369 1.00 30.30 C ATOM 202 C ARG A 18 19.323 21.242 15.180 1.00 30.85 C ATOM 203 O ARG A 18 18.416 21.272 16.008 1.00 30.25 O ATOM 204 CB ARG A 18 21.587 20.958 16.164 1.00 31.36 C ATOM 205 CG ARG A 18 22.704 19.990 16.509 1.00 35.49 C ATOM 206 CD ARG A 18 23.592 20.530 17.591 1.00 38.25 C ATOM 207 NE ARG A 18 24.626 19.563 17.960 1.00 39.86 N ATOM 208 CZ ARG A 18 25.192 19.505 19.161 1.00 40.80 C ATOM 209 NH1 ARG A 18 24.819 20.356 20.111 1.00 42.27 N ATOM 210 NH2 ARG A 18 26.135 18.602 19.413 1.00 41.19 N ATOM 211 HA ARG A 18 20.097 19.430 15.929 1.00 0.00 H ATOM 212 HB2 ARG A 18 21.998 21.776 15.572 1.00 0.00 H ATOM 213 HB3 ARG A 18 21.166 21.355 17.088 1.00 0.00 H ATOM 214 HG2 ARG A 18 22.266 19.051 16.847 1.00 0.00 H ATOM 215 HG3 ARG A 18 23.304 19.810 15.617 1.00 0.00 H ATOM 216 HD2 ARG A 18 22.986 20.755 18.469 1.00 0.00 H ATOM 217 HD3 ARG A 18 24.070 21.443 17.236 1.00 0.00 H ATOM 218 HE ARG A 18 24.937 18.880 17.240 1.00 0.00 H ATOM 219 HH12 ARG A 18 25.261 20.312 21.051 1.00 0.00 H ATOM 220 HH11 ARG A 18 24.085 21.066 19.914 1.00 0.00 H ATOM 221 HH22 ARG A 18 26.576 18.559 20.354 1.00 0.00 H ATOM 222 HH21 ARG A 18 26.432 17.938 18.669 1.00 0.00 H ATOM 223 H ARG A 18 21.934 19.994 13.771 1.00 0.00 H ATOM 224 N LEU A 19 19.334 22.014 14.093 1.00 30.77 N ATOM 225 CA LEU A 19 18.224 22.945 13.848 1.00 33.28 C ATOM 226 C LEU A 19 16.889 22.218 13.734 1.00 35.90 C ATOM 227 O LEU A 19 15.857 22.771 14.099 1.00 37.35 O ATOM 228 CB LEU A 19 18.457 23.753 12.573 1.00 33.12 C ATOM 229 CG LEU A 19 19.573 24.776 12.677 1.00 32.22 C ATOM 230 CD1 LEU A 19 19.693 25.503 11.330 1.00 34.84 C ATOM 231 CD2 LEU A 19 19.288 25.745 13.805 1.00 33.19 C ATOM 232 HA LEU A 19 18.187 23.617 14.706 1.00 0.00 H ATOM 233 HB2 LEU A 19 18.703 23.059 11.769 1.00 0.00 H ATOM 234 HB3 LEU A 19 17.534 24.278 12.328 1.00 0.00 H ATOM 235 HG LEU A 19 20.519 24.284 12.902 1.00 0.00 H ATOM 236 HD21 LEU A 19 18.347 26.260 13.611 1.00 0.00 H ATOM 237 HD22 LEU A 19 19.216 25.196 14.744 1.00 0.00 H ATOM 238 HD23 LEU A 19 20.096 26.474 13.869 1.00 0.00 H ATOM 239 HD11 LEU A 19 19.922 24.780 10.547 1.00 0.00 H ATOM 240 HD12 LEU A 19 18.751 26.001 11.102 1.00 0.00 H ATOM 241 HD13 LEU A 19 20.492 26.243 11.388 1.00 0.00 H ATOM 242 H LEU A 19 20.126 21.957 13.421 1.00 0.00 H ATOM 243 N LYS A 20 16.907 20.992 13.212 1.00 39.04 N ATOM 244 CA LYS A 20 15.686 20.189 13.081 1.00 42.56 C ATOM 245 C LYS A 20 14.964 20.102 14.435 1.00 43.47 C ATOM 246 O LYS A 20 13.731 20.027 14.482 1.00 43.83 O ATOM 247 CB LYS A 20 16.014 18.759 12.615 1.00 43.82 C ATOM 248 CG LYS A 20 16.706 18.632 11.268 1.00 46.92 C ATOM 249 CD LYS A 20 15.743 18.760 10.088 1.00 48.41 C ATOM 250 CE LYS A 20 15.187 20.168 9.939 1.00 49.88 C ATOM 251 NZ LYS A 20 14.304 20.307 8.749 1.00 51.28 N ATOM 252 HA LYS A 20 15.049 20.674 12.342 1.00 0.00 H ATOM 253 HB2 LYS A 20 16.661 18.305 13.365 1.00 0.00 H ATOM 254 HB3 LYS A 20 15.077 18.204 12.561 1.00 0.00 H ATOM 255 HG2 LYS A 20 17.459 19.416 11.189 1.00 0.00 H ATOM 256 HG3 LYS A 20 17.191 17.657 11.217 1.00 0.00 H ATOM 257 HD2 LYS A 20 16.273 18.495 9.173 1.00 0.00 H ATOM 258 HD3 LYS A 20 14.913 18.070 10.238 1.00 0.00 H ATOM 259 HE2 LYS A 20 16.019 20.865 9.841 1.00 0.00 H ATOM 260 HE3 LYS A 20 14.613 20.414 10.832 1.00 0.00 H ATOM 261 HZ1 LYS A 20 14.845 20.082 7.890 1.00 0.00 H ATOM 262 HZ2 LYS A 20 13.501 19.652 8.836 1.00 0.00 H ATOM 263 HZ3 LYS A 20 13.951 21.284 8.693 1.00 0.00 H ATOM 264 H LYS A 20 17.811 20.593 12.889 1.00 0.00 H ATOM 265 N ASP A 21 15.733 20.116 15.527 1.00 43.75 N ATOM 266 CA ASP A 21 15.164 20.022 16.876 1.00 43.76 C ATOM 267 C ASP A 21 15.035 21.345 17.641 1.00 44.01 C ATOM 268 O ASP A 21 14.042 21.563 18.335 1.00 45.68 O ATOM 269 CB ASP A 21 15.983 19.045 17.729 1.00 44.77 C ATOM 270 CG ASP A 21 16.320 17.759 16.990 1.00 46.71 C ATOM 271 OD1 ASP A 21 15.486 17.298 16.178 1.00 47.95 O ATOM 272 OD2 ASP A 21 17.415 17.201 17.229 1.00 46.10 O ATOM 273 HA ASP A 21 14.146 19.670 16.711 1.00 0.00 H ATOM 274 HB2 ASP A 21 16.913 19.533 18.022 1.00 0.00 H ATOM 275 HB3 ASP A 21 15.409 18.795 18.621 1.00 0.00 H ATOM 276 H ASP A 21 16.764 20.196 15.418 1.00 0.00 H ATOM 277 N ILE A 22 16.026 22.222 17.522 1.00 41.62 N ATOM 278 CA ILE A 22 16.020 23.498 18.233 1.00 41.09 C ATOM 279 C ILE A 22 15.827 24.707 17.319 1.00 38.60 C ATOM 280 O ILE A 22 15.804 25.844 17.793 1.00 39.92 O ATOM 281 CB ILE A 22 17.356 23.723 18.972 1.00 40.94 C ATOM 282 CG1 ILE A 22 18.459 24.046 17.957 1.00 41.87 C ATOM 283 CG2 ILE A 22 17.727 22.480 19.738 1.00 43.51 C ATOM 284 CD1 ILE A 22 19.782 24.465 18.553 1.00 41.33 C ATOM 285 HA ILE A 22 15.177 23.426 18.920 1.00 0.00 H ATOM 286 HB ILE A 22 17.246 24.557 19.665 1.00 0.00 H ATOM 287 HG12 ILE A 22 18.629 23.157 17.350 1.00 0.00 H ATOM 288 HG13 ILE A 22 18.104 24.857 17.320 1.00 0.00 H ATOM 289 HD11 ILE A 22 19.640 25.364 19.153 1.00 0.00 H ATOM 290 HD12 ILE A 22 20.166 23.662 19.183 1.00 0.00 H ATOM 291 HD13 ILE A 22 20.491 24.670 17.751 1.00 0.00 H ATOM 292 HG21 ILE A 22 16.945 22.255 20.463 1.00 0.00 H ATOM 293 HG22 ILE A 22 17.832 21.645 19.045 1.00 0.00 H ATOM 294 HG23 ILE A 22 18.671 22.643 20.258 1.00 0.00 H ATOM 295 H ILE A 22 16.830 21.993 16.904 1.00 0.00 H ATOM 296 N GLY A 23 15.712 24.456 16.018 1.00 37.88 N ATOM 297 CA GLY A 23 15.567 25.531 15.042 1.00 36.37 C ATOM 298 C GLY A 23 14.586 26.654 15.330 1.00 36.26 C ATOM 299 O GLY A 23 14.915 27.832 15.164 1.00 34.13 O ATOM 300 HA3 GLY A 23 15.261 25.071 14.102 1.00 0.00 H ATOM 301 HA2 GLY A 23 16.549 25.987 14.919 1.00 0.00 H ATOM 302 H GLY A 23 15.726 23.470 15.688 1.00 0.00 H ATOM 303 N PRO A 24 13.362 26.329 15.760 1.00 36.61 N ATOM 304 CA PRO A 24 12.381 27.382 16.052 1.00 36.41 C ATOM 305 C PRO A 24 12.861 28.386 17.093 1.00 35.33 C ATOM 306 O PRO A 24 12.723 29.598 16.917 1.00 35.17 O ATOM 307 CB PRO A 24 11.163 26.592 16.533 1.00 36.46 C ATOM 308 CG PRO A 24 11.267 25.328 15.733 1.00 37.77 C ATOM 309 CD PRO A 24 12.746 24.994 15.849 1.00 36.90 C ATOM 310 HA PRO A 24 12.178 28.007 15.183 1.00 0.00 H ATOM 311 HD3 PRO A 24 12.972 24.515 16.802 1.00 0.00 H ATOM 312 HD2 PRO A 24 13.073 24.350 15.033 1.00 0.00 H ATOM 313 HG3 PRO A 24 10.979 25.492 14.695 1.00 0.00 H ATOM 314 HG2 PRO A 24 10.649 24.538 16.159 1.00 0.00 H ATOM 315 HB2 PRO A 24 11.221 26.389 17.602 1.00 0.00 H ATOM 316 HB3 PRO A 24 10.236 27.123 16.315 1.00 0.00 H ATOM 317 N GLU A 25 13.417 27.884 18.190 1.00 35.91 N ATOM 318 CA GLU A 25 13.896 28.757 19.251 1.00 34.62 C ATOM 319 C GLU A 25 15.063 29.644 18.790 1.00 33.35 C ATOM 320 O GLU A 25 15.185 30.795 19.214 1.00 31.42 O ATOM 321 CB GLU A 25 14.329 27.917 20.461 1.00 38.47 C ATOM 322 CG GLU A 25 13.256 26.953 21.005 1.00 41.80 C ATOM 323 CD GLU A 25 13.374 25.522 20.466 1.00 44.40 C ATOM 324 OE1 GLU A 25 13.009 25.272 19.293 1.00 44.73 O ATOM 325 OE2 GLU A 25 13.839 24.640 21.226 1.00 45.89 O ATOM 326 HA GLU A 25 13.073 29.415 19.529 1.00 0.00 H ATOM 327 HB2 GLU A 25 15.197 27.326 20.169 1.00 0.00 H ATOM 328 HB3 GLU A 25 14.608 28.599 21.264 1.00 0.00 H ATOM 329 HG2 GLU A 25 13.344 26.919 22.091 1.00 0.00 H ATOM 330 HG3 GLU A 25 12.275 27.342 20.733 1.00 0.00 H ATOM 331 H GLU A 25 13.511 26.853 18.292 1.00 0.00 H ATOM 332 N VAL A 26 15.928 29.097 17.939 1.00 31.32 N ATOM 333 CA VAL A 26 17.074 29.861 17.435 1.00 31.10 C ATOM 334 C VAL A 26 16.606 30.967 16.488 1.00 29.41 C ATOM 335 O VAL A 26 17.079 32.101 16.563 1.00 30.03 O ATOM 336 CB VAL A 26 18.081 28.947 16.688 1.00 31.15 C ATOM 337 CG1 VAL A 26 19.261 29.796 16.158 1.00 30.71 C ATOM 338 CG2 VAL A 26 18.591 27.845 17.637 1.00 31.58 C ATOM 339 HA VAL A 26 17.574 30.302 18.298 1.00 0.00 H ATOM 340 HB VAL A 26 17.583 28.473 15.842 1.00 0.00 H ATOM 341 HG11 VAL A 26 18.882 30.554 15.472 1.00 0.00 H ATOM 342 HG12 VAL A 26 19.764 30.280 16.995 1.00 0.00 H ATOM 343 HG13 VAL A 26 19.965 29.150 15.634 1.00 0.00 H ATOM 344 HG21 VAL A 26 19.087 28.304 18.492 1.00 0.00 H ATOM 345 HG22 VAL A 26 17.748 27.246 17.983 1.00 0.00 H ATOM 346 HG23 VAL A 26 19.297 27.208 17.105 1.00 0.00 H ATOM 347 H VAL A 26 15.789 28.115 17.627 1.00 0.00 H ATOM 348 N VAL A 27 15.673 30.621 15.601 1.00 29.75 N ATOM 349 CA VAL A 27 15.103 31.572 14.653 1.00 29.43 C ATOM 350 C VAL A 27 14.528 32.788 15.365 1.00 30.57 C ATOM 351 O VAL A 27 14.796 33.917 14.964 1.00 30.73 O ATOM 352 CB VAL A 27 14.020 30.895 13.787 1.00 29.37 C ATOM 353 CG1 VAL A 27 13.213 31.935 13.001 1.00 28.45 C ATOM 354 CG2 VAL A 27 14.680 29.916 12.851 1.00 28.14 C ATOM 355 HA VAL A 27 15.908 31.913 14.002 1.00 0.00 H ATOM 356 HB VAL A 27 13.324 30.365 14.437 1.00 0.00 H ATOM 357 HG11 VAL A 27 12.727 32.618 13.698 1.00 0.00 H ATOM 358 HG12 VAL A 27 13.883 32.495 12.348 1.00 0.00 H ATOM 359 HG13 VAL A 27 12.458 31.429 12.400 1.00 0.00 H ATOM 360 HG21 VAL A 27 15.385 30.446 12.210 1.00 0.00 H ATOM 361 HG22 VAL A 27 15.211 29.162 13.432 1.00 0.00 H ATOM 362 HG23 VAL A 27 13.920 29.434 12.236 1.00 0.00 H ATOM 363 H VAL A 27 15.339 29.636 15.584 1.00 0.00 H ATOM 364 N LYS A 28 13.742 32.577 16.421 1.00 30.44 N ATOM 365 CA LYS A 28 13.186 33.711 17.153 1.00 33.14 C ATOM 366 C LYS A 28 14.264 34.625 17.709 1.00 32.79 C ATOM 367 O LYS A 28 14.129 35.846 17.696 1.00 34.95 O ATOM 368 CB LYS A 28 12.362 33.251 18.351 1.00 33.72 C ATOM 369 CG LYS A 28 11.064 32.569 18.056 1.00 38.99 C ATOM 370 CD LYS A 28 10.382 32.348 19.403 1.00 39.37 C ATOM 371 CE LYS A 28 9.344 31.262 19.336 1.00 39.74 C ATOM 372 NZ LYS A 28 9.011 30.829 20.729 1.00 39.54 N ATOM 373 HA LYS A 28 12.571 34.243 16.427 1.00 0.00 H ATOM 374 HB2 LYS A 28 12.975 32.558 18.927 1.00 0.00 H ATOM 375 HB3 LYS A 28 12.143 34.130 18.957 1.00 0.00 H ATOM 376 HG2 LYS A 28 10.444 33.197 17.417 1.00 0.00 H ATOM 377 HG3 LYS A 28 11.243 31.614 17.562 1.00 0.00 H ATOM 378 HD2 LYS A 28 11.137 32.069 20.139 1.00 0.00 H ATOM 379 HD3 LYS A 28 9.901 33.276 19.711 1.00 0.00 H ATOM 380 HE2 LYS A 28 9.735 30.415 18.772 1.00 0.00 H ATOM 381 HE3 LYS A 28 8.448 31.641 18.845 1.00 0.00 H ATOM 382 HZ1 LYS A 28 9.869 30.470 21.194 1.00 0.00 H ATOM 383 HZ2 LYS A 28 8.640 31.640 21.264 1.00 0.00 H ATOM 384 HZ3 LYS A 28 8.293 30.077 20.695 1.00 0.00 H ATOM 385 H LYS A 28 13.525 31.606 16.723 1.00 0.00 H ATOM 386 N LYS A 29 15.326 34.014 18.224 1.00 33.82 N ATOM 387 CA LYS A 29 16.427 34.727 18.850 1.00 33.76 C ATOM 388 C LYS A 29 17.396 35.437 17.919 1.00 34.22 C ATOM 389 O LYS A 29 17.906 36.517 18.252 1.00 33.17 O ATOM 390 CB LYS A 29 17.220 33.761 19.720 1.00 37.34 C ATOM 391 CG LYS A 29 16.468 33.219 20.930 1.00 41.85 C ATOM 392 CD LYS A 29 17.286 32.113 21.574 1.00 43.31 C ATOM 393 CE LYS A 29 16.845 31.824 22.992 1.00 47.28 C ATOM 394 NZ LYS A 29 17.656 30.717 23.581 1.00 48.59 N ATOM 395 HA LYS A 29 15.943 35.521 19.419 1.00 0.00 H ATOM 396 HB2 LYS A 29 17.519 32.915 19.101 1.00 0.00 H ATOM 397 HB3 LYS A 29 18.109 34.280 20.078 1.00 0.00 H ATOM 398 HG2 LYS A 29 16.309 34.022 21.650 1.00 0.00 H ATOM 399 HG3 LYS A 29 15.504 32.822 20.612 1.00 0.00 H ATOM 400 HD2 LYS A 29 17.177 31.205 20.981 1.00 0.00 H ATOM 401 HD3 LYS A 29 18.334 32.413 21.587 1.00 0.00 H ATOM 402 HE2 LYS A 29 15.794 31.535 22.989 1.00 0.00 H ATOM 403 HE3 LYS A 29 16.972 32.722 23.597 1.00 0.00 H ATOM 404 HZ1 LYS A 29 17.534 29.857 23.008 1.00 0.00 H ATOM 405 HZ2 LYS A 29 18.659 30.990 23.589 1.00 0.00 H ATOM 406 HZ3 LYS A 29 17.337 30.535 24.554 1.00 0.00 H ATOM 407 H LYS A 29 15.371 32.976 18.177 1.00 0.00 H ATOM 408 N VAL A 30 17.641 34.841 16.754 1.00 33.36 N ATOM 409 CA VAL A 30 18.592 35.415 15.797 1.00 31.37 C ATOM 410 C VAL A 30 17.930 36.166 14.641 1.00 30.22 C ATOM 411 O VAL A 30 18.321 37.295 14.328 1.00 31.21 O ATOM 412 CB VAL A 30 19.521 34.310 15.247 1.00 31.25 C ATOM 413 CG1 VAL A 30 20.574 34.916 14.331 1.00 32.41 C ATOM 414 CG2 VAL A 30 20.183 33.586 16.396 1.00 30.44 C ATOM 415 HA VAL A 30 19.170 36.156 16.350 1.00 0.00 H ATOM 416 HB VAL A 30 18.929 33.599 14.671 1.00 0.00 H ATOM 417 HG11 VAL A 30 20.083 35.418 13.497 1.00 0.00 H ATOM 418 HG12 VAL A 30 21.169 35.637 14.891 1.00 0.00 H ATOM 419 HG13 VAL A 30 21.221 34.126 13.951 1.00 0.00 H ATOM 420 HG21 VAL A 30 20.769 34.295 16.981 1.00 0.00 H ATOM 421 HG22 VAL A 30 19.418 33.135 17.029 1.00 0.00 H ATOM 422 HG23 VAL A 30 20.838 32.807 16.004 1.00 0.00 H ATOM 423 H VAL A 30 17.150 33.955 16.519 1.00 0.00 H ATOM 424 N ASN A 31 16.929 35.552 14.012 1.00 28.56 N ATOM 425 CA ASN A 31 16.208 36.197 12.916 1.00 29.11 C ATOM 426 C ASN A 31 17.119 36.846 11.850 1.00 28.76 C ATOM 427 O ASN A 31 16.969 38.027 11.488 1.00 28.24 O ATOM 428 CB ASN A 31 15.232 37.230 13.505 1.00 33.99 C ATOM 429 CG ASN A 31 14.398 37.896 12.454 1.00 34.91 C ATOM 430 OD1 ASN A 31 13.962 37.261 11.491 1.00 39.79 O ATOM 431 ND2 ASN A 31 14.160 39.186 12.625 1.00 40.22 N ATOM 432 HA ASN A 31 15.668 35.414 12.383 1.00 0.00 H ATOM 433 HB2 ASN A 31 14.570 36.725 14.208 1.00 0.00 H ATOM 434 HB3 ASN A 31 15.806 37.993 14.032 1.00 0.00 H ATOM 435 HD22 ASN A 31 14.548 39.681 13.453 1.00 0.00 H ATOM 436 HD21 ASN A 31 13.584 39.705 11.931 1.00 0.00 H ATOM 437 H ASN A 31 16.655 34.593 14.307 1.00 0.00 H ATOM 438 N ALA A 32 18.052 36.061 11.328 1.00 26.18 N ATOM 439 CA ALA A 32 18.981 36.585 10.320 1.00 24.36 C ATOM 440 C ALA A 32 19.463 35.476 9.413 1.00 23.59 C ATOM 441 O ALA A 32 19.263 34.302 9.709 1.00 25.48 O ATOM 442 CB ALA A 32 20.183 37.230 11.013 1.00 25.50 C ATOM 443 HA ALA A 32 18.457 37.329 9.720 1.00 0.00 H ATOM 444 HB1 ALA A 32 19.840 38.047 11.648 1.00 0.00 H ATOM 445 HB2 ALA A 32 20.693 36.484 11.622 1.00 0.00 H ATOM 446 HB3 ALA A 32 20.870 37.618 10.260 1.00 0.00 H ATOM 447 H ALA A 32 18.126 35.070 11.634 1.00 0.00 H ATOM 448 N VAL A 33 20.116 35.860 8.316 1.00 21.11 N ATOM 449 CA VAL A 33 20.663 34.892 7.379 1.00 20.74 C ATOM 450 C VAL A 33 22.173 35.109 7.302 1.00 19.63 C ATOM 451 O VAL A 33 22.633 36.242 7.130 1.00 21.62 O ATOM 452 CB VAL A 33 20.030 35.076 5.965 1.00 21.79 C ATOM 453 CG1 VAL A 33 20.712 34.169 4.968 1.00 22.63 C ATOM 454 CG2 VAL A 33 18.558 34.775 6.026 1.00 24.20 C ATOM 455 HA VAL A 33 20.437 33.882 7.720 1.00 0.00 H ATOM 456 HB VAL A 33 20.167 36.108 5.643 1.00 0.00 H ATOM 457 HG11 VAL A 33 21.773 34.416 4.920 1.00 0.00 H ATOM 458 HG12 VAL A 33 20.593 33.132 5.281 1.00 0.00 H ATOM 459 HG13 VAL A 33 20.261 34.307 3.985 1.00 0.00 H ATOM 460 HG21 VAL A 33 18.412 33.747 6.357 1.00 0.00 H ATOM 461 HG22 VAL A 33 18.078 35.456 6.729 1.00 0.00 H ATOM 462 HG23 VAL A 33 18.121 34.905 5.036 1.00 0.00 H ATOM 463 H VAL A 33 20.237 36.875 8.126 1.00 0.00 H ATOM 464 N PHE A 34 22.952 34.040 7.463 1.00 18.83 N ATOM 465 CA PHE A 34 24.416 34.145 7.436 1.00 20.76 C ATOM 466 C PHE A 34 25.035 33.328 6.323 1.00 20.57 C ATOM 467 O PHE A 34 24.767 32.139 6.208 1.00 22.21 O ATOM 468 CB PHE A 34 25.012 33.666 8.771 1.00 20.16 C ATOM 469 CG PHE A 34 24.480 34.408 9.967 1.00 22.83 C ATOM 470 CD1 PHE A 34 23.250 34.057 10.539 1.00 23.59 C ATOM 471 CD2 PHE A 34 25.179 35.504 10.476 1.00 24.20 C ATOM 472 CE1 PHE A 34 22.728 34.790 11.593 1.00 22.86 C ATOM 473 CE2 PHE A 34 24.663 36.249 11.545 1.00 25.99 C ATOM 474 CZ PHE A 34 23.438 35.893 12.101 1.00 25.86 C ATOM 475 HA PHE A 34 24.645 35.197 7.264 1.00 0.00 H ATOM 476 HB2 PHE A 34 24.782 32.607 8.891 1.00 0.00 H ATOM 477 HB3 PHE A 34 26.093 33.800 8.734 1.00 0.00 H ATOM 478 HD2 PHE A 34 26.137 35.783 10.037 1.00 0.00 H ATOM 479 HE2 PHE A 34 25.217 37.101 11.938 1.00 0.00 H ATOM 480 HZ PHE A 34 23.028 36.469 12.931 1.00 0.00 H ATOM 481 HE1 PHE A 34 21.768 34.512 12.028 1.00 0.00 H ATOM 482 HD1 PHE A 34 22.699 33.200 10.152 1.00 0.00 H ATOM 483 H PHE A 34 22.512 33.109 7.611 1.00 0.00 H ATOM 484 N GLU A 35 25.859 33.971 5.498 1.00 17.97 N ATOM 485 CA GLU A 35 26.509 33.256 4.418 1.00 17.78 C ATOM 486 C GLU A 35 27.951 33.067 4.850 1.00 17.61 C ATOM 487 O GLU A 35 28.534 33.950 5.505 1.00 16.88 O ATOM 488 CB GLU A 35 26.410 34.050 3.119 1.00 19.15 C ATOM 489 CG GLU A 35 26.867 33.287 1.891 1.00 19.35 C ATOM 490 CD GLU A 35 26.572 34.040 0.618 1.00 19.93 C ATOM 491 OE1 GLU A 35 25.391 34.380 0.408 1.00 19.29 O ATOM 492 OE2 GLU A 35 27.511 34.292 -0.170 1.00 23.45 O ATOM 493 HA GLU A 35 26.036 32.293 4.225 1.00 0.00 H ATOM 494 HB2 GLU A 35 25.370 34.341 2.974 1.00 0.00 H ATOM 495 HB3 GLU A 35 27.026 34.944 3.216 1.00 0.00 H ATOM 496 HG2 GLU A 35 27.942 33.119 1.960 1.00 0.00 H ATOM 497 HG3 GLU A 35 26.352 32.327 1.860 1.00 0.00 H ATOM 498 H GLU A 35 26.036 34.987 5.629 1.00 0.00 H ATOM 499 N TRP A 36 28.502 31.899 4.515 1.00 15.77 N ATOM 500 CA TRP A 36 29.869 31.536 4.876 1.00 17.38 C ATOM 501 C TRP A 36 30.708 31.151 3.679 1.00 18.01 C ATOM 502 O TRP A 36 30.302 30.291 2.900 1.00 18.74 O ATOM 503 CB TRP A 36 29.842 30.334 5.825 1.00 17.49 C ATOM 504 CG TRP A 36 29.078 30.608 7.047 1.00 19.50 C ATOM 505 CD1 TRP A 36 27.719 30.628 7.173 1.00 18.80 C ATOM 506 CD2 TRP A 36 29.611 30.974 8.314 1.00 20.98 C ATOM 507 NE1 TRP A 36 27.374 30.990 8.453 1.00 21.06 N ATOM 508 CE2 TRP A 36 28.516 31.209 9.171 1.00 21.25 C ATOM 509 CE3 TRP A 36 30.911 31.139 8.813 1.00 20.95 C ATOM 510 CZ2 TRP A 36 28.676 31.600 10.502 1.00 21.92 C ATOM 511 CZ3 TRP A 36 31.069 31.532 10.143 1.00 22.61 C ATOM 512 CH2 TRP A 36 29.955 31.759 10.970 1.00 19.33 C ATOM 513 HA TRP A 36 30.313 32.415 5.343 1.00 0.00 H ATOM 514 HB2 TRP A 36 29.387 29.489 5.308 1.00 0.00 H ATOM 515 HB3 TRP A 36 30.866 30.081 6.100 1.00 0.00 H ATOM 516 HE1 TRP A 36 26.404 31.082 8.816 1.00 0.00 H ATOM 517 HD1 TRP A 36 27.013 30.392 6.377 1.00 0.00 H ATOM 518 HZ2 TRP A 36 27.814 31.773 11.147 1.00 0.00 H ATOM 519 HH2 TRP A 36 30.111 32.068 12.004 1.00 0.00 H ATOM 520 HZ3 TRP A 36 32.073 31.665 10.547 1.00 0.00 H ATOM 521 HE3 TRP A 36 31.779 30.964 8.177 1.00 0.00 H ATOM 522 H TRP A 36 27.933 31.218 3.973 1.00 0.00 H ATOM 523 N HIS A 37 31.865 31.797 3.511 1.00 18.13 N ATOM 524 CA HIS A 37 32.782 31.448 2.429 1.00 17.65 C ATOM 525 C HIS A 37 34.006 30.826 3.091 1.00 17.27 C ATOM 526 O HIS A 37 34.779 31.525 3.749 1.00 18.98 O ATOM 527 CB HIS A 37 33.191 32.717 1.680 1.00 15.67 C ATOM 528 CG HIS A 37 32.052 33.378 0.979 1.00 20.54 C ATOM 529 ND1 HIS A 37 32.198 34.545 0.261 1.00 19.96 N ATOM 530 CD2 HIS A 37 30.741 33.051 0.911 1.00 20.31 C ATOM 531 CE1 HIS A 37 31.025 34.907 -0.219 1.00 18.80 C ATOM 532 NE2 HIS A 37 30.124 34.014 0.158 1.00 21.22 N ATOM 533 HA HIS A 37 32.322 30.762 1.717 1.00 0.00 H ATOM 534 HB2 HIS A 37 33.613 33.422 2.396 1.00 0.00 H ATOM 535 HB3 HIS A 37 33.948 32.455 0.941 1.00 0.00 H ATOM 536 HD2 HIS A 37 30.265 32.184 1.369 1.00 0.00 H ATOM 537 HE1 HIS A 37 30.830 35.792 -0.824 1.00 0.00 H ATOM 538 H HIS A 37 32.118 32.565 4.165 1.00 0.00 H ATOM 539 N ILE A 38 34.158 29.511 2.955 1.00 18.54 N ATOM 540 CA ILE A 38 35.272 28.807 3.567 1.00 18.35 C ATOM 541 C ILE A 38 36.369 28.688 2.509 1.00 19.42 C ATOM 542 O ILE A 38 36.153 28.135 1.423 1.00 21.61 O ATOM 543 CB ILE A 38 34.846 27.405 4.038 1.00 17.90 C ATOM 544 CG1 ILE A 38 33.618 27.491 4.971 1.00 18.33 C ATOM 545 CG2 ILE A 38 36.028 26.732 4.737 1.00 19.86 C ATOM 546 CD1 ILE A 38 33.827 28.273 6.288 1.00 21.20 C ATOM 547 HA ILE A 38 35.625 29.353 4.442 1.00 0.00 H ATOM 548 HB ILE A 38 34.555 26.804 3.176 1.00 0.00 H ATOM 549 HG12 ILE A 38 32.812 27.974 4.419 1.00 0.00 H ATOM 550 HG13 ILE A 38 33.322 26.474 5.229 1.00 0.00 H ATOM 551 HD11 ILE A 38 34.619 27.799 6.868 1.00 0.00 H ATOM 552 HD12 ILE A 38 34.108 29.301 6.058 1.00 0.00 H ATOM 553 HD13 ILE A 38 32.901 28.268 6.863 1.00 0.00 H ATOM 554 HG21 ILE A 38 36.861 26.648 4.039 1.00 0.00 H ATOM 555 HG22 ILE A 38 36.330 27.332 5.595 1.00 0.00 H ATOM 556 HG23 ILE A 38 35.732 25.738 5.073 1.00 0.00 H ATOM 557 H ILE A 38 33.463 28.975 2.398 1.00 0.00 H ATOM 558 N THR A 39 37.548 29.213 2.828 1.00 20.99 N ATOM 559 CA THR A 39 38.647 29.168 1.871 1.00 22.14 C ATOM 560 C THR A 39 39.677 28.089 2.174 1.00 24.46 C ATOM 561 O THR A 39 39.794 27.613 3.281 1.00 23.56 O ATOM 562 CB THR A 39 39.361 30.501 1.834 1.00 22.67 C ATOM 563 OG1 THR A 39 39.929 30.775 3.122 1.00 21.72 O ATOM 564 CG2 THR A 39 38.376 31.594 1.449 1.00 22.94 C ATOM 565 HA THR A 39 38.190 28.933 0.910 1.00 0.00 H ATOM 566 HB THR A 39 40.161 30.470 1.094 1.00 0.00 H ATOM 567 HG1 THR A 39 40.396 31.648 3.097 1.00 0.00 H ATOM 568 HG23 THR A 39 37.953 31.372 0.469 1.00 0.00 H ATOM 569 HG21 THR A 39 37.577 31.638 2.189 1.00 0.00 H ATOM 570 HG22 THR A 39 38.894 32.552 1.414 1.00 0.00 H ATOM 571 H THR A 39 37.686 29.655 3.759 1.00 0.00 H ATOM 572 N LYS A 40 40.416 27.689 1.151 1.00 29.45 N ATOM 573 CA LYS A 40 41.476 26.710 1.340 1.00 35.12 C ATOM 574 C LYS A 40 42.430 27.035 0.216 1.00 39.18 C ATOM 575 O LYS A 40 42.250 26.594 -0.913 1.00 41.60 O ATOM 576 CB LYS A 40 40.953 25.279 1.241 1.00 36.88 C ATOM 577 CG LYS A 40 41.981 24.276 1.748 1.00 38.79 C ATOM 578 CD LYS A 40 41.424 22.884 1.861 1.00 42.97 C ATOM 579 CE LYS A 40 42.460 21.942 2.454 1.00 43.82 C ATOM 580 NZ LYS A 40 41.930 20.543 2.506 1.00 48.25 N ATOM 581 HA LYS A 40 41.937 26.762 2.326 1.00 0.00 H ATOM 582 HB2 LYS A 40 40.046 25.190 1.839 1.00 0.00 H ATOM 583 HB3 LYS A 40 40.723 25.056 0.199 1.00 0.00 H ATOM 584 HG2 LYS A 40 42.824 24.260 1.057 1.00 0.00 H ATOM 585 HG3 LYS A 40 42.325 24.595 2.732 1.00 0.00 H ATOM 586 HD2 LYS A 40 40.544 22.901 2.504 1.00 0.00 H ATOM 587 HD3 LYS A 40 41.141 22.529 0.870 1.00 0.00 H ATOM 588 HE2 LYS A 40 42.707 22.270 3.464 1.00 0.00 H ATOM 589 HE3 LYS A 40 43.358 21.963 1.837 1.00 0.00 H ATOM 590 HZ1 LYS A 40 41.074 20.519 3.097 1.00 0.00 H ATOM 591 HZ2 LYS A 40 41.697 20.226 1.543 1.00 0.00 H ATOM 592 HZ3 LYS A 40 42.652 19.915 2.914 1.00 0.00 H ATOM 593 H LYS A 40 40.237 28.078 0.203 1.00 0.00 H ATOM 594 N GLY A 41 43.409 27.874 0.540 1.00 42.37 N ATOM 595 CA GLY A 41 44.391 28.330 -0.429 1.00 43.39 C ATOM 596 C GLY A 41 44.023 29.753 -0.813 1.00 44.90 C ATOM 597 O GLY A 41 44.368 30.227 -1.902 1.00 45.25 O ATOM 598 HA3 GLY A 41 44.371 27.689 -1.310 1.00 0.00 H ATOM 599 HA2 GLY A 41 45.388 28.309 0.012 1.00 0.00 H ATOM 600 H GLY A 41 43.474 28.216 1.520 1.00 0.00 H ATOM 601 N GLY A 42 43.320 30.435 0.095 1.00 43.64 N ATOM 602 CA GLY A 42 42.863 31.790 -0.169 1.00 44.07 C ATOM 603 C GLY A 42 41.693 31.709 -1.130 1.00 42.03 C ATOM 604 O GLY A 42 40.943 32.676 -1.321 1.00 44.12 O ATOM 605 HA3 GLY A 42 43.669 32.373 -0.615 1.00 0.00 H ATOM 606 HA2 GLY A 42 42.547 32.262 0.761 1.00 0.00 H ATOM 607 H GLY A 42 43.095 29.989 1.007 1.00 0.00 H ATOM 608 N ASN A 43 41.547 30.521 -1.723 1.00 41.11 N ATOM 609 CA ASN A 43 40.494 30.204 -2.695 1.00 37.19 C ATOM 610 C ASN A 43 39.266 29.583 -2.024 1.00 33.18 C ATOM 611 O ASN A 43 39.388 28.728 -1.152 1.00 30.69 O ATOM 612 CB ASN A 43 41.049 29.239 -3.733 1.00 37.70 C ATOM 613 CG ASN A 43 39.977 28.695 -4.661 1.00 39.03 C ATOM 614 OD1 ASN A 43 39.295 29.452 -5.352 1.00 38.48 O ATOM 615 ND2 ASN A 43 39.825 27.377 -4.679 1.00 38.48 N ATOM 616 HA ASN A 43 40.178 31.134 -3.168 1.00 0.00 H ATOM 617 HB2 ASN A 43 41.796 29.761 -4.331 1.00 0.00 H ATOM 618 HB3 ASN A 43 41.520 28.403 -3.216 1.00 0.00 H ATOM 619 HD22 ASN A 43 40.424 26.776 -4.078 1.00 0.00 H ATOM 620 HD21 ASN A 43 39.107 26.945 -5.294 1.00 0.00 H ATOM 621 H ASN A 43 42.225 29.771 -1.480 1.00 0.00 H ATOM 622 N ILE A 44 38.083 29.995 -2.456 1.00 30.00 N ATOM 623 CA ILE A 44 36.865 29.486 -1.833 1.00 27.76 C ATOM 624 C ILE A 44 36.674 28.001 -2.124 1.00 28.80 C ATOM 625 O ILE A 44 36.637 27.597 -3.295 1.00 28.56 O ATOM 626 CB ILE A 44 35.650 30.304 -2.310 1.00 26.02 C ATOM 627 CG1 ILE A 44 35.812 31.752 -1.837 1.00 25.32 C ATOM 628 CG2 ILE A 44 34.356 29.697 -1.753 1.00 24.86 C ATOM 629 CD1 ILE A 44 34.650 32.682 -2.194 1.00 24.22 C ATOM 630 HA ILE A 44 36.958 29.595 -0.752 1.00 0.00 H ATOM 631 HB ILE A 44 35.594 30.283 -3.398 1.00 0.00 H ATOM 632 HG12 ILE A 44 35.918 31.744 -0.752 1.00 0.00 H ATOM 633 HG13 ILE A 44 36.719 32.156 -2.287 1.00 0.00 H ATOM 634 HD11 ILE A 44 34.534 32.717 -3.277 1.00 0.00 H ATOM 635 HD12 ILE A 44 33.733 32.305 -1.741 1.00 0.00 H ATOM 636 HD13 ILE A 44 34.858 33.683 -1.817 1.00 0.00 H ATOM 637 HG21 ILE A 44 34.257 28.670 -2.104 1.00 0.00 H ATOM 638 HG22 ILE A 44 34.391 29.708 -0.664 1.00 0.00 H ATOM 639 HG23 ILE A 44 33.504 30.283 -2.097 1.00 0.00 H ATOM 640 H ILE A 44 38.022 30.679 -3.237 1.00 0.00 H ATOM 641 N GLY A 45 36.587 27.200 -1.056 1.00 25.41 N ATOM 642 CA GLY A 45 36.415 25.767 -1.183 1.00 26.39 C ATOM 643 C GLY A 45 34.963 25.365 -0.996 1.00 25.64 C ATOM 644 O GLY A 45 34.521 24.330 -1.491 1.00 24.63 O ATOM 645 HA3 GLY A 45 37.022 25.268 -0.427 1.00 0.00 H ATOM 646 HA2 GLY A 45 36.745 25.456 -2.174 1.00 0.00 H ATOM 647 H GLY A 45 36.645 27.619 -0.106 1.00 0.00 H ATOM 648 N ALA A 46 34.218 26.189 -0.268 1.00 23.99 N ATOM 649 CA ALA A 46 32.809 25.927 -0.050 1.00 23.62 C ATOM 650 C ALA A 46 32.085 27.175 0.411 1.00 20.61 C ATOM 651 O ALA A 46 32.678 28.088 0.983 1.00 20.54 O ATOM 652 CB ALA A 46 32.632 24.850 1.007 1.00 23.62 C ATOM 653 HA ALA A 46 32.387 25.596 -0.999 1.00 0.00 H ATOM 654 HB1 ALA A 46 33.118 23.933 0.675 1.00 0.00 H ATOM 655 HB2 ALA A 46 33.082 25.183 1.942 1.00 0.00 H ATOM 656 HB3 ALA A 46 31.569 24.664 1.160 1.00 0.00 H ATOM 657 H ALA A 46 34.652 27.035 0.152 1.00 0.00 H ATOM 658 N LYS A 47 30.797 27.205 0.110 1.00 21.58 N ATOM 659 CA LYS A 47 29.921 28.272 0.585 1.00 20.27 C ATOM 660 C LYS A 47 28.743 27.602 1.292 1.00 20.55 C ATOM 661 O LYS A 47 28.240 26.555 0.838 1.00 21.07 O ATOM 662 CB LYS A 47 29.381 29.145 -0.554 1.00 20.05 C ATOM 663 CG LYS A 47 30.420 30.077 -1.168 1.00 21.54 C ATOM 664 CD LYS A 47 29.753 31.058 -2.145 1.00 20.65 C ATOM 665 CE LYS A 47 30.780 31.965 -2.768 1.00 23.52 C ATOM 666 NZ LYS A 47 30.126 32.899 -3.714 1.00 25.26 N ATOM 667 HA LYS A 47 30.491 28.926 1.245 1.00 0.00 H ATOM 668 HB2 LYS A 47 29.002 28.490 -1.338 1.00 0.00 H ATOM 669 HB3 LYS A 47 28.564 29.752 -0.163 1.00 0.00 H ATOM 670 HG2 LYS A 47 30.911 30.639 -0.374 1.00 0.00 H ATOM 671 HG3 LYS A 47 31.161 29.485 -1.704 1.00 0.00 H ATOM 672 HD2 LYS A 47 29.248 30.495 -2.930 1.00 0.00 H ATOM 673 HD3 LYS A 47 29.023 31.661 -1.605 1.00 0.00 H ATOM 674 HE2 LYS A 47 31.515 31.364 -3.304 1.00 0.00 H ATOM 675 HE3 LYS A 47 31.280 32.535 -1.985 1.00 0.00 H ATOM 676 HZ1 LYS A 47 29.650 32.356 -4.462 1.00 0.00 H ATOM 677 HZ2 LYS A 47 29.426 33.474 -3.203 1.00 0.00 H ATOM 678 HZ3 LYS A 47 30.844 33.520 -4.138 1.00 0.00 H ATOM 679 H LYS A 47 30.398 26.448 -0.481 1.00 0.00 H ATOM 680 N TRP A 48 28.312 28.206 2.400 1.00 19.43 N ATOM 681 CA TRP A 48 27.181 27.724 3.161 1.00 19.22 C ATOM 682 C TRP A 48 26.312 28.879 3.594 1.00 19.93 C ATOM 683 O TRP A 48 26.791 30.001 3.742 1.00 19.82 O ATOM 684 CB TRP A 48 27.626 27.037 4.460 1.00 18.15 C ATOM 685 CG TRP A 48 28.396 25.783 4.239 1.00 17.86 C ATOM 686 CD1 TRP A 48 29.739 25.662 4.048 1.00 19.98 C ATOM 687 CD2 TRP A 48 27.861 24.453 4.215 1.00 20.22 C ATOM 688 NE1 TRP A 48 30.083 24.323 3.919 1.00 20.30 N ATOM 689 CE2 TRP A 48 28.946 23.567 4.019 1.00 21.04 C ATOM 690 CE3 TRP A 48 26.568 23.927 4.341 1.00 21.69 C ATOM 691 CZ2 TRP A 48 28.776 22.169 3.952 1.00 23.63 C ATOM 692 CZ3 TRP A 48 26.401 22.533 4.272 1.00 25.18 C ATOM 693 CH2 TRP A 48 27.496 21.680 4.081 1.00 24.59 C ATOM 694 HA TRP A 48 26.650 27.027 2.512 1.00 0.00 H ATOM 695 HB2 TRP A 48 28.252 27.732 5.020 1.00 0.00 H ATOM 696 HB3 TRP A 48 26.738 26.798 5.045 1.00 0.00 H ATOM 697 HE1 TRP A 48 31.045 23.955 3.771 1.00 0.00 H ATOM 698 HD1 TRP A 48 30.441 26.495 4.003 1.00 0.00 H ATOM 699 HZ2 TRP A 48 29.625 21.502 3.804 1.00 0.00 H ATOM 700 HH2 TRP A 48 27.330 20.604 4.033 1.00 0.00 H ATOM 701 HZ3 TRP A 48 25.402 22.108 4.369 1.00 0.00 H ATOM 702 HE3 TRP A 48 25.711 24.584 4.489 1.00 0.00 H ATOM 703 H TRP A 48 28.809 29.058 2.730 1.00 0.00 H ATOM 704 N THR A 49 25.038 28.577 3.821 1.00 18.34 N ATOM 705 CA THR A 49 24.115 29.557 4.321 1.00 18.01 C ATOM 706 C THR A 49 23.429 28.939 5.520 1.00 18.41 C ATOM 707 O THR A 49 23.023 27.780 5.487 1.00 18.73 O ATOM 708 CB THR A 49 23.068 29.950 3.261 1.00 18.80 C ATOM 709 OG1 THR A 49 23.745 30.590 2.169 1.00 19.46 O ATOM 710 CG2 THR A 49 22.012 30.907 3.838 1.00 17.76 C ATOM 711 HA THR A 49 24.650 30.469 4.587 1.00 0.00 H ATOM 712 HB THR A 49 22.554 29.049 2.926 1.00 0.00 H ATOM 713 HG1 THR A 49 24.404 29.963 1.778 1.00 0.00 H ATOM 714 HG23 THR A 49 21.498 30.421 4.667 1.00 0.00 H ATOM 715 HG21 THR A 49 22.501 31.814 4.193 1.00 0.00 H ATOM 716 HG22 THR A 49 21.291 31.162 3.061 1.00 0.00 H ATOM 717 H THR A 49 24.702 27.611 3.633 1.00 0.00 H ATOM 718 N ILE A 50 23.368 29.711 6.593 1.00 18.77 N ATOM 719 CA ILE A 50 22.650 29.323 7.803 1.00 20.12 C ATOM 720 C ILE A 50 21.501 30.327 7.835 1.00 21.27 C ATOM 721 O ILE A 50 21.685 31.503 8.165 1.00 21.60 O ATOM 722 CB ILE A 50 23.507 29.461 9.082 1.00 20.91 C ATOM 723 CG1 ILE A 50 24.679 28.487 9.017 1.00 19.39 C ATOM 724 CG2 ILE A 50 22.678 29.093 10.326 1.00 24.71 C ATOM 725 CD1 ILE A 50 25.579 28.554 10.244 1.00 20.25 C ATOM 726 HA ILE A 50 22.347 28.276 7.783 1.00 0.00 H ATOM 727 HB ILE A 50 23.853 30.492 9.148 1.00 0.00 H ATOM 728 HG12 ILE A 50 24.285 27.474 8.930 1.00 0.00 H ATOM 729 HG13 ILE A 50 25.276 28.720 8.135 1.00 0.00 H ATOM 730 HD11 ILE A 50 25.989 29.560 10.338 1.00 0.00 H ATOM 731 HD12 ILE A 50 24.997 28.313 11.134 1.00 0.00 H ATOM 732 HD13 ILE A 50 26.393 27.837 10.136 1.00 0.00 H ATOM 733 HG21 ILE A 50 21.820 29.761 10.399 1.00 0.00 H ATOM 734 HG22 ILE A 50 22.332 28.063 10.239 1.00 0.00 H ATOM 735 HG23 ILE A 50 23.297 29.196 11.217 1.00 0.00 H ATOM 736 H ILE A 50 23.851 30.632 6.573 1.00 0.00 H ATOM 737 N ASP A 51 20.316 29.863 7.443 1.00 22.30 N ATOM 738 CA ASP A 51 19.154 30.719 7.427 1.00 27.25 C ATOM 739 C ASP A 51 18.433 30.552 8.763 1.00 30.03 C ATOM 740 O ASP A 51 17.957 29.470 9.093 1.00 32.35 O ATOM 741 CB ASP A 51 18.220 30.348 6.280 1.00 29.55 C ATOM 742 CG ASP A 51 16.978 31.240 6.229 1.00 32.57 C ATOM 743 OD1 ASP A 51 16.410 31.540 7.301 1.00 35.03 O ATOM 744 OD2 ASP A 51 16.570 31.630 5.127 1.00 33.13 O ATOM 745 HA ASP A 51 19.460 31.755 7.281 1.00 0.00 H ATOM 746 HB2 ASP A 51 18.762 30.448 5.340 1.00 0.00 H ATOM 747 HB3 ASP A 51 17.903 29.313 6.407 1.00 0.00 H ATOM 748 H ASP A 51 20.227 28.871 7.144 1.00 0.00 H ATOM 749 N LEU A 52 18.385 31.621 9.541 1.00 31.64 N ATOM 750 CA LEU A 52 17.694 31.590 10.832 1.00 33.01 C ATOM 751 C LEU A 52 16.651 32.697 10.798 1.00 35.31 C ATOM 752 O LEU A 52 16.461 33.431 11.760 1.00 36.01 O ATOM 753 CB LEU A 52 18.690 31.811 11.957 1.00 33.03 C ATOM 754 CG LEU A 52 19.730 30.684 12.007 1.00 32.46 C ATOM 755 CD1 LEU A 52 20.827 30.995 13.014 1.00 30.89 C ATOM 756 CD2 LEU A 52 19.012 29.378 12.357 1.00 33.38 C ATOM 757 HA LEU A 52 17.217 30.626 11.008 1.00 0.00 H ATOM 758 HB2 LEU A 52 19.201 32.760 11.798 1.00 0.00 H ATOM 759 HB3 LEU A 52 18.154 31.843 12.906 1.00 0.00 H ATOM 760 HG LEU A 52 20.213 30.587 11.034 1.00 0.00 H ATOM 761 HD21 LEU A 52 18.526 29.481 13.327 1.00 0.00 H ATOM 762 HD22 LEU A 52 18.263 29.161 11.595 1.00 0.00 H ATOM 763 HD23 LEU A 52 19.737 28.565 12.397 1.00 0.00 H ATOM 764 HD11 LEU A 52 21.328 31.920 12.729 1.00 0.00 H ATOM 765 HD12 LEU A 52 20.387 31.109 14.005 1.00 0.00 H ATOM 766 HD13 LEU A 52 21.549 30.178 13.027 1.00 0.00 H ATOM 767 H LEU A 52 18.846 32.500 9.230 1.00 0.00 H ATOM 768 N LYS A 53 15.975 32.783 9.664 1.00 38.53 N ATOM 769 CA LYS A 53 14.960 33.792 9.408 1.00 41.79 C ATOM 770 C LYS A 53 13.541 33.262 9.627 1.00 40.88 C ATOM 771 O LYS A 53 12.709 33.940 10.216 1.00 42.43 O ATOM 772 CB LYS A 53 15.138 34.307 7.967 1.00 44.03 C ATOM 773 CG LYS A 53 14.429 35.600 7.656 1.00 46.91 C ATOM 774 CD LYS A 53 14.984 36.727 8.487 1.00 48.48 C ATOM 775 CE LYS A 53 14.322 38.043 8.104 1.00 50.97 C ATOM 776 NZ LYS A 53 14.922 39.171 8.866 1.00 51.73 N ATOM 777 HA LYS A 53 15.091 34.607 10.120 1.00 0.00 H ATOM 778 HB2 LYS A 53 16.203 34.455 7.791 1.00 0.00 H ATOM 779 HB3 LYS A 53 14.761 33.543 7.287 1.00 0.00 H ATOM 780 HG2 LYS A 53 14.561 35.835 6.600 1.00 0.00 H ATOM 781 HG3 LYS A 53 13.367 35.486 7.871 1.00 0.00 H ATOM 782 HD2 LYS A 53 14.796 36.523 9.541 1.00 0.00 H ATOM 783 HD3 LYS A 53 16.058 36.803 8.319 1.00 0.00 H ATOM 784 HE2 LYS A 53 13.256 37.987 8.326 1.00 0.00 H ATOM 785 HE3 LYS A 53 14.461 38.217 7.037 1.00 0.00 H ATOM 786 HZ1 LYS A 53 14.788 39.009 9.885 1.00 0.00 H ATOM 787 HZ2 LYS A 53 15.938 39.230 8.653 1.00 0.00 H ATOM 788 HZ3 LYS A 53 14.457 40.060 8.591 1.00 0.00 H ATOM 789 H LYS A 53 16.181 32.091 8.915 1.00 0.00 H ATOM 790 N SER A 54 13.237 32.059 9.158 1.00 41.93 N ATOM 791 CA SER A 54 11.890 31.548 9.391 1.00 41.70 C ATOM 792 C SER A 54 11.825 30.043 9.558 1.00 40.62 C ATOM 793 O SER A 54 12.756 29.319 9.178 1.00 39.93 O ATOM 794 CB SER A 54 10.939 31.982 8.261 1.00 45.34 C ATOM 795 OG SER A 54 9.585 31.962 8.696 1.00 45.12 O ATOM 796 HA SER A 54 11.573 31.984 10.338 1.00 0.00 H ATOM 797 HB2 SER A 54 11.053 31.300 7.418 1.00 0.00 H ATOM 798 HB3 SER A 54 11.197 32.993 7.946 1.00 0.00 H ATOM 799 HG SER A 54 8.996 32.245 7.952 1.00 0.00 H ATOM 800 H SER A 54 13.940 31.495 8.638 1.00 0.00 H ATOM 801 N GLY A 55 10.715 29.588 10.133 1.00 38.18 N ATOM 802 CA GLY A 55 10.498 28.174 10.351 1.00 36.82 C ATOM 803 C GLY A 55 11.469 27.677 11.390 1.00 34.90 C ATOM 804 O GLY A 55 11.745 28.372 12.364 1.00 34.60 O ATOM 805 HA3 GLY A 55 10.654 27.633 9.418 1.00 0.00 H ATOM 806 HA2 GLY A 55 9.478 28.011 10.698 1.00 0.00 H ATOM 807 H GLY A 55 9.985 30.265 10.433 1.00 0.00 H ATOM 808 N SER A 56 11.989 26.474 11.188 1.00 34.29 N ATOM 809 CA SER A 56 12.955 25.917 12.122 1.00 34.13 C ATOM 810 C SER A 56 14.384 26.242 11.642 1.00 33.06 C ATOM 811 O SER A 56 15.355 25.719 12.171 1.00 30.00 O ATOM 812 CB SER A 56 12.760 24.403 12.232 1.00 35.04 C ATOM 813 OG SER A 56 12.655 23.823 10.936 1.00 39.38 O ATOM 814 HA SER A 56 12.804 26.359 13.107 1.00 0.00 H ATOM 815 HB2 SER A 56 11.849 24.197 12.793 1.00 0.00 H ATOM 816 HB3 SER A 56 13.612 23.967 12.753 1.00 0.00 H ATOM 817 HG SER A 56 12.529 22.845 11.023 1.00 0.00 H ATOM 818 H SER A 56 11.703 25.923 10.353 1.00 0.00 H ATOM 819 N GLY A 57 14.504 27.110 10.640 1.00 31.18 N ATOM 820 CA GLY A 57 15.832 27.447 10.152 1.00 30.84 C ATOM 821 C GLY A 57 16.309 26.423 9.146 1.00 30.72 C ATOM 822 O GLY A 57 15.725 25.347 9.025 1.00 28.30 O ATOM 823 HA3 GLY A 57 16.526 27.474 10.992 1.00 0.00 H ATOM 824 HA2 GLY A 57 15.801 28.428 9.677 1.00 0.00 H ATOM 825 H GLY A 57 13.660 27.541 10.212 1.00 0.00 H ATOM 826 N LYS A 58 17.368 26.751 8.413 1.00 27.98 N ATOM 827 CA LYS A 58 17.892 25.835 7.428 1.00 29.14 C ATOM 828 C LYS A 58 19.387 26.045 7.213 1.00 27.44 C ATOM 829 O LYS A 58 19.889 27.161 7.318 1.00 25.90 O ATOM 830 CB LYS A 58 17.164 26.022 6.080 1.00 31.60 C ATOM 831 CG LYS A 58 17.606 25.015 5.017 1.00 35.58 C ATOM 832 CD LYS A 58 16.880 25.168 3.687 1.00 40.30 C ATOM 833 CE LYS A 58 17.447 24.172 2.676 1.00 41.74 C ATOM 834 NZ LYS A 58 16.967 24.372 1.280 1.00 42.95 N ATOM 835 HA LYS A 58 17.727 24.825 7.803 1.00 0.00 H ATOM 836 HB2 LYS A 58 16.093 25.906 6.244 1.00 0.00 H ATOM 837 HB3 LYS A 58 17.367 27.028 5.712 1.00 0.00 H ATOM 838 HG2 LYS A 58 18.674 25.145 4.843 1.00 0.00 H ATOM 839 HG3 LYS A 58 17.421 24.010 5.397 1.00 0.00 H ATOM 840 HD2 LYS A 58 15.817 24.975 3.829 1.00 0.00 H ATOM 841 HD3 LYS A 58 17.017 26.183 3.313 1.00 0.00 H ATOM 842 HE2 LYS A 58 17.167 23.167 2.993 1.00 0.00 H ATOM 843 HE3 LYS A 58 18.533 24.263 2.680 1.00 0.00 H ATOM 844 HZ1 LYS A 58 15.932 24.276 1.254 1.00 0.00 H ATOM 845 HZ2 LYS A 58 17.237 25.322 0.955 1.00 0.00 H ATOM 846 HZ3 LYS A 58 17.399 23.657 0.661 1.00 0.00 H ATOM 847 H LYS A 58 17.823 27.676 8.550 1.00 0.00 H ATOM 848 N VAL A 59 20.100 24.957 6.957 1.00 26.40 N ATOM 849 CA VAL A 59 21.514 25.075 6.637 1.00 24.44 C ATOM 850 C VAL A 59 21.569 24.463 5.237 1.00 24.96 C ATOM 851 O VAL A 59 21.022 23.379 5.011 1.00 25.66 O ATOM 852 CB VAL A 59 22.411 24.266 7.595 1.00 24.43 C ATOM 853 CG1 VAL A 59 23.843 24.228 7.036 1.00 27.06 C ATOM 854 CG2 VAL A 59 22.395 24.899 8.990 1.00 25.85 C ATOM 855 HA VAL A 59 21.875 26.101 6.713 1.00 0.00 H ATOM 856 HB VAL A 59 22.033 23.247 7.678 1.00 0.00 H ATOM 857 HG11 VAL A 59 23.836 23.755 6.054 1.00 0.00 H ATOM 858 HG12 VAL A 59 24.225 25.245 6.948 1.00 0.00 H ATOM 859 HG13 VAL A 59 24.480 23.657 7.711 1.00 0.00 H ATOM 860 HG21 VAL A 59 22.767 25.922 8.928 1.00 0.00 H ATOM 861 HG22 VAL A 59 21.375 24.905 9.373 1.00 0.00 H ATOM 862 HG23 VAL A 59 23.032 24.319 9.658 1.00 0.00 H ATOM 863 H VAL A 59 19.649 24.020 6.985 1.00 0.00 H ATOM 864 N TYR A 60 22.155 25.175 4.278 1.00 22.04 N ATOM 865 CA TYR A 60 22.269 24.630 2.934 1.00 22.78 C ATOM 866 C TYR A 60 23.524 25.090 2.254 1.00 22.90 C ATOM 867 O TYR A 60 24.110 26.118 2.623 1.00 21.09 O ATOM 868 CB TYR A 60 21.037 24.956 2.070 1.00 22.24 C ATOM 869 CG TYR A 60 20.658 26.416 1.944 1.00 23.05 C ATOM 870 CD1 TYR A 60 21.279 27.256 1.012 1.00 20.92 C ATOM 871 CD2 TYR A 60 19.664 26.965 2.760 1.00 21.79 C ATOM 872 CE1 TYR A 60 20.907 28.620 0.913 1.00 20.98 C ATOM 873 CE2 TYR A 60 19.293 28.315 2.662 1.00 23.55 C ATOM 874 CZ TYR A 60 19.918 29.131 1.746 1.00 24.57 C ATOM 875 OH TYR A 60 19.554 30.467 1.671 1.00 23.42 O ATOM 876 HA TYR A 60 22.320 23.547 3.044 1.00 0.00 H ATOM 877 HB3 TYR A 60 20.184 24.430 2.499 1.00 0.00 H ATOM 878 HB2 TYR A 60 21.228 24.577 1.066 1.00 0.00 H ATOM 879 HD2 TYR A 60 19.165 26.328 3.491 1.00 0.00 H ATOM 880 HE2 TYR A 60 18.513 28.716 3.309 1.00 0.00 H ATOM 881 HE1 TYR A 60 21.396 29.267 0.185 1.00 0.00 H ATOM 882 HD1 TYR A 60 22.054 26.858 0.358 1.00 0.00 H ATOM 883 HH TYR A 60 19.720 30.903 2.544 1.00 0.00 H ATOM 884 H TYR A 60 22.532 26.121 4.489 1.00 0.00 H ATOM 885 N GLN A 61 23.953 24.314 1.267 1.00 23.39 N ATOM 886 CA GLN A 61 25.156 24.647 0.528 1.00 25.33 C ATOM 887 C GLN A 61 24.924 25.765 -0.467 1.00 24.45 C ATOM 888 O GLN A 61 23.828 25.944 -0.982 1.00 25.77 O ATOM 889 CB GLN A 61 25.681 23.418 -0.192 1.00 27.62 C ATOM 890 CG GLN A 61 25.967 22.266 0.757 1.00 31.31 C ATOM 891 CD GLN A 61 26.671 21.106 0.071 1.00 36.56 C ATOM 892 OE1 GLN A 61 26.205 20.592 -0.949 1.00 39.45 O ATOM 893 NE2 GLN A 61 27.800 20.685 0.637 1.00 38.74 N ATOM 894 HA GLN A 61 25.895 24.996 1.249 1.00 0.00 H ATOM 895 HB2 GLN A 61 24.937 23.095 -0.921 1.00 0.00 H ATOM 896 HB3 GLN A 61 26.603 23.683 -0.709 1.00 0.00 H ATOM 897 HG2 GLN A 61 26.600 22.629 1.567 1.00 0.00 H ATOM 898 HG3 GLN A 61 25.023 21.908 1.167 1.00 0.00 H ATOM 899 HE22 GLN A 61 28.155 21.149 1.497 1.00 0.00 H ATOM 900 HE21 GLN A 61 28.327 19.892 0.219 1.00 0.00 H ATOM 901 H GLN A 61 23.420 23.456 1.020 1.00 0.00 H ATOM 902 N GLY A 62 25.986 26.520 -0.705 1.00 23.31 N ATOM 903 CA GLY A 62 25.937 27.625 -1.625 1.00 22.39 C ATOM 904 C GLY A 62 25.540 28.954 -1.017 1.00 22.52 C ATOM 905 O GLY A 62 25.286 29.075 0.184 1.00 20.20 O ATOM 906 HA3 GLY A 62 25.216 27.382 -2.406 1.00 0.00 H ATOM 907 HA2 GLY A 62 26.926 27.739 -2.068 1.00 0.00 H ATOM 908 H GLY A 62 26.878 26.309 -0.214 1.00 0.00 H ATOM 909 N PRO A 63 25.455 29.984 -1.865 1.00 21.18 N ATOM 910 CA PRO A 63 25.080 31.336 -1.443 1.00 22.54 C ATOM 911 C PRO A 63 23.620 31.421 -0.995 1.00 21.77 C ATOM 912 O PRO A 63 22.776 30.589 -1.370 1.00 21.55 O ATOM 913 CB PRO A 63 25.373 32.175 -2.684 1.00 22.89 C ATOM 914 CG PRO A 63 25.125 31.216 -3.792 1.00 25.56 C ATOM 915 CD PRO A 63 25.694 29.916 -3.315 1.00 23.85 C ATOM 916 HA PRO A 63 25.629 31.680 -0.567 1.00 0.00 H ATOM 917 HD3 PRO A 63 25.174 29.069 -3.762 1.00 0.00 H ATOM 918 HD2 PRO A 63 26.759 29.845 -3.537 1.00 0.00 H ATOM 919 HG3 PRO A 63 25.628 31.543 -4.702 1.00 0.00 H ATOM 920 HG2 PRO A 63 24.056 31.119 -3.983 1.00 0.00 H ATOM 921 HB2 PRO A 63 24.702 33.032 -2.747 1.00 0.00 H ATOM 922 HB3 PRO A 63 26.406 32.523 -2.689 1.00 0.00 H ATOM 923 N ALA A 64 23.331 32.422 -0.181 1.00 21.40 N ATOM 924 CA ALA A 64 21.985 32.603 0.334 1.00 20.79 C ATOM 925 C ALA A 64 20.981 32.745 -0.832 1.00 20.63 C ATOM 926 O ALA A 64 21.285 33.359 -1.856 1.00 21.25 O ATOM 927 CB ALA A 64 21.952 33.832 1.209 1.00 19.84 C ATOM 928 HA ALA A 64 21.701 31.732 0.924 1.00 0.00 H ATOM 929 HB1 ALA A 64 22.648 33.705 2.038 1.00 0.00 H ATOM 930 HB2 ALA A 64 22.240 34.703 0.621 1.00 0.00 H ATOM 931 HB3 ALA A 64 20.944 33.972 1.598 1.00 0.00 H ATOM 932 H ALA A 64 24.079 33.090 0.095 1.00 0.00 H ATOM 933 N LYS A 65 19.805 32.148 -0.681 1.00 21.43 N ATOM 934 CA LYS A 65 18.777 32.248 -1.706 1.00 23.32 C ATOM 935 C LYS A 65 18.327 33.695 -1.863 1.00 23.40 C ATOM 936 O LYS A 65 18.024 34.126 -2.978 1.00 23.67 O ATOM 937 CB LYS A 65 17.595 31.352 -1.361 1.00 25.64 C ATOM 938 CG LYS A 65 17.918 29.860 -1.495 1.00 29.03 C ATOM 939 CD LYS A 65 16.878 29.046 -0.766 1.00 34.59 C ATOM 940 CE LYS A 65 17.199 27.565 -0.783 1.00 38.69 C ATOM 941 NZ LYS A 65 16.528 26.895 0.370 1.00 42.47 N ATOM 942 HA LYS A 65 19.195 31.913 -2.655 1.00 0.00 H ATOM 943 HB2 LYS A 65 17.295 31.552 -0.332 1.00 0.00 H ATOM 944 HB3 LYS A 65 16.770 31.591 -2.032 1.00 0.00 H ATOM 945 HG2 LYS A 65 17.921 29.583 -2.549 1.00 0.00 H ATOM 946 HG3 LYS A 65 18.900 29.662 -1.065 1.00 0.00 H ATOM 947 HD2 LYS A 65 16.829 29.384 0.269 1.00 0.00 H ATOM 948 HD3 LYS A 65 15.911 29.202 -1.244 1.00 0.00 H ATOM 949 HE2 LYS A 65 18.277 27.426 -0.706 1.00 0.00 H ATOM 950 HE3 LYS A 65 16.843 27.127 -1.715 1.00 0.00 H ATOM 951 HZ1 LYS A 65 16.869 27.313 1.259 1.00 0.00 H ATOM 952 HZ2 LYS A 65 15.499 27.027 0.296 1.00 0.00 H ATOM 953 HZ3 LYS A 65 16.750 25.879 0.356 1.00 0.00 H ATOM 954 H LYS A 65 19.616 31.601 0.183 1.00 0.00 H ATOM 955 N GLY A 66 18.283 34.423 -0.752 1.00 22.33 N ATOM 956 CA GLY A 66 17.931 35.839 -0.765 1.00 21.48 C ATOM 957 C GLY A 66 19.162 36.598 -0.301 1.00 22.02 C ATOM 958 O GLY A 66 20.276 36.092 -0.403 1.00 20.67 O ATOM 959 HA3 GLY A 66 17.097 36.025 -0.088 1.00 0.00 H ATOM 960 HA2 GLY A 66 17.656 36.149 -1.773 1.00 0.00 H ATOM 961 H GLY A 66 18.507 33.969 0.156 1.00 0.00 H ATOM 962 N ALA A 67 18.982 37.811 0.212 1.00 21.69 N ATOM 963 CA ALA A 67 20.117 38.576 0.697 1.00 20.79 C ATOM 964 C ALA A 67 20.641 37.973 2.003 1.00 22.29 C ATOM 965 O ALA A 67 19.877 37.435 2.811 1.00 24.30 O ATOM 966 CB ALA A 67 19.704 40.006 0.933 1.00 23.10 C ATOM 967 HA ALA A 67 20.908 38.545 -0.052 1.00 0.00 H ATOM 968 HB1 ALA A 67 19.349 40.439 -0.002 1.00 0.00 H ATOM 969 HB2 ALA A 67 18.905 40.035 1.674 1.00 0.00 H ATOM 970 HB3 ALA A 67 20.560 40.575 1.297 1.00 0.00 H ATOM 971 H ALA A 67 18.025 38.214 0.266 1.00 0.00 H ATOM 972 N ALA A 68 21.942 38.022 2.211 1.00 19.69 N ATOM 973 CA ALA A 68 22.477 37.515 3.478 1.00 19.81 C ATOM 974 C ALA A 68 22.682 38.730 4.355 1.00 19.57 C ATOM 975 O ALA A 68 23.117 39.784 3.866 1.00 21.48 O ATOM 976 CB ALA A 68 23.810 36.800 3.252 1.00 23.63 C ATOM 977 HA ALA A 68 21.798 36.795 3.935 1.00 0.00 H ATOM 978 HB1 ALA A 68 23.661 35.962 2.571 1.00 0.00 H ATOM 979 HB2 ALA A 68 24.527 37.498 2.820 1.00 0.00 H ATOM 980 HB3 ALA A 68 24.189 36.432 4.205 1.00 0.00 H ATOM 981 H ALA A 68 22.578 38.414 1.488 1.00 0.00 H ATOM 982 N ASP A 69 22.330 38.634 5.636 1.00 19.54 N ATOM 983 CA ASP A 69 22.549 39.758 6.550 1.00 19.89 C ATOM 984 C ASP A 69 24.034 39.988 6.826 1.00 20.71 C ATOM 985 O ASP A 69 24.488 41.122 6.944 1.00 20.79 O ATOM 986 CB ASP A 69 21.826 39.513 7.869 1.00 22.84 C ATOM 987 CG ASP A 69 20.334 39.552 7.712 1.00 26.80 C ATOM 988 OD1 ASP A 69 19.695 38.499 7.538 1.00 25.74 O ATOM 989 OD2 ASP A 69 19.792 40.674 7.736 1.00 32.34 O ATOM 990 HA ASP A 69 22.150 40.649 6.066 1.00 0.00 H ATOM 991 HB2 ASP A 69 22.114 38.534 8.251 1.00 0.00 H ATOM 992 HB3 ASP A 69 22.125 40.282 8.582 1.00 0.00 H ATOM 993 H ASP A 69 21.897 37.757 5.989 1.00 0.00 H ATOM 994 N THR A 70 24.787 38.902 6.937 1.00 20.50 N ATOM 995 CA THR A 70 26.213 38.977 7.208 1.00 18.98 C ATOM 996 C THR A 70 26.882 37.858 6.415 1.00 18.74 C ATOM 997 O THR A 70 26.290 36.802 6.225 1.00 19.52 O ATOM 998 CB THR A 70 26.527 38.735 8.703 1.00 21.72 C ATOM 999 OG1 THR A 70 25.598 39.466 9.513 1.00 27.46 O ATOM 1000 CG2 THR A 70 27.922 39.204 9.011 1.00 21.35 C ATOM 1001 HA THR A 70 26.571 39.969 6.933 1.00 0.00 H ATOM 1002 HB THR A 70 26.444 37.669 8.917 1.00 0.00 H ATOM 1003 HG1 THR A 70 25.676 40.432 9.312 1.00 0.00 H ATOM 1004 HG23 THR A 70 28.634 38.651 8.398 1.00 0.00 H ATOM 1005 HG21 THR A 70 28.002 40.269 8.793 1.00 0.00 H ATOM 1006 HG22 THR A 70 28.138 39.031 10.065 1.00 0.00 H ATOM 1007 H THR A 70 24.343 37.968 6.827 1.00 0.00 H ATOM 1008 N THR A 71 28.100 38.111 5.953 1.00 19.09 N ATOM 1009 CA THR A 71 28.878 37.127 5.214 1.00 19.30 C ATOM 1010 C THR A 71 30.202 37.028 5.944 1.00 20.37 C ATOM 1011 O THR A 71 30.824 38.045 6.243 1.00 21.63 O ATOM 1012 CB THR A 71 29.084 37.569 3.755 1.00 20.14 C ATOM 1013 OG1 THR A 71 27.797 37.721 3.146 1.00 18.57 O ATOM 1014 CG2 THR A 71 29.907 36.540 2.990 1.00 22.08 C ATOM 1015 HA THR A 71 28.370 36.164 5.170 1.00 0.00 H ATOM 1016 HB THR A 71 29.627 38.514 3.732 1.00 0.00 H ATOM 1017 HG1 THR A 71 27.279 38.405 3.639 1.00 0.00 H ATOM 1018 HG23 THR A 71 30.883 36.433 3.463 1.00 0.00 H ATOM 1019 HG21 THR A 71 29.389 35.581 3.002 1.00 0.00 H ATOM 1020 HG22 THR A 71 30.035 36.872 1.960 1.00 0.00 H ATOM 1021 H THR A 71 28.515 39.049 6.126 1.00 0.00 H ATOM 1022 N ILE A 72 30.607 35.808 6.269 1.00 16.87 N ATOM 1023 CA ILE A 72 31.833 35.560 6.998 1.00 18.21 C ATOM 1024 C ILE A 72 32.767 34.780 6.083 1.00 17.44 C ATOM 1025 O ILE A 72 32.368 33.778 5.487 1.00 17.56 O ATOM 1026 CB ILE A 72 31.554 34.739 8.282 1.00 18.32 C ATOM 1027 CG1 ILE A 72 30.553 35.483 9.168 1.00 22.01 C ATOM 1028 CG2 ILE A 72 32.852 34.461 9.010 1.00 19.52 C ATOM 1029 CD1 ILE A 72 29.093 35.239 8.771 1.00 26.59 C ATOM 1030 HA ILE A 72 32.282 36.507 7.298 1.00 0.00 H ATOM 1031 HB ILE A 72 31.112 33.779 8.015 1.00 0.00 H ATOM 1032 HG12 ILE A 72 30.691 35.154 10.198 1.00 0.00 H ATOM 1033 HG13 ILE A 72 30.757 36.552 9.099 1.00 0.00 H ATOM 1034 HD11 ILE A 72 28.936 35.573 7.745 1.00 0.00 H ATOM 1035 HD12 ILE A 72 28.870 34.175 8.846 1.00 0.00 H ATOM 1036 HD13 ILE A 72 28.438 35.796 9.440 1.00 0.00 H ATOM 1037 HG21 ILE A 72 33.518 33.895 8.359 1.00 0.00 H ATOM 1038 HG22 ILE A 72 33.324 35.405 9.282 1.00 0.00 H ATOM 1039 HG23 ILE A 72 32.645 33.883 9.911 1.00 0.00 H ATOM 1040 H ILE A 72 30.020 34.996 5.989 1.00 0.00 H ATOM 1041 N ILE A 73 34.009 35.251 5.971 1.00 16.74 N ATOM 1042 CA ILE A 73 35.008 34.614 5.103 1.00 18.11 C ATOM 1043 C ILE A 73 36.236 34.232 5.927 1.00 17.03 C ATOM 1044 O ILE A 73 36.858 35.082 6.542 1.00 18.66 O ATOM 1045 CB ILE A 73 35.433 35.577 3.946 1.00 18.05 C ATOM 1046 CG1 ILE A 73 34.195 36.052 3.158 1.00 18.29 C ATOM 1047 CG2 ILE A 73 36.368 34.860 2.957 1.00 18.72 C ATOM 1048 CD1 ILE A 73 33.714 37.414 3.606 1.00 23.14 C ATOM 1049 HA ILE A 73 34.565 33.719 4.666 1.00 0.00 H ATOM 1050 HB ILE A 73 35.945 36.426 4.400 1.00 0.00 H ATOM 1051 HG12 ILE A 73 34.451 36.102 2.100 1.00 0.00 H ATOM 1052 HG13 ILE A 73 33.390 35.331 3.302 1.00 0.00 H ATOM 1053 HD11 ILE A 73 33.447 37.374 4.662 1.00 0.00 H ATOM 1054 HD12 ILE A 73 34.509 38.145 3.458 1.00 0.00 H ATOM 1055 HD13 ILE A 73 32.841 37.701 3.019 1.00 0.00 H ATOM 1056 HG21 ILE A 73 37.262 34.524 3.483 1.00 0.00 H ATOM 1057 HG22 ILE A 73 35.852 34.001 2.529 1.00 0.00 H ATOM 1058 HG23 ILE A 73 36.650 35.549 2.161 1.00 0.00 H ATOM 1059 H ILE A 73 34.279 36.095 6.515 1.00 0.00 H ATOM 1060 N LEU A 74 36.595 32.951 5.926 1.00 17.42 N ATOM 1061 CA LEU A 74 37.736 32.499 6.697 1.00 16.99 C ATOM 1062 C LEU A 74 38.163 31.138 6.168 1.00 17.67 C ATOM 1063 O LEU A 74 37.379 30.441 5.487 1.00 18.25 O ATOM 1064 CB LEU A 74 37.345 32.398 8.187 1.00 20.19 C ATOM 1065 CG LEU A 74 36.522 31.207 8.683 1.00 19.66 C ATOM 1066 CD1 LEU A 74 36.352 31.399 10.195 1.00 21.05 C ATOM 1067 CD2 LEU A 74 35.148 31.094 8.003 1.00 20.66 C ATOM 1068 HA LEU A 74 38.562 33.204 6.604 1.00 0.00 H ATOM 1069 HB2 LEU A 74 38.274 32.398 8.757 1.00 0.00 H ATOM 1070 HB3 LEU A 74 36.774 33.296 8.424 1.00 0.00 H ATOM 1071 HG LEU A 74 37.043 30.281 8.438 1.00 0.00 H ATOM 1072 HD21 LEU A 74 34.571 31.998 8.200 1.00 0.00 H ATOM 1073 HD22 LEU A 74 35.285 30.975 6.928 1.00 0.00 H ATOM 1074 HD23 LEU A 74 34.617 30.229 8.401 1.00 0.00 H ATOM 1075 HD11 LEU A 74 37.333 31.422 10.670 1.00 0.00 H ATOM 1076 HD12 LEU A 74 35.834 32.339 10.385 1.00 0.00 H ATOM 1077 HD13 LEU A 74 35.769 30.573 10.602 1.00 0.00 H ATOM 1078 H LEU A 74 36.050 32.265 5.365 1.00 0.00 H ATOM 1079 N SER A 75 39.398 30.745 6.475 1.00 18.33 N ATOM 1080 CA SER A 75 39.887 29.462 6.010 1.00 19.30 C ATOM 1081 C SER A 75 39.211 28.301 6.758 1.00 19.44 C ATOM 1082 O SER A 75 38.705 28.464 7.868 1.00 19.86 O ATOM 1083 CB SER A 75 41.414 29.358 6.203 1.00 19.62 C ATOM 1084 OG SER A 75 41.771 29.267 7.592 1.00 19.69 O ATOM 1085 HA SER A 75 39.645 29.391 4.950 1.00 0.00 H ATOM 1086 HB2 SER A 75 41.885 30.243 5.774 1.00 0.00 H ATOM 1087 HB3 SER A 75 41.776 28.469 5.686 1.00 0.00 H ATOM 1088 HG SER A 75 42.755 29.202 7.675 1.00 0.00 H ATOM 1089 H SER A 75 40.012 31.359 7.048 1.00 0.00 H ATOM 1090 N ASP A 76 39.218 27.131 6.128 1.00 19.78 N ATOM 1091 CA ASP A 76 38.666 25.930 6.733 1.00 18.53 C ATOM 1092 C ASP A 76 39.368 25.687 8.062 1.00 20.51 C ATOM 1093 O ASP A 76 38.730 25.364 9.078 1.00 19.44 O ATOM 1094 CB ASP A 76 38.900 24.741 5.786 1.00 21.25 C ATOM 1095 CG ASP A 76 38.244 23.463 6.274 1.00 24.20 C ATOM 1096 OD1 ASP A 76 37.026 23.473 6.515 1.00 21.71 O ATOM 1097 OD2 ASP A 76 38.954 22.448 6.424 1.00 24.85 O ATOM 1098 HA ASP A 76 37.596 26.045 6.904 1.00 0.00 H ATOM 1099 HB2 ASP A 76 38.492 24.990 4.806 1.00 0.00 H ATOM 1100 HB3 ASP A 76 39.973 24.571 5.699 1.00 0.00 H ATOM 1101 H ASP A 76 39.630 27.073 5.175 1.00 0.00 H ATOM 1102 N GLU A 77 40.683 25.844 8.070 1.00 20.48 N ATOM 1103 CA GLU A 77 41.442 25.613 9.293 1.00 23.75 C ATOM 1104 C GLU A 77 41.079 26.565 10.423 1.00 22.18 C ATOM 1105 O GLU A 77 40.915 26.146 11.598 1.00 21.05 O ATOM 1106 CB GLU A 77 42.950 25.696 8.996 1.00 29.26 C ATOM 1107 CG GLU A 77 43.830 25.788 10.230 1.00 36.04 C ATOM 1108 CD GLU A 77 43.791 24.545 11.103 1.00 41.55 C ATOM 1109 OE1 GLU A 77 43.904 23.431 10.551 1.00 43.83 O ATOM 1110 OE2 GLU A 77 43.671 24.682 12.343 1.00 43.29 O ATOM 1111 HA GLU A 77 41.179 24.613 9.638 1.00 0.00 H ATOM 1112 HB2 GLU A 77 43.237 24.805 8.438 1.00 0.00 H ATOM 1113 HB3 GLU A 77 43.129 26.580 8.383 1.00 0.00 H ATOM 1114 HG2 GLU A 77 44.859 25.950 9.908 1.00 0.00 H ATOM 1115 HG3 GLU A 77 43.499 26.638 10.826 1.00 0.00 H ATOM 1116 H GLU A 77 41.176 26.133 7.201 1.00 0.00 H ATOM 1117 N ASP A 78 40.946 27.839 10.092 1.00 19.47 N ATOM 1118 CA ASP A 78 40.611 28.826 11.100 1.00 19.28 C ATOM 1119 C ASP A 78 39.195 28.632 11.613 1.00 20.67 C ATOM 1120 O ASP A 78 38.940 28.820 12.800 1.00 19.13 O ATOM 1121 CB ASP A 78 40.811 30.232 10.562 1.00 20.32 C ATOM 1122 CG ASP A 78 42.268 30.641 10.568 1.00 23.18 C ATOM 1123 OD1 ASP A 78 43.093 29.888 11.127 1.00 24.89 O ATOM 1124 OD2 ASP A 78 42.590 31.706 10.024 1.00 21.41 O ATOM 1125 HA ASP A 78 41.287 28.687 11.944 1.00 0.00 H ATOM 1126 HB2 ASP A 78 40.438 30.274 9.539 1.00 0.00 H ATOM 1127 HB3 ASP A 78 40.247 30.929 11.182 1.00 0.00 H ATOM 1128 H ASP A 78 41.082 28.134 9.104 1.00 0.00 H ATOM 1129 N PHE A 79 38.282 28.242 10.727 1.00 19.09 N ATOM 1130 CA PHE A 79 36.917 27.970 11.132 1.00 18.96 C ATOM 1131 C PHE A 79 36.953 26.815 12.157 1.00 21.12 C ATOM 1132 O PHE A 79 36.321 26.901 13.213 1.00 21.70 O ATOM 1133 CB PHE A 79 36.089 27.592 9.907 1.00 19.34 C ATOM 1134 CG PHE A 79 34.677 27.181 10.229 1.00 21.18 C ATOM 1135 CD1 PHE A 79 34.373 25.856 10.555 1.00 23.45 C ATOM 1136 CD2 PHE A 79 33.637 28.121 10.180 1.00 21.30 C ATOM 1137 CE1 PHE A 79 33.014 25.472 10.827 1.00 22.96 C ATOM 1138 CE2 PHE A 79 32.312 27.754 10.447 1.00 20.81 C ATOM 1139 CZ PHE A 79 32.003 26.428 10.767 1.00 22.68 C ATOM 1140 HA PHE A 79 36.458 28.848 11.587 1.00 0.00 H ATOM 1141 HB2 PHE A 79 36.053 28.452 9.238 1.00 0.00 H ATOM 1142 HB3 PHE A 79 36.582 26.761 9.402 1.00 0.00 H ATOM 1143 HD2 PHE A 79 33.864 29.157 9.929 1.00 0.00 H ATOM 1144 HE2 PHE A 79 31.521 28.503 10.405 1.00 0.00 H ATOM 1145 HZ PHE A 79 30.971 26.143 10.969 1.00 0.00 H ATOM 1146 HE1 PHE A 79 32.777 24.438 11.079 1.00 0.00 H ATOM 1147 HD1 PHE A 79 35.168 25.112 10.603 1.00 0.00 H ATOM 1148 H PHE A 79 38.552 28.131 9.729 1.00 0.00 H ATOM 1149 N MET A 80 37.689 25.742 11.859 1.00 20.63 N ATOM 1150 CA MET A 80 37.787 24.633 12.828 1.00 23.44 C ATOM 1151 C MET A 80 38.415 25.105 14.156 1.00 22.05 C ATOM 1152 O MET A 80 38.000 24.668 15.229 1.00 23.68 O ATOM 1153 CB MET A 80 38.615 23.484 12.250 1.00 22.32 C ATOM 1154 CG MET A 80 38.002 22.817 11.032 1.00 24.61 C ATOM 1155 SD MET A 80 36.248 22.356 11.249 1.00 27.21 S ATOM 1156 CE MET A 80 36.391 21.121 12.555 1.00 26.75 C ATOM 1157 HA MET A 80 36.775 24.282 13.027 1.00 0.00 H ATOM 1158 HB2 MET A 80 39.592 23.876 11.968 1.00 0.00 H ATOM 1159 HB3 MET A 80 38.738 22.729 13.026 1.00 0.00 H ATOM 1160 HG2 MET A 80 38.571 21.913 10.812 1.00 0.00 H ATOM 1161 HG3 MET A 80 38.075 23.505 10.190 1.00 0.00 H ATOM 1162 HE1 MET A 80 37.021 20.301 12.211 1.00 0.00 H ATOM 1163 HE2 MET A 80 36.838 21.578 13.438 1.00 0.00 H ATOM 1164 HE3 MET A 80 35.400 20.740 12.803 1.00 0.00 H ATOM 1165 H MET A 80 38.190 25.688 10.949 1.00 0.00 H ATOM 1166 N GLU A 81 39.405 25.999 14.098 1.00 23.02 N ATOM 1167 CA GLU A 81 40.015 26.480 15.332 1.00 24.56 C ATOM 1168 C GLU A 81 38.986 27.210 16.190 1.00 25.29 C ATOM 1169 O GLU A 81 38.965 27.071 17.422 1.00 26.16 O ATOM 1170 CB GLU A 81 41.206 27.385 15.030 1.00 24.27 C ATOM 1171 CG GLU A 81 42.394 26.558 14.621 1.00 26.12 C ATOM 1172 CD GLU A 81 43.623 27.370 14.357 1.00 26.52 C ATOM 1173 OE1 GLU A 81 43.738 28.471 14.921 1.00 25.42 O ATOM 1174 OE2 GLU A 81 44.485 26.891 13.596 1.00 28.12 O ATOM 1175 HA GLU A 81 40.378 25.618 15.892 1.00 0.00 H ATOM 1176 HB2 GLU A 81 40.945 28.067 14.220 1.00 0.00 H ATOM 1177 HB3 GLU A 81 41.457 27.961 15.921 1.00 0.00 H ATOM 1178 HG2 GLU A 81 42.613 25.849 15.420 1.00 0.00 H ATOM 1179 HG3 GLU A 81 42.139 26.012 13.713 1.00 0.00 H ATOM 1180 H GLU A 81 39.739 26.350 13.178 1.00 0.00 H ATOM 1181 N VAL A 82 38.121 27.975 15.530 1.00 23.56 N ATOM 1182 CA VAL A 82 37.072 28.693 16.231 1.00 23.35 C ATOM 1183 C VAL A 82 36.113 27.698 16.889 1.00 24.61 C ATOM 1184 O VAL A 82 35.801 27.805 18.071 1.00 26.68 O ATOM 1185 CB VAL A 82 36.282 29.607 15.258 1.00 24.16 C ATOM 1186 CG1 VAL A 82 34.973 30.086 15.912 1.00 23.81 C ATOM 1187 CG2 VAL A 82 37.150 30.781 14.856 1.00 22.26 C ATOM 1188 HA VAL A 82 37.536 29.317 16.995 1.00 0.00 H ATOM 1189 HB VAL A 82 36.018 29.042 14.364 1.00 0.00 H ATOM 1190 HG11 VAL A 82 34.358 29.223 16.166 1.00 0.00 H ATOM 1191 HG12 VAL A 82 35.205 30.647 16.817 1.00 0.00 H ATOM 1192 HG13 VAL A 82 34.433 30.726 15.214 1.00 0.00 H ATOM 1193 HG21 VAL A 82 37.427 31.347 15.745 1.00 0.00 H ATOM 1194 HG22 VAL A 82 38.050 30.414 14.362 1.00 0.00 H ATOM 1195 HG23 VAL A 82 36.596 31.424 14.172 1.00 0.00 H ATOM 1196 H VAL A 82 38.197 28.060 14.496 1.00 0.00 H ATOM 1197 N VAL A 83 35.665 26.730 16.110 1.00 26.14 N ATOM 1198 CA VAL A 83 34.735 25.722 16.585 1.00 28.42 C ATOM 1199 C VAL A 83 35.291 24.939 17.765 1.00 29.81 C ATOM 1200 O VAL A 83 34.564 24.676 18.719 1.00 30.57 O ATOM 1201 CB VAL A 83 34.350 24.773 15.430 1.00 28.71 C ATOM 1202 CG1 VAL A 83 33.707 23.478 15.963 1.00 32.54 C ATOM 1203 CG2 VAL A 83 33.364 25.501 14.529 1.00 29.17 C ATOM 1204 HA VAL A 83 33.841 26.236 16.939 1.00 0.00 H ATOM 1205 HB VAL A 83 35.248 24.495 14.878 1.00 0.00 H ATOM 1206 HG11 VAL A 83 34.414 22.964 16.615 1.00 0.00 H ATOM 1207 HG12 VAL A 83 32.807 23.726 16.525 1.00 0.00 H ATOM 1208 HG13 VAL A 83 33.447 22.831 15.125 1.00 0.00 H ATOM 1209 HG21 VAL A 83 32.479 25.771 15.105 1.00 0.00 H ATOM 1210 HG22 VAL A 83 33.832 26.403 14.135 1.00 0.00 H ATOM 1211 HG23 VAL A 83 33.077 24.849 13.704 1.00 0.00 H ATOM 1212 H VAL A 83 35.990 26.689 15.123 1.00 0.00 H ATOM 1213 N LEU A 84 36.577 24.596 17.716 1.00 30.31 N ATOM 1214 CA LEU A 84 37.209 23.832 18.790 1.00 32.02 C ATOM 1215 C LEU A 84 37.628 24.699 19.973 1.00 35.13 C ATOM 1216 O LEU A 84 38.222 24.193 20.927 1.00 36.25 O ATOM 1217 CB LEU A 84 38.438 23.094 18.264 1.00 32.71 C ATOM 1218 CG LEU A 84 38.200 22.093 17.137 1.00 34.62 C ATOM 1219 CD1 LEU A 84 39.541 21.561 16.657 1.00 36.73 C ATOM 1220 CD2 LEU A 84 37.290 20.978 17.619 1.00 36.25 C ATOM 1221 HA LEU A 84 36.457 23.126 19.143 1.00 0.00 H ATOM 1222 HB2 LEU A 84 39.143 23.841 17.900 1.00 0.00 H ATOM 1223 HB3 LEU A 84 38.883 22.553 19.099 1.00 0.00 H ATOM 1224 HG LEU A 84 37.703 22.579 16.297 1.00 0.00 H ATOM 1225 HD21 LEU A 84 37.758 20.468 18.461 1.00 0.00 H ATOM 1226 HD22 LEU A 84 36.335 21.400 17.933 1.00 0.00 H ATOM 1227 HD23 LEU A 84 37.126 20.269 16.808 1.00 0.00 H ATOM 1228 HD11 LEU A 84 40.149 22.389 16.292 1.00 0.00 H ATOM 1229 HD12 LEU A 84 40.053 21.069 17.484 1.00 0.00 H ATOM 1230 HD13 LEU A 84 39.379 20.845 15.851 1.00 0.00 H ATOM 1231 H LEU A 84 37.146 24.879 16.893 1.00 0.00 H ATOM 1232 N GLY A 85 37.319 25.989 19.914 1.00 33.21 N ATOM 1233 CA GLY A 85 37.682 26.904 20.984 1.00 35.03 C ATOM 1234 C GLY A 85 39.158 27.274 21.047 1.00 35.20 C ATOM 1235 O GLY A 85 39.614 27.781 22.067 1.00 39.25 O ATOM 1236 HA3 GLY A 85 37.409 26.440 21.932 1.00 0.00 H ATOM 1237 HA2 GLY A 85 37.109 27.822 20.852 1.00 0.00 H ATOM 1238 H GLY A 85 36.807 26.352 19.085 1.00 0.00 H ATOM 1239 N LYS A 86 39.903 27.035 19.973 1.00 34.52 N ATOM 1240 CA LYS A 86 41.331 27.343 19.923 1.00 34.43 C ATOM 1241 C LYS A 86 41.640 28.738 19.357 1.00 32.84 C ATOM 1242 O LYS A 86 42.780 29.205 19.428 1.00 35.70 O ATOM 1243 CB LYS A 86 42.055 26.290 19.078 1.00 35.84 C ATOM 1244 CG LYS A 86 41.954 24.874 19.638 1.00 40.42 C ATOM 1245 CD LYS A 86 42.335 23.810 18.608 1.00 43.20 C ATOM 1246 CE LYS A 86 43.820 23.858 18.230 1.00 44.31 C ATOM 1247 NZ LYS A 86 44.174 22.775 17.243 1.00 44.03 N ATOM 1248 HA LYS A 86 41.684 27.332 20.954 1.00 0.00 H ATOM 1249 HB2 LYS A 86 41.623 26.296 18.077 1.00 0.00 H ATOM 1250 HB3 LYS A 86 43.109 26.562 19.019 1.00 0.00 H ATOM 1251 HG2 LYS A 86 42.623 24.788 20.494 1.00 0.00 H ATOM 1252 HG3 LYS A 86 40.928 24.697 19.961 1.00 0.00 H ATOM 1253 HD2 LYS A 86 42.112 22.827 19.023 1.00 0.00 H ATOM 1254 HD3 LYS A 86 41.740 23.967 17.708 1.00 0.00 H ATOM 1255 HE2 LYS A 86 44.420 23.727 19.131 1.00 0.00 H ATOM 1256 HE3 LYS A 86 44.042 24.829 17.786 1.00 0.00 H ATOM 1257 HZ1 LYS A 86 43.970 21.845 17.662 1.00 0.00 H ATOM 1258 HZ2 LYS A 86 43.609 22.898 16.378 1.00 0.00 H ATOM 1259 HZ3 LYS A 86 45.186 22.837 17.010 1.00 0.00 H ATOM 1260 H LYS A 86 39.453 26.613 19.136 1.00 0.00 H ATOM 1261 N LEU A 87 40.635 29.383 18.770 1.00 31.04 N ATOM 1262 CA LEU A 87 40.795 30.725 18.172 1.00 27.01 C ATOM 1263 C LEU A 87 39.542 31.523 18.495 1.00 26.12 C ATOM 1264 O LEU A 87 38.418 31.087 18.216 1.00 25.10 O ATOM 1265 CB LEU A 87 40.975 30.617 16.644 1.00 27.44 C ATOM 1266 CG LEU A 87 41.150 31.905 15.824 1.00 26.67 C ATOM 1267 CD1 LEU A 87 42.469 32.619 16.234 1.00 28.89 C ATOM 1268 CD2 LEU A 87 41.179 31.563 14.330 1.00 22.79 C ATOM 1269 HA LEU A 87 41.680 31.216 18.577 1.00 0.00 H ATOM 1270 HB2 LEU A 87 41.858 30.003 16.468 1.00 0.00 H ATOM 1271 HB3 LEU A 87 40.095 30.106 16.253 1.00 0.00 H ATOM 1272 HG LEU A 87 40.313 32.574 16.021 1.00 0.00 H ATOM 1273 HD21 LEU A 87 42.012 30.889 14.129 1.00 0.00 H ATOM 1274 HD22 LEU A 87 40.243 31.079 14.051 1.00 0.00 H ATOM 1275 HD23 LEU A 87 41.303 32.478 13.751 1.00 0.00 H ATOM 1276 HD11 LEU A 87 42.431 32.870 17.294 1.00 0.00 H ATOM 1277 HD12 LEU A 87 43.313 31.955 16.047 1.00 0.00 H ATOM 1278 HD13 LEU A 87 42.585 33.531 15.648 1.00 0.00 H ATOM 1279 H LEU A 87 39.702 28.926 18.731 1.00 0.00 H ATOM 1280 N ASP A 88 39.733 32.673 19.129 1.00 25.47 N ATOM 1281 CA ASP A 88 38.628 33.545 19.495 1.00 23.83 C ATOM 1282 C ASP A 88 38.200 34.246 18.201 1.00 25.52 C ATOM 1283 O ASP A 88 39.023 34.853 17.535 1.00 23.51 O ATOM 1284 CB ASP A 88 39.104 34.572 20.523 1.00 28.01 C ATOM 1285 CG ASP A 88 37.999 35.487 20.968 1.00 28.83 C ATOM 1286 OD1 ASP A 88 37.563 36.317 20.152 1.00 28.22 O ATOM 1287 OD2 ASP A 88 37.550 35.364 22.134 1.00 33.95 O ATOM 1288 HA ASP A 88 37.800 32.991 19.938 1.00 0.00 H ATOM 1289 HB2 ASP A 88 39.493 34.043 21.393 1.00 0.00 H ATOM 1290 HB3 ASP A 88 39.898 35.171 20.078 1.00 0.00 H ATOM 1291 H ASP A 88 40.703 32.960 19.372 1.00 0.00 H ATOM 1292 N PRO A 89 36.914 34.155 17.838 1.00 26.83 N ATOM 1293 CA PRO A 89 36.472 34.796 16.596 1.00 26.97 C ATOM 1294 C PRO A 89 36.601 36.312 16.572 1.00 24.79 C ATOM 1295 O PRO A 89 36.816 36.890 15.505 1.00 24.25 O ATOM 1296 CB PRO A 89 35.036 34.295 16.434 1.00 28.19 C ATOM 1297 CG PRO A 89 34.576 34.138 17.834 1.00 28.50 C ATOM 1298 CD PRO A 89 35.783 33.508 18.533 1.00 26.19 C ATOM 1299 HA PRO A 89 37.112 34.528 15.755 1.00 0.00 H ATOM 1300 HD3 PRO A 89 35.789 33.738 19.598 1.00 0.00 H ATOM 1301 HD2 PRO A 89 35.800 32.427 18.396 1.00 0.00 H ATOM 1302 HG3 PRO A 89 33.707 33.483 17.889 1.00 0.00 H ATOM 1303 HG2 PRO A 89 34.329 35.104 18.275 1.00 0.00 H ATOM 1304 HB2 PRO A 89 34.425 35.023 15.900 1.00 0.00 H ATOM 1305 HB3 PRO A 89 35.011 33.343 15.904 1.00 0.00 H ATOM 1306 N GLN A 90 36.485 36.966 17.730 1.00 24.59 N ATOM 1307 CA GLN A 90 36.637 38.414 17.734 1.00 24.58 C ATOM 1308 C GLN A 90 38.121 38.727 17.538 1.00 23.10 C ATOM 1309 O GLN A 90 38.477 39.660 16.820 1.00 20.95 O ATOM 1310 CB GLN A 90 36.130 39.029 19.047 1.00 28.26 C ATOM 1311 CG GLN A 90 34.617 39.204 19.120 1.00 33.08 C ATOM 1312 CD GLN A 90 33.858 37.893 19.052 1.00 37.04 C ATOM 1313 OE1 GLN A 90 34.019 37.017 19.912 1.00 39.37 O ATOM 1314 NE2 GLN A 90 33.022 37.746 18.023 1.00 38.66 N ATOM 1315 HA GLN A 90 36.042 38.847 16.930 1.00 0.00 H ATOM 1316 HB2 GLN A 90 36.438 38.382 19.868 1.00 0.00 H ATOM 1317 HB3 GLN A 90 36.593 40.009 19.165 1.00 0.00 H ATOM 1318 HG2 GLN A 90 34.370 39.699 20.060 1.00 0.00 H ATOM 1319 HG3 GLN A 90 34.300 39.831 18.287 1.00 0.00 H ATOM 1320 HE22 GLN A 90 32.919 38.509 17.324 1.00 0.00 H ATOM 1321 HE21 GLN A 90 32.474 36.868 17.920 1.00 0.00 H ATOM 1322 H GLN A 90 36.290 36.451 18.612 1.00 0.00 H ATOM 1323 N LYS A 91 39.006 37.944 18.156 1.00 22.02 N ATOM 1324 CA LYS A 91 40.414 38.219 17.962 1.00 21.10 C ATOM 1325 C LYS A 91 40.812 37.950 16.504 1.00 23.35 C ATOM 1326 O LYS A 91 41.634 38.677 15.933 1.00 23.69 O ATOM 1327 CB LYS A 91 41.260 37.375 18.916 1.00 22.86 C ATOM 1328 CG LYS A 91 41.016 37.739 20.396 1.00 23.60 C ATOM 1329 CD LYS A 91 41.992 36.987 21.293 1.00 27.81 C ATOM 1330 CE LYS A 91 41.759 37.294 22.773 1.00 29.92 C ATOM 1331 NZ LYS A 91 42.762 36.613 23.640 1.00 33.77 N ATOM 1332 HA LYS A 91 40.598 39.271 18.182 1.00 0.00 H ATOM 1333 HB2 LYS A 91 41.012 36.324 18.768 1.00 0.00 H ATOM 1334 HB3 LYS A 91 42.313 37.534 18.685 1.00 0.00 H ATOM 1335 HG2 LYS A 91 41.156 38.811 20.531 1.00 0.00 H ATOM 1336 HG3 LYS A 91 39.996 37.470 20.669 1.00 0.00 H ATOM 1337 HD2 LYS A 91 41.867 35.916 21.131 1.00 0.00 H ATOM 1338 HD3 LYS A 91 43.009 37.277 21.029 1.00 0.00 H ATOM 1339 HE2 LYS A 91 40.761 36.955 23.052 1.00 0.00 H ATOM 1340 HE3 LYS A 91 41.831 38.371 22.927 1.00 0.00 H ATOM 1341 HZ1 LYS A 91 42.695 35.584 23.503 1.00 0.00 H ATOM 1342 HZ2 LYS A 91 43.717 36.937 23.384 1.00 0.00 H ATOM 1343 HZ3 LYS A 91 42.572 36.845 24.636 1.00 0.00 H ATOM 1344 H LYS A 91 38.693 37.158 18.761 1.00 0.00 H ATOM 1345 N ALA A 92 40.215 36.911 15.912 1.00 20.74 N ATOM 1346 CA ALA A 92 40.483 36.552 14.522 1.00 20.15 C ATOM 1347 C ALA A 92 40.015 37.665 13.606 1.00 19.61 C ATOM 1348 O ALA A 92 40.639 37.948 12.602 1.00 19.48 O ATOM 1349 CB ALA A 92 39.771 35.242 14.158 1.00 20.73 C ATOM 1350 HA ALA A 92 41.557 36.410 14.398 1.00 0.00 H ATOM 1351 HB1 ALA A 92 40.130 34.443 14.806 1.00 0.00 H ATOM 1352 HB2 ALA A 92 38.696 35.365 14.292 1.00 0.00 H ATOM 1353 HB3 ALA A 92 39.983 34.991 13.119 1.00 0.00 H ATOM 1354 H ALA A 92 39.539 36.340 16.458 1.00 0.00 H ATOM 1355 N PHE A 93 38.911 38.302 13.966 1.00 20.60 N ATOM 1356 CA PHE A 93 38.381 39.390 13.154 1.00 21.35 C ATOM 1357 C PHE A 93 39.321 40.579 13.209 1.00 21.40 C ATOM 1358 O PHE A 93 39.676 41.146 12.181 1.00 20.00 O ATOM 1359 CB PHE A 93 37.006 39.820 13.665 1.00 23.13 C ATOM 1360 CG PHE A 93 36.462 41.044 12.968 1.00 24.52 C ATOM 1361 CD1 PHE A 93 35.892 40.947 11.695 1.00 23.64 C ATOM 1362 CD2 PHE A 93 36.546 42.304 13.573 1.00 25.43 C ATOM 1363 CE1 PHE A 93 35.412 42.076 11.038 1.00 23.52 C ATOM 1364 CE2 PHE A 93 36.067 43.449 12.916 1.00 27.00 C ATOM 1365 CZ PHE A 93 35.497 43.337 11.648 1.00 26.36 C ATOM 1366 HA PHE A 93 38.288 39.037 12.127 1.00 0.00 H ATOM 1367 HB2 PHE A 93 36.308 38.997 13.513 1.00 0.00 H ATOM 1368 HB3 PHE A 93 37.085 40.036 14.731 1.00 0.00 H ATOM 1369 HD2 PHE A 93 36.988 42.397 14.565 1.00 0.00 H ATOM 1370 HE2 PHE A 93 36.141 44.425 13.397 1.00 0.00 H ATOM 1371 HZ PHE A 93 35.121 44.222 11.135 1.00 0.00 H ATOM 1372 HE1 PHE A 93 34.969 41.981 10.047 1.00 0.00 H ATOM 1373 HD1 PHE A 93 35.823 39.973 11.210 1.00 0.00 H ATOM 1374 H PHE A 93 38.417 38.023 14.838 1.00 0.00 H ATOM 1375 N PHE A 94 39.755 40.956 14.402 1.00 21.92 N ATOM 1376 CA PHE A 94 40.639 42.113 14.479 1.00 22.90 C ATOM 1377 C PHE A 94 42.049 41.858 13.956 1.00 24.50 C ATOM 1378 O PHE A 94 42.727 42.803 13.553 1.00 27.87 O ATOM 1379 CB PHE A 94 40.631 42.689 15.905 1.00 24.36 C ATOM 1380 CG PHE A 94 39.301 43.295 16.279 1.00 26.63 C ATOM 1381 CD1 PHE A 94 38.846 44.435 15.626 1.00 29.46 C ATOM 1382 CD2 PHE A 94 38.466 42.673 17.199 1.00 29.15 C ATOM 1383 CE1 PHE A 94 37.564 44.951 15.875 1.00 28.61 C ATOM 1384 CE2 PHE A 94 37.175 43.182 17.457 1.00 29.23 C ATOM 1385 CZ PHE A 94 36.736 44.321 16.787 1.00 29.06 C ATOM 1386 HA PHE A 94 40.238 42.864 13.798 1.00 0.00 H ATOM 1387 HB2 PHE A 94 40.859 41.887 16.607 1.00 0.00 H ATOM 1388 HB3 PHE A 94 41.398 43.460 15.975 1.00 0.00 H ATOM 1389 HD2 PHE A 94 38.811 41.784 17.726 1.00 0.00 H ATOM 1390 HE2 PHE A 94 36.525 42.686 18.177 1.00 0.00 H ATOM 1391 HZ PHE A 94 35.739 44.717 16.981 1.00 0.00 H ATOM 1392 HE1 PHE A 94 37.223 45.844 15.352 1.00 0.00 H ATOM 1393 HD1 PHE A 94 39.495 44.937 14.909 1.00 0.00 H ATOM 1394 H PHE A 94 39.473 40.441 15.260 1.00 0.00 H ATOM 1395 N SER A 95 42.483 40.595 13.913 1.00 23.30 N ATOM 1396 CA SER A 95 43.809 40.289 13.397 1.00 24.72 C ATOM 1397 C SER A 95 43.759 40.112 11.873 1.00 26.08 C ATOM 1398 O SER A 95 44.803 39.944 11.229 1.00 27.27 O ATOM 1399 CB SER A 95 44.387 39.024 14.055 1.00 26.45 C ATOM 1400 OG SER A 95 43.690 37.853 13.652 1.00 28.83 O ATOM 1401 HA SER A 95 44.463 41.127 13.640 1.00 0.00 H ATOM 1402 HB2 SER A 95 44.313 39.124 15.138 1.00 0.00 H ATOM 1403 HB3 SER A 95 45.435 38.926 13.772 1.00 0.00 H ATOM 1404 HG SER A 95 44.090 37.063 14.095 1.00 0.00 H ATOM 1405 H SER A 95 41.870 39.826 14.250 1.00 0.00 H ATOM 1406 N GLY A 96 42.550 40.142 11.309 1.00 24.06 N ATOM 1407 CA GLY A 96 42.383 40.012 9.873 1.00 25.67 C ATOM 1408 C GLY A 96 42.207 38.606 9.324 1.00 26.63 C ATOM 1409 O GLY A 96 42.090 38.441 8.102 1.00 27.11 O ATOM 1410 HA3 GLY A 96 43.265 40.443 9.399 1.00 0.00 H ATOM 1411 HA2 GLY A 96 41.502 40.588 9.590 1.00 0.00 H ATOM 1412 H GLY A 96 41.710 40.261 11.911 1.00 0.00 H ATOM 1413 N ARG A 97 42.181 37.596 10.198 1.00 25.76 N ATOM 1414 CA ARG A 97 42.014 36.193 9.771 1.00 24.40 C ATOM 1415 C ARG A 97 40.566 35.893 9.434 1.00 24.75 C ATOM 1416 O ARG A 97 40.280 35.045 8.599 1.00 25.71 O ATOM 1417 CB ARG A 97 42.489 35.221 10.870 1.00 26.23 C ATOM 1418 CG ARG A 97 44.003 35.230 11.071 1.00 27.59 C ATOM 1419 CD ARG A 97 44.429 34.473 12.309 1.00 26.77 C ATOM 1420 NE ARG A 97 44.284 33.021 12.184 1.00 28.49 N ATOM 1421 CZ ARG A 97 44.722 32.169 13.110 1.00 30.81 C ATOM 1422 NH1 ARG A 97 45.318 32.643 14.200 1.00 32.70 N ATOM 1423 NH2 ARG A 97 44.583 30.858 12.962 1.00 32.35 N ATOM 1424 HA ARG A 97 42.624 36.053 8.879 1.00 0.00 H ATOM 1425 HB2 ARG A 97 42.013 35.502 11.810 1.00 0.00 H ATOM 1426 HB3 ARG A 97 42.182 34.212 10.596 1.00 0.00 H ATOM 1427 HG2 ARG A 97 44.474 34.771 10.201 1.00 0.00 H ATOM 1428 HG3 ARG A 97 44.338 36.263 11.161 1.00 0.00 H ATOM 1429 HD2 ARG A 97 43.819 34.810 13.147 1.00 0.00 H ATOM 1430 HD3 ARG A 97 45.476 34.700 12.509 1.00 0.00 H ATOM 1431 HE ARG A 97 43.819 32.639 11.336 1.00 0.00 H ATOM 1432 HH12 ARG A 97 45.664 31.988 14.930 1.00 0.00 H ATOM 1433 HH11 ARG A 97 45.438 33.669 14.323 1.00 0.00 H ATOM 1434 HH22 ARG A 97 44.933 30.212 13.698 1.00 0.00 H ATOM 1435 HH21 ARG A 97 44.124 30.477 12.110 1.00 0.00 H ATOM 1436 H ARG A 97 42.282 37.805 11.212 1.00 0.00 H ATOM 1437 N LEU A 98 39.647 36.592 10.090 1.00 23.64 N ATOM 1438 CA LEU A 98 38.216 36.365 9.841 1.00 21.22 C ATOM 1439 C LEU A 98 37.646 37.645 9.267 1.00 21.35 C ATOM 1440 O LEU A 98 37.754 38.697 9.886 1.00 21.99 O ATOM 1441 CB LEU A 98 37.496 36.010 11.152 1.00 21.95 C ATOM 1442 CG LEU A 98 35.999 35.617 11.180 1.00 22.09 C ATOM 1443 CD1 LEU A 98 35.697 34.877 12.503 1.00 23.20 C ATOM 1444 CD2 LEU A 98 35.099 36.846 11.049 1.00 19.37 C ATOM 1445 HA LEU A 98 38.077 35.536 9.147 1.00 0.00 H ATOM 1446 HB2 LEU A 98 38.041 35.170 11.583 1.00 0.00 H ATOM 1447 HB3 LEU A 98 37.597 36.879 11.802 1.00 0.00 H ATOM 1448 HG LEU A 98 35.793 34.964 10.332 1.00 0.00 H ATOM 1449 HD21 LEU A 98 35.295 37.528 11.877 1.00 0.00 H ATOM 1450 HD22 LEU A 98 35.308 37.349 10.105 1.00 0.00 H ATOM 1451 HD23 LEU A 98 34.055 36.534 11.072 1.00 0.00 H ATOM 1452 HD11 LEU A 98 36.314 33.981 12.565 1.00 0.00 H ATOM 1453 HD12 LEU A 98 35.921 35.533 13.344 1.00 0.00 H ATOM 1454 HD13 LEU A 98 34.644 34.597 12.529 1.00 0.00 H ATOM 1455 H LEU A 98 39.942 37.306 10.786 1.00 0.00 H ATOM 1456 N LYS A 99 37.084 37.576 8.060 1.00 18.07 N ATOM 1457 CA LYS A 99 36.471 38.759 7.460 1.00 18.88 C ATOM 1458 C LYS A 99 34.966 38.673 7.637 1.00 20.13 C ATOM 1459 O LYS A 99 34.398 37.593 7.553 1.00 18.12 O ATOM 1460 CB LYS A 99 36.810 38.834 5.959 1.00 18.25 C ATOM 1461 CG LYS A 99 38.278 38.990 5.698 1.00 19.64 C ATOM 1462 CD LYS A 99 38.533 38.999 4.198 1.00 21.51 C ATOM 1463 CE LYS A 99 40.010 39.040 3.898 1.00 23.90 C ATOM 1464 NZ LYS A 99 40.148 39.080 2.430 1.00 24.92 N ATOM 1465 HA LYS A 99 36.856 39.654 7.949 1.00 0.00 H ATOM 1466 HB2 LYS A 99 36.467 37.918 5.479 1.00 0.00 H ATOM 1467 HB3 LYS A 99 36.287 39.687 5.527 1.00 0.00 H ATOM 1468 HG2 LYS A 99 38.626 39.928 6.131 1.00 0.00 H ATOM 1469 HG3 LYS A 99 38.818 38.159 6.153 1.00 0.00 H ATOM 1470 HD2 LYS A 99 38.105 38.098 3.759 1.00 0.00 H ATOM 1471 HD3 LYS A 99 38.056 39.876 3.761 1.00 0.00 H ATOM 1472 HE2 LYS A 99 40.499 38.151 4.297 1.00 0.00 H ATOM 1473 HE3 LYS A 99 40.458 39.929 4.341 1.00 0.00 H ATOM 1474 HZ1 LYS A 99 39.711 38.230 2.019 1.00 0.00 H ATOM 1475 HZ2 LYS A 99 39.673 39.929 2.061 1.00 0.00 H ATOM 1476 HZ3 LYS A 99 41.157 39.109 2.179 1.00 0.00 H ATOM 1477 H LYS A 99 37.082 36.674 7.542 1.00 0.00 H ATOM 1478 N ALA A 100 34.314 39.803 7.917 1.00 19.09 N ATOM 1479 CA ALA A 100 32.874 39.801 8.090 1.00 21.40 C ATOM 1480 C ALA A 100 32.356 40.993 7.315 1.00 23.66 C ATOM 1481 O ALA A 100 32.867 42.113 7.475 1.00 25.89 O ATOM 1482 CB ALA A 100 32.493 39.932 9.563 1.00 21.55 C ATOM 1483 HA ALA A 100 32.445 38.865 7.733 1.00 0.00 H ATOM 1484 HB1 ALA A 100 32.911 39.094 10.121 1.00 0.00 H ATOM 1485 HB2 ALA A 100 32.889 40.868 9.958 1.00 0.00 H ATOM 1486 HB3 ALA A 100 31.407 39.927 9.658 1.00 0.00 H ATOM 1487 H ALA A 100 34.843 40.693 8.012 1.00 0.00 H ATOM 1488 N ARG A 101 31.380 40.747 6.452 1.00 22.41 N ATOM 1489 CA ARG A 101 30.771 41.798 5.646 1.00 22.23 C ATOM 1490 C ARG A 101 29.300 41.905 6.036 1.00 23.96 C ATOM 1491 O ARG A 101 28.717 40.965 6.587 1.00 21.22 O ATOM 1492 CB ARG A 101 30.873 41.444 4.168 1.00 22.49 C ATOM 1493 CG ARG A 101 32.296 41.216 3.726 1.00 22.36 C ATOM 1494 CD ARG A 101 32.329 41.040 2.249 1.00 24.48 C ATOM 1495 NE ARG A 101 32.119 42.325 1.599 1.00 28.75 N ATOM 1496 CZ ARG A 101 32.196 42.523 0.287 1.00 28.73 C ATOM 1497 NH1 ARG A 101 32.481 41.517 -0.536 1.00 29.30 N ATOM 1498 NH2 ARG A 101 31.984 43.738 -0.197 1.00 31.36 N ATOM 1499 HA ARG A 101 31.284 42.744 5.819 1.00 0.00 H ATOM 1500 HB2 ARG A 101 30.300 40.535 3.986 1.00 0.00 H ATOM 1501 HB3 ARG A 101 30.451 42.261 3.583 1.00 0.00 H ATOM 1502 HG2 ARG A 101 32.906 42.075 4.005 1.00 0.00 H ATOM 1503 HG3 ARG A 101 32.689 40.321 4.209 1.00 0.00 H ATOM 1504 HD2 ARG A 101 31.542 40.348 1.948 1.00 0.00 H ATOM 1505 HD3 ARG A 101 33.298 40.637 1.953 1.00 0.00 H ATOM 1506 HE ARG A 101 31.894 43.143 2.201 1.00 0.00 H ATOM 1507 HH12 ARG A 101 32.539 41.684 -1.561 1.00 0.00 H ATOM 1508 HH11 ARG A 101 32.646 40.564 -0.154 1.00 0.00 H ATOM 1509 HH22 ARG A 101 32.041 43.907 -1.222 1.00 0.00 H ATOM 1510 HH21 ARG A 101 31.760 44.523 0.448 1.00 0.00 H ATOM 1511 H ARG A 101 31.037 39.771 6.346 1.00 0.00 H ATOM 1512 N GLY A 102 28.687 43.045 5.737 1.00 25.20 N ATOM 1513 CA GLY A 102 27.288 43.218 6.092 1.00 26.55 C ATOM 1514 C GLY A 102 27.120 43.662 7.537 1.00 28.36 C ATOM 1515 O GLY A 102 27.888 44.501 8.044 1.00 28.86 O ATOM 1516 HA3 GLY A 102 26.769 42.270 5.952 1.00 0.00 H ATOM 1517 HA2 GLY A 102 26.849 43.972 5.438 1.00 0.00 H ATOM 1518 H GLY A 102 29.203 43.807 5.253 1.00 0.00 H ATOM 1519 N ASN A 103 26.119 43.110 8.214 1.00 26.70 N ATOM 1520 CA ASN A 103 25.863 43.467 9.605 1.00 29.24 C ATOM 1521 C ASN A 103 26.763 42.612 10.491 1.00 28.83 C ATOM 1522 O ASN A 103 26.359 41.567 10.998 1.00 29.11 O ATOM 1523 CB ASN A 103 24.389 43.219 9.947 1.00 31.54 C ATOM 1524 CG ASN A 103 23.964 43.922 11.229 1.00 35.04 C ATOM 1525 OD1 ASN A 103 24.720 43.962 12.202 1.00 36.78 O ATOM 1526 ND2 ASN A 103 22.744 44.459 11.242 1.00 35.39 N ATOM 1527 HA ASN A 103 26.077 44.523 9.768 1.00 0.00 H ATOM 1528 HB2 ASN A 103 23.773 43.585 9.126 1.00 0.00 H ATOM 1529 HB3 ASN A 103 24.233 42.147 10.067 1.00 0.00 H ATOM 1530 HD22 ASN A 103 22.141 44.401 10.397 1.00 0.00 H ATOM 1531 HD21 ASN A 103 22.395 44.936 12.098 1.00 0.00 H ATOM 1532 H ASN A 103 25.508 42.412 7.744 1.00 0.00 H ATOM 1533 N ILE A 104 27.997 43.076 10.652 1.00 30.40 N ATOM 1534 CA ILE A 104 29.026 42.385 11.425 1.00 32.39 C ATOM 1535 C ILE A 104 28.615 41.938 12.830 1.00 34.72 C ATOM 1536 O ILE A 104 28.886 40.797 13.230 1.00 35.10 O ATOM 1537 CB ILE A 104 30.295 43.272 11.515 1.00 32.19 C ATOM 1538 CG1 ILE A 104 30.866 43.471 10.115 1.00 33.57 C ATOM 1539 CG2 ILE A 104 31.346 42.625 12.415 1.00 31.17 C ATOM 1540 CD1 ILE A 104 31.997 44.490 10.049 1.00 36.11 C ATOM 1541 HA ILE A 104 29.216 41.462 10.877 1.00 0.00 H ATOM 1542 HB ILE A 104 30.023 44.236 11.946 1.00 0.00 H ATOM 1543 HG12 ILE A 104 31.245 42.513 9.759 1.00 0.00 H ATOM 1544 HG13 ILE A 104 30.062 43.807 9.461 1.00 0.00 H ATOM 1545 HD11 ILE A 104 31.632 45.459 10.390 1.00 0.00 H ATOM 1546 HD12 ILE A 104 32.817 44.163 10.689 1.00 0.00 H ATOM 1547 HD13 ILE A 104 32.349 44.574 9.021 1.00 0.00 H ATOM 1548 HG21 ILE A 104 30.935 42.496 13.416 1.00 0.00 H ATOM 1549 HG22 ILE A 104 31.624 41.653 12.007 1.00 0.00 H ATOM 1550 HG23 ILE A 104 32.226 43.266 12.462 1.00 0.00 H ATOM 1551 H ILE A 104 28.244 43.981 10.203 1.00 0.00 H ATOM 1552 N MET A 105 27.955 42.815 13.575 1.00 35.08 N ATOM 1553 CA MET A 105 27.558 42.468 14.931 1.00 37.31 C ATOM 1554 C MET A 105 26.523 41.347 15.033 1.00 38.46 C ATOM 1555 O MET A 105 26.370 40.721 16.088 1.00 39.72 O ATOM 1556 CB MET A 105 27.074 43.717 15.680 1.00 36.88 C ATOM 1557 CG MET A 105 28.209 44.681 16.019 1.00 37.13 C ATOM 1558 SD MET A 105 29.653 43.798 16.710 1.00 35.05 S ATOM 1559 CE MET A 105 29.075 43.441 18.345 1.00 35.58 C ATOM 1560 HA MET A 105 28.456 42.069 15.402 1.00 0.00 H ATOM 1561 HB2 MET A 105 26.349 44.239 15.056 1.00 0.00 H ATOM 1562 HB3 MET A 105 26.594 43.403 16.607 1.00 0.00 H ATOM 1563 HG2 MET A 105 27.852 45.405 16.751 1.00 0.00 H ATOM 1564 HG3 MET A 105 28.513 45.203 15.112 1.00 0.00 H ATOM 1565 HE1 MET A 105 28.846 44.374 18.860 1.00 0.00 H ATOM 1566 HE2 MET A 105 28.176 42.828 18.285 1.00 0.00 H ATOM 1567 HE3 MET A 105 29.848 42.902 18.893 1.00 0.00 H ATOM 1568 H MET A 105 27.721 43.752 13.189 1.00 0.00 H ATOM 1569 N LEU A 106 25.817 41.083 13.943 1.00 38.54 N ATOM 1570 CA LEU A 106 24.832 40.016 13.944 1.00 38.83 C ATOM 1571 C LEU A 106 25.511 38.670 14.126 1.00 39.03 C ATOM 1572 O LEU A 106 24.960 37.765 14.760 1.00 40.67 O ATOM 1573 CB LEU A 106 24.054 39.995 12.625 1.00 38.66 C ATOM 1574 CG LEU A 106 22.927 41.000 12.481 1.00 37.60 C ATOM 1575 CD1 LEU A 106 22.246 40.786 11.143 1.00 38.26 C ATOM 1576 CD2 LEU A 106 21.949 40.823 13.618 1.00 38.84 C ATOM 1577 HA LEU A 106 24.145 40.200 14.770 1.00 0.00 H ATOM 1578 HB2 LEU A 106 24.765 40.178 11.819 1.00 0.00 H ATOM 1579 HB3 LEU A 106 23.625 38.999 12.510 1.00 0.00 H ATOM 1580 HG LEU A 106 23.318 42.017 12.519 1.00 0.00 H ATOM 1581 HD21 LEU A 106 21.542 39.812 13.591 1.00 0.00 H ATOM 1582 HD22 LEU A 106 22.463 40.984 14.566 1.00 0.00 H ATOM 1583 HD23 LEU A 106 21.139 41.545 13.515 1.00 0.00 H ATOM 1584 HD11 LEU A 106 22.971 40.927 10.341 1.00 0.00 H ATOM 1585 HD12 LEU A 106 21.845 39.773 11.099 1.00 0.00 H ATOM 1586 HD13 LEU A 106 21.434 41.505 11.031 1.00 0.00 H ATOM 1587 H LEU A 106 25.969 41.644 13.081 1.00 0.00 H ATOM 1588 N SER A 107 26.699 38.520 13.555 1.00 39.17 N ATOM 1589 CA SER A 107 27.406 37.247 13.657 1.00 40.67 C ATOM 1590 C SER A 107 27.842 36.948 15.087 1.00 40.44 C ATOM 1591 O SER A 107 28.011 35.791 15.473 1.00 39.99 O ATOM 1592 CB SER A 107 28.618 37.244 12.723 1.00 41.19 C ATOM 1593 OG SER A 107 29.414 38.398 12.921 1.00 42.49 O ATOM 1594 HA SER A 107 26.713 36.461 13.356 1.00 0.00 H ATOM 1595 HB2 SER A 107 28.272 37.222 11.690 1.00 0.00 H ATOM 1596 HB3 SER A 107 29.220 36.357 12.922 1.00 0.00 H ATOM 1597 HG SER A 107 28.873 39.206 12.737 1.00 0.00 H ATOM 1598 H SER A 107 27.128 39.311 13.034 1.00 0.00 H ATOM 1599 N GLN A 108 28.025 38.006 15.864 1.00 40.68 N ATOM 1600 CA GLN A 108 28.431 37.864 17.240 1.00 42.24 C ATOM 1601 C GLN A 108 27.181 37.478 18.027 1.00 41.94 C ATOM 1602 O GLN A 108 27.259 36.775 19.034 1.00 42.63 O ATOM 1603 CB GLN A 108 29.039 39.176 17.727 1.00 43.99 C ATOM 1604 CG GLN A 108 29.765 39.076 19.053 1.00 48.57 C ATOM 1605 CD GLN A 108 30.834 40.144 19.206 1.00 49.87 C ATOM 1606 OE1 GLN A 108 30.647 41.289 18.800 1.00 52.18 O ATOM 1607 NE2 GLN A 108 31.955 39.774 19.803 1.00 50.12 N ATOM 1608 HA GLN A 108 29.194 37.097 17.370 1.00 0.00 H ATOM 1609 HB2 GLN A 108 29.748 39.523 16.975 1.00 0.00 H ATOM 1610 HB3 GLN A 108 28.236 39.906 17.832 1.00 0.00 H ATOM 1611 HG2 GLN A 108 29.040 39.187 19.859 1.00 0.00 H ATOM 1612 HG3 GLN A 108 30.236 38.095 19.122 1.00 0.00 H ATOM 1613 HE22 GLN A 108 32.070 38.794 20.131 1.00 0.00 H ATOM 1614 HE21 GLN A 108 32.721 40.463 19.944 1.00 0.00 H ATOM 1615 H GLN A 108 27.873 38.958 15.473 1.00 0.00 H ATOM 1616 N LYS A 109 26.024 37.916 17.542 1.00 41.53 N ATOM 1617 CA LYS A 109 24.734 37.588 18.161 1.00 40.64 C ATOM 1618 C LYS A 109 24.506 36.079 17.982 1.00 40.12 C ATOM 1619 O LYS A 109 24.096 35.367 18.900 1.00 40.00 O ATOM 1620 CB LYS A 109 23.634 38.389 17.456 1.00 42.33 C ATOM 1621 CG LYS A 109 22.193 38.166 17.904 1.00 44.01 C ATOM 1622 CD LYS A 109 21.277 39.007 16.996 1.00 45.94 C ATOM 1623 CE LYS A 109 19.786 38.760 17.209 1.00 47.03 C ATOM 1624 NZ LYS A 109 18.963 39.535 16.208 1.00 45.68 N ATOM 1625 HA LYS A 109 24.721 37.839 19.222 1.00 0.00 H ATOM 1626 HB2 LYS A 109 23.859 39.446 17.599 1.00 0.00 H ATOM 1627 HB3 LYS A 109 23.686 38.148 16.394 1.00 0.00 H ATOM 1628 HG2 LYS A 109 21.936 37.111 17.813 1.00 0.00 H ATOM 1629 HG3 LYS A 109 22.075 38.480 18.941 1.00 0.00 H ATOM 1630 HD2 LYS A 109 21.480 40.061 17.187 1.00 0.00 H ATOM 1631 HD3 LYS A 109 21.517 38.775 15.959 1.00 0.00 H ATOM 1632 HE2 LYS A 109 19.512 39.074 18.216 1.00 0.00 H ATOM 1633 HE3 LYS A 109 19.580 37.696 17.093 1.00 0.00 H ATOM 1634 HZ1 LYS A 109 19.153 40.552 16.318 1.00 0.00 H ATOM 1635 HZ2 LYS A 109 19.218 39.235 15.245 1.00 0.00 H ATOM 1636 HZ3 LYS A 109 17.953 39.350 16.374 1.00 0.00 H ATOM 1637 H LYS A 109 26.033 38.514 16.691 1.00 0.00 H ATOM 1638 N LEU A 110 24.789 35.603 16.778 1.00 38.30 N ATOM 1639 CA LEU A 110 24.645 34.195 16.425 1.00 36.88 C ATOM 1640 C LEU A 110 25.615 33.335 17.236 1.00 36.87 C ATOM 1641 O LEU A 110 25.296 32.218 17.666 1.00 36.09 O ATOM 1642 CB LEU A 110 24.947 34.022 14.932 1.00 37.63 C ATOM 1643 CG LEU A 110 25.060 32.574 14.481 1.00 37.83 C ATOM 1644 CD1 LEU A 110 23.658 31.975 14.454 1.00 37.68 C ATOM 1645 CD2 LEU A 110 25.720 32.498 13.103 1.00 37.67 C ATOM 1646 HA LEU A 110 23.626 33.877 16.646 1.00 0.00 H ATOM 1647 HB2 LEU A 110 24.146 34.495 14.364 1.00 0.00 H ATOM 1648 HB3 LEU A 110 25.890 34.523 14.714 1.00 0.00 H ATOM 1649 HG LEU A 110 25.685 32.008 15.172 1.00 0.00 H ATOM 1650 HD21 LEU A 110 25.117 33.050 12.382 1.00 0.00 H ATOM 1651 HD22 LEU A 110 26.717 32.934 13.155 1.00 0.00 H ATOM 1652 HD23 LEU A 110 25.794 31.455 12.794 1.00 0.00 H ATOM 1653 HD11 LEU A 110 23.224 32.025 15.452 1.00 0.00 H ATOM 1654 HD12 LEU A 110 23.037 32.538 13.758 1.00 0.00 H ATOM 1655 HD13 LEU A 110 23.715 30.935 14.133 1.00 0.00 H ATOM 1656 H LEU A 110 25.130 36.264 16.051 1.00 0.00 H ATOM 1657 N GLN A 111 26.812 33.873 17.421 1.00 37.13 N ATOM 1658 CA GLN A 111 27.868 33.206 18.157 1.00 38.75 C ATOM 1659 C GLN A 111 27.378 32.877 19.557 1.00 39.18 C ATOM 1660 O GLN A 111 27.398 31.720 19.974 1.00 39.22 O ATOM 1661 CB GLN A 111 29.074 34.133 18.229 1.00 40.65 C ATOM 1662 CG GLN A 111 30.267 33.601 19.007 1.00 43.91 C ATOM 1663 CD GLN A 111 31.310 34.680 19.192 1.00 45.48 C ATOM 1664 OE1 GLN A 111 31.367 35.627 18.413 1.00 44.42 O ATOM 1665 NE2 GLN A 111 32.145 34.543 20.222 1.00 46.88 N ATOM 1666 HA GLN A 111 28.149 32.280 17.656 1.00 0.00 H ATOM 1667 HB2 GLN A 111 29.402 34.337 17.210 1.00 0.00 H ATOM 1668 HB3 GLN A 111 28.755 35.063 18.699 1.00 0.00 H ATOM 1669 HG2 GLN A 111 29.932 33.256 19.985 1.00 0.00 H ATOM 1670 HG3 GLN A 111 30.708 32.767 18.461 1.00 0.00 H ATOM 1671 HE22 GLN A 111 32.059 33.723 20.856 1.00 0.00 H ATOM 1672 HE21 GLN A 111 32.883 35.256 20.392 1.00 0.00 H ATOM 1673 H GLN A 111 27.002 34.814 17.021 1.00 0.00 H ATOM 1674 N MET A 112 26.918 33.906 20.261 1.00 40.70 N ATOM 1675 CA MET A 112 26.423 33.756 21.629 1.00 41.64 C ATOM 1676 C MET A 112 25.193 32.869 21.753 1.00 41.54 C ATOM 1677 O MET A 112 25.087 32.090 22.696 1.00 40.93 O ATOM 1678 CB MET A 112 26.134 35.130 22.227 1.00 43.04 C ATOM 1679 CG MET A 112 27.337 36.050 22.154 1.00 47.68 C ATOM 1680 SD MET A 112 28.876 35.218 22.681 1.00 48.61 S ATOM 1681 CE MET A 112 29.149 35.988 24.280 1.00 51.07 C ATOM 1682 HA MET A 112 27.214 33.252 22.184 1.00 0.00 H ATOM 1683 HB2 MET A 112 25.309 35.586 21.679 1.00 0.00 H ATOM 1684 HB3 MET A 112 25.849 35.006 23.272 1.00 0.00 H ATOM 1685 HG2 MET A 112 27.162 36.909 22.802 1.00 0.00 H ATOM 1686 HG3 MET A 112 27.456 36.391 21.126 1.00 0.00 H ATOM 1687 HE1 MET A 112 29.258 37.065 24.150 1.00 0.00 H ATOM 1688 HE2 MET A 112 28.298 35.784 24.930 1.00 0.00 H ATOM 1689 HE3 MET A 112 30.056 35.581 24.728 1.00 0.00 H ATOM 1690 H MET A 112 26.910 34.850 19.824 1.00 0.00 H ATOM 1691 N ILE A 113 24.265 32.971 20.809 1.00 40.58 N ATOM 1692 CA ILE A 113 23.065 32.146 20.863 1.00 41.52 C ATOM 1693 C ILE A 113 23.370 30.665 20.615 1.00 42.23 C ATOM 1694 O ILE A 113 22.802 29.782 21.268 1.00 42.07 O ATOM 1695 CB ILE A 113 22.005 32.614 19.830 1.00 41.56 C ATOM 1696 CG1 ILE A 113 21.626 34.073 20.097 1.00 41.50 C ATOM 1697 CG2 ILE A 113 20.779 31.692 19.880 1.00 40.88 C ATOM 1698 CD1 ILE A 113 21.262 34.369 21.538 1.00 42.92 C ATOM 1699 HA ILE A 113 22.669 32.261 21.872 1.00 0.00 H ATOM 1700 HB ILE A 113 22.424 32.555 18.825 1.00 0.00 H ATOM 1701 HG12 ILE A 113 22.473 34.702 19.822 1.00 0.00 H ATOM 1702 HG13 ILE A 113 20.770 34.324 19.470 1.00 0.00 H ATOM 1703 HD11 ILE A 113 20.407 33.758 21.828 1.00 0.00 H ATOM 1704 HD12 ILE A 113 22.111 34.137 22.181 1.00 0.00 H ATOM 1705 HD13 ILE A 113 21.007 35.424 21.638 1.00 0.00 H ATOM 1706 HG21 ILE A 113 21.083 30.672 19.645 1.00 0.00 H ATOM 1707 HG22 ILE A 113 20.344 31.722 20.879 1.00 0.00 H ATOM 1708 HG23 ILE A 113 20.042 32.030 19.151 1.00 0.00 H ATOM 1709 H ILE A 113 24.395 33.644 20.027 1.00 0.00 H ATOM 1710 N LEU A 114 24.269 30.389 19.676 1.00 42.58 N ATOM 1711 CA LEU A 114 24.623 29.009 19.373 1.00 43.58 C ATOM 1712 C LEU A 114 25.465 28.400 20.500 1.00 45.42 C ATOM 1713 O LEU A 114 25.426 27.182 20.727 1.00 45.37 O ATOM 1714 CB LEU A 114 25.366 28.927 18.035 1.00 43.02 C ATOM 1715 CG LEU A 114 24.508 29.170 16.783 1.00 42.00 C ATOM 1716 CD1 LEU A 114 25.373 29.008 15.541 1.00 40.49 C ATOM 1717 CD2 LEU A 114 23.316 28.191 16.758 1.00 40.97 C ATOM 1718 HA LEU A 114 23.702 28.431 19.291 1.00 0.00 H ATOM 1719 HB2 LEU A 114 26.161 29.672 18.047 1.00 0.00 H ATOM 1720 HB3 LEU A 114 25.803 27.932 17.954 1.00 0.00 H ATOM 1721 HG LEU A 114 24.109 30.184 16.803 1.00 0.00 H ATOM 1722 HD21 LEU A 114 23.689 27.167 16.743 1.00 0.00 H ATOM 1723 HD22 LEU A 114 22.704 28.343 17.647 1.00 0.00 H ATOM 1724 HD23 LEU A 114 22.716 28.374 15.866 1.00 0.00 H ATOM 1725 HD11 LEU A 114 26.189 29.731 15.571 1.00 0.00 H ATOM 1726 HD12 LEU A 114 25.782 27.998 15.514 1.00 0.00 H ATOM 1727 HD13 LEU A 114 24.766 29.180 14.652 1.00 0.00 H ATOM 1728 H LEU A 114 24.723 31.165 19.153 1.00 0.00 H ATOM 1729 N LYS A 115 26.223 29.250 21.192 1.00 46.53 N ATOM 1730 CA LYS A 115 27.045 28.815 22.323 1.00 47.91 C ATOM 1731 C LYS A 115 26.098 28.226 23.366 1.00 48.52 C ATOM 1732 O LYS A 115 26.349 27.155 23.918 1.00 49.54 O ATOM 1733 CB LYS A 115 27.779 30.002 22.947 1.00 48.32 C ATOM 1734 CG LYS A 115 28.947 30.540 22.153 1.00 49.18 C ATOM 1735 CD LYS A 115 30.249 29.842 22.524 1.00 50.72 C ATOM 1736 CE LYS A 115 31.399 30.852 22.552 1.00 51.75 C ATOM 1737 NZ LYS A 115 31.434 31.707 21.323 1.00 51.54 N ATOM 1738 HA LYS A 115 27.785 28.089 21.987 1.00 0.00 H ATOM 1739 HB2 LYS A 115 27.060 30.811 23.076 1.00 0.00 H ATOM 1740 HB3 LYS A 115 28.152 29.690 23.923 1.00 0.00 H ATOM 1741 HG2 LYS A 115 28.754 30.387 21.091 1.00 0.00 H ATOM 1742 HG3 LYS A 115 29.049 31.607 22.352 1.00 0.00 H ATOM 1743 HD2 LYS A 115 30.146 29.386 23.508 1.00 0.00 H ATOM 1744 HD3 LYS A 115 30.466 29.069 21.787 1.00 0.00 H ATOM 1745 HE2 LYS A 115 32.341 30.309 22.629 1.00 0.00 H ATOM 1746 HE3 LYS A 115 31.280 31.495 23.424 1.00 0.00 H ATOM 1747 HZ1 LYS A 115 31.555 31.103 20.485 1.00 0.00 H ATOM 1748 HZ2 LYS A 115 30.542 32.236 21.244 1.00 0.00 H ATOM 1749 HZ3 LYS A 115 32.229 32.374 21.389 1.00 0.00 H ATOM 1750 H LYS A 115 26.231 30.254 20.920 1.00 0.00 H ATOM 1751 N ASP A 116 25.009 28.937 23.635 1.00 48.89 N ATOM 1752 CA ASP A 116 24.033 28.467 24.605 1.00 48.72 C ATOM 1753 C ASP A 116 23.608 27.062 24.263 1.00 49.13 C ATOM 1754 O ASP A 116 23.655 26.162 25.103 1.00 48.35 O ATOM 1755 CB ASP A 116 22.793 29.358 24.618 1.00 49.68 C ATOM 1756 CG ASP A 116 23.080 30.736 25.136 1.00 51.01 C ATOM 1757 OD1 ASP A 116 24.047 30.881 25.916 1.00 52.78 O ATOM 1758 OD2 ASP A 116 22.331 31.669 24.779 1.00 52.30 O ATOM 1759 HA ASP A 116 24.503 28.495 25.588 1.00 0.00 H ATOM 1760 HB2 ASP A 116 22.410 29.440 23.601 1.00 0.00 H ATOM 1761 HB3 ASP A 116 22.037 28.896 25.253 1.00 0.00 H ATOM 1762 H ASP A 116 24.852 29.841 23.146 1.00 0.00 H ATOM 1763 N TYR A 117 23.191 26.871 23.019 1.00 48.78 N ATOM 1764 CA TYR A 117 22.746 25.562 22.592 1.00 49.87 C ATOM 1765 C TYR A 117 23.880 24.554 22.499 1.00 50.49 C ATOM 1766 O TYR A 117 23.645 23.347 22.420 1.00 51.27 O ATOM 1767 CB TYR A 117 21.999 25.675 21.264 1.00 49.61 C ATOM 1768 CG TYR A 117 20.697 26.413 21.423 1.00 49.99 C ATOM 1769 CD1 TYR A 117 20.663 27.808 21.497 1.00 49.41 C ATOM 1770 CD2 TYR A 117 19.499 25.713 21.584 1.00 50.42 C ATOM 1771 CE1 TYR A 117 19.471 28.484 21.736 1.00 49.76 C ATOM 1772 CE2 TYR A 117 18.302 26.378 21.824 1.00 49.78 C ATOM 1773 CZ TYR A 117 18.292 27.758 21.899 1.00 50.36 C ATOM 1774 OH TYR A 117 17.104 28.402 22.153 1.00 50.30 O ATOM 1775 HA TYR A 117 22.067 25.183 23.356 1.00 0.00 H ATOM 1776 HB3 TYR A 117 21.795 24.673 20.886 1.00 0.00 H ATOM 1777 HB2 TYR A 117 22.625 26.210 20.550 1.00 0.00 H ATOM 1778 HD2 TYR A 117 19.503 24.625 21.520 1.00 0.00 H ATOM 1779 HE2 TYR A 117 17.378 25.815 21.952 1.00 0.00 H ATOM 1780 HE1 TYR A 117 19.459 29.572 21.795 1.00 0.00 H ATOM 1781 HD1 TYR A 117 21.585 28.375 21.365 1.00 0.00 H ATOM 1782 HH TYR A 117 17.258 29.380 22.176 1.00 0.00 H ATOM 1783 H TYR A 117 23.184 27.665 22.347 1.00 0.00 H ATOM 1784 N ALA A 118 25.112 25.049 22.528 1.00 51.26 N ATOM 1785 CA ALA A 118 26.281 24.175 22.466 1.00 52.33 C ATOM 1786 C ALA A 118 26.557 23.585 23.855 1.00 52.87 C ATOM 1787 O ALA A 118 27.697 23.264 24.187 1.00 54.20 O ATOM 1788 CB ALA A 118 27.498 24.956 21.985 1.00 51.78 C ATOM 1789 HA ALA A 118 26.083 23.367 21.762 1.00 0.00 H ATOM 1790 HB1 ALA A 118 27.300 25.359 20.992 1.00 0.00 H ATOM 1791 HB2 ALA A 118 27.700 25.774 22.677 1.00 0.00 H ATOM 1792 HB3 ALA A 118 28.361 24.292 21.944 1.00 0.00 H ATOM 1793 H ALA A 118 25.247 26.078 22.596 1.00 0.00 H ATOM 1794 N LYS A 119 25.517 23.456 24.670 1.00 52.04 N ATOM 1795 CA LYS A 119 25.691 22.908 26.005 1.00 50.82 C ATOM 1796 C LYS A 119 24.384 22.544 26.690 1.00 50.23 C ATOM 1797 O LYS A 119 24.269 22.623 27.911 1.00 49.22 O ATOM 1798 CB LYS A 119 26.503 23.878 26.867 1.00 50.74 C ATOM 1799 CG LYS A 119 26.070 25.316 26.816 1.00 50.29 C ATOM 1800 CD LYS A 119 27.190 26.193 27.347 1.00 50.67 C ATOM 1801 CE LYS A 119 26.905 27.669 27.110 1.00 50.73 C ATOM 1802 NZ LYS A 119 28.014 28.536 27.603 1.00 50.37 N ATOM 1803 HA LYS A 119 26.237 21.971 25.889 1.00 0.00 H ATOM 1804 HB2 LYS A 119 26.434 23.544 27.902 1.00 0.00 H ATOM 1805 HB3 LYS A 119 27.541 23.829 26.539 1.00 0.00 H ATOM 1806 HG2 LYS A 119 25.846 25.594 25.786 1.00 0.00 H ATOM 1807 HG3 LYS A 119 25.179 25.451 27.429 1.00 0.00 H ATOM 1808 HD2 LYS A 119 27.298 26.021 28.418 1.00 0.00 H ATOM 1809 HD3 LYS A 119 28.118 25.926 26.842 1.00 0.00 H ATOM 1810 HE2 LYS A 119 25.987 27.939 27.632 1.00 0.00 H ATOM 1811 HE3 LYS A 119 26.776 27.836 26.041 1.00 0.00 H ATOM 1812 HZ1 LYS A 119 28.140 28.388 28.625 1.00 0.00 H ATOM 1813 HZ2 LYS A 119 28.893 28.289 27.105 1.00 0.00 H ATOM 1814 HZ3 LYS A 119 27.780 29.533 27.422 1.00 0.00 H ATOM 1815 H LYS A 119 24.571 23.749 24.351 1.00 0.00 H ATOM 1816 N LEU A 120 23.409 22.135 25.884 1.00 49.69 N ATOM 1817 CA LEU A 120 22.101 21.729 26.376 1.00 49.57 C ATOM 1818 C LEU A 120 21.887 20.241 26.183 1.00 49.73 C ATOM 1819 O LEU A 120 20.941 19.693 26.786 1.00 49.82 O ATOM 1820 CB LEU A 120 20.994 22.498 25.662 1.00 48.62 C ATOM 1821 CG LEU A 120 20.719 23.879 26.252 1.00 48.67 C ATOM 1822 CD1 LEU A 120 19.467 24.459 25.617 1.00 49.10 C ATOM 1823 CD2 LEU A 120 20.538 23.755 27.770 1.00 48.16 C ATOM 1824 HA LEU A 120 22.065 21.956 27.442 1.00 0.00 H ATOM 1825 OXT LEU A 120 22.667 19.652 25.416 1.00 50.63 O ATOM 1826 HB2 LEU A 120 21.281 22.622 24.618 1.00 0.00 H ATOM 1827 HB3 LEU A 120 20.077 21.912 25.719 1.00 0.00 H ATOM 1828 HG LEU A 120 21.558 24.544 26.048 1.00 0.00 H ATOM 1829 HD21 LEU A 120 19.698 23.093 27.982 1.00 0.00 H ATOM 1830 HD22 LEU A 120 21.446 23.344 28.211 1.00 0.00 H ATOM 1831 HD23 LEU A 120 20.342 24.740 28.193 1.00 0.00 H ATOM 1832 HD11 LEU A 120 19.614 24.545 24.540 1.00 0.00 H ATOM 1833 HD12 LEU A 120 18.621 23.802 25.818 1.00 0.00 H ATOM 1834 HD13 LEU A 120 19.271 25.445 26.038 1.00 0.00 H ATOM 1835 H LEU A 120 23.588 22.104 24.860 1.00 0.00 H TER 1836 LEU A 120 HETATM 1837 O HOH 1 22.595 28.053 -2.378 1.00 24.86 O HETATM 1838 O HOH 2 32.677 23.147 4.099 1.00 23.50 O HETATM 1839 O HOH 3 36.252 42.085 7.806 1.00 22.31 O HETATM 1840 O HOH 4 41.164 32.519 7.921 1.00 20.52 O HETATM 1841 O HOH 5 42.450 25.842 5.578 1.00 26.81 O HETATM 1842 O HOH 6 39.439 35.587 5.276 1.00 24.42 O HETATM 1843 O HOH 7 34.031 36.460 -0.689 1.00 22.35 O HETATM 1844 O HOH 8 39.773 36.098 2.189 1.00 23.56 O HETATM 1845 O HOH 9 18.478 32.502 -5.060 1.00 28.97 O HETATM 1846 O HOH 10 21.295 32.232 -4.535 1.00 29.96 O HETATM 1847 O HOH 11 36.550 29.881 19.781 1.00 34.62 O HETATM 1848 O HOH 12 28.035 34.667 -2.775 1.00 28.94 O HETATM 1849 O HOH 13 27.898 15.382 13.610 1.00 28.31 O HETATM 1850 O HOH 14 40.370 33.395 3.816 1.00 26.18 O HETATM 1851 O HOH 15 41.711 36.603 5.998 1.00 31.21 O HETATM 1852 O HOH 16 42.574 29.707 2.816 1.00 28.81 O HETATM 1853 O HOH 17 23.276 15.754 16.838 1.00 36.71 O HETATM 1854 O HOH 18 32.502 38.505 -0.480 1.00 34.93 O HETATM 1855 O HOH 19 18.363 34.237 2.127 1.00 28.97 O HETATM 1856 O HOH 20 42.556 40.443 6.244 1.00 33.84 O HETATM 1857 O HOH 21 38.882 41.055 9.043 1.00 30.96 O HETATM 1858 O HOH 22 43.650 20.608 18.633 1.00 35.17 O HETATM 1859 O HOH 23 38.580 32.385 -4.014 1.00 43.39 O HETATM 1860 O HOH 24 33.778 39.445 -3.046 1.00 36.39 O HETATM 1861 O HOH 25 30.326 45.898 7.080 1.00 40.42 O HETATM 1862 O HOH 26 43.933 27.554 3.981 1.00 39.12 O HETATM 1863 O HOH 27 26.267 39.853 3.801 1.00 32.55 O HETATM 1864 O HOH 28 42.433 33.507 19.991 1.00 31.88 O HETATM 1865 O HOH 29 27.623 37.421 0.408 1.00 31.97 O HETATM 1866 O HOH 30 28.950 23.808 0.635 1.00 33.56 O HETATM 1867 O HOH 31 29.850 38.234 -0.939 1.00 43.76 O HETATM 1868 O HOH 32 40.656 31.564 -6.065 1.00 34.80 O HETATM 1869 O HOH 33 18.711 22.506 7.318 1.00 33.94 O HETATM 1870 O HOH 34 29.730 25.188 -1.810 1.00 34.59 O HETATM 1871 O HOH 35 28.376 16.125 11.125 1.00 35.26 O HETATM 1872 O HOH 36 40.466 42.036 6.610 1.00 38.03 O HETATM 1873 O HOH 37 32.468 22.519 -1.735 1.00 43.81 O HETATM 1874 O HOH 38 14.872 33.455 4.815 1.00 39.73 O HETATM 1875 O HOH 39 42.777 33.212 5.776 1.00 37.43 O HETATM 1876 O HOH 40 22.675 17.563 8.096 1.00 41.00 O HETATM 1877 O HOH 41 47.352 40.742 11.831 1.00 37.21 O HETATM 1878 O HOH 42 44.126 35.371 18.146 1.00 38.84 O HETATM 1879 O HOH 43 41.148 35.561 -0.409 1.00 47.63 O HETATM 1880 O HOH 44 21.759 24.208 -1.692 1.00 46.44 O HETATM 1881 O HOH 45 43.697 39.411 4.183 1.00 35.46 O HETATM 1882 O HOH 46 18.725 24.212 -0.774 1.00 47.14 O HETATM 1883 O HOH 47 26.289 18.215 22.281 1.00 47.13 O HETATM 1884 O HOH 48 16.489 30.462 -5.194 1.00 39.27 O HETATM 1885 O HOH 49 15.771 22.911 10.420 1.00 34.80 O HETATM 1886 O HOH 50 42.555 21.453 20.720 1.00 43.71 O HETATM 1887 O HOH 51 46.212 25.481 8.429 1.00 53.68 O HETATM 1888 O HOH 52 17.028 38.736 7.285 1.00 46.11 O HETATM 1889 O HOH 53 30.688 23.131 -3.628 1.00 40.01 O HETATM 1890 O HOH 54 33.897 17.424 6.611 1.00 37.88 O HETATM 1891 O HOH 55 17.829 21.850 9.550 1.00 44.90 O HETATM 1892 O HOH 56 33.495 16.124 4.373 1.00 44.26 O HETATM 1893 O HOH 57 33.708 18.943 2.070 1.00 46.58 O HETATM 1894 O HOH 58 18.055 37.941 4.587 1.00 45.33 O HETATM 1895 O HOH 59 15.695 28.782 3.957 1.00 53.52 O HETATM 1896 O HOH 60 30.986 21.559 0.125 1.00 44.37 O HETATM 1897 O HOH 61 34.018 36.145 -3.311 1.00 51.55 O HETATM 1898 O HOH 62 45.944 37.981 9.279 1.00 48.49 O HETATM 1899 O HOH 63 36.143 29.359 -5.523 1.00 48.33 O HETATM 1900 O HOH 64 30.318 36.795 -3.238 1.00 51.25 O HETATM 1901 O HOH 65 20.584 15.886 16.257 1.00 44.33 O HETATM 1902 O HOH 66 15.783 30.381 26.230 1.00 49.88 O HETATM 1903 O HOH 67 11.306 21.777 15.500 1.00 55.58 O HETATM 1904 O HOH 68 45.598 27.684 19.857 1.00 51.48 O HETATM 1905 O HOH 69 42.779 25.162 -3.442 1.00 55.13 O HETATM 1906 O HOH 70 28.269 30.878 -5.770 1.00 46.36 O HETATM 1907 O HOH 71 19.810 18.521 18.769 1.00 46.33 O HETATM 1908 O HOH 72 24.978 36.007 -1.578 1.00 33.21 O HETATM 1909 O HOH 73 22.738 21.738 0.954 1.00 38.26 O HETATM 1910 O HOH 74 44.471 29.067 7.277 1.00 46.29 O HETATM 1911 O HOH 75 44.262 35.942 15.477 1.00 40.55 O HETATM 1912 O HOH 76 35.126 36.522 22.105 1.00 44.39 O HETATM 1913 O HOH 77 11.877 35.880 11.778 1.00 53.54 O HETATM 1914 O HOH 78 40.855 22.727 21.587 1.00 47.88 O HETATM 1915 O HOH 79 10.475 30.389 15.803 1.00 45.85 O HETATM 1916 O HOH 80 20.898 43.411 8.829 1.00 39.45 O HETATM 1917 O HOH 81 13.413 31.158 21.771 1.00 47.38 O HETATM 1918 O HOH 82 30.381 15.776 2.613 1.00 51.46 O HETATM 1919 O HOH 83 25.319 18.762 2.953 1.00 41.88 O HETATM 1920 O HOH 84 29.508 18.926 21.255 1.00 66.55 O HETATM 1921 O HOH 85 41.161 24.406 23.478 1.00 61.66 O HETATM 1922 O HOH 86 20.958 20.513 6.332 1.00 62.30 O HETATM 1923 O HOH 87 45.639 35.895 7.449 1.00 53.53 O HETATM 1924 O HOH 88 45.688 21.769 21.883 1.00 50.83 O HETATM 1925 O HOH 89 17.785 31.457 3.226 1.00 42.40 O HETATM 1926 O HOH 90 36.259 22.502 -3.194 1.00 48.40 O HETATM 1927 O HOH 91 38.725 18.305 0.721 1.00 57.76 O HETATM 1928 O HOH 92 24.040 44.112 14.572 1.00 43.00 O HETATM 1929 O HOH 93 31.974 35.053 -4.498 1.00 56.07 O HETATM 1930 O HOH 94 43.820 23.927 6.067 1.00 53.32 O HETATM 1931 O HOH 95 35.440 21.547 22.881 1.00 61.23 O HETATM 1932 O HOH 96 39.731 39.464 24.886 1.00 48.03 O HETATM 1933 O HOH 97 47.513 17.336 9.784 1.00 55.82 O HETATM 1934 O HOH 98 42.406 27.322 -5.328 1.00 59.54 O HETATM 1935 O HOH 99 44.977 37.933 18.480 1.00 50.32 O HETATM 1936 O HOH 100 30.117 34.475 -7.273 1.00 58.76 O HETATM 1937 O HOH 101 44.001 36.829 3.814 1.00 58.82 O HETATM 1938 O HOH 102 38.102 25.379 -4.817 1.00 56.40 O HETATM 1939 O HOH 103 33.526 21.702 -4.831 1.00 63.08 O HETATM 1940 O HOH 104 40.893 21.298 4.839 1.00 51.40 O HETATM 1941 O HOH 105 29.483 38.784 -4.601 1.00 60.76 O HETATM 1942 O HOH 106 43.148 33.503 23.068 1.00 51.75 O HETATM 1943 O HOH 107 26.161 16.803 24.525 1.00 46.90 O HETATM 1944 O HOH 108 39.059 22.260 -1.148 1.00 48.52 O HETATM 1945 O HOH 109 16.992 19.179 20.350 1.00 63.75 O HETATM 1946 O HOH 110 45.641 26.140 2.597 1.00 50.95 O HETATM 1947 O HOH 111 12.737 20.465 11.671 1.00 56.80 O HETATM 1948 O HOH 112 44.707 31.652 4.357 1.00 48.89 O HETATM 1949 O HOH 113 28.667 36.862 -5.803 1.00 64.74 O HETATM 1950 O HOH 114 45.870 34.241 5.621 1.00 50.68 O HETATM 1951 O HOH 115 12.648 36.073 14.650 1.00 48.23 O HETATM 1952 O HOH 116 21.401 30.745 27.619 1.00 64.25 O HETATM 1953 O HOH 117 19.840 27.237 -2.626 1.00 42.08 O HETATM 1954 O HOH 118 25.314 24.341 17.768 1.00 58.30 O HETATM 1955 O HOH 119 21.198 20.513 20.132 1.00 57.82 O HETATM 1956 O HOH 120 41.621 37.017 26.395 1.00 57.19 O HETATM 1957 O HOH 121 46.787 36.494 24.750 1.00 56.66 O HETATM 1958 O HOH 122 14.227 27.036 3.093 1.00 63.39 O HETATM 1959 O HOH 123 27.164 17.256 -0.296 1.00 64.17 O HETATM 1960 O HOH 124 37.824 46.113 11.216 1.00 49.54 O HETATM 1961 O HOH 125 38.261 28.676 24.974 1.00 56.29 O HETATM 1962 O HOH 126 27.185 42.073 2.949 1.00 57.96 O HETATM 1963 C5 OXN A 127 29.553 28.830 15.944 1.00 -0.07 C HETATM 1964 C6 OXN A 127 29.843 29.254 14.472 1.00 -0.05 C HETATM 1965 C7 OXN A 127 28.537 29.209 13.682 1.00 -0.09 C HETATM 1966 H15 OXN A 127 27.811 29.902 14.133 1.00 0.01 H HETATM 1967 H16 OXN A 127 28.130 28.187 13.704 1.00 0.01 H HETATM 1968 H17 OXN A 127 28.728 29.506 12.640 1.00 0.01 H HETATM 1969 C8 OXN A 127 30.799 28.277 13.798 1.00 -0.09 C HETATM 1970 H12 OXN A 127 30.985 28.601 12.763 1.00 0.01 H HETATM 1971 H13 OXN A 127 30.353 27.272 13.793 1.00 0.01 H HETATM 1972 H14 OXN A 127 31.750 28.253 14.351 1.00 0.01 H HETATM 1973 C9 OXN A 127 30.416 30.695 14.388 1.00 -0.06 C HETATM 1974 C14 OXN A 127 31.797 30.926 14.076 1.00 -0.05 C HETATM 1975 C13 OXN A 127 32.341 32.267 14.015 1.00 0.00 C HETATM 1976 C12 OXN A 127 31.462 33.324 14.271 1.00 0.13 C HETATM 1977 C11 OXN A 127 30.100 33.177 14.586 1.00 0.00 C HETATM 1978 C10 OXN A 127 29.579 31.834 14.642 1.00 -0.05 C HETATM 1979 H18 OXN A 127 28.533 31.681 14.881 1.00 0.08 H HETATM 1980 H19 OXN A 127 29.468 34.037 14.779 1.00 0.07 H HETATM 1981 O15 OXN A 127 31.987 34.666 14.120 1.00 -0.29 O HETATM 1982 C16 OXN A 127 31.763 35.509 15.259 1.00 0.10 C HETATM 1983 C17 OXN A 127 31.556 36.942 14.809 1.00 0.08 C HETATM 1984 O18 OXN A 127 32.801 37.648 14.791 1.00 -0.37 O HETATM 1985 C19 OXN A 127 32.672 38.927 14.158 1.00 0.07 C HETATM 1986 C20 OXN A 127 33.610 39.930 14.801 1.00 0.07 C HETATM 1987 O21 OXN A 127 32.943 40.631 15.851 1.00 -0.38 O HETATM 1988 C22 OXN A 127 33.526 41.912 16.106 1.00 0.07 C HETATM 1989 C23 OXN A 127 32.896 42.539 17.349 1.00 0.07 C HETATM 1990 O24 OXN A 127 33.558 42.070 18.524 1.00 -0.38 O HETATM 1991 C25 OXN A 127 33.305 42.905 19.653 1.00 0.04 C HETATM 1992 H34 OXN A 127 33.834 42.505 20.531 1.00 0.05 H HETATM 1993 H35 OXN A 127 32.224 42.930 19.856 1.00 0.05 H HETATM 1994 H36 OXN A 127 33.662 43.924 19.443 1.00 0.05 H HETATM 1995 H32 OXN A 127 31.832 42.263 17.396 1.00 0.06 H HETATM 1996 H33 OXN A 127 32.989 43.633 17.291 1.00 0.06 H HETATM 1997 H30 OXN A 127 33.354 42.569 15.241 1.00 0.06 H HETATM 1998 H31 OXN A 127 34.608 41.794 16.267 1.00 0.06 H HETATM 1999 H28 OXN A 127 33.947 40.650 14.041 1.00 0.06 H HETATM 2000 H29 OXN A 127 34.480 39.399 15.215 1.00 0.06 H HETATM 2001 H26 OXN A 127 31.636 39.281 14.263 1.00 0.06 H HETATM 2002 H27 OXN A 127 32.920 38.830 13.091 1.00 0.06 H HETATM 2003 H24 OXN A 127 30.866 37.443 15.504 1.00 0.06 H HETATM 2004 H25 OXN A 127 31.124 36.945 13.797 1.00 0.06 H HETATM 2005 H22 OXN A 127 32.636 35.459 15.927 1.00 0.07 H HETATM 2006 H23 OXN A 127 30.869 35.163 15.798 1.00 0.07 H HETATM 2007 H20 OXN A 127 33.385 32.444 13.781 1.00 0.07 H HETATM 2008 H21 OXN A 127 32.446 30.080 13.882 1.00 0.08 H HETATM 2009 C1 OXN A 127 30.289 28.790 17.273 1.00 -0.05 C HETATM 2010 C2 OXN A 127 31.054 30.057 17.710 1.00 -0.06 C HETATM 2011 H9 OXN A 127 31.759 30.351 16.919 1.00 0.02 H HETATM 2012 H10 OXN A 127 31.609 29.849 18.637 1.00 0.02 H HETATM 2013 H11 OXN A 127 30.339 30.874 17.886 1.00 0.02 H HETATM 2014 C4 OXN A 127 31.309 27.651 17.189 1.00 -0.06 C HETATM 2015 H6 OXN A 127 32.025 27.859 16.381 1.00 0.02 H HETATM 2016 H7 OXN A 127 30.787 26.706 16.982 1.00 0.02 H HETATM 2017 H8 OXN A 127 31.848 27.570 18.145 1.00 0.02 H HETATM 2018 C3 OXN A 127 29.327 28.435 18.415 1.00 -0.06 C HETATM 2019 H3 OXN A 127 29.880 28.412 19.366 1.00 0.02 H HETATM 2020 H4 OXN A 127 28.881 27.447 18.226 1.00 0.02 H HETATM 2021 H5 OXN A 127 28.531 29.192 18.472 1.00 0.02 H HETATM 2022 H1 OXN A 127 29.245 27.781 15.822 1.00 0.02 H HETATM 2023 H2 OXN A 127 28.674 29.444 16.189 1.00 0.02 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 1963 1964 2009 2022 2023 CONECT 1964 1963 1965 1969 1973 CONECT 1965 1964 1966 1967 1968 CONECT 1966 1965 CONECT 1967 1965 CONECT 1968 1965 CONECT 1969 1964 1970 1971 1972 CONECT 1970 1969 CONECT 1971 1969 CONECT 1972 1969 CONECT 1973 1964 1974 1978 CONECT 1974 1973 1975 2008 CONECT 1975 1974 1976 2007 CONECT 1976 1975 1977 1981 CONECT 1977 1976 1978 1980 CONECT 1978 1973 1977 1979 CONECT 1979 1978 CONECT 1980 1977 CONECT 1981 1976 1982 CONECT 1982 1981 1983 2005 2006 CONECT 1983 1982 1984 2003 2004 CONECT 1984 1983 1985 CONECT 1985 1984 1986 2001 2002 CONECT 1986 1985 1987 1999 2000 CONECT 1987 1986 1988 CONECT 1988 1987 1989 1997 1998 CONECT 1989 1988 1990 1995 1996 CONECT 1990 1989 1991 CONECT 1991 1990 1992 1993 1994 CONECT 1992 1991 CONECT 1993 1991 CONECT 1994 1991 CONECT 1995 1989 CONECT 1996 1989 CONECT 1997 1988 CONECT 1998 1988 CONECT 1999 1986 CONECT 2000 1986 CONECT 2001 1985 CONECT 2002 1985 CONECT 2003 1983 CONECT 2004 1983 CONECT 2005 1982 CONECT 2006 1982 CONECT 2007 1975 CONECT 2008 1974 CONECT 2009 1963 2010 2014 2018 CONECT 2010 2009 2011 2012 2013 CONECT 2011 2010 CONECT 2012 2010 CONECT 2013 2010 CONECT 2014 2009 2015 2016 2017 CONECT 2015 2014 CONECT 2016 2014 CONECT 2017 2014 CONECT 2018 2009 2019 2020 2021 CONECT 2019 2018 CONECT 2020 2018 CONECT 2021 2018 CONECT 2022 1963 CONECT 2023 1963 MASTER 0 0 0 0 0 0 0 0 2022 1 65 9 END
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Structure:
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Related entries of code: 1ikt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1ikt
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
estradiol 17 beta-dehydrogenase 4
Ligand Name
OXN
EC.Number
E.C.1.1.1.62
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=400uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. v313 pp. 1127-38, 2001
Ligand Properties
Formula
C
2
1
H
3
6
O
4
Molecular Weight
352.508
Exact Mass
352.261
No. of atoms
61
No. of bonds
61
Polar Surface Area
36.92
LOGP Value
4.85 (
Computed with XLOGP3
)
4.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
COCCOCCOCCOc1ccc(cc1)C(CC(C)(C)C)(C)C
InChI String
InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3
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):
P51659
Entrez Gene ID
NCBI Entrez Gene ID:
3295
ASD
Information of known allosteric effects of PDB entries
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