Browse entries in the PDBbind-CN Database
HEADER 1GYY_COMPLEX COMPND 1GYY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 76 PRO HIS ILE ASP ILE LYS CYS PHE PRO ARG GLU LEU ASP SEQRES 2 A 76 GLU GLN GLN LYS ALA ALA LEU ALA ALA ASP ILE THR ASP SEQRES 3 A 76 VAL ILE ILE ARG HIS LEU ASN SER LYS ASP SER SER ILE SEQRES 4 A 76 SER ILE ALA LEU GLN GLN ILE GLN PRO GLU SER TRP GLN SEQRES 5 A 76 ALA ILE TRP ASP ALA GLU ILE ALA PRO GLN MET GLU ALA SEQRES 6 A 76 LEU ILE LYS LYS PRO GLY TYR SER MET ASN ALA SEQRES 1 B 76 PRO HIS ILE ASP ILE LYS CYS PHE PRO ARG GLU LEU ASP SEQRES 2 B 76 GLU GLN GLN LYS ALA ALA LEU ALA ALA ASP ILE THR ASP SEQRES 3 B 76 VAL ILE ILE ARG HIS LEU ASN SER LYS ASP SER SER ILE SEQRES 4 B 76 SER ILE ALA LEU GLN GLN ILE GLN PRO GLU SER TRP GLN SEQRES 5 B 76 ALA ILE TRP ASP ALA GLU ILE ALA PRO GLN MET GLU ALA SEQRES 6 B 76 LEU ILE LYS LYS PRO GLY TYR SER MET ASN ALA HET FHC A 436 19 ATOM 1 N PRO A 1 13.119 4.270 -0.531 1.00 5.53 N ATOM 2 CA PRO A 1 13.212 3.489 0.706 1.00 4.66 C ATOM 3 C PRO A 1 12.000 3.726 1.569 1.00 3.88 C ATOM 4 O PRO A 1 11.385 4.795 1.507 1.00 3.40 O ATOM 5 CB PRO A 1 14.490 3.960 1.395 1.00 7.05 C ATOM 6 CG PRO A 1 15.286 4.604 0.289 1.00 6.84 C ATOM 7 CD PRO A 1 14.225 5.268 -0.533 1.00 7.71 C ATOM 8 HA PRO A 1 13.245 2.417 0.512 1.00 0.00 H ATOM 9 HD3 PRO A 1 13.907 6.206 -0.077 1.00 0.00 H ATOM 10 HD2 PRO A 1 14.578 5.459 -1.547 1.00 0.00 H ATOM 11 HG3 PRO A 1 15.826 3.858 -0.294 1.00 0.00 H ATOM 12 HG2 PRO A 1 15.992 5.334 0.685 1.00 0.00 H ATOM 13 HB2 PRO A 1 14.264 4.681 2.180 1.00 0.00 H ATOM 14 HB3 PRO A 1 15.033 3.117 1.823 1.00 0.00 H ATOM 15 N HIS A 2 11.708 2.768 2.446 1.00 3.21 N ATOM 16 CA HIS A 2 10.602 2.876 3.390 1.00 3.20 C ATOM 17 C HIS A 2 11.179 2.836 4.794 1.00 3.50 C ATOM 18 O HIS A 2 11.893 1.885 5.149 1.00 3.96 O ATOM 19 CB HIS A 2 9.535 1.783 3.191 1.00 3.26 C ATOM 20 CG HIS A 2 8.446 1.925 4.201 1.00 3.78 C ATOM 21 ND1 HIS A 2 7.553 2.972 4.156 1.00 3.53 N ATOM 22 CD2 HIS A 2 8.110 1.154 5.261 1.00 3.46 C ATOM 23 CE1 HIS A 2 6.738 2.857 5.194 1.00 3.28 C ATOM 24 NE2 HIS A 2 7.047 1.750 5.883 1.00 3.80 N ATOM 25 HA HIS A 2 10.083 3.819 3.218 1.00 0.00 H ATOM 26 HB2 HIS A 2 9.111 1.873 2.191 1.00 0.00 H ATOM 27 HB3 HIS A 2 10.000 0.803 3.300 1.00 0.00 H ATOM 28 HD2 HIS A 2 8.597 0.227 5.564 1.00 0.00 H ATOM 29 HE1 HIS A 2 5.940 3.555 5.448 1.00 0.00 H ATOM 30 H HIS A 2 12.292 1.908 2.458 1.00 0.00 H ATOM 31 N ILE A 3 10.930 3.845 5.600 1.00 3.01 N ATOM 32 CA ILE A 3 11.447 3.976 6.958 1.00 3.40 C ATOM 33 C ILE A 3 10.290 3.829 7.935 1.00 4.10 C ATOM 34 O ILE A 3 9.274 4.528 7.830 1.00 4.39 O ATOM 35 CB ILE A 3 12.187 5.307 7.177 1.00 4.11 C ATOM 36 CG1 ILE A 3 13.377 5.456 6.217 1.00 6.07 C ATOM 37 CG2 ILE A 3 12.750 5.384 8.593 1.00 4.17 C ATOM 38 CD1 ILE A 3 13.035 6.000 4.852 1.00 7.44 C ATOM 39 HA ILE A 3 12.182 3.189 7.128 1.00 0.00 H ATOM 40 HB ILE A 3 11.457 6.097 7.000 1.00 0.00 H ATOM 41 HG12 ILE A 3 14.100 6.129 6.677 1.00 0.00 H ATOM 42 HG13 ILE A 3 13.830 4.473 6.085 1.00 0.00 H ATOM 43 HD11 ILE A 3 12.323 5.334 4.365 1.00 0.00 H ATOM 44 HD12 ILE A 3 12.594 6.991 4.957 1.00 0.00 H ATOM 45 HD13 ILE A 3 13.942 6.067 4.251 1.00 0.00 H ATOM 46 HG21 ILE A 3 11.934 5.312 9.312 1.00 0.00 H ATOM 47 HG22 ILE A 3 13.448 4.562 8.750 1.00 0.00 H ATOM 48 HG23 ILE A 3 13.269 6.333 8.725 1.00 0.00 H ATOM 49 H ILE A 3 10.319 4.607 5.243 1.00 0.00 H ATOM 50 N ASP A 4 10.456 2.944 8.900 1.00 3.48 N ATOM 51 CA ASP A 4 9.468 2.731 9.951 1.00 3.18 C ATOM 52 C ASP A 4 10.066 3.117 11.300 1.00 2.95 C ATOM 53 O ASP A 4 11.130 2.604 11.646 1.00 3.68 O ATOM 54 CB ASP A 4 8.996 1.280 9.986 1.00 3.59 C ATOM 55 CG ASP A 4 7.887 1.048 10.983 1.00 4.58 C ATOM 56 OD1 ASP A 4 8.177 0.811 12.174 1.00 4.80 O ATOM 57 OD2 ASP A 4 6.702 1.098 10.610 1.00 7.26 O ATOM 58 HA ASP A 4 8.603 3.359 9.739 1.00 0.00 H ATOM 59 HB2 ASP A 4 8.635 1.007 8.994 1.00 0.00 H ATOM 60 HB3 ASP A 4 9.841 0.645 10.251 1.00 0.00 H ATOM 61 H ASP A 4 11.327 2.376 8.911 1.00 0.00 H ATOM 62 N ILE A 5 9.423 4.005 12.026 1.00 2.77 N ATOM 63 CA ILE A 5 9.908 4.466 13.333 1.00 3.09 C ATOM 64 C ILE A 5 8.897 4.015 14.383 1.00 3.25 C ATOM 65 O ILE A 5 7.730 4.396 14.301 1.00 3.77 O ATOM 66 CB ILE A 5 10.036 5.991 13.390 1.00 3.75 C ATOM 67 CG1 ILE A 5 11.022 6.484 12.320 1.00 4.57 C ATOM 68 CG2 ILE A 5 10.487 6.459 14.781 1.00 5.12 C ATOM 69 CD1 ILE A 5 10.957 7.964 12.047 1.00 4.75 C ATOM 70 HA ILE A 5 10.898 4.046 13.512 1.00 0.00 H ATOM 71 HB ILE A 5 9.053 6.418 13.191 1.00 0.00 H ATOM 72 HG12 ILE A 5 12.032 6.242 12.650 1.00 0.00 H ATOM 73 HG13 ILE A 5 10.809 5.956 11.391 1.00 0.00 H ATOM 74 HD11 ILE A 5 9.956 8.225 11.702 1.00 0.00 H ATOM 75 HD12 ILE A 5 11.181 8.511 12.963 1.00 0.00 H ATOM 76 HD13 ILE A 5 11.686 8.223 11.280 1.00 0.00 H ATOM 77 HG21 ILE A 5 9.755 6.143 15.524 1.00 0.00 H ATOM 78 HG22 ILE A 5 11.457 6.019 15.014 1.00 0.00 H ATOM 79 HG23 ILE A 5 10.568 7.546 14.789 1.00 0.00 H ATOM 80 H ILE A 5 8.533 4.398 11.659 1.00 0.00 H ATOM 81 N LYS A 6 9.382 3.201 15.328 1.00 3.15 N ATOM 82 CA LYS A 6 8.548 2.769 16.439 1.00 3.32 C ATOM 83 C LYS A 6 9.050 3.441 17.719 1.00 3.50 C ATOM 84 O LYS A 6 10.255 3.414 18.021 1.00 3.97 O ATOM 85 CB LYS A 6 8.542 1.244 16.636 1.00 4.16 C ATOM 86 CG LYS A 6 7.688 0.576 15.551 1.00 5.24 C ATOM 87 CD LYS A 6 7.727 -0.937 15.681 1.00 7.29 C ATOM 88 CE LYS A 6 6.872 -1.647 14.659 1.00 7.57 C ATOM 89 NZ LYS A 6 7.377 -1.590 13.275 1.00 8.08 N ATOM 90 HA LYS A 6 7.523 3.061 16.210 1.00 0.00 H ATOM 91 HB2 LYS A 6 9.563 0.868 16.574 1.00 0.00 H ATOM 92 HB3 LYS A 6 8.129 1.008 17.617 1.00 0.00 H ATOM 93 HG2 LYS A 6 6.657 0.916 15.649 1.00 0.00 H ATOM 94 HG3 LYS A 6 8.071 0.860 14.571 1.00 0.00 H ATOM 95 HD2 LYS A 6 8.758 -1.268 15.560 1.00 0.00 H ATOM 96 HD3 LYS A 6 7.374 -1.208 16.676 1.00 0.00 H ATOM 97 HE2 LYS A 6 5.880 -1.196 14.676 1.00 0.00 H ATOM 98 HE3 LYS A 6 6.798 -2.695 14.949 1.00 0.00 H ATOM 99 HZ1 LYS A 6 7.442 -0.597 12.972 1.00 0.00 H ATOM 100 HZ2 LYS A 6 8.319 -2.029 13.233 1.00 0.00 H ATOM 101 HZ3 LYS A 6 6.725 -2.104 12.648 1.00 0.00 H ATOM 102 H LYS A 6 10.367 2.873 15.267 1.00 0.00 H ATOM 103 N CYS A 7 8.136 3.990 18.514 1.00 3.49 N ATOM 104 CA CYS A 7 8.510 4.661 19.740 1.00 4.35 C ATOM 105 C CYS A 7 7.354 4.637 20.763 1.00 4.88 C ATOM 106 O CYS A 7 6.225 4.413 20.368 1.00 4.39 O ATOM 107 CB CYS A 7 8.898 6.119 19.447 1.00 5.27 C ATOM 108 SG CYS A 7 7.573 7.188 18.815 1.00 5.53 S ATOM 109 HA CYS A 7 9.363 4.131 20.164 1.00 0.00 H ATOM 110 HB2 CYS A 7 9.699 6.108 18.708 1.00 0.00 H ATOM 111 HB3 CYS A 7 9.267 6.558 20.374 1.00 0.00 H ATOM 112 HG CYS A 7 6.549 7.243 19.738 1.00 0.00 H ATOM 113 H CYS A 7 7.132 3.936 18.249 1.00 0.00 H ATOM 114 N PHE A 8 7.724 4.972 21.997 1.00 5.86 N ATOM 115 CA PHE A 8 6.701 5.110 23.041 1.00 7.55 C ATOM 116 C PHE A 8 5.858 6.345 22.740 1.00 9.16 C ATOM 117 O PHE A 8 6.291 7.278 22.070 1.00 8.44 O ATOM 118 CB PHE A 8 7.340 5.222 24.419 1.00 9.16 C ATOM 119 CG PHE A 8 8.058 4.023 24.966 1.00 10.32 C ATOM 120 CD1 PHE A 8 7.990 2.774 24.371 1.00 11.06 C ATOM 121 CD2 PHE A 8 8.807 4.140 26.140 1.00 12.03 C ATOM 122 CE1 PHE A 8 8.665 1.700 24.905 1.00 11.47 C ATOM 123 CE2 PHE A 8 9.462 3.058 26.678 1.00 12.66 C ATOM 124 CZ PHE A 8 9.405 1.826 26.062 1.00 12.59 C ATOM 125 HA PHE A 8 6.068 4.223 23.045 1.00 0.00 H ATOM 126 HB2 PHE A 8 8.060 6.039 24.376 1.00 0.00 H ATOM 127 HB3 PHE A 8 6.548 5.474 25.124 1.00 0.00 H ATOM 128 HD2 PHE A 8 8.873 5.107 26.638 1.00 0.00 H ATOM 129 HE2 PHE A 8 10.032 3.175 27.600 1.00 0.00 H ATOM 130 HZ PHE A 8 9.934 0.970 26.481 1.00 0.00 H ATOM 131 HE1 PHE A 8 8.614 0.733 24.405 1.00 0.00 H ATOM 132 HD1 PHE A 8 7.394 2.640 23.468 1.00 0.00 H ATOM 133 H PHE A 8 8.727 5.134 22.219 1.00 0.00 H ATOM 134 N PRO A 9 4.631 6.379 23.237 1.00 11.14 N ATOM 135 CA PRO A 9 3.735 7.488 22.949 1.00 12.66 C ATOM 136 C PRO A 9 4.221 8.837 23.438 1.00 13.75 C ATOM 137 O PRO A 9 4.848 8.986 24.484 1.00 14.44 O ATOM 138 CB PRO A 9 2.431 7.091 23.657 1.00 13.32 C ATOM 139 CG PRO A 9 2.511 5.601 23.746 1.00 13.54 C ATOM 140 CD PRO A 9 3.971 5.331 24.067 1.00 11.98 C ATOM 141 HA PRO A 9 3.639 7.631 21.873 1.00 0.00 H ATOM 142 HD3 PRO A 9 4.182 5.466 25.128 1.00 0.00 H ATOM 143 HD2 PRO A 9 4.271 4.328 23.763 1.00 0.00 H ATOM 144 HG3 PRO A 9 2.230 5.140 22.799 1.00 0.00 H ATOM 145 HG2 PRO A 9 1.864 5.224 24.538 1.00 0.00 H ATOM 146 HB2 PRO A 9 2.377 7.537 24.650 1.00 0.00 H ATOM 147 HB3 PRO A 9 1.563 7.399 23.074 1.00 0.00 H ATOM 148 N ARG A 10 3.955 9.844 22.618 1.00 14.83 N ATOM 149 CA ARG A 10 4.244 11.220 23.034 1.00 16.96 C ATOM 150 C ARG A 10 3.299 12.112 22.230 1.00 17.94 C ATOM 151 O ARG A 10 2.799 11.704 21.189 1.00 18.01 O ATOM 152 CB ARG A 10 5.692 11.629 22.870 1.00 17.77 C ATOM 153 CG ARG A 10 6.306 11.433 21.502 1.00 17.62 C ATOM 154 CD ARG A 10 7.246 10.254 21.473 1.00 17.27 C ATOM 155 NE ARG A 10 8.580 10.482 22.016 1.00 17.25 N ATOM 156 CZ ARG A 10 9.340 9.475 22.442 1.00 16.72 C ATOM 157 NH1 ARG A 10 10.567 9.684 22.940 1.00 18.03 N ATOM 158 NH2 ARG A 10 8.948 8.220 22.391 1.00 14.78 N ATOM 159 HA ARG A 10 4.079 11.319 24.107 1.00 0.00 H ATOM 160 HB2 ARG A 10 5.765 12.688 23.116 1.00 0.00 H ATOM 161 HB3 ARG A 10 6.281 11.050 23.582 1.00 0.00 H ATOM 162 HG2 ARG A 10 5.509 11.267 20.778 1.00 0.00 H ATOM 163 HG3 ARG A 10 6.859 12.332 21.231 1.00 0.00 H ATOM 164 HD2 ARG A 10 7.358 9.943 20.434 1.00 0.00 H ATOM 165 HD3 ARG A 10 6.787 9.448 22.045 1.00 0.00 H ATOM 166 HE ARG A 10 8.946 11.454 22.072 1.00 0.00 H ATOM 167 HH12 ARG A 10 11.140 8.880 23.266 1.00 0.00 H ATOM 168 HH11 ARG A 10 10.946 10.651 23.001 1.00 0.00 H ATOM 169 HH22 ARG A 10 9.575 7.465 22.735 1.00 0.00 H ATOM 170 HH21 ARG A 10 8.011 7.983 22.006 1.00 0.00 H ATOM 171 H ARG A 10 3.542 9.658 21.682 1.00 0.00 H ATOM 172 N GLU A 11 3.082 13.312 22.739 1.00 18.37 N ATOM 173 CA GLU A 11 2.261 14.288 22.022 1.00 18.14 C ATOM 174 C GLU A 11 3.067 14.836 20.855 1.00 17.43 C ATOM 175 O GLU A 11 4.141 15.416 21.045 1.00 18.49 O ATOM 176 CB GLU A 11 1.877 15.425 22.959 1.00 19.35 C ATOM 177 HA GLU A 11 1.352 13.811 21.656 1.00 0.00 H ATOM 178 HB2 GLU A 11 1.311 15.025 23.800 1.00 0.00 H ATOM 179 HB3 GLU A 11 2.780 15.913 23.326 1.00 0.00 H ATOM 180 H GLU A 11 3.499 13.565 23.658 1.00 0.00 H ATOM 181 N LEU A 12 2.625 14.606 19.634 1.00 15.64 N ATOM 182 CA LEU A 12 3.275 15.069 18.428 1.00 15.46 C ATOM 183 C LEU A 12 2.197 15.567 17.449 1.00 14.19 C ATOM 184 O LEU A 12 1.329 14.798 17.059 1.00 14.95 O ATOM 185 CB LEU A 12 4.108 13.996 17.754 1.00 16.09 C ATOM 186 CG LEU A 12 5.386 13.510 18.447 1.00 16.96 C ATOM 187 CD1 LEU A 12 5.888 12.275 17.700 1.00 18.16 C ATOM 188 CD2 LEU A 12 6.465 14.573 18.496 1.00 17.60 C ATOM 189 HA LEU A 12 3.958 15.870 18.709 1.00 0.00 H ATOM 190 HB2 LEU A 12 3.464 13.126 17.621 1.00 0.00 H ATOM 191 HB3 LEU A 12 4.400 14.383 16.778 1.00 0.00 H ATOM 192 HG LEU A 12 5.150 13.270 19.484 1.00 0.00 H ATOM 193 HD21 LEU A 12 6.727 14.870 17.480 1.00 0.00 H ATOM 194 HD22 LEU A 12 6.095 15.439 19.045 1.00 0.00 H ATOM 195 HD23 LEU A 12 7.346 14.172 18.998 1.00 0.00 H ATOM 196 HD11 LEU A 12 5.124 11.498 17.730 1.00 0.00 H ATOM 197 HD12 LEU A 12 6.098 12.539 16.664 1.00 0.00 H ATOM 198 HD13 LEU A 12 6.798 11.910 18.175 1.00 0.00 H ATOM 199 H LEU A 12 1.749 14.054 19.531 1.00 0.00 H ATOM 200 N ASP A 13 2.273 16.848 17.121 1.00 11.70 N ATOM 201 CA ASP A 13 1.257 17.410 16.217 1.00 10.95 C ATOM 202 C ASP A 13 1.702 17.253 14.788 1.00 9.37 C ATOM 203 O ASP A 13 2.804 16.729 14.487 1.00 9.78 O ATOM 204 CB ASP A 13 0.915 18.837 16.637 1.00 11.82 C ATOM 205 CG ASP A 13 2.011 19.845 16.465 1.00 12.38 C ATOM 206 OD1 ASP A 13 2.888 19.651 15.574 1.00 11.14 O ATOM 207 OD2 ASP A 13 2.056 20.865 17.211 1.00 14.32 O ATOM 208 HA ASP A 13 0.320 16.858 16.291 1.00 0.00 H ATOM 209 HB2 ASP A 13 0.061 19.165 16.044 1.00 0.00 H ATOM 210 HB3 ASP A 13 0.638 18.819 17.691 1.00 0.00 H ATOM 211 H ASP A 13 3.037 17.446 17.496 1.00 0.00 H ATOM 212 N GLU A 14 0.912 17.682 13.820 1.00 8.94 N ATOM 213 CA GLU A 14 1.237 17.493 12.403 1.00 9.78 C ATOM 214 C GLU A 14 2.472 18.261 11.981 1.00 9.34 C ATOM 215 O GLU A 14 3.264 17.749 11.174 1.00 10.10 O ATOM 216 CB GLU A 14 0.017 17.819 11.557 1.00 11.43 C ATOM 217 CG GLU A 14 -1.179 16.887 11.792 1.00 14.74 C ATOM 218 CD GLU A 14 -0.763 15.418 11.745 1.00 17.33 C ATOM 219 OE1 GLU A 14 -0.214 15.061 10.677 1.00 18.92 O ATOM 220 OE2 GLU A 14 -0.935 14.719 12.770 1.00 18.67 O ATOM 221 HA GLU A 14 1.494 16.446 12.241 1.00 0.00 H ATOM 222 HB2 GLU A 14 -0.294 18.839 11.784 1.00 0.00 H ATOM 223 HB3 GLU A 14 0.301 17.753 10.507 1.00 0.00 H ATOM 224 HG2 GLU A 14 -1.609 17.102 12.770 1.00 0.00 H ATOM 225 HG3 GLU A 14 -1.927 17.068 11.020 1.00 0.00 H ATOM 226 H GLU A 14 0.029 18.171 14.072 1.00 0.00 H ATOM 227 N GLN A 15 2.709 19.462 12.496 1.00 9.26 N ATOM 228 CA GLN A 15 3.926 20.202 12.154 1.00 9.33 C ATOM 229 C GLN A 15 5.144 19.424 12.648 1.00 8.36 C ATOM 230 O GLN A 15 6.131 19.311 11.928 1.00 8.44 O ATOM 231 CB GLN A 15 3.902 21.606 12.739 1.00 10.85 C ATOM 232 HA GLN A 15 3.983 20.307 11.071 1.00 0.00 H ATOM 233 HB2 GLN A 15 3.043 22.148 12.344 1.00 0.00 H ATOM 234 HB3 GLN A 15 3.826 21.545 13.825 1.00 0.00 H ATOM 235 H GLN A 15 2.020 19.883 13.152 1.00 0.00 H ATOM 236 N GLN A 16 5.080 18.877 13.843 1.00 8.01 N ATOM 237 CA GLN A 16 6.193 18.111 14.412 1.00 8.11 C ATOM 238 C GLN A 16 6.430 16.843 13.631 1.00 7.20 C ATOM 239 O GLN A 16 7.584 16.467 13.378 1.00 6.99 O ATOM 240 CB GLN A 16 5.923 17.825 15.889 1.00 8.85 C ATOM 241 CG GLN A 16 5.964 19.089 16.740 1.00 10.23 C ATOM 242 CD GLN A 16 5.463 18.819 18.150 1.00 12.21 C ATOM 243 OE1 GLN A 16 4.435 18.188 18.356 1.00 11.85 O ATOM 244 NE2 GLN A 16 6.219 19.305 19.138 1.00 14.75 N ATOM 245 HA GLN A 16 7.105 18.703 14.341 1.00 0.00 H ATOM 246 HB2 GLN A 16 4.937 17.370 15.984 1.00 0.00 H ATOM 247 HB3 GLN A 16 6.679 17.131 16.256 1.00 0.00 H ATOM 248 HG2 GLN A 16 6.991 19.451 16.790 1.00 0.00 H ATOM 249 HG3 GLN A 16 5.334 19.850 16.278 1.00 0.00 H ATOM 250 HE22 GLN A 16 7.085 19.836 18.917 1.00 0.00 H ATOM 251 HE21 GLN A 16 5.941 19.153 20.129 1.00 0.00 H ATOM 252 H GLN A 16 4.211 18.992 14.403 1.00 0.00 H ATOM 253 N LYS A 17 5.391 16.145 13.185 1.00 6.89 N ATOM 254 CA LYS A 17 5.560 14.926 12.385 1.00 7.49 C ATOM 255 C LYS A 17 6.183 15.292 11.053 1.00 6.67 C ATOM 256 O LYS A 17 7.095 14.598 10.580 1.00 5.99 O ATOM 257 CB LYS A 17 4.229 14.202 12.173 1.00 8.87 C ATOM 258 CG LYS A 17 3.641 13.649 13.463 1.00 10.67 C ATOM 259 CD LYS A 17 2.291 13.009 13.177 1.00 14.55 C ATOM 260 CE LYS A 17 1.526 12.678 14.438 1.00 17.30 C ATOM 261 NZ LYS A 17 0.159 12.194 14.017 1.00 19.60 N ATOM 262 HA LYS A 17 6.215 14.242 12.925 1.00 0.00 H ATOM 263 HB2 LYS A 17 3.517 14.904 11.739 1.00 0.00 H ATOM 264 HB3 LYS A 17 4.389 13.375 11.481 1.00 0.00 H ATOM 265 HG2 LYS A 17 4.316 12.901 13.878 1.00 0.00 H ATOM 266 HG3 LYS A 17 3.513 14.460 14.180 1.00 0.00 H ATOM 267 HD2 LYS A 17 1.697 13.700 12.579 1.00 0.00 H ATOM 268 HD3 LYS A 17 2.452 12.089 12.615 1.00 0.00 H ATOM 269 HE2 LYS A 17 1.432 13.567 15.062 1.00 0.00 H ATOM 270 HE3 LYS A 17 2.044 11.897 14.995 1.00 0.00 H ATOM 271 HZ1 LYS A 17 -0.323 12.944 13.482 1.00 0.00 H ATOM 272 HZ2 LYS A 17 0.261 11.350 13.418 1.00 0.00 H ATOM 273 HZ3 LYS A 17 -0.398 11.956 14.862 1.00 0.00 H ATOM 274 H LYS A 17 4.430 16.472 13.409 1.00 0.00 H ATOM 275 N ALA A 18 5.773 16.400 10.424 1.00 7.08 N ATOM 276 CA ALA A 18 6.321 16.808 9.152 1.00 7.10 C ATOM 277 C ALA A 18 7.801 17.184 9.285 1.00 6.50 C ATOM 278 O ALA A 18 8.583 16.857 8.389 1.00 7.12 O ATOM 279 CB ALA A 18 5.560 17.956 8.508 1.00 7.32 C ATOM 280 HA ALA A 18 6.218 15.943 8.496 1.00 0.00 H ATOM 281 HB1 ALA A 18 4.526 17.655 8.339 1.00 0.00 H ATOM 282 HB2 ALA A 18 5.584 18.822 9.169 1.00 0.00 H ATOM 283 HB3 ALA A 18 6.026 18.211 7.556 1.00 0.00 H ATOM 284 H ALA A 18 5.036 16.986 10.866 1.00 0.00 H ATOM 285 N ALA A 19 8.186 17.819 10.378 1.00 6.38 N ATOM 286 CA ALA A 19 9.566 18.226 10.580 1.00 5.82 C ATOM 287 C ALA A 19 10.464 17.011 10.784 1.00 5.38 C ATOM 288 O ALA A 19 11.583 16.946 10.248 1.00 5.49 O ATOM 289 CB ALA A 19 9.722 19.212 11.735 1.00 6.10 C ATOM 290 HA ALA A 19 9.878 18.746 9.674 1.00 0.00 H ATOM 291 HB1 ALA A 19 9.134 20.107 11.529 1.00 0.00 H ATOM 292 HB2 ALA A 19 9.370 18.749 12.657 1.00 0.00 H ATOM 293 HB3 ALA A 19 10.773 19.482 11.841 1.00 0.00 H ATOM 294 H ALA A 19 7.482 18.033 11.113 1.00 0.00 H ATOM 295 N LEU A 20 9.975 16.037 11.533 1.00 4.59 N ATOM 296 CA LEU A 20 10.680 14.757 11.696 1.00 3.97 C ATOM 297 C LEU A 20 10.852 14.103 10.327 1.00 4.27 C ATOM 298 O LEU A 20 11.950 13.672 9.956 1.00 3.17 O ATOM 299 CB LEU A 20 9.922 13.872 12.667 1.00 3.46 C ATOM 300 CG LEU A 20 10.371 12.394 12.674 1.00 3.37 C ATOM 301 CD1 LEU A 20 11.832 12.266 13.108 1.00 3.56 C ATOM 302 CD2 LEU A 20 9.477 11.605 13.599 1.00 4.46 C ATOM 303 HA LEU A 20 11.672 14.919 12.117 1.00 0.00 H ATOM 304 HB2 LEU A 20 10.058 14.274 13.671 1.00 0.00 H ATOM 305 HB3 LEU A 20 8.865 13.905 12.404 1.00 0.00 H ATOM 306 HG LEU A 20 10.289 11.997 11.662 1.00 0.00 H ATOM 307 HD21 LEU A 20 9.549 12.013 14.607 1.00 0.00 H ATOM 308 HD22 LEU A 20 8.446 11.672 13.251 1.00 0.00 H ATOM 309 HD23 LEU A 20 9.793 10.562 13.605 1.00 0.00 H ATOM 310 HD11 LEU A 20 12.465 12.821 12.416 1.00 0.00 H ATOM 311 HD12 LEU A 20 11.948 12.672 14.113 1.00 0.00 H ATOM 312 HD13 LEU A 20 12.120 11.215 13.104 1.00 0.00 H ATOM 313 H LEU A 20 9.067 16.180 12.020 1.00 0.00 H ATOM 314 N ALA A 21 9.758 14.029 9.554 1.00 3.89 N ATOM 315 CA ALA A 21 9.879 13.399 8.235 1.00 4.01 C ATOM 316 C ALA A 21 10.882 14.104 7.333 1.00 3.84 C ATOM 317 O ALA A 21 11.640 13.446 6.611 1.00 4.38 O ATOM 318 CB ALA A 21 8.516 13.395 7.557 1.00 4.29 C ATOM 319 HA ALA A 21 10.243 12.384 8.393 1.00 0.00 H ATOM 320 HB1 ALA A 21 7.809 12.834 8.168 1.00 0.00 H ATOM 321 HB2 ALA A 21 8.165 14.421 7.443 1.00 0.00 H ATOM 322 HB3 ALA A 21 8.601 12.928 6.576 1.00 0.00 H ATOM 323 H ALA A 21 8.847 14.409 9.882 1.00 0.00 H ATOM 324 N ALA A 22 10.933 15.439 7.361 1.00 4.11 N ATOM 325 CA ALA A 22 11.840 16.193 6.529 1.00 4.30 C ATOM 326 C ALA A 22 13.303 15.894 6.866 1.00 4.32 C ATOM 327 O ALA A 22 14.145 15.716 5.980 1.00 3.98 O ATOM 328 CB ALA A 22 11.577 17.684 6.612 1.00 4.67 C ATOM 329 HA ALA A 22 11.655 15.873 5.504 1.00 0.00 H ATOM 330 HB1 ALA A 22 10.559 17.891 6.283 1.00 0.00 H ATOM 331 HB2 ALA A 22 11.702 18.017 7.642 1.00 0.00 H ATOM 332 HB3 ALA A 22 12.282 18.212 5.970 1.00 0.00 H ATOM 333 H ALA A 22 10.297 15.952 8.004 1.00 0.00 H ATOM 334 N ASP A 23 13.595 15.828 8.174 1.00 3.80 N ATOM 335 CA ASP A 23 14.965 15.556 8.598 1.00 4.49 C ATOM 336 C ASP A 23 15.376 14.128 8.289 1.00 4.07 C ATOM 337 O ASP A 23 16.508 13.886 7.842 1.00 4.02 O ATOM 338 CB ASP A 23 15.146 15.896 10.071 1.00 5.79 C ATOM 339 CG ASP A 23 15.266 17.368 10.365 1.00 8.30 C ATOM 340 OD1 ASP A 23 15.229 18.193 9.432 1.00 10.44 O ATOM 341 OD2 ASP A 23 15.421 17.683 11.560 1.00 10.06 O ATOM 342 HA ASP A 23 15.631 16.200 8.024 1.00 0.00 H ATOM 343 HB2 ASP A 23 14.286 15.509 10.618 1.00 0.00 H ATOM 344 HB3 ASP A 23 16.052 15.403 10.425 1.00 0.00 H ATOM 345 H ASP A 23 12.848 15.970 8.883 1.00 0.00 H ATOM 346 N ILE A 24 14.475 13.163 8.442 1.00 3.48 N ATOM 347 CA ILE A 24 14.780 11.789 8.058 1.00 3.43 C ATOM 348 C ILE A 24 15.059 11.737 6.562 1.00 4.00 C ATOM 349 O ILE A 24 16.005 11.095 6.092 1.00 3.03 O ATOM 350 CB ILE A 24 13.645 10.821 8.447 1.00 3.58 C ATOM 351 CG1 ILE A 24 13.528 10.655 9.962 1.00 3.39 C ATOM 352 CG2 ILE A 24 13.822 9.468 7.785 1.00 4.66 C ATOM 353 CD1 ILE A 24 14.672 9.946 10.662 1.00 3.65 C ATOM 354 HA ILE A 24 15.667 11.463 8.601 1.00 0.00 H ATOM 355 HB ILE A 24 12.718 11.266 8.086 1.00 0.00 H ATOM 356 HG12 ILE A 24 13.441 11.650 10.397 1.00 0.00 H ATOM 357 HG13 ILE A 24 12.617 10.091 10.163 1.00 0.00 H ATOM 358 HD11 ILE A 24 14.773 8.938 10.261 1.00 0.00 H ATOM 359 HD12 ILE A 24 15.597 10.499 10.495 1.00 0.00 H ATOM 360 HD13 ILE A 24 14.466 9.894 11.731 1.00 0.00 H ATOM 361 HG21 ILE A 24 13.817 9.591 6.702 1.00 0.00 H ATOM 362 HG22 ILE A 24 14.771 9.033 8.098 1.00 0.00 H ATOM 363 HG23 ILE A 24 13.005 8.810 8.081 1.00 0.00 H ATOM 364 H ILE A 24 13.541 13.390 8.840 1.00 0.00 H ATOM 365 N THR A 25 14.203 12.404 5.779 1.00 3.43 N ATOM 366 CA THR A 25 14.328 12.445 4.329 1.00 4.21 C ATOM 367 C THR A 25 15.698 12.965 3.923 1.00 3.52 C ATOM 368 O THR A 25 16.349 12.352 3.049 1.00 4.34 O ATOM 369 CB THR A 25 13.210 13.324 3.728 1.00 4.50 C ATOM 370 OG1 THR A 25 11.953 12.639 3.926 1.00 4.89 O ATOM 371 CG2 THR A 25 13.415 13.584 2.251 1.00 6.05 C ATOM 372 HA THR A 25 14.224 11.432 3.940 1.00 0.00 H ATOM 373 HB THR A 25 13.221 14.293 4.228 1.00 0.00 H ATOM 374 HG1 THR A 25 11.801 12.505 4.895 1.00 0.00 H ATOM 375 HG23 THR A 25 14.363 14.101 2.103 1.00 0.00 H ATOM 376 HG21 THR A 25 13.429 12.635 1.715 1.00 0.00 H ATOM 377 HG22 THR A 25 12.600 14.203 1.876 1.00 0.00 H ATOM 378 H THR A 25 13.415 12.915 6.225 1.00 0.00 H ATOM 379 N ASP A 26 16.193 14.067 4.509 1.00 4.13 N ATOM 380 CA ASP A 26 17.500 14.575 4.116 1.00 4.69 C ATOM 381 C ASP A 26 18.591 13.559 4.387 1.00 4.24 C ATOM 382 O ASP A 26 19.490 13.390 3.556 1.00 4.44 O ATOM 383 CB ASP A 26 17.808 15.887 4.847 1.00 7.21 C ATOM 384 CG ASP A 26 19.289 16.249 4.748 1.00 10.24 C ATOM 385 OD1 ASP A 26 19.632 16.756 3.650 1.00 13.80 O ATOM 386 OD2 ASP A 26 20.094 15.981 5.676 1.00 10.20 O ATOM 387 HA ASP A 26 17.473 14.765 3.043 1.00 0.00 H ATOM 388 HB2 ASP A 26 17.217 16.688 4.402 1.00 0.00 H ATOM 389 HB3 ASP A 26 17.539 15.779 5.898 1.00 0.00 H ATOM 390 H ASP A 26 15.643 14.557 5.243 1.00 0.00 H ATOM 391 N VAL A 27 18.523 12.885 5.522 1.00 3.29 N ATOM 392 CA VAL A 27 19.539 11.881 5.844 1.00 3.68 C ATOM 393 C VAL A 27 19.543 10.746 4.848 1.00 3.42 C ATOM 394 O VAL A 27 20.608 10.340 4.349 1.00 3.18 O ATOM 395 CB VAL A 27 19.298 11.361 7.269 1.00 3.15 C ATOM 396 CG1 VAL A 27 20.213 10.162 7.562 1.00 4.00 C ATOM 397 CG2 VAL A 27 19.607 12.467 8.268 1.00 4.17 C ATOM 398 HA VAL A 27 20.522 12.350 5.788 1.00 0.00 H ATOM 399 HB VAL A 27 18.257 11.051 7.357 1.00 0.00 H ATOM 400 HG11 VAL A 27 20.002 9.363 6.851 1.00 0.00 H ATOM 401 HG12 VAL A 27 21.254 10.469 7.466 1.00 0.00 H ATOM 402 HG13 VAL A 27 20.030 9.806 8.576 1.00 0.00 H ATOM 403 HG21 VAL A 27 20.648 12.771 8.161 1.00 0.00 H ATOM 404 HG22 VAL A 27 18.957 13.320 8.076 1.00 0.00 H ATOM 405 HG23 VAL A 27 19.436 12.099 9.280 1.00 0.00 H ATOM 406 H VAL A 27 17.746 13.068 6.188 1.00 0.00 H ATOM 407 N ILE A 28 18.361 10.263 4.476 1.00 3.05 N ATOM 408 CA ILE A 28 18.245 9.147 3.541 1.00 3.09 C ATOM 409 C ILE A 28 18.737 9.543 2.153 1.00 3.23 C ATOM 410 O ILE A 28 19.435 8.784 1.489 1.00 3.31 O ATOM 411 CB ILE A 28 16.791 8.632 3.529 1.00 3.13 C ATOM 412 CG1 ILE A 28 16.406 8.051 4.881 1.00 3.80 C ATOM 413 CG2 ILE A 28 16.529 7.625 2.413 1.00 3.27 C ATOM 414 CD1 ILE A 28 17.148 6.786 5.298 1.00 4.37 C ATOM 415 HA ILE A 28 18.886 8.329 3.870 1.00 0.00 H ATOM 416 HB ILE A 28 16.159 9.497 3.327 1.00 0.00 H ATOM 417 HG12 ILE A 28 16.593 8.813 5.638 1.00 0.00 H ATOM 418 HG13 ILE A 28 15.341 7.820 4.855 1.00 0.00 H ATOM 419 HD11 ILE A 28 16.964 6.000 4.566 1.00 0.00 H ATOM 420 HD12 ILE A 28 18.217 6.993 5.349 1.00 0.00 H ATOM 421 HD13 ILE A 28 16.792 6.463 6.276 1.00 0.00 H ATOM 422 HG21 ILE A 28 16.724 8.094 1.449 1.00 0.00 H ATOM 423 HG22 ILE A 28 17.186 6.765 2.540 1.00 0.00 H ATOM 424 HG23 ILE A 28 15.490 7.299 2.456 1.00 0.00 H ATOM 425 H ILE A 28 17.495 10.692 4.862 1.00 0.00 H ATOM 426 N ILE A 29 18.381 10.752 1.693 1.00 3.30 N ATOM 427 CA ILE A 29 18.883 11.236 0.402 1.00 3.69 C ATOM 428 C ILE A 29 20.406 11.233 0.393 1.00 3.25 C ATOM 429 O ILE A 29 21.050 10.717 -0.533 1.00 4.22 O ATOM 430 CB ILE A 29 18.355 12.646 0.089 1.00 4.04 C ATOM 431 CG1 ILE A 29 16.841 12.571 -0.239 1.00 4.91 C ATOM 432 CG2 ILE A 29 19.103 13.297 -1.062 1.00 4.33 C ATOM 433 CD1 ILE A 29 16.160 13.931 -0.332 1.00 4.98 C ATOM 434 HA ILE A 29 18.520 10.560 -0.372 1.00 0.00 H ATOM 435 HB ILE A 29 18.517 13.265 0.972 1.00 0.00 H ATOM 436 HG12 ILE A 29 16.722 12.061 -1.195 1.00 0.00 H ATOM 437 HG13 ILE A 29 16.349 11.993 0.543 1.00 0.00 H ATOM 438 HD11 ILE A 29 16.258 14.451 0.621 1.00 0.00 H ATOM 439 HD12 ILE A 29 16.632 14.519 -1.119 1.00 0.00 H ATOM 440 HD13 ILE A 29 15.104 13.792 -0.564 1.00 0.00 H ATOM 441 HG21 ILE A 29 20.159 13.380 -0.807 1.00 0.00 H ATOM 442 HG22 ILE A 29 18.991 12.686 -1.958 1.00 0.00 H ATOM 443 HG23 ILE A 29 18.693 14.290 -1.244 1.00 0.00 H ATOM 444 H ILE A 29 17.744 11.351 2.256 1.00 0.00 H ATOM 445 N ARG A 30 21.037 11.815 1.446 1.00 2.96 N ATOM 446 CA ARG A 30 22.491 11.923 1.445 1.00 2.88 C ATOM 447 C ARG A 30 23.232 10.621 1.621 1.00 3.25 C ATOM 448 O ARG A 30 24.307 10.450 1.049 1.00 4.82 O ATOM 449 CB ARG A 30 22.957 12.913 2.512 1.00 2.81 C ATOM 450 CG ARG A 30 22.532 14.345 2.225 1.00 3.13 C ATOM 451 CD ARG A 30 23.112 15.323 3.227 1.00 3.24 C ATOM 452 NE ARG A 30 22.650 15.093 4.592 1.00 3.01 N ATOM 453 CZ ARG A 30 23.321 14.429 5.540 1.00 4.20 C ATOM 454 NH1 ARG A 30 24.517 13.919 5.315 1.00 3.68 N ATOM 455 NH2 ARG A 30 22.717 14.303 6.717 1.00 5.23 N ATOM 456 HA ARG A 30 22.738 12.278 0.444 1.00 0.00 H ATOM 457 HB2 ARG A 30 22.537 12.612 3.472 1.00 0.00 H ATOM 458 HB3 ARG A 30 24.045 12.878 2.566 1.00 0.00 H ATOM 459 HG2 ARG A 30 22.873 14.620 1.227 1.00 0.00 H ATOM 460 HG3 ARG A 30 21.444 14.404 2.265 1.00 0.00 H ATOM 461 HD2 ARG A 30 22.827 16.332 2.930 1.00 0.00 H ATOM 462 HD3 ARG A 30 24.198 15.234 3.209 1.00 0.00 H ATOM 463 HE ARG A 30 21.719 15.478 4.850 1.00 0.00 H ATOM 464 HH12 ARG A 30 25.015 13.408 6.071 1.00 0.00 H ATOM 465 HH11 ARG A 30 24.962 14.028 4.381 1.00 0.00 H ATOM 466 HH22 ARG A 30 23.190 13.797 7.493 1.00 0.00 H ATOM 467 HH21 ARG A 30 21.771 14.711 6.862 1.00 0.00 H ATOM 468 H ARG A 30 20.486 12.181 2.248 1.00 0.00 H ATOM 469 N HIS A 31 22.694 9.673 2.374 1.00 3.07 N ATOM 470 CA HIS A 31 23.396 8.417 2.651 1.00 3.63 C ATOM 471 C HIS A 31 23.067 7.289 1.704 1.00 4.01 C ATOM 472 O HIS A 31 23.929 6.422 1.503 1.00 5.56 O ATOM 473 CB HIS A 31 23.091 7.991 4.094 1.00 3.29 C ATOM 474 CG HIS A 31 23.807 8.832 5.114 1.00 3.44 C ATOM 475 ND1 HIS A 31 25.063 8.546 5.601 1.00 3.59 N ATOM 476 CD2 HIS A 31 23.389 9.974 5.716 1.00 2.94 C ATOM 477 CE1 HIS A 31 25.390 9.495 6.462 1.00 3.28 C ATOM 478 NE2 HIS A 31 24.412 10.371 6.544 1.00 2.87 N ATOM 479 HA HIS A 31 24.458 8.616 2.505 1.00 0.00 H ATOM 480 HB2 HIS A 31 22.018 8.077 4.263 1.00 0.00 H ATOM 481 HB3 HIS A 31 23.396 6.952 4.223 1.00 0.00 H ATOM 482 HD2 HIS A 31 22.433 10.476 5.572 1.00 0.00 H ATOM 483 HE1 HIS A 31 26.326 9.544 7.018 1.00 0.00 H ATOM 484 H HIS A 31 21.748 9.824 2.779 1.00 0.00 H ATOM 485 N LEU A 32 21.848 7.247 1.134 1.00 4.37 N ATOM 486 CA LEU A 32 21.464 6.150 0.258 1.00 4.88 C ATOM 487 C LEU A 32 21.345 6.591 -1.183 1.00 6.08 C ATOM 488 O LEU A 32 20.905 5.832 -2.045 1.00 7.37 O ATOM 489 CB LEU A 32 20.170 5.496 0.763 1.00 5.76 C ATOM 490 CG LEU A 32 20.236 4.867 2.161 1.00 6.81 C ATOM 491 CD1 LEU A 32 18.908 4.168 2.473 1.00 7.73 C ATOM 492 CD2 LEU A 32 21.409 3.892 2.293 1.00 7.17 C ATOM 493 HA LEU A 32 22.257 5.403 0.285 1.00 0.00 H ATOM 494 HB2 LEU A 32 19.393 6.260 0.777 1.00 0.00 H ATOM 495 HB3 LEU A 32 19.894 4.713 0.057 1.00 0.00 H ATOM 496 HG LEU A 32 20.403 5.664 2.886 1.00 0.00 H ATOM 497 HD21 LEU A 32 21.298 3.091 1.562 1.00 0.00 H ATOM 498 HD22 LEU A 32 22.343 4.423 2.112 1.00 0.00 H ATOM 499 HD23 LEU A 32 21.418 3.470 3.298 1.00 0.00 H ATOM 500 HD11 LEU A 32 18.099 4.897 2.441 1.00 0.00 H ATOM 501 HD12 LEU A 32 18.726 3.389 1.733 1.00 0.00 H ATOM 502 HD13 LEU A 32 18.958 3.722 3.466 1.00 0.00 H ATOM 503 H LEU A 32 21.169 8.012 1.323 1.00 0.00 H ATOM 504 N ASN A 33 21.708 7.816 -1.521 1.00 6.07 N ATOM 505 CA ASN A 33 21.638 8.344 -2.875 1.00 7.08 C ATOM 506 C ASN A 33 20.209 8.204 -3.404 1.00 7.07 C ATOM 507 O ASN A 33 19.934 7.785 -4.527 1.00 9.47 O ATOM 508 CB ASN A 33 22.624 7.621 -3.807 1.00 11.27 C ATOM 509 CG ASN A 33 23.989 8.264 -3.811 1.00 18.76 C ATOM 510 OD1 ASN A 33 24.177 9.481 -3.687 1.00 22.19 O ATOM 511 ND2 ASN A 33 25.005 7.414 -3.954 1.00 22.22 N ATOM 512 HA ASN A 33 21.916 9.398 -2.851 1.00 0.00 H ATOM 513 HB2 ASN A 33 22.725 6.587 -3.476 1.00 0.00 H ATOM 514 HB3 ASN A 33 22.225 7.640 -4.821 1.00 0.00 H ATOM 515 HD22 ASN A 33 24.821 6.396 -4.056 1.00 0.00 H ATOM 516 HD21 ASN A 33 25.983 7.769 -3.963 1.00 0.00 H ATOM 517 H ASN A 33 22.066 8.442 -0.772 1.00 0.00 H ATOM 518 N SER A 34 19.244 8.560 -2.566 1.00 6.49 N ATOM 519 CA SER A 34 17.830 8.434 -2.857 1.00 6.95 C ATOM 520 C SER A 34 17.294 9.767 -3.373 1.00 8.45 C ATOM 521 O SER A 34 17.969 10.788 -3.501 1.00 8.42 O ATOM 522 CB SER A 34 17.023 7.972 -1.646 1.00 7.31 C ATOM 523 OG SER A 34 17.425 6.694 -1.195 1.00 7.90 O ATOM 524 HA SER A 34 17.718 7.666 -3.623 1.00 0.00 H ATOM 525 HB2 SER A 34 15.969 7.933 -1.920 1.00 0.00 H ATOM 526 HB3 SER A 34 17.160 8.690 -0.837 1.00 0.00 H ATOM 527 HG SER A 34 17.297 6.034 -1.921 1.00 0.00 H ATOM 528 H SER A 34 19.519 8.954 -1.644 1.00 0.00 H ATOM 529 N LYS A 35 16.058 9.686 -3.807 1.00 11.10 N ATOM 530 CA LYS A 35 15.267 10.766 -4.371 1.00 11.75 C ATOM 531 C LYS A 35 14.129 11.007 -3.388 1.00 10.48 C ATOM 532 O LYS A 35 13.605 10.053 -2.788 1.00 9.75 O ATOM 533 CB LYS A 35 14.684 10.294 -5.694 1.00 13.75 C ATOM 534 CG LYS A 35 15.548 10.264 -6.930 1.00 15.66 C ATOM 535 CD LYS A 35 15.593 11.602 -7.649 1.00 18.07 C ATOM 536 CE LYS A 35 14.264 12.317 -7.689 1.00 19.54 C ATOM 537 NZ LYS A 35 13.116 11.443 -8.075 1.00 20.90 N ATOM 538 HA LYS A 35 15.857 11.668 -4.536 1.00 0.00 H ATOM 539 HB2 LYS A 35 14.325 9.277 -5.535 1.00 0.00 H ATOM 540 HB3 LYS A 35 13.839 10.945 -5.916 1.00 0.00 H ATOM 541 HG2 LYS A 35 16.562 9.990 -6.640 1.00 0.00 H ATOM 542 HG3 LYS A 35 15.152 9.514 -7.614 1.00 0.00 H ATOM 543 HD2 LYS A 35 16.313 12.242 -7.139 1.00 0.00 H ATOM 544 HD3 LYS A 35 15.923 11.431 -8.674 1.00 0.00 H ATOM 545 HE2 LYS A 35 14.334 13.131 -8.411 1.00 0.00 H ATOM 546 HE3 LYS A 35 14.065 12.727 -6.699 1.00 0.00 H ATOM 547 HZ1 LYS A 35 13.284 11.052 -9.024 1.00 0.00 H ATOM 548 HZ2 LYS A 35 13.027 10.666 -7.389 1.00 0.00 H ATOM 549 HZ3 LYS A 35 12.241 12.005 -8.080 1.00 0.00 H ATOM 550 H LYS A 35 15.599 8.755 -3.740 1.00 0.00 H ATOM 551 N ASP A 36 13.679 12.239 -3.209 1.00 10.08 N ATOM 552 CA ASP A 36 12.563 12.543 -2.331 1.00 8.16 C ATOM 553 C ASP A 36 11.368 11.659 -2.669 1.00 7.44 C ATOM 554 O ASP A 36 10.705 11.111 -1.771 1.00 6.93 O ATOM 555 CB ASP A 36 12.173 14.008 -2.536 1.00 9.07 C ATOM 556 CG ASP A 36 11.046 14.382 -1.596 1.00 10.58 C ATOM 557 OD1 ASP A 36 9.938 14.533 -2.138 1.00 13.15 O ATOM 558 OD2 ASP A 36 11.246 14.579 -0.395 1.00 12.60 O ATOM 559 HA ASP A 36 12.854 12.362 -1.296 1.00 0.00 H ATOM 560 HB2 ASP A 36 13.036 14.643 -2.335 1.00 0.00 H ATOM 561 HB3 ASP A 36 11.848 14.154 -3.566 1.00 0.00 H ATOM 562 H ASP A 36 14.143 13.019 -3.717 1.00 0.00 H ATOM 563 N SER A 37 11.047 11.472 -3.943 1.00 7.20 N ATOM 564 CA SER A 37 9.900 10.708 -4.394 1.00 6.56 C ATOM 565 C SER A 37 9.870 9.241 -4.015 1.00 7.15 C ATOM 566 O SER A 37 8.793 8.640 -3.918 1.00 7.62 O ATOM 567 CB SER A 37 9.777 10.821 -5.935 1.00 9.56 C ATOM 568 OG SER A 37 10.908 10.255 -6.579 1.00 11.59 O ATOM 569 HA SER A 37 9.058 11.156 -3.867 1.00 0.00 H ATOM 570 HB2 SER A 37 9.699 11.873 -6.210 1.00 0.00 H ATOM 571 HB3 SER A 37 8.880 10.294 -6.261 1.00 0.00 H ATOM 572 HG SER A 37 11.725 10.733 -6.289 1.00 0.00 H ATOM 573 H SER A 37 11.659 11.902 -4.666 1.00 0.00 H ATOM 574 N SER A 38 11.017 8.643 -3.704 1.00 5.72 N ATOM 575 CA SER A 38 11.113 7.252 -3.350 1.00 6.54 C ATOM 576 C SER A 38 10.967 7.009 -1.855 1.00 4.78 C ATOM 577 O SER A 38 10.912 5.838 -1.465 1.00 5.05 O ATOM 578 CB SER A 38 12.464 6.647 -3.749 1.00 9.01 C ATOM 579 OG SER A 38 13.494 7.180 -2.945 1.00 12.27 O ATOM 580 HA SER A 38 10.293 6.781 -3.893 1.00 0.00 H ATOM 581 HB2 SER A 38 12.667 6.878 -4.795 1.00 0.00 H ATOM 582 HB3 SER A 38 12.427 5.566 -3.617 1.00 0.00 H ATOM 583 HG SER A 38 13.530 8.162 -3.065 1.00 0.00 H ATOM 584 H SER A 38 11.889 9.210 -3.717 1.00 0.00 H ATOM 585 N ILE A 39 10.930 8.065 -1.050 1.00 3.51 N ATOM 586 CA ILE A 39 10.946 7.885 0.402 1.00 4.10 C ATOM 587 C ILE A 39 9.569 7.943 1.030 1.00 3.78 C ATOM 588 O ILE A 39 8.788 8.887 0.845 1.00 4.83 O ATOM 589 CB ILE A 39 11.868 8.993 0.982 1.00 4.06 C ATOM 590 CG1 ILE A 39 13.295 8.812 0.429 1.00 4.75 C ATOM 591 CG2 ILE A 39 11.893 8.939 2.509 1.00 4.05 C ATOM 592 CD1 ILE A 39 14.203 10.005 0.675 1.00 5.08 C ATOM 593 HA ILE A 39 11.319 6.888 0.635 1.00 0.00 H ATOM 594 HB ILE A 39 11.476 9.965 0.682 1.00 0.00 H ATOM 595 HG12 ILE A 39 13.740 7.937 0.904 1.00 0.00 H ATOM 596 HG13 ILE A 39 13.229 8.646 -0.646 1.00 0.00 H ATOM 597 HD11 ILE A 39 13.779 10.888 0.196 1.00 0.00 H ATOM 598 HD12 ILE A 39 14.290 10.179 1.748 1.00 0.00 H ATOM 599 HD13 ILE A 39 15.189 9.802 0.257 1.00 0.00 H ATOM 600 HG21 ILE A 39 10.884 9.086 2.893 1.00 0.00 H ATOM 601 HG22 ILE A 39 12.267 7.967 2.831 1.00 0.00 H ATOM 602 HG23 ILE A 39 12.546 9.725 2.888 1.00 0.00 H ATOM 603 H ILE A 39 10.890 9.023 -1.453 1.00 0.00 H ATOM 604 N SER A 40 9.252 6.908 1.815 1.00 3.51 N ATOM 605 CA SER A 40 8.039 6.852 2.619 1.00 3.78 C ATOM 606 C SER A 40 8.418 6.633 4.073 1.00 3.55 C ATOM 607 O SER A 40 9.436 5.961 4.332 1.00 3.11 O ATOM 608 CB SER A 40 7.064 5.824 2.088 1.00 3.84 C ATOM 609 OG SER A 40 7.653 4.547 1.994 1.00 3.70 O ATOM 610 HA SER A 40 7.509 7.802 2.553 1.00 0.00 H ATOM 611 HB2 SER A 40 6.729 6.133 1.098 1.00 0.00 H ATOM 612 HB3 SER A 40 6.207 5.770 2.759 1.00 0.00 H ATOM 613 HG SER A 40 7.955 4.257 2.891 1.00 0.00 H ATOM 614 H SER A 40 9.906 6.100 1.853 1.00 0.00 H ATOM 615 N ILE A 41 7.654 7.199 5.004 1.00 3.18 N ATOM 616 CA ILE A 41 8.017 7.102 6.422 1.00 3.31 C ATOM 617 C ILE A 41 6.758 6.897 7.256 1.00 3.04 C ATOM 618 O ILE A 41 5.794 7.649 7.143 1.00 3.04 O ATOM 619 CB ILE A 41 8.733 8.380 6.921 1.00 3.08 C ATOM 620 CG1 ILE A 41 9.938 8.745 6.053 1.00 2.67 C ATOM 621 CG2 ILE A 41 9.184 8.197 8.362 1.00 3.50 C ATOM 622 CD1 ILE A 41 10.526 10.112 6.301 1.00 3.71 C ATOM 623 HA ILE A 41 8.698 6.258 6.530 1.00 0.00 H ATOM 624 HB ILE A 41 8.015 9.197 6.855 1.00 0.00 H ATOM 625 HG12 ILE A 41 10.718 8.006 6.233 1.00 0.00 H ATOM 626 HG13 ILE A 41 9.627 8.697 5.009 1.00 0.00 H ATOM 627 HD11 ILE A 41 9.768 10.872 6.112 1.00 0.00 H ATOM 628 HD12 ILE A 41 10.860 10.180 7.336 1.00 0.00 H ATOM 629 HD13 ILE A 41 11.374 10.268 5.634 1.00 0.00 H ATOM 630 HG21 ILE A 41 8.315 8.004 8.991 1.00 0.00 H ATOM 631 HG22 ILE A 41 9.872 7.354 8.422 1.00 0.00 H ATOM 632 HG23 ILE A 41 9.686 9.103 8.702 1.00 0.00 H ATOM 633 H ILE A 41 6.794 7.713 4.725 1.00 0.00 H ATOM 634 N ALA A 42 6.780 5.865 8.082 1.00 3.18 N ATOM 635 CA ALA A 42 5.740 5.527 9.031 1.00 3.45 C ATOM 636 C ALA A 42 6.210 5.836 10.444 1.00 3.50 C ATOM 637 O ALA A 42 7.381 5.586 10.780 1.00 4.96 O ATOM 638 CB ALA A 42 5.366 4.052 8.988 1.00 4.11 C ATOM 639 HA ALA A 42 4.868 6.121 8.757 1.00 0.00 H ATOM 640 HB1 ALA A 42 5.006 3.799 7.991 1.00 0.00 H ATOM 641 HB2 ALA A 42 6.243 3.449 9.223 1.00 0.00 H ATOM 642 HB3 ALA A 42 4.582 3.856 9.720 1.00 0.00 H ATOM 643 H ALA A 42 7.614 5.244 8.047 1.00 0.00 H ATOM 644 N LEU A 43 5.338 6.294 11.317 1.00 4.11 N ATOM 645 CA LEU A 43 5.629 6.523 12.735 1.00 4.74 C ATOM 646 C LEU A 43 4.546 5.781 13.515 1.00 5.48 C ATOM 647 O LEU A 43 3.362 6.104 13.395 1.00 6.96 O ATOM 648 CB LEU A 43 5.635 8.010 13.042 1.00 6.21 C ATOM 649 CG LEU A 43 5.827 8.396 14.519 1.00 7.68 C ATOM 650 CD1 LEU A 43 7.204 8.049 14.989 1.00 8.21 C ATOM 651 CD2 LEU A 43 5.552 9.900 14.680 1.00 9.91 C ATOM 652 HA LEU A 43 6.616 6.155 13.013 1.00 0.00 H ATOM 653 HB2 LEU A 43 6.444 8.465 12.471 1.00 0.00 H ATOM 654 HB3 LEU A 43 4.682 8.422 12.711 1.00 0.00 H ATOM 655 HG LEU A 43 5.125 7.833 15.134 1.00 0.00 H ATOM 656 HD21 LEU A 43 6.247 10.464 14.058 1.00 0.00 H ATOM 657 HD22 LEU A 43 4.529 10.116 14.372 1.00 0.00 H ATOM 658 HD23 LEU A 43 5.686 10.183 15.724 1.00 0.00 H ATOM 659 HD11 LEU A 43 7.363 6.976 14.884 1.00 0.00 H ATOM 660 HD12 LEU A 43 7.938 8.586 14.388 1.00 0.00 H ATOM 661 HD13 LEU A 43 7.311 8.333 16.036 1.00 0.00 H ATOM 662 H LEU A 43 4.378 6.508 10.978 1.00 0.00 H ATOM 663 N GLN A 44 4.956 4.760 14.278 1.00 4.70 N ATOM 664 CA GLN A 44 4.007 3.949 15.050 1.00 6.30 C ATOM 665 C GLN A 44 4.304 4.084 16.526 1.00 5.88 C ATOM 666 O GLN A 44 5.417 3.781 16.965 1.00 5.42 O ATOM 667 CB GLN A 44 4.107 2.468 14.626 1.00 9.04 C ATOM 668 CG GLN A 44 3.925 2.256 13.135 1.00 13.08 C ATOM 669 CD GLN A 44 3.664 0.859 12.653 1.00 15.87 C ATOM 670 OE1 GLN A 44 4.425 0.289 11.853 1.00 17.58 O ATOM 671 NE2 GLN A 44 2.572 0.272 13.127 1.00 17.60 N ATOM 672 HA GLN A 44 2.995 4.303 14.854 1.00 0.00 H ATOM 673 HB2 GLN A 44 5.089 2.092 14.912 1.00 0.00 H ATOM 674 HB3 GLN A 44 3.336 1.905 15.152 1.00 0.00 H ATOM 675 HG2 GLN A 44 3.083 2.872 12.819 1.00 0.00 H ATOM 676 HG3 GLN A 44 4.833 2.605 12.644 1.00 0.00 H ATOM 677 HE22 GLN A 44 1.958 0.779 13.795 1.00 0.00 H ATOM 678 HE21 GLN A 44 2.331 -0.695 12.830 1.00 0.00 H ATOM 679 H GLN A 44 5.971 4.536 14.325 1.00 0.00 H ATOM 680 N GLN A 45 3.396 4.580 17.331 1.00 6.05 N ATOM 681 CA GLN A 45 3.528 4.761 18.772 1.00 6.71 C ATOM 682 C GLN A 45 3.043 3.507 19.474 1.00 6.86 C ATOM 683 O GLN A 45 1.943 3.019 19.241 1.00 9.41 O ATOM 684 CB GLN A 45 2.771 6.014 19.236 1.00 9.18 C ATOM 685 CG GLN A 45 3.354 7.263 18.576 1.00 11.77 C ATOM 686 CD GLN A 45 2.738 8.550 19.085 1.00 15.60 C ATOM 687 OE1 GLN A 45 2.501 8.715 20.274 1.00 16.92 O ATOM 688 NE2 GLN A 45 2.476 9.461 18.152 1.00 17.67 N ATOM 689 HA GLN A 45 4.575 4.917 19.031 1.00 0.00 H ATOM 690 HB2 GLN A 45 1.720 5.921 18.963 1.00 0.00 H ATOM 691 HB3 GLN A 45 2.857 6.106 20.319 1.00 0.00 H ATOM 692 HG2 GLN A 45 4.426 7.290 18.772 1.00 0.00 H ATOM 693 HG3 GLN A 45 3.184 7.199 17.501 1.00 0.00 H ATOM 694 HE22 GLN A 45 2.700 9.264 17.156 1.00 0.00 H ATOM 695 HE21 GLN A 45 2.047 10.370 18.419 1.00 0.00 H ATOM 696 H GLN A 45 2.495 4.872 16.901 1.00 0.00 H ATOM 697 N ILE A 46 3.942 2.904 20.257 1.00 5.67 N ATOM 698 CA ILE A 46 3.730 1.626 20.922 1.00 6.74 C ATOM 699 C ILE A 46 3.758 1.830 22.420 1.00 6.95 C ATOM 700 O ILE A 46 4.738 2.383 22.941 1.00 6.97 O ATOM 701 CB ILE A 46 4.893 0.657 20.564 1.00 7.85 C ATOM 702 CG1 ILE A 46 5.183 0.563 19.071 1.00 10.76 C ATOM 703 CG2 ILE A 46 4.631 -0.717 21.172 1.00 7.76 C ATOM 704 CD1 ILE A 46 4.027 0.015 18.294 1.00 12.47 C ATOM 705 HA ILE A 46 2.772 1.216 20.603 1.00 0.00 H ATOM 706 HB ILE A 46 5.799 1.079 21.000 1.00 0.00 H ATOM 707 HG12 ILE A 46 5.415 1.560 18.696 1.00 0.00 H ATOM 708 HG13 ILE A 46 6.044 -0.089 18.923 1.00 0.00 H ATOM 709 HD11 ILE A 46 3.791 -0.987 18.654 1.00 0.00 H ATOM 710 HD12 ILE A 46 3.161 0.664 18.427 1.00 0.00 H ATOM 711 HD13 ILE A 46 4.290 -0.030 17.237 1.00 0.00 H ATOM 712 HG21 ILE A 46 4.560 -0.626 22.256 1.00 0.00 H ATOM 713 HG22 ILE A 46 3.696 -1.115 20.777 1.00 0.00 H ATOM 714 HG23 ILE A 46 5.451 -1.388 20.916 1.00 0.00 H ATOM 715 H ILE A 46 4.855 3.380 20.401 1.00 0.00 H ATOM 716 N GLN A 47 2.714 1.415 23.122 1.00 8.19 N ATOM 717 CA GLN A 47 2.740 1.553 24.582 1.00 9.74 C ATOM 718 C GLN A 47 3.871 0.736 25.141 1.00 8.67 C ATOM 719 O GLN A 47 4.185 -0.364 24.658 1.00 7.77 O ATOM 720 CB GLN A 47 1.396 1.068 25.154 1.00 12.30 C ATOM 721 CG GLN A 47 0.251 1.935 24.639 1.00 16.00 C ATOM 722 CD GLN A 47 0.236 3.333 25.194 1.00 19.59 C ATOM 723 OE1 GLN A 47 0.760 3.635 26.272 1.00 21.45 O ATOM 724 NE2 GLN A 47 -0.372 4.250 24.436 1.00 21.71 N ATOM 725 HA GLN A 47 2.892 2.597 24.858 1.00 0.00 H ATOM 726 HB2 GLN A 47 1.229 0.035 24.850 1.00 0.00 H ATOM 727 HB3 GLN A 47 1.428 1.125 26.242 1.00 0.00 H ATOM 728 HG2 GLN A 47 0.332 1.999 23.554 1.00 0.00 H ATOM 729 HG3 GLN A 47 -0.689 1.452 24.904 1.00 0.00 H ATOM 730 HE22 GLN A 47 -0.806 3.973 23.532 1.00 0.00 H ATOM 731 HE21 GLN A 47 -0.411 5.241 24.750 1.00 0.00 H ATOM 732 H GLN A 47 1.889 0.998 22.645 1.00 0.00 H ATOM 733 N PRO A 48 4.508 1.149 26.233 1.00 9.47 N ATOM 734 CA PRO A 48 5.633 0.452 26.806 1.00 9.95 C ATOM 735 C PRO A 48 5.363 -0.995 27.137 1.00 9.39 C ATOM 736 O PRO A 48 6.261 -1.830 26.956 1.00 7.79 O ATOM 737 CB PRO A 48 6.012 1.254 28.049 1.00 12.08 C ATOM 738 CG PRO A 48 5.252 2.516 27.989 1.00 13.96 C ATOM 739 CD PRO A 48 4.217 2.452 26.907 1.00 11.30 C ATOM 740 HA PRO A 48 6.444 0.396 26.080 1.00 0.00 H ATOM 741 HD3 PRO A 48 3.211 2.459 27.327 1.00 0.00 H ATOM 742 HD2 PRO A 48 4.325 3.285 26.212 1.00 0.00 H ATOM 743 HG3 PRO A 48 5.937 3.339 27.783 1.00 0.00 H ATOM 744 HG2 PRO A 48 4.760 2.685 28.947 1.00 0.00 H ATOM 745 HB2 PRO A 48 5.748 0.699 28.949 1.00 0.00 H ATOM 746 HB3 PRO A 48 7.082 1.460 28.051 1.00 0.00 H ATOM 747 N GLU A 49 4.153 -1.359 27.585 1.00 10.55 N ATOM 748 CA GLU A 49 3.841 -2.743 27.914 1.00 11.12 C ATOM 749 C GLU A 49 3.916 -3.662 26.705 1.00 9.69 C ATOM 750 O GLU A 49 4.062 -4.885 26.808 1.00 10.04 O ATOM 751 CB GLU A 49 2.453 -2.969 28.526 1.00 13.47 C ATOM 752 CG GLU A 49 1.912 -1.918 29.453 1.00 15.97 C ATOM 753 CD GLU A 49 1.326 -0.728 28.715 1.00 18.07 C ATOM 754 OE1 GLU A 49 0.168 -0.781 28.232 1.00 19.99 O ATOM 755 OE2 GLU A 49 2.067 0.276 28.629 1.00 17.78 O ATOM 756 HA GLU A 49 4.605 -2.979 28.655 1.00 0.00 H ATOM 757 HB2 GLU A 49 1.747 -3.069 27.701 1.00 0.00 H ATOM 758 HB3 GLU A 49 2.493 -3.905 29.084 1.00 0.00 H ATOM 759 HG2 GLU A 49 1.132 -2.365 30.069 1.00 0.00 H ATOM 760 HG3 GLU A 49 2.722 -1.567 30.093 1.00 0.00 H ATOM 761 H GLU A 49 3.417 -0.633 27.701 1.00 0.00 H ATOM 762 N SER A 50 3.789 -3.093 25.506 1.00 7.36 N ATOM 763 CA SER A 50 3.850 -3.869 24.286 1.00 7.22 C ATOM 764 C SER A 50 5.179 -3.782 23.564 1.00 5.85 C ATOM 765 O SER A 50 5.333 -4.295 22.445 1.00 6.70 O ATOM 766 CB SER A 50 2.686 -3.415 23.366 1.00 7.18 C ATOM 767 OG SER A 50 1.476 -3.820 24.030 1.00 8.99 O ATOM 768 HA SER A 50 3.749 -4.921 24.555 1.00 0.00 H ATOM 769 HB2 SER A 50 2.763 -3.897 22.391 1.00 0.00 H ATOM 770 HB3 SER A 50 2.704 -2.333 23.238 1.00 0.00 H ATOM 771 HG SER A 50 0.695 -3.553 23.483 1.00 0.00 H ATOM 772 H SER A 50 3.642 -2.065 25.446 1.00 0.00 H ATOM 773 N TRP A 51 6.202 -3.204 24.220 1.00 4.29 N ATOM 774 CA TRP A 51 7.530 -3.108 23.598 1.00 4.38 C ATOM 775 C TRP A 51 8.215 -4.453 23.554 1.00 3.69 C ATOM 776 O TRP A 51 9.008 -4.694 22.615 1.00 4.24 O ATOM 777 CB TRP A 51 8.435 -2.113 24.335 1.00 3.80 C ATOM 778 CG TRP A 51 9.628 -1.720 23.520 1.00 3.76 C ATOM 779 CD1 TRP A 51 10.923 -2.092 23.751 1.00 3.44 C ATOM 780 CD2 TRP A 51 9.634 -0.911 22.347 1.00 3.72 C ATOM 781 NE1 TRP A 51 11.753 -1.539 22.780 1.00 3.93 N ATOM 782 CE2 TRP A 51 10.986 -0.812 21.922 1.00 3.00 C ATOM 783 CE3 TRP A 51 8.652 -0.249 21.620 1.00 3.99 C ATOM 784 CZ2 TRP A 51 11.356 -0.076 20.811 1.00 3.90 C ATOM 785 CZ3 TRP A 51 9.029 0.479 20.509 1.00 4.62 C ATOM 786 CH2 TRP A 51 10.365 0.582 20.112 1.00 4.29 C ATOM 787 HA TRP A 51 7.367 -2.751 22.581 1.00 0.00 H ATOM 788 HB2 TRP A 51 7.858 -1.218 24.566 1.00 0.00 H ATOM 789 HB3 TRP A 51 8.779 -2.571 25.262 1.00 0.00 H ATOM 790 HE1 TRP A 51 12.784 -1.661 22.720 1.00 0.00 H ATOM 791 HD1 TRP A 51 11.256 -2.727 24.572 1.00 0.00 H ATOM 792 HZ2 TRP A 51 12.398 -0.018 20.497 1.00 0.00 H ATOM 793 HH2 TRP A 51 10.626 1.187 19.244 1.00 0.00 H ATOM 794 HZ3 TRP A 51 8.262 0.988 19.925 1.00 0.00 H ATOM 795 HE3 TRP A 51 7.606 -0.303 21.921 1.00 0.00 H ATOM 796 H TRP A 51 6.051 -2.822 25.175 1.00 0.00 H ATOM 797 N GLN A 52 7.954 -5.364 24.493 1.00 4.24 N ATOM 798 CA GLN A 52 8.576 -6.682 24.460 1.00 4.73 C ATOM 799 C GLN A 52 8.341 -7.381 23.124 1.00 4.94 C ATOM 800 O GLN A 52 9.230 -8.059 22.591 1.00 5.67 O ATOM 801 CB GLN A 52 8.031 -7.554 25.601 1.00 5.52 C ATOM 802 CG GLN A 52 8.709 -8.921 25.690 1.00 5.74 C ATOM 803 CD GLN A 52 10.118 -8.768 26.237 1.00 6.40 C ATOM 804 OE1 GLN A 52 10.321 -8.197 27.312 1.00 8.07 O ATOM 805 NE2 GLN A 52 11.113 -9.210 25.482 1.00 6.41 N ATOM 806 HA GLN A 52 9.650 -6.542 24.586 1.00 0.00 H ATOM 807 HB2 GLN A 52 8.185 -7.028 26.543 1.00 0.00 H ATOM 808 HB3 GLN A 52 6.963 -7.706 25.442 1.00 0.00 H ATOM 809 HG2 GLN A 52 8.133 -9.568 26.352 1.00 0.00 H ATOM 810 HG3 GLN A 52 8.754 -9.367 24.697 1.00 0.00 H ATOM 811 HE22 GLN A 52 10.909 -9.687 24.581 1.00 0.00 H ATOM 812 HE21 GLN A 52 12.098 -9.079 25.791 1.00 0.00 H ATOM 813 H GLN A 52 7.295 -5.130 25.263 1.00 0.00 H ATOM 814 N ALA A 53 7.161 -7.219 22.514 1.00 4.92 N ATOM 815 CA ALA A 53 6.877 -7.837 21.225 1.00 5.28 C ATOM 816 C ALA A 53 7.772 -7.258 20.142 1.00 5.18 C ATOM 817 O ALA A 53 8.134 -7.996 19.212 1.00 5.97 O ATOM 818 CB ALA A 53 5.401 -7.709 20.826 1.00 6.12 C ATOM 819 HA ALA A 53 7.090 -8.901 21.331 1.00 0.00 H ATOM 820 HB1 ALA A 53 4.779 -8.196 21.577 1.00 0.00 H ATOM 821 HB2 ALA A 53 5.134 -6.654 20.760 1.00 0.00 H ATOM 822 HB3 ALA A 53 5.245 -8.186 19.858 1.00 0.00 H ATOM 823 H ALA A 53 6.429 -6.638 22.971 1.00 0.00 H ATOM 824 N ILE A 54 8.145 -5.981 20.207 1.00 5.06 N ATOM 825 CA ILE A 54 9.033 -5.391 19.223 1.00 4.34 C ATOM 826 C ILE A 54 10.448 -5.934 19.417 1.00 3.61 C ATOM 827 O ILE A 54 11.148 -6.268 18.473 1.00 4.19 O ATOM 828 CB ILE A 54 8.999 -3.856 19.345 1.00 4.39 C ATOM 829 CG1 ILE A 54 7.567 -3.302 19.217 1.00 5.57 C ATOM 830 CG2 ILE A 54 9.952 -3.212 18.334 1.00 4.68 C ATOM 831 CD1 ILE A 54 6.776 -3.752 18.012 1.00 7.63 C ATOM 832 HA ILE A 54 8.702 -5.657 18.219 1.00 0.00 H ATOM 833 HB ILE A 54 9.345 -3.593 20.344 1.00 0.00 H ATOM 834 HG12 ILE A 54 7.015 -3.602 20.107 1.00 0.00 H ATOM 835 HG13 ILE A 54 7.634 -2.215 19.182 1.00 0.00 H ATOM 836 HD11 ILE A 54 7.296 -3.448 17.103 1.00 0.00 H ATOM 837 HD12 ILE A 54 6.676 -4.837 18.029 1.00 0.00 H ATOM 838 HD13 ILE A 54 5.787 -3.294 18.036 1.00 0.00 H ATOM 839 HG21 ILE A 54 10.968 -3.559 18.522 1.00 0.00 H ATOM 840 HG22 ILE A 54 9.652 -3.493 17.324 1.00 0.00 H ATOM 841 HG23 ILE A 54 9.912 -2.128 18.438 1.00 0.00 H ATOM 842 H ILE A 54 7.790 -5.390 20.985 1.00 0.00 H ATOM 843 N TRP A 55 10.885 -6.048 20.670 1.00 3.59 N ATOM 844 CA TRP A 55 12.180 -6.639 20.969 1.00 3.72 C ATOM 845 C TRP A 55 12.260 -8.047 20.386 1.00 4.13 C ATOM 846 O TRP A 55 13.208 -8.411 19.699 1.00 4.01 O ATOM 847 CB TRP A 55 12.388 -6.705 22.510 1.00 3.36 C ATOM 848 CG TRP A 55 13.683 -7.382 22.842 1.00 3.52 C ATOM 849 CD1 TRP A 55 13.886 -8.713 23.071 1.00 3.99 C ATOM 850 CD2 TRP A 55 14.993 -6.796 22.928 1.00 3.61 C ATOM 851 NE1 TRP A 55 15.217 -8.982 23.287 1.00 4.05 N ATOM 852 CE2 TRP A 55 15.922 -7.810 23.186 1.00 3.65 C ATOM 853 CE3 TRP A 55 15.452 -5.473 22.802 1.00 3.45 C ATOM 854 CZ2 TRP A 55 17.305 -7.594 23.323 1.00 3.63 C ATOM 855 CZ3 TRP A 55 16.810 -5.239 22.952 1.00 4.03 C ATOM 856 CH2 TRP A 55 17.699 -6.291 23.188 1.00 3.78 C ATOM 857 HA TRP A 55 12.959 -6.021 20.524 1.00 0.00 H ATOM 858 HB2 TRP A 55 12.400 -5.692 22.913 1.00 0.00 H ATOM 859 HB3 TRP A 55 11.567 -7.264 22.958 1.00 0.00 H ATOM 860 HE1 TRP A 55 15.621 -9.918 23.493 1.00 0.00 H ATOM 861 HD1 TRP A 55 13.096 -9.464 23.081 1.00 0.00 H ATOM 862 HZ2 TRP A 55 18.009 -8.402 23.521 1.00 0.00 H ATOM 863 HH2 TRP A 55 18.761 -6.061 23.269 1.00 0.00 H ATOM 864 HZ3 TRP A 55 17.190 -4.220 22.885 1.00 0.00 H ATOM 865 HE3 TRP A 55 14.761 -4.656 22.593 1.00 0.00 H ATOM 866 H TRP A 55 10.288 -5.707 21.451 1.00 0.00 H ATOM 867 N ASP A 56 11.211 -8.841 20.644 1.00 4.49 N ATOM 868 CA ASP A 56 11.217 -10.242 20.265 1.00 5.11 C ATOM 869 C ASP A 56 11.132 -10.465 18.758 1.00 7.00 C ATOM 870 O ASP A 56 11.785 -11.377 18.220 1.00 7.60 O ATOM 871 CB ASP A 56 10.078 -10.991 20.946 1.00 5.28 C ATOM 872 CG ASP A 56 10.183 -11.115 22.441 1.00 5.91 C ATOM 873 OD1 ASP A 56 11.231 -10.791 23.018 1.00 6.91 O ATOM 874 OD2 ASP A 56 9.136 -11.555 23.023 1.00 8.37 O ATOM 875 HA ASP A 56 12.179 -10.632 20.598 1.00 0.00 H ATOM 876 HB2 ASP A 56 9.149 -10.469 20.717 1.00 0.00 H ATOM 877 HB3 ASP A 56 10.041 -11.997 20.528 1.00 0.00 H ATOM 878 H ASP A 56 10.378 -8.446 21.125 1.00 0.00 H ATOM 879 N ALA A 57 10.332 -9.650 18.089 1.00 7.18 N ATOM 880 CA ALA A 57 10.148 -9.847 16.659 1.00 8.70 C ATOM 881 C ALA A 57 11.133 -9.098 15.780 1.00 8.16 C ATOM 882 O ALA A 57 11.401 -9.558 14.655 1.00 9.41 O ATOM 883 CB ALA A 57 8.742 -9.379 16.269 1.00 10.18 C ATOM 884 HA ALA A 57 10.310 -10.911 16.489 1.00 0.00 H ATOM 885 HB1 ALA A 57 8.002 -9.959 16.819 1.00 0.00 H ATOM 886 HB2 ALA A 57 8.632 -8.322 16.513 1.00 0.00 H ATOM 887 HB3 ALA A 57 8.596 -9.523 15.198 1.00 0.00 H ATOM 888 H ALA A 57 9.840 -8.877 18.580 1.00 0.00 H ATOM 889 N GLU A 58 11.559 -7.908 16.187 1.00 7.58 N ATOM 890 CA GLU A 58 12.360 -7.042 15.357 1.00 8.63 C ATOM 891 C GLU A 58 13.779 -6.825 15.810 1.00 7.98 C ATOM 892 O GLU A 58 14.721 -6.841 14.996 1.00 11.25 O ATOM 893 CB GLU A 58 11.702 -5.649 15.255 1.00 10.42 C ATOM 894 CG GLU A 58 10.318 -5.560 14.665 1.00 13.20 C ATOM 895 CD GLU A 58 10.232 -6.042 13.234 1.00 15.83 C ATOM 896 OE1 GLU A 58 11.199 -5.904 12.455 1.00 16.08 O ATOM 897 OE2 GLU A 58 9.153 -6.552 12.887 1.00 17.95 O ATOM 898 HA GLU A 58 12.406 -7.567 14.403 1.00 0.00 H ATOM 899 HB2 GLU A 58 11.651 -5.240 16.264 1.00 0.00 H ATOM 900 HB3 GLU A 58 12.355 -5.026 14.644 1.00 0.00 H ATOM 901 HG2 GLU A 58 9.645 -6.165 15.273 1.00 0.00 H ATOM 902 HG3 GLU A 58 9.997 -4.519 14.697 1.00 0.00 H ATOM 903 H GLU A 58 11.305 -7.587 17.143 1.00 0.00 H ATOM 904 N ILE A 59 13.983 -6.568 17.096 1.00 4.41 N ATOM 905 CA ILE A 59 15.307 -6.170 17.562 1.00 4.34 C ATOM 906 C ILE A 59 16.247 -7.328 17.793 1.00 4.91 C ATOM 907 O ILE A 59 17.319 -7.438 17.186 1.00 6.11 O ATOM 908 CB ILE A 59 15.193 -5.277 18.809 1.00 3.97 C ATOM 909 CG1 ILE A 59 14.256 -4.078 18.549 1.00 4.22 C ATOM 910 CG2 ILE A 59 16.582 -4.758 19.199 1.00 4.72 C ATOM 911 CD1 ILE A 59 13.980 -3.144 19.710 1.00 4.97 C ATOM 912 HA ILE A 59 15.757 -5.594 16.754 1.00 0.00 H ATOM 913 HB ILE A 59 14.776 -5.875 19.619 1.00 0.00 H ATOM 914 HG12 ILE A 59 14.699 -3.484 17.749 1.00 0.00 H ATOM 915 HG13 ILE A 59 13.298 -4.477 18.216 1.00 0.00 H ATOM 916 HD11 ILE A 59 13.516 -3.703 20.522 1.00 0.00 H ATOM 917 HD12 ILE A 59 14.918 -2.709 20.056 1.00 0.00 H ATOM 918 HD13 ILE A 59 13.308 -2.350 19.384 1.00 0.00 H ATOM 919 HG21 ILE A 59 17.236 -5.602 19.416 1.00 0.00 H ATOM 920 HG22 ILE A 59 16.997 -4.178 18.374 1.00 0.00 H ATOM 921 HG23 ILE A 59 16.497 -4.126 20.083 1.00 0.00 H ATOM 922 H ILE A 59 13.198 -6.650 17.773 1.00 0.00 H ATOM 923 N ALA A 60 15.849 -8.237 18.679 1.00 4.79 N ATOM 924 CA ALA A 60 16.670 -9.383 19.021 1.00 5.65 C ATOM 925 C ALA A 60 17.043 -10.270 17.855 1.00 5.22 C ATOM 926 O ALA A 60 18.245 -10.558 17.656 1.00 5.71 O ATOM 927 CB ALA A 60 16.033 -10.184 20.140 1.00 6.66 C ATOM 928 HA ALA A 60 17.617 -8.967 19.366 1.00 0.00 H ATOM 929 HB1 ALA A 60 15.925 -9.552 21.021 1.00 0.00 H ATOM 930 HB2 ALA A 60 15.052 -10.536 19.821 1.00 0.00 H ATOM 931 HB3 ALA A 60 16.666 -11.038 20.380 1.00 0.00 H ATOM 932 H ALA A 60 14.923 -8.123 19.139 1.00 0.00 H ATOM 933 N PRO A 61 16.127 -10.640 16.968 1.00 5.38 N ATOM 934 CA PRO A 61 16.473 -11.533 15.876 1.00 6.08 C ATOM 935 C PRO A 61 17.461 -10.905 14.920 1.00 5.83 C ATOM 936 O PRO A 61 18.267 -11.587 14.276 1.00 8.01 O ATOM 937 CB PRO A 61 15.154 -11.877 15.175 1.00 7.62 C ATOM 938 CG PRO A 61 14.099 -11.430 16.086 1.00 8.76 C ATOM 939 CD PRO A 61 14.657 -10.445 17.070 1.00 6.27 C ATOM 940 HA PRO A 61 16.968 -12.429 16.252 1.00 0.00 H ATOM 941 HD3 PRO A 61 14.380 -9.426 16.800 1.00 0.00 H ATOM 942 HD2 PRO A 61 14.305 -10.661 18.079 1.00 0.00 H ATOM 943 HG3 PRO A 61 13.697 -12.289 16.623 1.00 0.00 H ATOM 944 HG2 PRO A 61 13.302 -10.956 15.512 1.00 0.00 H ATOM 945 HB2 PRO A 61 15.081 -11.354 14.221 1.00 0.00 H ATOM 946 HB3 PRO A 61 15.081 -12.951 15.005 1.00 0.00 H ATOM 947 N GLN A 62 17.449 -9.567 14.806 1.00 3.96 N ATOM 948 CA GLN A 62 18.332 -8.843 13.911 1.00 3.93 C ATOM 949 C GLN A 62 19.585 -8.270 14.551 1.00 3.42 C ATOM 950 O GLN A 62 20.382 -7.625 13.853 1.00 3.59 O ATOM 951 CB GLN A 62 17.591 -7.659 13.261 1.00 4.86 C ATOM 952 CG GLN A 62 16.500 -8.118 12.294 1.00 7.16 C ATOM 953 CD GLN A 62 15.922 -6.918 11.562 1.00 10.43 C ATOM 954 OE1 GLN A 62 16.291 -6.579 10.422 1.00 13.34 O ATOM 955 NE2 GLN A 62 15.048 -6.183 12.175 1.00 10.88 N ATOM 956 HA GLN A 62 18.642 -9.600 13.190 1.00 0.00 H ATOM 957 HB2 GLN A 62 17.133 -7.058 14.047 1.00 0.00 H ATOM 958 HB3 GLN A 62 18.312 -7.052 12.714 1.00 0.00 H ATOM 959 HG2 GLN A 62 16.926 -8.813 11.570 1.00 0.00 H ATOM 960 HG3 GLN A 62 15.708 -8.618 12.852 1.00 0.00 H ATOM 961 HE22 GLN A 62 14.724 -6.446 13.128 1.00 0.00 H ATOM 962 HE21 GLN A 62 14.670 -5.331 11.714 1.00 0.00 H ATOM 963 H GLN A 62 16.776 -9.025 15.385 1.00 0.00 H ATOM 964 N MET A 63 19.899 -8.652 15.791 1.00 2.93 N ATOM 965 CA MET A 63 21.066 -8.155 16.486 1.00 3.12 C ATOM 966 C MET A 63 22.325 -8.340 15.666 1.00 3.53 C ATOM 967 O MET A 63 23.130 -7.414 15.579 1.00 4.11 O ATOM 968 CB MET A 63 21.230 -8.809 17.852 1.00 3.57 C ATOM 969 CG MET A 63 22.253 -8.174 18.765 1.00 4.10 C ATOM 970 SD MET A 63 21.756 -6.569 19.399 1.00 4.16 S ATOM 971 CE MET A 63 20.338 -6.988 20.403 1.00 4.95 C ATOM 972 HA MET A 63 20.908 -7.087 16.636 1.00 0.00 H ATOM 973 HB2 MET A 63 20.265 -8.777 18.357 1.00 0.00 H ATOM 974 HB3 MET A 63 21.521 -9.847 17.693 1.00 0.00 H ATOM 975 HG2 MET A 63 23.183 -8.052 18.209 1.00 0.00 H ATOM 976 HG3 MET A 63 22.422 -8.841 19.610 1.00 0.00 H ATOM 977 HE1 MET A 63 19.577 -7.455 19.778 1.00 0.00 H ATOM 978 HE2 MET A 63 20.642 -7.682 21.187 1.00 0.00 H ATOM 979 HE3 MET A 63 19.934 -6.082 20.854 1.00 0.00 H ATOM 980 H MET A 63 19.281 -9.333 16.276 1.00 0.00 H ATOM 981 N GLU A 64 22.501 -9.493 15.002 1.00 3.48 N ATOM 982 CA GLU A 64 23.647 -9.759 14.153 1.00 4.03 C ATOM 983 C GLU A 64 23.837 -8.797 12.986 1.00 4.32 C ATOM 984 O GLU A 64 24.944 -8.741 12.468 1.00 5.97 O ATOM 985 CB GLU A 64 23.567 -11.193 13.584 1.00 4.15 C ATOM 986 CG GLU A 64 22.413 -11.382 12.605 1.00 4.79 C ATOM 987 CD GLU A 64 22.168 -12.807 12.167 1.00 6.00 C ATOM 988 OE1 GLU A 64 22.902 -13.726 12.557 1.00 5.56 O ATOM 989 OE2 GLU A 64 21.194 -13.018 11.412 1.00 9.10 O ATOM 990 HA GLU A 64 24.506 -9.623 14.810 1.00 0.00 H ATOM 991 HB2 GLU A 64 24.501 -11.415 13.068 1.00 0.00 H ATOM 992 HB3 GLU A 64 23.437 -11.889 14.413 1.00 0.00 H ATOM 993 HG2 GLU A 64 21.504 -11.014 13.080 1.00 0.00 H ATOM 994 HG3 GLU A 64 22.624 -10.787 11.716 1.00 0.00 H ATOM 995 H GLU A 64 21.778 -10.234 15.101 1.00 0.00 H ATOM 996 N ALA A 65 22.788 -8.094 12.579 1.00 3.60 N ATOM 997 CA ALA A 65 22.841 -7.216 11.430 1.00 4.02 C ATOM 998 C ALA A 65 22.505 -5.773 11.724 1.00 3.92 C ATOM 999 O ALA A 65 22.653 -4.934 10.822 1.00 4.42 O ATOM 1000 CB ALA A 65 21.840 -7.725 10.373 1.00 4.99 C ATOM 1001 HA ALA A 65 23.875 -7.237 11.085 1.00 0.00 H ATOM 1002 HB1 ALA A 65 22.110 -8.739 10.078 1.00 0.00 H ATOM 1003 HB2 ALA A 65 20.835 -7.723 10.795 1.00 0.00 H ATOM 1004 HB3 ALA A 65 21.870 -7.071 9.501 1.00 0.00 H ATOM 1005 H ALA A 65 21.895 -8.177 13.105 1.00 0.00 H ATOM 1006 N LEU A 66 21.977 -5.411 12.878 1.00 3.62 N ATOM 1007 CA LEU A 66 21.597 -4.018 13.130 1.00 3.43 C ATOM 1008 C LEU A 66 22.750 -3.092 12.841 1.00 3.18 C ATOM 1009 O LEU A 66 23.900 -3.357 13.196 1.00 3.90 O ATOM 1010 CB LEU A 66 21.177 -3.882 14.602 1.00 3.11 C ATOM 1011 CG LEU A 66 19.883 -4.558 15.050 1.00 3.06 C ATOM 1012 CD1 LEU A 66 19.686 -4.354 16.549 1.00 3.74 C ATOM 1013 CD2 LEU A 66 18.691 -4.062 14.256 1.00 3.33 C ATOM 1014 HA LEU A 66 20.769 -3.745 12.475 1.00 0.00 H ATOM 1015 HB2 LEU A 66 21.984 -4.295 15.208 1.00 0.00 H ATOM 1016 HB3 LEU A 66 21.075 -2.817 14.812 1.00 0.00 H ATOM 1017 HG LEU A 66 19.964 -5.627 14.854 1.00 0.00 H ATOM 1018 HD21 LEU A 66 18.585 -2.986 14.396 1.00 0.00 H ATOM 1019 HD22 LEU A 66 18.845 -4.278 13.199 1.00 0.00 H ATOM 1020 HD23 LEU A 66 17.789 -4.566 14.604 1.00 0.00 H ATOM 1021 HD11 LEU A 66 20.527 -4.791 17.087 1.00 0.00 H ATOM 1022 HD12 LEU A 66 19.630 -3.287 16.765 1.00 0.00 H ATOM 1023 HD13 LEU A 66 18.761 -4.839 16.862 1.00 0.00 H ATOM 1024 H LEU A 66 21.828 -6.125 13.620 1.00 0.00 H ATOM 1025 N ILE A 67 22.490 -1.950 12.221 1.00 3.28 N ATOM 1026 CA ILE A 67 23.507 -0.908 12.022 1.00 3.20 C ATOM 1027 C ILE A 67 23.691 -0.062 13.269 1.00 3.09 C ATOM 1028 O ILE A 67 24.735 0.599 13.424 1.00 4.29 O ATOM 1029 CB ILE A 67 23.313 -0.081 10.741 1.00 3.56 C ATOM 1030 CG1 ILE A 67 22.057 0.780 10.773 1.00 3.65 C ATOM 1031 CG2 ILE A 67 23.352 -1.024 9.537 1.00 4.61 C ATOM 1032 CD1 ILE A 67 22.016 1.786 9.630 1.00 4.84 C ATOM 1033 HA ILE A 67 24.449 -1.430 11.855 1.00 0.00 H ATOM 1034 HB ILE A 67 24.131 0.635 10.659 1.00 0.00 H ATOM 1035 HG12 ILE A 67 21.185 0.131 10.700 1.00 0.00 H ATOM 1036 HG13 ILE A 67 22.027 1.322 11.718 1.00 0.00 H ATOM 1037 HD11 ILE A 67 22.880 2.446 9.698 1.00 0.00 H ATOM 1038 HD12 ILE A 67 22.037 1.254 8.679 1.00 0.00 H ATOM 1039 HD13 ILE A 67 21.101 2.375 9.698 1.00 0.00 H ATOM 1040 HG21 ILE A 67 24.315 -1.533 9.507 1.00 0.00 H ATOM 1041 HG22 ILE A 67 22.553 -1.760 9.628 1.00 0.00 H ATOM 1042 HG23 ILE A 67 23.215 -0.448 8.622 1.00 0.00 H ATOM 1043 H ILE A 67 21.528 -1.785 11.861 1.00 0.00 H ATOM 1044 N LYS A 68 22.735 -0.129 14.194 1.00 3.20 N ATOM 1045 CA LYS A 68 22.896 0.470 15.524 1.00 3.29 C ATOM 1046 C LYS A 68 22.186 -0.456 16.521 1.00 3.15 C ATOM 1047 O LYS A 68 20.971 -0.657 16.443 1.00 3.55 O ATOM 1048 CB LYS A 68 22.420 1.907 15.670 1.00 3.34 C ATOM 1049 CG LYS A 68 22.686 2.489 17.078 1.00 3.69 C ATOM 1050 CD LYS A 68 22.148 3.906 17.137 1.00 4.83 C ATOM 1051 CE LYS A 68 22.325 4.596 18.462 1.00 4.82 C ATOM 1052 NZ LYS A 68 23.751 4.980 18.677 1.00 7.10 N ATOM 1053 HA LYS A 68 23.966 0.550 15.718 1.00 0.00 H ATOM 1054 HB2 LYS A 68 22.939 2.522 14.935 1.00 0.00 H ATOM 1055 HB3 LYS A 68 21.348 1.940 15.477 1.00 0.00 H ATOM 1056 HG2 LYS A 68 22.185 1.876 17.828 1.00 0.00 H ATOM 1057 HG3 LYS A 68 23.758 2.497 17.274 1.00 0.00 H ATOM 1058 HD2 LYS A 68 22.661 4.495 16.377 1.00 0.00 H ATOM 1059 HD3 LYS A 68 21.082 3.873 16.912 1.00 0.00 H ATOM 1060 HE2 LYS A 68 22.012 3.922 19.260 1.00 0.00 H ATOM 1061 HE3 LYS A 68 21.707 5.493 18.483 1.00 0.00 H ATOM 1062 HZ1 LYS A 68 24.345 4.126 18.662 1.00 0.00 H ATOM 1063 HZ2 LYS A 68 24.053 5.626 17.920 1.00 0.00 H ATOM 1064 HZ3 LYS A 68 23.846 5.454 19.598 1.00 0.00 H ATOM 1065 H LYS A 68 21.847 -0.621 13.967 1.00 0.00 H ATOM 1066 N LYS A 69 22.984 -1.061 17.408 1.00 3.04 N ATOM 1067 CA LYS A 69 22.417 -1.967 18.417 1.00 3.67 C ATOM 1068 C LYS A 69 21.887 -1.140 19.582 1.00 4.35 C ATOM 1069 O LYS A 69 22.405 -0.071 19.880 1.00 4.28 O ATOM 1070 CB LYS A 69 23.507 -2.927 18.906 1.00 4.11 C ATOM 1071 CG LYS A 69 23.992 -3.912 17.865 1.00 3.54 C ATOM 1072 CD LYS A 69 25.031 -4.849 18.481 1.00 4.11 C ATOM 1073 CE LYS A 69 25.677 -5.802 17.512 1.00 5.87 C ATOM 1074 NZ LYS A 69 26.624 -5.101 16.616 1.00 5.66 N ATOM 1075 HA LYS A 69 21.602 -2.547 17.985 1.00 0.00 H ATOM 1076 HB2 LYS A 69 24.360 -2.334 19.237 1.00 0.00 H ATOM 1077 HB3 LYS A 69 23.110 -3.491 19.750 1.00 0.00 H ATOM 1078 HG2 LYS A 69 23.148 -4.497 17.500 1.00 0.00 H ATOM 1079 HG3 LYS A 69 24.442 -3.368 17.034 1.00 0.00 H ATOM 1080 HD2 LYS A 69 25.815 -4.238 18.929 1.00 0.00 H ATOM 1081 HD3 LYS A 69 24.540 -5.436 19.258 1.00 0.00 H ATOM 1082 HE2 LYS A 69 24.902 -6.275 16.909 1.00 0.00 H ATOM 1083 HE3 LYS A 69 26.217 -6.566 18.072 1.00 0.00 H ATOM 1084 HZ1 LYS A 69 26.114 -4.374 16.075 1.00 0.00 H ATOM 1085 HZ2 LYS A 69 27.370 -4.652 17.185 1.00 0.00 H ATOM 1086 HZ3 LYS A 69 27.052 -5.786 15.961 1.00 0.00 H ATOM 1087 H LYS A 69 24.009 -0.890 17.384 1.00 0.00 H ATOM 1088 N PRO A 70 20.846 -1.625 20.257 1.00 4.10 N ATOM 1089 CA PRO A 70 20.332 -0.913 21.418 1.00 4.25 C ATOM 1090 C PRO A 70 21.328 -0.905 22.562 1.00 4.14 C ATOM 1091 O PRO A 70 22.197 -1.782 22.643 1.00 5.51 O ATOM 1092 CB PRO A 70 19.097 -1.727 21.773 1.00 4.19 C ATOM 1093 CG PRO A 70 19.436 -3.128 21.353 1.00 3.84 C ATOM 1094 CD PRO A 70 20.170 -2.920 20.034 1.00 4.37 C ATOM 1095 HA PRO A 70 20.128 0.140 21.222 1.00 0.00 H ATOM 1096 HD3 PRO A 70 20.891 -3.717 19.852 1.00 0.00 H ATOM 1097 HD2 PRO A 70 19.473 -2.864 19.198 1.00 0.00 H ATOM 1098 HG3 PRO A 70 18.535 -3.724 21.211 1.00 0.00 H ATOM 1099 HG2 PRO A 70 20.079 -3.613 22.088 1.00 0.00 H ATOM 1100 HB2 PRO A 70 18.901 -1.682 22.844 1.00 0.00 H ATOM 1101 HB3 PRO A 70 18.225 -1.362 21.230 1.00 0.00 H ATOM 1102 N GLY A 71 21.215 0.052 23.468 1.00 3.68 N ATOM 1103 CA GLY A 71 22.037 0.142 24.675 1.00 4.24 C ATOM 1104 C GLY A 71 21.361 -0.515 25.887 1.00 4.65 C ATOM 1105 O GLY A 71 21.704 -0.183 27.020 1.00 5.72 O ATOM 1106 HA3 GLY A 71 22.217 1.193 24.900 1.00 0.00 H ATOM 1107 HA2 GLY A 71 22.988 -0.357 24.490 1.00 0.00 H ATOM 1108 H GLY A 71 20.496 0.787 23.313 1.00 0.00 H ATOM 1109 N TYR A 72 20.374 -1.346 25.662 1.00 3.89 N ATOM 1110 CA TYR A 72 19.661 -2.068 26.688 1.00 3.44 C ATOM 1111 C TYR A 72 19.429 -3.480 26.134 1.00 3.84 C ATOM 1112 O TYR A 72 19.579 -3.718 24.937 1.00 4.34 O ATOM 1113 CB TYR A 72 18.324 -1.376 27.009 1.00 4.00 C ATOM 1114 CG TYR A 72 17.338 -1.357 25.859 1.00 3.55 C ATOM 1115 CD1 TYR A 72 17.392 -0.346 24.900 1.00 3.52 C ATOM 1116 CD2 TYR A 72 16.369 -2.349 25.714 1.00 3.99 C ATOM 1117 CE1 TYR A 72 16.511 -0.311 23.826 1.00 3.36 C ATOM 1118 CE2 TYR A 72 15.494 -2.333 24.647 1.00 3.36 C ATOM 1119 CZ TYR A 72 15.573 -1.328 23.716 1.00 3.26 C ATOM 1120 OH TYR A 72 14.700 -1.353 22.656 1.00 3.14 O ATOM 1121 HA TYR A 72 20.228 -2.100 27.619 1.00 0.00 H ATOM 1122 HB3 TYR A 72 18.533 -0.346 27.296 1.00 0.00 H ATOM 1123 HB2 TYR A 72 17.862 -1.899 27.846 1.00 0.00 H ATOM 1124 HD2 TYR A 72 16.302 -3.147 26.453 1.00 0.00 H ATOM 1125 HE2 TYR A 72 14.743 -3.116 24.544 1.00 0.00 H ATOM 1126 HE1 TYR A 72 16.555 0.492 23.091 1.00 0.00 H ATOM 1127 HD1 TYR A 72 18.145 0.437 24.995 1.00 0.00 H ATOM 1128 HH TYR A 72 14.871 -0.573 22.070 1.00 0.00 H ATOM 1129 H TYR A 72 20.084 -1.496 24.675 1.00 0.00 H ATOM 1130 N SER A 73 19.043 -4.398 27.007 1.00 3.53 N ATOM 1131 CA SER A 73 18.684 -5.752 26.587 1.00 4.50 C ATOM 1132 C SER A 73 17.373 -6.105 27.271 1.00 4.45 C ATOM 1133 O SER A 73 17.137 -5.701 28.436 1.00 5.40 O ATOM 1134 CB SER A 73 19.736 -6.785 26.913 1.00 4.65 C ATOM 1135 OG SER A 73 19.920 -6.975 28.307 1.00 5.04 O ATOM 1136 HA SER A 73 18.593 -5.763 25.501 1.00 0.00 H ATOM 1137 HB2 SER A 73 20.683 -6.464 26.479 1.00 0.00 H ATOM 1138 HB3 SER A 73 19.438 -7.735 26.470 1.00 0.00 H ATOM 1139 HG SER A 73 20.619 -7.660 28.456 1.00 0.00 H ATOM 1140 H SER A 73 18.994 -4.150 28.016 1.00 0.00 H ATOM 1141 N MET A 74 16.496 -6.802 26.575 1.00 3.97 N ATOM 1142 CA MET A 74 15.203 -7.219 27.088 1.00 4.90 C ATOM 1143 C MET A 74 14.920 -8.666 26.718 1.00 4.74 C ATOM 1144 O MET A 74 13.783 -9.012 26.418 1.00 5.38 O ATOM 1145 CB MET A 74 14.059 -6.374 26.486 1.00 9.14 C ATOM 1146 CG MET A 74 13.980 -5.006 27.096 1.00 10.87 C ATOM 1147 SD MET A 74 12.662 -4.109 26.279 1.00 10.57 S ATOM 1148 CE MET A 74 11.240 -4.984 26.768 1.00 9.70 C ATOM 1149 HA MET A 74 15.243 -7.090 28.170 1.00 0.00 H ATOM 1150 HB2 MET A 74 14.226 -6.271 25.414 1.00 0.00 H ATOM 1151 HB3 MET A 74 13.114 -6.890 26.658 1.00 0.00 H ATOM 1152 HG2 MET A 74 14.926 -4.483 26.955 1.00 0.00 H ATOM 1153 HG3 MET A 74 13.766 -5.088 28.162 1.00 0.00 H ATOM 1154 HE1 MET A 74 11.317 -6.018 26.431 1.00 0.00 H ATOM 1155 HE2 MET A 74 11.156 -4.960 27.854 1.00 0.00 H ATOM 1156 HE3 MET A 74 10.359 -4.521 26.323 1.00 0.00 H ATOM 1157 H MET A 74 16.745 -7.069 25.601 1.00 0.00 H ATOM 1158 N ASN A 75 15.948 -9.524 26.726 1.00 3.48 N ATOM 1159 CA ASN A 75 15.651 -10.941 26.430 1.00 3.76 C ATOM 1160 C ASN A 75 14.850 -11.547 27.581 1.00 5.02 C ATOM 1161 O ASN A 75 15.254 -11.411 28.734 1.00 6.60 O ATOM 1162 CB ASN A 75 16.966 -11.700 26.209 1.00 3.93 C ATOM 1163 CG ASN A 75 17.635 -11.256 24.913 1.00 4.02 C ATOM 1164 OD1 ASN A 75 16.991 -11.220 23.866 1.00 3.52 O ATOM 1165 ND2 ASN A 75 18.911 -10.903 25.043 1.00 2.92 N ATOM 1166 HA ASN A 75 15.053 -11.017 25.522 1.00 0.00 H ATOM 1167 HB2 ASN A 75 17.638 -11.503 27.044 1.00 0.00 H ATOM 1168 HB3 ASN A 75 16.758 -12.769 26.156 1.00 0.00 H ATOM 1169 HD22 ASN A 75 19.376 -10.966 25.971 1.00 0.00 H ATOM 1170 HD21 ASN A 75 19.443 -10.564 24.217 1.00 0.00 H ATOM 1171 H ASN A 75 16.916 -9.206 26.932 1.00 0.00 H ATOM 1172 N ALA A 76 13.738 -12.173 27.316 1.00 6.65 N ATOM 1173 CA ALA A 76 12.861 -12.718 28.366 1.00 8.79 C ATOM 1174 C ALA A 76 12.784 -14.248 28.294 1.00 12.23 C ATOM 1175 O ALA A 76 13.183 -14.797 27.254 1.00 14.87 O ATOM 1176 CB ALA A 76 11.507 -12.046 28.241 1.00 10.37 C ATOM 1177 HA ALA A 76 13.268 -12.502 29.354 1.00 0.00 H ATOM 1178 OXT ALA A 76 12.335 -14.864 29.259 1.00 14.87 O ATOM 1179 HB1 ALA A 76 11.624 -10.970 28.368 1.00 0.00 H ATOM 1180 HB2 ALA A 76 11.089 -12.253 27.256 1.00 0.00 H ATOM 1181 HB3 ALA A 76 10.838 -12.434 29.009 1.00 0.00 H ATOM 1182 H ALA A 76 13.458 -12.293 26.321 1.00 0.00 H TER 1183 ALA A 76 ATOM 1184 N PRO B 1 13.675 4.268 20.786 1.00 5.10 N ATOM 1185 CA PRO B 1 12.910 3.980 19.559 1.00 3.64 C ATOM 1186 C PRO B 1 13.629 2.968 18.680 1.00 4.19 C ATOM 1187 O PRO B 1 14.850 2.901 18.767 1.00 4.00 O ATOM 1188 CB PRO B 1 12.809 5.318 18.825 1.00 5.12 C ATOM 1189 CG PRO B 1 13.023 6.345 19.866 1.00 5.49 C ATOM 1190 CD PRO B 1 14.014 5.719 20.798 1.00 6.25 C ATOM 1191 HA PRO B 1 11.935 3.554 19.797 1.00 0.00 H ATOM 1192 HD3 PRO B 1 15.032 5.880 20.443 1.00 0.00 H ATOM 1193 HD2 PRO B 1 13.912 6.130 21.802 1.00 0.00 H ATOM 1194 HG3 PRO B 1 12.091 6.570 20.385 1.00 0.00 H ATOM 1195 HG2 PRO B 1 13.425 7.260 19.431 1.00 0.00 H ATOM 1196 HB2 PRO B 1 13.575 5.390 18.053 1.00 0.00 H ATOM 1197 HB3 PRO B 1 11.825 5.432 18.371 1.00 0.00 H ATOM 1198 N HIS B 2 12.866 2.262 17.838 1.00 3.11 N ATOM 1199 CA HIS B 2 13.460 1.311 16.888 1.00 3.13 C ATOM 1200 C HIS B 2 13.140 1.777 15.476 1.00 2.88 C ATOM 1201 O HIS B 2 11.961 2.018 15.127 1.00 2.74 O ATOM 1202 CB HIS B 2 12.934 -0.116 17.120 1.00 3.12 C ATOM 1203 CG HIS B 2 13.538 -1.055 16.116 1.00 3.73 C ATOM 1204 ND1 HIS B 2 14.906 -1.322 16.064 1.00 3.67 N ATOM 1205 CD2 HIS B 2 12.954 -1.731 15.102 1.00 4.07 C ATOM 1206 CE1 HIS B 2 15.109 -2.159 15.060 1.00 3.59 C ATOM 1207 NE2 HIS B 2 13.952 -2.411 14.455 1.00 4.45 N ATOM 1208 HA HIS B 2 14.540 1.282 17.036 1.00 0.00 H ATOM 1209 HB2 HIS B 2 13.202 -0.441 18.125 1.00 0.00 H ATOM 1210 HB3 HIS B 2 11.849 -0.123 17.014 1.00 0.00 H ATOM 1211 HD2 HIS B 2 11.894 -1.735 14.848 1.00 0.00 H ATOM 1212 HE1 HIS B 2 16.074 -2.577 14.773 1.00 0.00 H ATOM 1213 H HIS B 2 11.834 2.388 17.856 1.00 0.00 H ATOM 1214 N ILE B 3 14.174 1.972 14.665 1.00 2.83 N ATOM 1215 CA ILE B 3 14.017 2.473 13.296 1.00 2.93 C ATOM 1216 C ILE B 3 14.406 1.376 12.315 1.00 3.18 C ATOM 1217 O ILE B 3 15.503 0.805 12.430 1.00 4.16 O ATOM 1218 CB ILE B 3 14.869 3.737 13.075 1.00 4.00 C ATOM 1219 CG1 ILE B 3 14.484 4.855 14.058 1.00 5.22 C ATOM 1220 CG2 ILE B 3 14.698 4.267 11.656 1.00 4.25 C ATOM 1221 CD1 ILE B 3 15.191 4.865 15.396 1.00 6.90 C ATOM 1222 HA ILE B 3 12.975 2.748 13.130 1.00 0.00 H ATOM 1223 HB ILE B 3 15.907 3.449 13.243 1.00 0.00 H ATOM 1224 HG12 ILE B 3 14.689 5.808 13.570 1.00 0.00 H ATOM 1225 HG13 ILE B 3 13.415 4.770 14.251 1.00 0.00 H ATOM 1226 HD11 ILE B 3 14.989 3.930 15.919 1.00 0.00 H ATOM 1227 HD12 ILE B 3 16.264 4.969 15.238 1.00 0.00 H ATOM 1228 HD13 ILE B 3 14.827 5.702 15.991 1.00 0.00 H ATOM 1229 HG21 ILE B 3 15.012 3.503 10.944 1.00 0.00 H ATOM 1230 HG22 ILE B 3 13.650 4.516 11.486 1.00 0.00 H ATOM 1231 HG23 ILE B 3 15.310 5.160 11.527 1.00 0.00 H ATOM 1232 H ILE B 3 15.131 1.761 15.014 1.00 0.00 H ATOM 1233 N ASP B 4 13.521 1.122 11.367 1.00 3.06 N ATOM 1234 CA ASP B 4 13.767 0.128 10.343 1.00 3.72 C ATOM 1235 C ASP B 4 13.833 0.814 8.987 1.00 2.94 C ATOM 1236 O ASP B 4 12.880 1.530 8.652 1.00 3.84 O ATOM 1237 CB ASP B 4 12.655 -0.935 10.344 1.00 4.23 C ATOM 1238 CG ASP B 4 12.926 -2.033 9.343 1.00 4.85 C ATOM 1239 OD1 ASP B 4 12.504 -1.948 8.174 1.00 5.92 O ATOM 1240 OD2 ASP B 4 13.639 -3.001 9.684 1.00 6.70 O ATOM 1241 HA ASP B 4 14.715 -0.370 10.548 1.00 0.00 H ATOM 1242 HB2 ASP B 4 12.587 -1.374 11.339 1.00 0.00 H ATOM 1243 HB3 ASP B 4 11.708 -0.456 10.094 1.00 0.00 H ATOM 1244 H ASP B 4 12.625 1.650 11.356 1.00 0.00 H ATOM 1245 N ILE B 5 14.919 0.617 8.253 1.00 3.05 N ATOM 1246 CA ILE B 5 15.080 1.198 6.935 1.00 3.55 C ATOM 1247 C ILE B 5 15.102 0.085 5.896 1.00 3.72 C ATOM 1248 O ILE B 5 15.984 -0.773 5.991 1.00 3.71 O ATOM 1249 CB ILE B 5 16.404 1.992 6.826 1.00 4.35 C ATOM 1250 CG1 ILE B 5 16.461 3.074 7.898 1.00 4.74 C ATOM 1251 CG2 ILE B 5 16.564 2.545 5.411 1.00 4.62 C ATOM 1252 CD1 ILE B 5 17.827 3.689 8.092 1.00 6.23 C ATOM 1253 HA ILE B 5 14.246 1.878 6.763 1.00 0.00 H ATOM 1254 HB ILE B 5 17.250 1.329 7.007 1.00 0.00 H ATOM 1255 HG12 ILE B 5 15.766 3.867 7.620 1.00 0.00 H ATOM 1256 HG13 ILE B 5 16.148 2.633 8.844 1.00 0.00 H ATOM 1257 HD11 ILE B 5 18.535 2.913 8.384 1.00 0.00 H ATOM 1258 HD12 ILE B 5 18.153 4.148 7.159 1.00 0.00 H ATOM 1259 HD13 ILE B 5 17.775 4.448 8.873 1.00 0.00 H ATOM 1260 HG21 ILE B 5 16.580 1.720 4.699 1.00 0.00 H ATOM 1261 HG22 ILE B 5 15.728 3.206 5.184 1.00 0.00 H ATOM 1262 HG23 ILE B 5 17.498 3.102 5.344 1.00 0.00 H ATOM 1263 H ILE B 5 15.683 0.024 8.637 1.00 0.00 H ATOM 1264 N LYS B 6 14.129 0.103 4.984 1.00 3.31 N ATOM 1265 CA LYS B 6 14.080 -0.876 3.919 1.00 3.89 C ATOM 1266 C LYS B 6 14.432 -0.182 2.599 1.00 4.73 C ATOM 1267 O LYS B 6 13.872 0.879 2.280 1.00 5.15 O ATOM 1268 CB LYS B 6 12.724 -1.560 3.782 1.00 4.35 C ATOM 1269 CG LYS B 6 12.467 -2.609 4.853 1.00 5.13 C ATOM 1270 CD LYS B 6 11.066 -3.180 4.749 1.00 6.43 C ATOM 1271 CE LYS B 6 10.862 -4.339 5.703 1.00 7.81 C ATOM 1272 NZ LYS B 6 10.799 -3.869 7.113 1.00 8.15 N ATOM 1273 HA LYS B 6 14.798 -1.658 4.166 1.00 0.00 H ATOM 1274 HB2 LYS B 6 11.945 -0.800 3.848 1.00 0.00 H ATOM 1275 HB3 LYS B 6 12.677 -2.043 2.806 1.00 0.00 H ATOM 1276 HG2 LYS B 6 13.189 -3.418 4.737 1.00 0.00 H ATOM 1277 HG3 LYS B 6 12.591 -2.151 5.834 1.00 0.00 H ATOM 1278 HD2 LYS B 6 10.346 -2.396 4.985 1.00 0.00 H ATOM 1279 HD3 LYS B 6 10.901 -3.528 3.729 1.00 0.00 H ATOM 1280 HE2 LYS B 6 11.692 -5.038 5.597 1.00 0.00 H ATOM 1281 HE3 LYS B 6 9.929 -4.845 5.454 1.00 0.00 H ATOM 1282 HZ1 LYS B 6 11.689 -3.390 7.357 1.00 0.00 H ATOM 1283 HZ2 LYS B 6 10.005 -3.206 7.221 1.00 0.00 H ATOM 1284 HZ3 LYS B 6 10.659 -4.684 7.743 1.00 0.00 H ATOM 1285 H LYS B 6 13.392 0.834 5.039 1.00 0.00 H ATOM 1286 N CYS B 7 15.349 -0.809 1.847 1.00 5.05 N ATOM 1287 CA CYS B 7 15.787 -0.189 0.583 1.00 6.16 C ATOM 1288 C CYS B 7 16.240 -1.250 -0.406 1.00 7.00 C ATOM 1289 O CYS B 7 16.514 -2.383 -0.021 1.00 6.98 O ATOM 1290 CB CYS B 7 16.903 0.802 0.862 1.00 6.58 C ATOM 1291 SG CYS B 7 18.426 0.076 1.503 1.00 7.39 S ATOM 1292 HA CYS B 7 14.947 0.343 0.137 1.00 0.00 H ATOM 1293 HB2 CYS B 7 16.539 1.525 1.592 1.00 0.00 H ATOM 1294 HB3 CYS B 7 17.139 1.316 -0.069 1.00 0.00 H ATOM 1295 HG CYS B 7 18.922 -0.831 0.589 1.00 0.00 H ATOM 1296 H CYS B 7 15.746 -1.721 2.152 1.00 0.00 H ATOM 1297 N PHE B 8 16.396 -0.841 -1.671 1.00 7.71 N ATOM 1298 CA PHE B 8 16.913 -1.743 -2.689 1.00 8.62 C ATOM 1299 C PHE B 8 18.392 -2.006 -2.423 1.00 9.75 C ATOM 1300 O PHE B 8 19.024 -1.227 -1.710 1.00 9.60 O ATOM 1301 CB PHE B 8 16.721 -1.182 -4.094 1.00 10.15 C ATOM 1302 CG PHE B 8 15.321 -1.163 -4.634 1.00 12.91 C ATOM 1303 CD1 PHE B 8 14.265 -1.789 -4.012 1.00 14.96 C ATOM 1304 CD2 PHE B 8 15.087 -0.533 -5.858 1.00 14.97 C ATOM 1305 CE1 PHE B 8 12.988 -1.754 -4.541 1.00 16.35 C ATOM 1306 CE2 PHE B 8 13.815 -0.505 -6.409 1.00 16.46 C ATOM 1307 CZ PHE B 8 12.773 -1.113 -5.750 1.00 17.14 C ATOM 1308 HA PHE B 8 16.354 -2.677 -2.635 1.00 0.00 H ATOM 1309 HB2 PHE B 8 17.087 -0.155 -4.091 1.00 0.00 H ATOM 1310 HB3 PHE B 8 17.328 -1.781 -4.773 1.00 0.00 H ATOM 1311 HD2 PHE B 8 15.914 -0.058 -6.386 1.00 0.00 H ATOM 1312 HE2 PHE B 8 13.642 -0.003 -7.361 1.00 0.00 H ATOM 1313 HZ PHE B 8 11.772 -1.091 -6.181 1.00 0.00 H ATOM 1314 HE1 PHE B 8 12.160 -2.226 -4.012 1.00 0.00 H ATOM 1315 HD1 PHE B 8 14.440 -2.326 -3.079 1.00 0.00 H ATOM 1316 H PHE B 8 16.144 0.134 -1.930 1.00 0.00 H ATOM 1317 N PRO B 9 18.921 -3.097 -2.975 1.00 11.78 N ATOM 1318 CA PRO B 9 20.279 -3.506 -2.724 1.00 13.56 C ATOM 1319 C PRO B 9 21.340 -2.480 -3.072 1.00 14.95 C ATOM 1320 O PRO B 9 21.251 -1.824 -4.107 1.00 15.45 O ATOM 1321 CB PRO B 9 20.433 -4.776 -3.555 1.00 14.82 C ATOM 1322 CG PRO B 9 19.044 -5.281 -3.769 1.00 14.21 C ATOM 1323 CD PRO B 9 18.185 -4.044 -3.858 1.00 12.92 C ATOM 1324 HA PRO B 9 20.439 -3.650 -1.656 1.00 0.00 H ATOM 1325 HD3 PRO B 9 18.130 -3.672 -4.881 1.00 0.00 H ATOM 1326 HD2 PRO B 9 17.178 -4.232 -3.486 1.00 0.00 H ATOM 1327 HG3 PRO B 9 18.730 -5.906 -2.932 1.00 0.00 H ATOM 1328 HG2 PRO B 9 18.984 -5.856 -4.693 1.00 0.00 H ATOM 1329 HB2 PRO B 9 20.909 -4.552 -4.510 1.00 0.00 H ATOM 1330 HB3 PRO B 9 21.029 -5.514 -3.018 1.00 0.00 H ATOM 1331 N ARG B 10 22.279 -2.279 -2.166 1.00 17.08 N ATOM 1332 CA ARG B 10 23.367 -1.335 -2.324 1.00 19.33 C ATOM 1333 C ARG B 10 24.652 -1.828 -1.646 1.00 20.91 C ATOM 1334 O ARG B 10 24.565 -2.519 -0.651 1.00 22.32 O ATOM 1335 CB ARG B 10 23.082 -0.019 -1.616 1.00 20.30 C ATOM 1336 CG ARG B 10 22.052 0.872 -2.270 1.00 19.82 C ATOM 1337 CD ARG B 10 21.359 1.576 -1.098 1.00 18.36 C ATOM 1338 NE ARG B 10 20.732 2.766 -1.635 1.00 16.56 N ATOM 1339 CZ ARG B 10 19.488 2.777 -2.098 1.00 15.70 C ATOM 1340 NH1 ARG B 10 18.767 1.667 -2.075 1.00 15.11 N ATOM 1341 NH2 ARG B 10 18.983 3.923 -2.540 1.00 16.00 N ATOM 1342 HA ARG B 10 23.474 -1.221 -3.403 1.00 0.00 H ATOM 1343 HB2 ARG B 10 22.734 -0.250 -0.609 1.00 0.00 H ATOM 1344 HB3 ARG B 10 24.017 0.538 -1.557 1.00 0.00 H ATOM 1345 HG2 ARG B 10 22.531 1.597 -2.928 1.00 0.00 H ATOM 1346 HG3 ARG B 10 21.337 0.281 -2.842 1.00 0.00 H ATOM 1347 HD2 ARG B 10 22.091 1.848 -0.338 1.00 0.00 H ATOM 1348 HD3 ARG B 10 20.607 0.921 -0.658 1.00 0.00 H ATOM 1349 HE ARG B 10 21.280 3.650 -1.659 1.00 0.00 H ATOM 1350 HH12 ARG B 10 17.792 1.673 -2.437 1.00 0.00 H ATOM 1351 HH11 ARG B 10 19.175 0.789 -1.695 1.00 0.00 H ATOM 1352 HH22 ARG B 10 18.011 3.955 -2.907 1.00 0.00 H ATOM 1353 HH21 ARG B 10 19.560 4.788 -2.519 1.00 0.00 H ATOM 1354 H ARG B 10 22.235 -2.831 -1.286 1.00 0.00 H ATOM 1355 N GLU B 11 25.794 -1.416 -2.165 1.00 22.21 N ATOM 1356 CA GLU B 11 27.067 -1.757 -1.531 1.00 22.28 C ATOM 1357 C GLU B 11 27.333 -0.707 -0.459 1.00 21.44 C ATOM 1358 O GLU B 11 27.514 0.468 -0.797 1.00 23.59 O ATOM 1359 CB GLU B 11 28.190 -1.767 -2.557 1.00 23.69 C ATOM 1360 HA GLU B 11 27.021 -2.753 -1.091 1.00 0.00 H ATOM 1361 HB2 GLU B 11 27.970 -2.505 -3.328 1.00 0.00 H ATOM 1362 HB3 GLU B 11 28.274 -0.780 -3.011 1.00 0.00 H ATOM 1363 H GLU B 11 25.788 -0.843 -3.033 1.00 0.00 H ATOM 1364 N LEU B 12 27.282 -1.084 0.802 1.00 20.41 N ATOM 1365 CA LEU B 12 27.535 -0.174 1.908 1.00 18.92 C ATOM 1366 C LEU B 12 28.579 -0.788 2.849 1.00 16.58 C ATOM 1367 O LEU B 12 28.353 -1.897 3.350 1.00 16.92 O ATOM 1368 CB LEU B 12 26.303 0.158 2.711 1.00 19.94 C ATOM 1369 CG LEU B 12 25.372 1.328 2.487 1.00 20.85 C ATOM 1370 CD1 LEU B 12 25.396 1.967 1.122 1.00 20.89 C ATOM 1371 CD2 LEU B 12 23.944 0.885 2.811 1.00 20.92 C ATOM 1372 HA LEU B 12 27.893 0.755 1.463 1.00 0.00 H ATOM 1373 HB2 LEU B 12 25.670 -0.726 2.638 1.00 0.00 H ATOM 1374 HB3 LEU B 12 26.654 0.268 3.737 1.00 0.00 H ATOM 1375 HG LEU B 12 25.740 2.108 3.153 1.00 0.00 H ATOM 1376 HD21 LEU B 12 23.665 0.058 2.159 1.00 0.00 H ATOM 1377 HD22 LEU B 12 23.892 0.563 3.851 1.00 0.00 H ATOM 1378 HD23 LEU B 12 23.261 1.720 2.654 1.00 0.00 H ATOM 1379 HD11 LEU B 12 26.398 2.344 0.916 1.00 0.00 H ATOM 1380 HD12 LEU B 12 25.124 1.226 0.370 1.00 0.00 H ATOM 1381 HD13 LEU B 12 24.684 2.792 1.096 1.00 0.00 H ATOM 1382 H LEU B 12 27.051 -2.075 1.016 1.00 0.00 H ATOM 1383 N ASP B 13 29.665 -0.065 3.083 1.00 14.17 N ATOM 1384 CA ASP B 13 30.698 -0.581 3.970 1.00 13.17 C ATOM 1385 C ASP B 13 30.438 -0.231 5.428 1.00 11.01 C ATOM 1386 O ASP B 13 29.435 0.425 5.737 1.00 10.80 O ATOM 1387 CB ASP B 13 32.096 -0.185 3.519 1.00 13.78 C ATOM 1388 CG ASP B 13 32.436 1.279 3.595 1.00 14.39 C ATOM 1389 OD1 ASP B 13 31.789 2.064 4.346 1.00 13.57 O ATOM 1390 OD2 ASP B 13 33.371 1.711 2.885 1.00 16.81 O ATOM 1391 HA ASP B 13 30.648 -1.668 3.903 1.00 0.00 H ATOM 1392 HB2 ASP B 13 32.810 -0.724 4.141 1.00 0.00 H ATOM 1393 HB3 ASP B 13 32.211 -0.499 2.481 1.00 0.00 H ATOM 1394 H ASP B 13 29.779 0.867 2.635 1.00 0.00 H ATOM 1395 N GLU B 14 31.282 -0.643 6.352 1.00 10.18 N ATOM 1396 CA GLU B 14 31.065 -0.453 7.777 1.00 10.91 C ATOM 1397 C GLU B 14 31.052 1.010 8.161 1.00 9.80 C ATOM 1398 O GLU B 14 30.190 1.461 8.928 1.00 8.50 O ATOM 1399 CB GLU B 14 32.039 -1.260 8.652 1.00 13.77 C ATOM 1400 CG GLU B 14 31.750 -2.754 8.641 1.00 19.22 C ATOM 1401 CD GLU B 14 30.628 -3.256 9.508 1.00 22.36 C ATOM 1402 OE1 GLU B 14 29.617 -2.602 9.831 1.00 22.50 O ATOM 1403 OE2 GLU B 14 30.746 -4.441 9.933 1.00 25.56 O ATOM 1404 HA GLU B 14 30.071 -0.853 7.979 1.00 0.00 H ATOM 1405 HB2 GLU B 14 33.052 -1.099 8.284 1.00 0.00 H ATOM 1406 HB3 GLU B 14 31.965 -0.899 9.678 1.00 0.00 H ATOM 1407 HG2 GLU B 14 31.518 -3.033 7.613 1.00 0.00 H ATOM 1408 HG3 GLU B 14 32.660 -3.264 8.958 1.00 0.00 H ATOM 1409 H GLU B 14 32.149 -1.130 6.046 1.00 0.00 H ATOM 1410 N GLN B 15 31.959 1.796 7.638 1.00 9.13 N ATOM 1411 CA GLN B 15 31.995 3.230 7.885 1.00 9.48 C ATOM 1412 C GLN B 15 30.700 3.914 7.413 1.00 7.77 C ATOM 1413 O GLN B 15 30.110 4.722 8.141 1.00 7.17 O ATOM 1414 CB GLN B 15 33.210 3.839 7.180 1.00 12.90 C ATOM 1415 CG GLN B 15 33.289 5.345 7.378 1.00 17.51 C ATOM 1416 CD GLN B 15 34.638 5.909 6.985 1.00 21.63 C ATOM 1417 OE1 GLN B 15 35.004 6.995 7.434 1.00 23.43 O ATOM 1418 NE2 GLN B 15 35.380 5.184 6.161 1.00 24.03 N ATOM 1419 HA GLN B 15 32.078 3.394 8.959 1.00 0.00 H ATOM 1420 HB2 GLN B 15 34.115 3.383 7.581 1.00 0.00 H ATOM 1421 HB3 GLN B 15 33.141 3.627 6.113 1.00 0.00 H ATOM 1422 HG2 GLN B 15 32.520 5.819 6.768 1.00 0.00 H ATOM 1423 HG3 GLN B 15 33.108 5.570 8.429 1.00 0.00 H ATOM 1424 HE22 GLN B 15 35.026 4.272 5.809 1.00 0.00 H ATOM 1425 HE21 GLN B 15 36.317 5.527 5.866 1.00 0.00 H ATOM 1426 H GLN B 15 32.684 1.378 7.020 1.00 0.00 H ATOM 1427 N GLN B 16 30.210 3.539 6.254 1.00 6.57 N ATOM 1428 CA GLN B 16 28.986 4.088 5.682 1.00 6.97 C ATOM 1429 C GLN B 16 27.789 3.741 6.543 1.00 6.33 C ATOM 1430 O GLN B 16 26.896 4.568 6.804 1.00 6.02 O ATOM 1431 CB GLN B 16 28.730 3.585 4.265 1.00 9.93 C ATOM 1432 CG GLN B 16 29.624 4.269 3.258 1.00 12.17 C ATOM 1433 CD GLN B 16 29.772 3.608 1.925 1.00 14.21 C ATOM 1434 OE1 GLN B 16 29.561 2.418 1.714 1.00 13.59 O ATOM 1435 NE2 GLN B 16 30.162 4.405 0.934 1.00 16.71 N ATOM 1436 HA GLN B 16 29.123 5.169 5.645 1.00 0.00 H ATOM 1437 HB2 GLN B 16 28.917 2.512 4.232 1.00 0.00 H ATOM 1438 HB3 GLN B 16 27.690 3.779 4.004 1.00 0.00 H ATOM 1439 HG2 GLN B 16 29.224 5.268 3.088 1.00 0.00 H ATOM 1440 HG3 GLN B 16 30.618 4.347 3.699 1.00 0.00 H ATOM 1441 HE22 GLN B 16 30.340 5.413 1.117 1.00 0.00 H ATOM 1442 HE21 GLN B 16 30.289 4.020 -0.024 1.00 0.00 H ATOM 1443 H GLN B 16 30.722 2.812 5.715 1.00 0.00 H ATOM 1444 N LYS B 17 27.688 2.501 6.987 1.00 5.59 N ATOM 1445 CA LYS B 17 26.586 2.042 7.828 1.00 5.84 C ATOM 1446 C LYS B 17 26.582 2.818 9.136 1.00 4.39 C ATOM 1447 O LYS B 17 25.510 3.261 9.578 1.00 4.21 O ATOM 1448 CB LYS B 17 26.680 0.532 8.086 1.00 7.35 C ATOM 1449 CG LYS B 17 26.313 -0.327 6.879 1.00 11.33 C ATOM 1450 CD LYS B 17 26.595 -1.802 7.155 1.00 14.77 C ATOM 1451 CE LYS B 17 26.181 -2.690 5.998 1.00 18.79 C ATOM 1452 NZ LYS B 17 26.430 -4.121 6.374 1.00 21.72 N ATOM 1453 HA LYS B 17 25.647 2.226 7.306 1.00 0.00 H ATOM 1454 HB2 LYS B 17 27.704 0.296 8.376 1.00 0.00 H ATOM 1455 HB3 LYS B 17 26.005 0.281 8.904 1.00 0.00 H ATOM 1456 HG2 LYS B 17 25.253 -0.201 6.660 1.00 0.00 H ATOM 1457 HG3 LYS B 17 26.901 -0.005 6.019 1.00 0.00 H ATOM 1458 HD2 LYS B 17 27.663 -1.929 7.330 1.00 0.00 H ATOM 1459 HD3 LYS B 17 26.043 -2.105 8.045 1.00 0.00 H ATOM 1460 HE2 LYS B 17 26.765 -2.436 5.114 1.00 0.00 H ATOM 1461 HE3 LYS B 17 25.122 -2.546 5.786 1.00 0.00 H ATOM 1462 HZ1 LYS B 17 27.441 -4.254 6.577 1.00 0.00 H ATOM 1463 HZ2 LYS B 17 25.872 -4.358 7.219 1.00 0.00 H ATOM 1464 HZ3 LYS B 17 26.149 -4.739 5.586 1.00 0.00 H ATOM 1465 H LYS B 17 28.428 1.819 6.725 1.00 0.00 H ATOM 1466 N ALA B 18 27.749 3.000 9.761 1.00 3.93 N ATOM 1467 CA ALA B 18 27.841 3.680 11.033 1.00 4.35 C ATOM 1468 C ALA B 18 27.512 5.161 10.874 1.00 4.56 C ATOM 1469 O ALA B 18 26.875 5.731 11.766 1.00 3.53 O ATOM 1470 CB ALA B 18 29.220 3.511 11.678 1.00 4.16 C ATOM 1471 HA ALA B 18 27.109 3.220 11.697 1.00 0.00 H ATOM 1472 HB1 ALA B 18 29.415 2.451 11.844 1.00 0.00 H ATOM 1473 HB2 ALA B 18 29.982 3.923 11.016 1.00 0.00 H ATOM 1474 HB3 ALA B 18 29.241 4.039 12.631 1.00 0.00 H ATOM 1475 H ALA B 18 28.619 2.641 9.318 1.00 0.00 H ATOM 1476 N ALA B 19 27.920 5.801 9.788 1.00 3.66 N ATOM 1477 CA ALA B 19 27.617 7.226 9.574 1.00 3.85 C ATOM 1478 C ALA B 19 26.122 7.424 9.336 1.00 3.92 C ATOM 1479 O ALA B 19 25.514 8.374 9.861 1.00 3.80 O ATOM 1480 CB ALA B 19 28.432 7.750 8.413 1.00 4.21 C ATOM 1481 HA ALA B 19 27.886 7.790 10.467 1.00 0.00 H ATOM 1482 HB1 ALA B 19 29.493 7.634 8.634 1.00 0.00 H ATOM 1483 HB2 ALA B 19 28.184 7.187 7.513 1.00 0.00 H ATOM 1484 HB3 ALA B 19 28.205 8.805 8.258 1.00 0.00 H ATOM 1485 H ALA B 19 28.467 5.285 9.070 1.00 0.00 H ATOM 1486 N LEU B 20 25.496 6.560 8.559 1.00 3.48 N ATOM 1487 CA LEU B 20 24.040 6.610 8.379 1.00 2.94 C ATOM 1488 C LEU B 20 23.336 6.444 9.723 1.00 3.51 C ATOM 1489 O LEU B 20 22.456 7.217 10.099 1.00 3.06 O ATOM 1490 CB LEU B 20 23.606 5.474 7.454 1.00 2.91 C ATOM 1491 CG LEU B 20 22.106 5.191 7.408 1.00 3.07 C ATOM 1492 CD1 LEU B 20 21.258 6.388 7.000 1.00 3.47 C ATOM 1493 CD2 LEU B 20 21.829 3.996 6.491 1.00 3.42 C ATOM 1494 HA LEU B 20 23.772 7.574 7.946 1.00 0.00 H ATOM 1495 HB2 LEU B 20 23.931 5.722 6.444 1.00 0.00 H ATOM 1496 HB3 LEU B 20 24.108 4.564 7.783 1.00 0.00 H ATOM 1497 HG LEU B 20 21.807 4.957 8.430 1.00 0.00 H ATOM 1498 HD21 LEU B 20 22.184 4.221 5.485 1.00 0.00 H ATOM 1499 HD22 LEU B 20 22.350 3.118 6.873 1.00 0.00 H ATOM 1500 HD23 LEU B 20 20.757 3.801 6.464 1.00 0.00 H ATOM 1501 HD11 LEU B 20 21.410 7.199 7.712 1.00 0.00 H ATOM 1502 HD12 LEU B 20 21.553 6.718 6.004 1.00 0.00 H ATOM 1503 HD13 LEU B 20 20.206 6.101 6.993 1.00 0.00 H ATOM 1504 H LEU B 20 26.046 5.829 8.064 1.00 0.00 H ATOM 1505 N ALA B 21 23.777 5.442 10.505 1.00 2.98 N ATOM 1506 CA ALA B 21 23.156 5.267 11.831 1.00 3.14 C ATOM 1507 C ALA B 21 23.316 6.484 12.730 1.00 2.92 C ATOM 1508 O ALA B 21 22.383 6.816 13.464 1.00 2.78 O ATOM 1509 CB ALA B 21 23.789 4.037 12.481 1.00 3.31 C ATOM 1510 HA ALA B 21 22.082 5.137 11.697 1.00 0.00 H ATOM 1511 HB1 ALA B 21 23.605 3.163 11.857 1.00 0.00 H ATOM 1512 HB2 ALA B 21 24.863 4.193 12.582 1.00 0.00 H ATOM 1513 HB3 ALA B 21 23.349 3.881 13.466 1.00 0.00 H ATOM 1514 H ALA B 21 24.536 4.808 10.183 1.00 0.00 H ATOM 1515 N ALA B 22 24.493 7.134 12.703 1.00 3.07 N ATOM 1516 CA ALA B 22 24.702 8.302 13.554 1.00 3.40 C ATOM 1517 C ALA B 22 23.843 9.503 13.139 1.00 3.34 C ATOM 1518 O ALA B 22 23.213 10.148 13.980 1.00 2.66 O ATOM 1519 CB ALA B 22 26.166 8.707 13.529 1.00 3.15 C ATOM 1520 HA ALA B 22 24.400 8.013 14.561 1.00 0.00 H ATOM 1521 HB1 ALA B 22 26.776 7.882 13.895 1.00 0.00 H ATOM 1522 HB2 ALA B 22 26.457 8.950 12.507 1.00 0.00 H ATOM 1523 HB3 ALA B 22 26.311 9.579 14.167 1.00 0.00 H ATOM 1524 H ALA B 22 25.255 6.805 12.076 1.00 0.00 H ATOM 1525 N ASP B 23 23.686 9.734 11.838 1.00 3.00 N ATOM 1526 CA ASP B 23 22.820 10.841 11.391 1.00 3.24 C ATOM 1527 C ASP B 23 21.366 10.560 11.726 1.00 2.71 C ATOM 1528 O ASP B 23 20.654 11.457 12.166 1.00 2.93 O ATOM 1529 CB ASP B 23 23.006 11.122 9.896 1.00 2.97 C ATOM 1530 CG ASP B 23 24.104 12.112 9.567 1.00 3.10 C ATOM 1531 OD1 ASP B 23 24.815 12.621 10.454 1.00 3.37 O ATOM 1532 OD2 ASP B 23 24.263 12.386 8.343 1.00 2.99 O ATOM 1533 HA ASP B 23 23.118 11.740 11.931 1.00 0.00 H ATOM 1534 HB2 ASP B 23 23.239 10.180 9.400 1.00 0.00 H ATOM 1535 HB3 ASP B 23 22.067 11.514 9.505 1.00 0.00 H ATOM 1536 H ASP B 23 24.172 9.136 11.139 1.00 0.00 H ATOM 1537 N ILE B 24 20.900 9.306 11.588 1.00 3.22 N ATOM 1538 CA ILE B 24 19.538 8.940 11.974 1.00 3.20 C ATOM 1539 C ILE B 24 19.397 9.104 13.474 1.00 3.15 C ATOM 1540 O ILE B 24 18.372 9.670 13.909 1.00 2.76 O ATOM 1541 CB ILE B 24 19.184 7.508 11.554 1.00 3.66 C ATOM 1542 CG1 ILE B 24 19.102 7.332 10.036 1.00 3.11 C ATOM 1543 CG2 ILE B 24 17.885 7.039 12.217 1.00 4.01 C ATOM 1544 CD1 ILE B 24 17.946 7.996 9.320 1.00 4.03 C ATOM 1545 HA ILE B 24 18.841 9.599 11.456 1.00 0.00 H ATOM 1546 HB ILE B 24 20.004 6.881 11.903 1.00 0.00 H ATOM 1547 HG12 ILE B 24 20.023 7.730 9.610 1.00 0.00 H ATOM 1548 HG13 ILE B 24 19.042 6.263 9.833 1.00 0.00 H ATOM 1549 HD11 ILE B 24 17.006 7.604 9.709 1.00 0.00 H ATOM 1550 HD12 ILE B 24 17.988 9.073 9.485 1.00 0.00 H ATOM 1551 HD13 ILE B 24 18.014 7.788 8.252 1.00 0.00 H ATOM 1552 HG21 ILE B 24 18.002 7.065 13.300 1.00 0.00 H ATOM 1553 HG22 ILE B 24 17.069 7.699 11.922 1.00 0.00 H ATOM 1554 HG23 ILE B 24 17.663 6.021 11.898 1.00 0.00 H ATOM 1555 H ILE B 24 21.527 8.575 11.195 1.00 0.00 H ATOM 1556 N THR B 25 20.362 8.650 14.258 1.00 2.78 N ATOM 1557 CA THR B 25 20.294 8.772 15.716 1.00 3.28 C ATOM 1558 C THR B 25 20.054 10.221 16.129 1.00 3.44 C ATOM 1559 O THR B 25 19.201 10.485 16.977 1.00 2.89 O ATOM 1560 CB THR B 25 21.623 8.285 16.311 1.00 3.14 C ATOM 1561 OG1 THR B 25 21.633 6.846 16.156 1.00 3.63 O ATOM 1562 CG2 THR B 25 21.777 8.609 17.786 1.00 4.05 C ATOM 1563 HA THR B 25 19.465 8.169 16.086 1.00 0.00 H ATOM 1564 HB THR B 25 22.442 8.786 15.795 1.00 0.00 H ATOM 1565 HG1 THR B 25 21.568 6.618 15.195 1.00 0.00 H ATOM 1566 HG23 THR B 25 21.772 9.691 17.922 1.00 0.00 H ATOM 1567 HG21 THR B 25 20.950 8.168 18.342 1.00 0.00 H ATOM 1568 HG22 THR B 25 22.720 8.201 18.150 1.00 0.00 H ATOM 1569 H THR B 25 21.191 8.194 13.827 1.00 0.00 H ATOM 1570 N ASP B 26 20.837 11.146 15.570 1.00 2.77 N ATOM 1571 CA ASP B 26 20.708 12.538 15.991 1.00 2.66 C ATOM 1572 C ASP B 26 19.377 13.139 15.597 1.00 2.60 C ATOM 1573 O ASP B 26 18.803 13.932 16.346 1.00 2.90 O ATOM 1574 CB ASP B 26 21.885 13.337 15.472 1.00 3.12 C ATOM 1575 CG ASP B 26 23.197 12.977 16.128 1.00 3.95 C ATOM 1576 OD1 ASP B 26 23.182 12.347 17.197 1.00 5.10 O ATOM 1577 OD2 ASP B 26 24.245 13.377 15.570 1.00 5.45 O ATOM 1578 HA ASP B 26 20.725 12.573 17.080 1.00 0.00 H ATOM 1579 HB2 ASP B 26 21.976 13.161 14.400 1.00 0.00 H ATOM 1580 HB3 ASP B 26 21.689 14.394 15.650 1.00 0.00 H ATOM 1581 H ASP B 26 21.531 10.878 14.843 1.00 0.00 H ATOM 1582 N VAL B 27 18.823 12.773 14.457 1.00 2.84 N ATOM 1583 CA VAL B 27 17.470 13.201 14.105 1.00 3.00 C ATOM 1584 C VAL B 27 16.447 12.680 15.109 1.00 3.19 C ATOM 1585 O VAL B 27 15.556 13.427 15.537 1.00 2.81 O ATOM 1586 CB VAL B 27 17.115 12.729 12.681 1.00 3.39 C ATOM 1587 CG1 VAL B 27 15.637 12.938 12.358 1.00 4.12 C ATOM 1588 CG2 VAL B 27 17.961 13.495 11.666 1.00 4.10 C ATOM 1589 HA VAL B 27 17.442 14.290 14.134 1.00 0.00 H ATOM 1590 HB VAL B 27 17.323 11.660 12.627 1.00 0.00 H ATOM 1591 HG11 VAL B 27 15.029 12.374 13.065 1.00 0.00 H ATOM 1592 HG12 VAL B 27 15.396 13.998 12.435 1.00 0.00 H ATOM 1593 HG13 VAL B 27 15.435 12.591 11.345 1.00 0.00 H ATOM 1594 HG21 VAL B 27 17.758 14.562 11.757 1.00 0.00 H ATOM 1595 HG22 VAL B 27 19.017 13.307 11.859 1.00 0.00 H ATOM 1596 HG23 VAL B 27 17.710 13.161 10.659 1.00 0.00 H ATOM 1597 H VAL B 27 19.357 12.171 13.798 1.00 0.00 H ATOM 1598 N ILE B 28 16.535 11.408 15.498 1.00 3.09 N ATOM 1599 CA ILE B 28 15.589 10.854 16.471 1.00 3.12 C ATOM 1600 C ILE B 28 15.732 11.522 17.821 1.00 2.84 C ATOM 1601 O ILE B 28 14.749 11.888 18.471 1.00 3.18 O ATOM 1602 CB ILE B 28 15.834 9.325 16.540 1.00 3.61 C ATOM 1603 CG1 ILE B 28 15.448 8.662 15.210 1.00 2.81 C ATOM 1604 CG2 ILE B 28 15.067 8.695 17.692 1.00 3.54 C ATOM 1605 CD1 ILE B 28 13.991 8.713 14.840 1.00 3.86 C ATOM 1606 HA ILE B 28 14.562 11.045 16.159 1.00 0.00 H ATOM 1607 HB ILE B 28 16.897 9.162 16.718 1.00 0.00 H ATOM 1608 HG12 ILE B 28 16.010 9.155 14.417 1.00 0.00 H ATOM 1609 HG13 ILE B 28 15.741 7.614 15.263 1.00 0.00 H ATOM 1610 HD11 ILE B 28 13.404 8.210 15.609 1.00 0.00 H ATOM 1611 HD12 ILE B 28 13.674 9.753 14.761 1.00 0.00 H ATOM 1612 HD13 ILE B 28 13.843 8.213 13.883 1.00 0.00 H ATOM 1613 HG21 ILE B 28 15.393 9.142 18.631 1.00 0.00 H ATOM 1614 HG22 ILE B 28 14.000 8.870 17.555 1.00 0.00 H ATOM 1615 HG23 ILE B 28 15.261 7.623 17.712 1.00 0.00 H ATOM 1616 H ILE B 28 17.284 10.802 15.107 1.00 0.00 H ATOM 1617 N ILE B 29 16.983 11.762 18.268 1.00 2.79 N ATOM 1618 CA ILE B 29 17.210 12.485 19.509 1.00 3.32 C ATOM 1619 C ILE B 29 16.554 13.865 19.449 1.00 3.31 C ATOM 1620 O ILE B 29 15.862 14.274 20.407 1.00 3.97 O ATOM 1621 CB ILE B 29 18.728 12.614 19.782 1.00 3.11 C ATOM 1622 CG1 ILE B 29 19.309 11.254 20.129 1.00 3.08 C ATOM 1623 CG2 ILE B 29 18.961 13.680 20.869 1.00 3.84 C ATOM 1624 CD1 ILE B 29 20.823 11.242 20.289 1.00 3.75 C ATOM 1625 HA ILE B 29 16.757 11.926 20.328 1.00 0.00 H ATOM 1626 HB ILE B 29 19.255 12.952 18.889 1.00 0.00 H ATOM 1627 HG12 ILE B 29 18.864 10.921 21.067 1.00 0.00 H ATOM 1628 HG13 ILE B 29 19.044 10.556 19.335 1.00 0.00 H ATOM 1629 HD11 ILE B 29 21.288 11.560 19.356 1.00 0.00 H ATOM 1630 HD12 ILE B 29 21.108 11.925 21.089 1.00 0.00 H ATOM 1631 HD13 ILE B 29 21.153 10.233 20.536 1.00 0.00 H ATOM 1632 HG21 ILE B 29 18.568 14.638 20.527 1.00 0.00 H ATOM 1633 HG22 ILE B 29 18.449 13.382 21.784 1.00 0.00 H ATOM 1634 HG23 ILE B 29 20.030 13.772 21.063 1.00 0.00 H ATOM 1635 H ILE B 29 17.797 11.424 17.716 1.00 0.00 H ATOM 1636 N ARG B 30 16.747 14.608 18.357 1.00 3.80 N ATOM 1637 CA ARG B 30 16.150 15.925 18.248 1.00 5.60 C ATOM 1638 C ARG B 30 14.631 15.936 18.272 1.00 6.28 C ATOM 1639 O ARG B 30 14.045 16.784 18.959 1.00 8.88 O ATOM 1640 CB ARG B 30 16.552 16.546 16.905 1.00 6.68 C ATOM 1641 CG ARG B 30 17.977 16.987 16.836 1.00 8.60 C ATOM 1642 CD ARG B 30 18.311 17.379 15.406 1.00 11.11 C ATOM 1643 NE ARG B 30 19.680 17.818 15.294 1.00 12.41 N ATOM 1644 CZ ARG B 30 20.080 19.066 15.602 1.00 12.10 C ATOM 1645 NH1 ARG B 30 19.298 20.021 16.061 1.00 12.10 N ATOM 1646 NH2 ARG B 30 21.360 19.251 15.411 1.00 13.91 N ATOM 1647 HA ARG B 30 16.511 16.474 19.117 1.00 0.00 H ATOM 1648 HB2 ARG B 30 16.385 15.806 16.122 1.00 0.00 H ATOM 1649 HB3 ARG B 30 15.917 17.413 16.725 1.00 0.00 H ATOM 1650 HG2 ARG B 30 18.126 17.844 17.493 1.00 0.00 H ATOM 1651 HG3 ARG B 30 18.627 16.171 17.152 1.00 0.00 H ATOM 1652 HD2 ARG B 30 17.651 18.189 15.095 1.00 0.00 H ATOM 1653 HD3 ARG B 30 18.159 16.518 14.756 1.00 0.00 H ATOM 1654 HE ARG B 30 20.392 17.138 14.959 1.00 0.00 H ATOM 1655 HH12 ARG B 30 19.693 20.959 16.273 1.00 0.00 H ATOM 1656 HH11 ARG B 30 18.286 19.837 16.211 1.00 0.00 H ATOM 1657 HH22 ARG B 30 21.788 20.177 15.614 1.00 0.00 H ATOM 1658 HH21 ARG B 30 21.951 18.472 15.056 1.00 0.00 H ATOM 1659 H ARG B 30 17.330 14.240 17.579 1.00 0.00 H ATOM 1660 N HIS B 31 13.993 15.050 17.525 1.00 4.87 N ATOM 1661 CA HIS B 31 12.541 15.099 17.419 1.00 4.75 C ATOM 1662 C HIS B 31 11.748 14.332 18.445 1.00 5.70 C ATOM 1663 O HIS B 31 10.632 14.723 18.780 1.00 7.23 O ATOM 1664 CB HIS B 31 12.139 14.597 16.011 1.00 5.13 C ATOM 1665 CG HIS B 31 12.570 15.573 14.966 1.00 4.51 C ATOM 1666 ND1 HIS B 31 11.810 16.681 14.629 1.00 6.08 N ATOM 1667 CD2 HIS B 31 13.696 15.654 14.219 1.00 4.08 C ATOM 1668 CE1 HIS B 31 12.517 17.366 13.737 1.00 5.98 C ATOM 1669 NE2 HIS B 31 13.652 16.764 13.433 1.00 4.81 N ATOM 1670 HA HIS B 31 12.287 16.142 17.607 1.00 0.00 H ATOM 1671 HB2 HIS B 31 12.616 13.635 15.823 1.00 0.00 H ATOM 1672 HB3 HIS B 31 11.056 14.479 15.967 1.00 0.00 H ATOM 1673 HD2 HIS B 31 14.516 14.937 14.243 1.00 0.00 H ATOM 1674 HE1 HIS B 31 12.197 18.315 13.306 1.00 0.00 H ATOM 1675 H HIS B 31 14.528 14.319 17.014 1.00 0.00 H ATOM 1676 N LEU B 32 12.320 13.271 19.014 1.00 4.45 N ATOM 1677 CA LEU B 32 11.623 12.406 19.955 1.00 5.43 C ATOM 1678 C LEU B 32 12.170 12.567 21.352 1.00 5.52 C ATOM 1679 O LEU B 32 11.690 11.928 22.279 1.00 7.34 O ATOM 1680 CB LEU B 32 11.635 10.945 19.484 1.00 5.69 C ATOM 1681 CG LEU B 32 10.958 10.688 18.121 1.00 6.15 C ATOM 1682 CD1 LEU B 32 10.960 9.196 17.825 1.00 7.32 C ATOM 1683 CD2 LEU B 32 9.546 11.243 18.049 1.00 7.21 C ATOM 1684 HA LEU B 32 10.578 12.715 19.989 1.00 0.00 H ATOM 1685 HB2 LEU B 32 12.674 10.623 19.411 1.00 0.00 H ATOM 1686 HB3 LEU B 32 11.121 10.344 20.235 1.00 0.00 H ATOM 1687 HG LEU B 32 11.536 11.218 17.364 1.00 0.00 H ATOM 1688 HD21 LEU B 32 8.933 10.774 18.819 1.00 0.00 H ATOM 1689 HD22 LEU B 32 9.572 12.321 18.210 1.00 0.00 H ATOM 1690 HD23 LEU B 32 9.123 11.031 17.067 1.00 0.00 H ATOM 1691 HD11 LEU B 32 11.988 8.834 17.794 1.00 0.00 H ATOM 1692 HD12 LEU B 32 10.412 8.671 18.607 1.00 0.00 H ATOM 1693 HD13 LEU B 32 10.481 9.017 16.862 1.00 0.00 H ATOM 1694 H LEU B 32 13.308 13.051 18.775 1.00 0.00 H ATOM 1695 N ASN B 33 13.195 13.387 21.554 1.00 5.94 N ATOM 1696 CA ASN B 33 13.789 13.662 22.867 1.00 8.02 C ATOM 1697 C ASN B 33 14.349 12.404 23.500 1.00 6.69 C ATOM 1698 O ASN B 33 14.388 12.206 24.720 1.00 8.66 O ATOM 1699 CB ASN B 33 12.714 14.377 23.726 1.00 11.68 C ATOM 1700 CG ASN B 33 12.276 15.626 22.956 1.00 17.69 C ATOM 1701 OD1 ASN B 33 13.064 16.509 22.595 1.00 20.93 O ATOM 1702 ND2 ASN B 33 11.001 15.717 22.564 1.00 20.68 N ATOM 1703 HA ASN B 33 14.652 14.321 22.776 1.00 0.00 H ATOM 1704 HB2 ASN B 33 11.861 13.717 23.883 1.00 0.00 H ATOM 1705 HB3 ASN B 33 13.135 14.661 24.691 1.00 0.00 H ATOM 1706 HD22 ASN B 33 10.315 14.990 22.852 1.00 0.00 H ATOM 1707 HD21 ASN B 33 10.695 16.515 21.971 1.00 0.00 H ATOM 1708 H ASN B 33 13.604 13.866 20.726 1.00 0.00 H ATOM 1709 N SER B 34 14.870 11.509 22.669 1.00 4.75 N ATOM 1710 CA SER B 34 15.365 10.225 23.089 1.00 4.38 C ATOM 1711 C SER B 34 16.798 10.258 23.591 1.00 4.21 C ATOM 1712 O SER B 34 17.602 11.127 23.228 1.00 4.15 O ATOM 1713 CB SER B 34 15.397 9.223 21.915 1.00 3.81 C ATOM 1714 OG SER B 34 14.168 9.161 21.227 1.00 3.08 O ATOM 1715 HA SER B 34 14.681 9.933 23.885 1.00 0.00 H ATOM 1716 HB2 SER B 34 15.630 8.233 22.306 1.00 0.00 H ATOM 1717 HB3 SER B 34 16.175 9.528 21.215 1.00 0.00 H ATOM 1718 HG SER B 34 13.455 8.877 21.852 1.00 0.00 H ATOM 1719 H SER B 34 14.923 11.749 21.659 1.00 0.00 H ATOM 1720 N LYS B 35 17.102 9.236 24.378 1.00 4.85 N ATOM 1721 CA LYS B 35 18.478 8.991 24.794 1.00 5.25 C ATOM 1722 C LYS B 35 19.109 8.056 23.770 1.00 4.23 C ATOM 1723 O LYS B 35 18.479 7.167 23.178 1.00 4.47 O ATOM 1724 CB LYS B 35 18.525 8.351 26.191 1.00 6.81 C ATOM 1725 CG LYS B 35 17.892 9.190 27.293 1.00 9.35 C ATOM 1726 CD LYS B 35 18.499 10.589 27.436 1.00 12.69 C ATOM 1727 CE LYS B 35 17.932 11.247 28.717 1.00 15.05 C ATOM 1728 NZ LYS B 35 18.008 12.723 28.604 1.00 18.52 N ATOM 1729 HA LYS B 35 19.023 9.933 24.847 1.00 0.00 H ATOM 1730 HB2 LYS B 35 18.001 7.396 26.146 1.00 0.00 H ATOM 1731 HB3 LYS B 35 19.569 8.179 26.452 1.00 0.00 H ATOM 1732 HG2 LYS B 35 16.829 9.297 27.075 1.00 0.00 H ATOM 1733 HG3 LYS B 35 18.016 8.664 28.239 1.00 0.00 H ATOM 1734 HD2 LYS B 35 19.584 10.513 27.512 1.00 0.00 H ATOM 1735 HD3 LYS B 35 18.238 11.193 26.567 1.00 0.00 H ATOM 1736 HE2 LYS B 35 18.514 10.920 29.579 1.00 0.00 H ATOM 1737 HE3 LYS B 35 16.892 10.948 28.847 1.00 0.00 H ATOM 1738 HZ1 LYS B 35 19.000 13.009 28.482 1.00 0.00 H ATOM 1739 HZ2 LYS B 35 17.452 13.036 27.783 1.00 0.00 H ATOM 1740 HZ3 LYS B 35 17.625 13.156 29.469 1.00 0.00 H ATOM 1741 H LYS B 35 16.347 8.599 24.704 1.00 0.00 H ATOM 1742 N ASP B 36 20.420 8.171 23.556 1.00 3.19 N ATOM 1743 CA ASP B 36 21.182 7.315 22.645 1.00 3.31 C ATOM 1744 C ASP B 36 20.950 5.839 22.895 1.00 3.91 C ATOM 1745 O ASP B 36 20.718 5.048 21.962 1.00 3.75 O ATOM 1746 CB ASP B 36 22.685 7.640 22.747 1.00 3.71 C ATOM 1747 CG ASP B 36 23.490 6.730 21.836 1.00 4.81 C ATOM 1748 OD1 ASP B 36 23.388 6.923 20.612 1.00 5.66 O ATOM 1749 OD2 ASP B 36 24.172 5.817 22.367 1.00 8.47 O ATOM 1750 HA ASP B 36 20.826 7.526 21.637 1.00 0.00 H ATOM 1751 HB2 ASP B 36 22.849 8.677 22.454 1.00 0.00 H ATOM 1752 HB3 ASP B 36 23.014 7.499 23.777 1.00 0.00 H ATOM 1753 H ASP B 36 20.934 8.916 24.069 1.00 0.00 H ATOM 1754 N SER B 37 20.969 5.418 24.159 1.00 3.89 N ATOM 1755 CA SER B 37 20.830 4.017 24.526 1.00 4.51 C ATOM 1756 C SER B 37 19.524 3.387 24.113 1.00 4.21 C ATOM 1757 O SER B 37 19.497 2.155 23.945 1.00 4.32 O ATOM 1758 CB SER B 37 21.023 3.882 26.047 1.00 5.63 C ATOM 1759 OG SER B 37 22.398 4.060 26.347 1.00 7.55 O ATOM 1760 HA SER B 37 21.598 3.473 23.976 1.00 0.00 H ATOM 1761 HB2 SER B 37 20.701 2.893 26.372 1.00 0.00 H ATOM 1762 HB3 SER B 37 20.434 4.641 26.561 1.00 0.00 H ATOM 1763 HG SER B 37 22.686 4.959 26.049 1.00 0.00 H ATOM 1764 H SER B 37 21.088 6.121 24.916 1.00 0.00 H ATOM 1765 N SER B 38 18.451 4.148 23.963 1.00 3.18 N ATOM 1766 CA SER B 38 17.160 3.605 23.598 1.00 3.35 C ATOM 1767 C SER B 38 16.992 3.428 22.095 1.00 3.16 C ATOM 1768 O SER B 38 15.938 2.939 21.694 1.00 3.78 O ATOM 1769 CB SER B 38 16.050 4.561 24.059 1.00 3.28 C ATOM 1770 OG SER B 38 16.056 5.749 23.265 1.00 3.03 O ATOM 1771 HA SER B 38 17.095 2.629 24.079 1.00 0.00 H ATOM 1772 HB2 SER B 38 16.214 4.826 25.104 1.00 0.00 H ATOM 1773 HB3 SER B 38 15.084 4.066 23.958 1.00 0.00 H ATOM 1774 HG SER B 38 16.932 6.202 23.357 1.00 0.00 H ATOM 1775 H SER B 38 18.539 5.173 24.113 1.00 0.00 H ATOM 1776 N ILE B 39 17.969 3.847 21.300 1.00 3.00 N ATOM 1777 CA ILE B 39 17.839 3.786 19.857 1.00 3.63 C ATOM 1778 C ILE B 39 18.522 2.590 19.234 1.00 3.34 C ATOM 1779 O ILE B 39 19.700 2.289 19.460 1.00 3.85 O ATOM 1780 CB ILE B 39 18.420 5.067 19.238 1.00 3.53 C ATOM 1781 CG1 ILE B 39 17.683 6.304 19.772 1.00 3.74 C ATOM 1782 CG2 ILE B 39 18.375 5.024 17.711 1.00 4.06 C ATOM 1783 CD1 ILE B 39 18.418 7.634 19.503 1.00 4.64 C ATOM 1784 HA ILE B 39 16.774 3.688 19.648 1.00 0.00 H ATOM 1785 HB ILE B 39 19.468 5.133 19.532 1.00 0.00 H ATOM 1786 HG12 ILE B 39 16.703 6.351 19.298 1.00 0.00 H ATOM 1787 HG13 ILE B 39 17.559 6.192 20.849 1.00 0.00 H ATOM 1788 HD11 ILE B 39 19.397 7.610 19.981 1.00 0.00 H ATOM 1789 HD12 ILE B 39 18.540 7.769 18.428 1.00 0.00 H ATOM 1790 HD13 ILE B 39 17.834 8.459 19.910 1.00 0.00 H ATOM 1791 HG21 ILE B 39 18.958 4.174 17.355 1.00 0.00 H ATOM 1792 HG22 ILE B 39 17.341 4.920 17.382 1.00 0.00 H ATOM 1793 HG23 ILE B 39 18.794 5.947 17.310 1.00 0.00 H ATOM 1794 H ILE B 39 18.842 4.225 21.719 1.00 0.00 H ATOM 1795 N SER B 40 17.734 1.864 18.421 1.00 3.00 N ATOM 1796 CA SER B 40 18.229 0.757 17.604 1.00 2.86 C ATOM 1797 C SER B 40 17.813 1.038 16.170 1.00 2.67 C ATOM 1798 O SER B 40 16.754 1.618 15.902 1.00 2.63 O ATOM 1799 CB SER B 40 17.755 -0.597 18.126 1.00 3.76 C ATOM 1800 OG SER B 40 16.331 -0.625 18.248 1.00 3.40 O ATOM 1801 HA SER B 40 19.316 0.692 17.655 1.00 0.00 H ATOM 1802 HB2 SER B 40 18.201 -0.779 19.104 1.00 0.00 H ATOM 1803 HB3 SER B 40 18.070 -1.377 17.433 1.00 0.00 H ATOM 1804 HG SER B 40 15.922 -0.464 17.361 1.00 0.00 H ATOM 1805 H SER B 40 16.723 2.102 18.371 1.00 0.00 H ATOM 1806 N ILE B 41 18.659 0.606 15.219 1.00 2.73 N ATOM 1807 CA ILE B 41 18.402 0.868 13.805 1.00 2.92 C ATOM 1808 C ILE B 41 18.750 -0.355 12.972 1.00 3.01 C ATOM 1809 O ILE B 41 19.869 -0.880 13.027 1.00 2.78 O ATOM 1810 CB ILE B 41 19.224 2.068 13.267 1.00 3.08 C ATOM 1811 CG1 ILE B 41 19.001 3.337 14.116 1.00 3.36 C ATOM 1812 CG2 ILE B 41 18.852 2.353 11.793 1.00 3.49 C ATOM 1813 CD1 ILE B 41 19.988 4.439 13.801 1.00 3.07 C ATOM 1814 HA ILE B 41 17.342 1.106 13.722 1.00 0.00 H ATOM 1815 HB ILE B 41 20.278 1.800 13.331 1.00 0.00 H ATOM 1816 HG12 ILE B 41 17.994 3.708 13.928 1.00 0.00 H ATOM 1817 HG13 ILE B 41 19.099 3.073 15.169 1.00 0.00 H ATOM 1818 HD11 ILE B 41 21.000 4.084 13.994 1.00 0.00 H ATOM 1819 HD12 ILE B 41 19.894 4.720 12.752 1.00 0.00 H ATOM 1820 HD13 ILE B 41 19.778 5.304 14.431 1.00 0.00 H ATOM 1821 HG21 ILE B 41 19.068 1.472 11.188 1.00 0.00 H ATOM 1822 HG22 ILE B 41 17.790 2.589 11.727 1.00 0.00 H ATOM 1823 HG23 ILE B 41 19.437 3.198 11.429 1.00 0.00 H ATOM 1824 H ILE B 41 19.511 0.076 15.494 1.00 0.00 H ATOM 1825 N ALA B 42 17.821 -0.789 12.143 1.00 2.97 N ATOM 1826 CA ALA B 42 17.975 -1.896 11.211 1.00 3.85 C ATOM 1827 C ALA B 42 17.979 -1.360 9.778 1.00 3.72 C ATOM 1828 O ALA B 42 17.292 -0.387 9.494 1.00 4.58 O ATOM 1829 CB ALA B 42 16.844 -2.911 11.289 1.00 3.70 C ATOM 1830 HA ALA B 42 18.910 -2.386 11.482 1.00 0.00 H ATOM 1831 HB1 ALA B 42 16.803 -3.331 12.294 1.00 0.00 H ATOM 1832 HB2 ALA B 42 15.899 -2.418 11.061 1.00 0.00 H ATOM 1833 HB3 ALA B 42 17.023 -3.708 10.568 1.00 0.00 H ATOM 1834 H ALA B 42 16.903 -0.300 12.156 1.00 0.00 H ATOM 1835 N LEU B 43 18.797 -1.985 8.932 1.00 4.55 N ATOM 1836 CA LEU B 43 18.836 -1.658 7.496 1.00 5.17 C ATOM 1837 C LEU B 43 18.625 -2.974 6.749 1.00 5.31 C ATOM 1838 O LEU B 43 19.478 -3.875 6.830 1.00 7.24 O ATOM 1839 CB LEU B 43 20.140 -0.997 7.130 1.00 7.07 C ATOM 1840 CG LEU B 43 20.435 -0.642 5.679 1.00 9.10 C ATOM 1841 CD1 LEU B 43 19.478 0.417 5.186 1.00 10.19 C ATOM 1842 CD2 LEU B 43 21.875 -0.147 5.555 1.00 11.05 C ATOM 1843 HA LEU B 43 18.059 -0.943 7.227 1.00 0.00 H ATOM 1844 HB2 LEU B 43 20.192 -0.068 7.698 1.00 0.00 H ATOM 1845 HB3 LEU B 43 20.935 -1.667 7.458 1.00 0.00 H ATOM 1846 HG LEU B 43 20.305 -1.533 5.065 1.00 0.00 H ATOM 1847 HD21 LEU B 43 22.009 0.736 6.179 1.00 0.00 H ATOM 1848 HD22 LEU B 43 22.557 -0.932 5.882 1.00 0.00 H ATOM 1849 HD23 LEU B 43 22.083 0.106 4.515 1.00 0.00 H ATOM 1850 HD11 LEU B 43 18.456 0.044 5.258 1.00 0.00 H ATOM 1851 HD12 LEU B 43 19.583 1.313 5.798 1.00 0.00 H ATOM 1852 HD13 LEU B 43 19.706 0.656 4.147 1.00 0.00 H ATOM 1853 H LEU B 43 19.428 -2.727 9.297 1.00 0.00 H ATOM 1854 N GLN B 44 17.494 -3.112 6.077 1.00 5.13 N ATOM 1855 CA GLN B 44 17.148 -4.339 5.387 1.00 6.03 C ATOM 1856 C GLN B 44 17.089 -4.093 3.876 1.00 6.73 C ATOM 1857 O GLN B 44 16.308 -3.266 3.428 1.00 7.02 O ATOM 1858 CB GLN B 44 15.803 -4.870 5.886 1.00 6.72 C ATOM 1859 CG GLN B 44 15.775 -5.180 7.378 1.00 8.83 C ATOM 1860 CD GLN B 44 14.552 -5.937 7.810 1.00 9.42 C ATOM 1861 OE1 GLN B 44 13.683 -5.460 8.545 1.00 11.21 O ATOM 1862 NE2 GLN B 44 14.489 -7.203 7.403 1.00 6.45 N ATOM 1863 HA GLN B 44 17.915 -5.085 5.595 1.00 0.00 H ATOM 1864 HB2 GLN B 44 15.039 -4.121 5.677 1.00 0.00 H ATOM 1865 HB3 GLN B 44 15.572 -5.785 5.341 1.00 0.00 H ATOM 1866 HG2 GLN B 44 16.654 -5.776 7.623 1.00 0.00 H ATOM 1867 HG3 GLN B 44 15.810 -4.239 7.927 1.00 0.00 H ATOM 1868 HE22 GLN B 44 15.231 -7.588 6.784 1.00 0.00 H ATOM 1869 HE21 GLN B 44 13.698 -7.807 7.704 1.00 0.00 H ATOM 1870 H GLN B 44 16.830 -2.312 6.042 1.00 0.00 H ATOM 1871 N GLN B 45 17.920 -4.829 3.147 1.00 7.32 N ATOM 1872 CA GLN B 45 17.948 -4.742 1.689 1.00 7.99 C ATOM 1873 C GLN B 45 16.883 -5.665 1.119 1.00 7.89 C ATOM 1874 O GLN B 45 16.721 -6.841 1.482 1.00 8.40 O ATOM 1875 CB GLN B 45 19.364 -5.056 1.186 1.00 10.15 C ATOM 1876 CG GLN B 45 20.338 -3.968 1.612 1.00 11.65 C ATOM 1877 CD GLN B 45 21.677 -3.939 0.912 1.00 12.86 C ATOM 1878 OE1 GLN B 45 22.616 -3.359 1.477 1.00 14.89 O ATOM 1879 NE2 GLN B 45 21.773 -4.539 -0.258 1.00 12.09 N ATOM 1880 HA GLN B 45 17.714 -3.734 1.347 1.00 0.00 H ATOM 1881 HB2 GLN B 45 19.688 -6.010 1.601 1.00 0.00 H ATOM 1882 HB3 GLN B 45 19.352 -5.120 0.098 1.00 0.00 H ATOM 1883 HG2 GLN B 45 19.855 -3.006 1.439 1.00 0.00 H ATOM 1884 HG3 GLN B 45 20.526 -4.093 2.678 1.00 0.00 H ATOM 1885 HE22 GLN B 45 20.942 -5.006 -0.672 1.00 0.00 H ATOM 1886 HE21 GLN B 45 22.680 -4.545 -0.767 1.00 0.00 H ATOM 1887 H GLN B 45 18.568 -5.485 3.627 1.00 0.00 H ATOM 1888 N ILE B 46 16.057 -5.123 0.239 1.00 7.60 N ATOM 1889 CA ILE B 46 14.936 -5.831 -0.355 1.00 8.18 C ATOM 1890 C ILE B 46 15.152 -5.907 -1.857 1.00 8.90 C ATOM 1891 O ILE B 46 15.415 -4.860 -2.461 1.00 9.47 O ATOM 1892 CB ILE B 46 13.614 -5.068 -0.077 1.00 8.06 C ATOM 1893 CG1 ILE B 46 13.405 -4.798 1.411 1.00 9.06 C ATOM 1894 CG2 ILE B 46 12.433 -5.798 -0.700 1.00 8.41 C ATOM 1895 CD1 ILE B 46 13.244 -6.001 2.308 1.00 9.68 C ATOM 1896 HA ILE B 46 14.870 -6.830 0.076 1.00 0.00 H ATOM 1897 HB ILE B 46 13.689 -4.090 -0.552 1.00 0.00 H ATOM 1898 HG12 ILE B 46 14.267 -4.234 1.768 1.00 0.00 H ATOM 1899 HG13 ILE B 46 12.507 -4.189 1.512 1.00 0.00 H ATOM 1900 HD11 ILE B 46 12.376 -6.577 1.989 1.00 0.00 H ATOM 1901 HD12 ILE B 46 14.137 -6.622 2.244 1.00 0.00 H ATOM 1902 HD13 ILE B 46 13.103 -5.669 3.337 1.00 0.00 H ATOM 1903 HG21 ILE B 46 12.580 -5.870 -1.778 1.00 0.00 H ATOM 1904 HG22 ILE B 46 12.360 -6.799 -0.274 1.00 0.00 H ATOM 1905 HG23 ILE B 46 11.516 -5.246 -0.493 1.00 0.00 H ATOM 1906 H ILE B 46 16.219 -4.135 -0.043 1.00 0.00 H ATOM 1907 N GLN B 47 15.035 -7.057 -2.491 1.00 10.11 N ATOM 1908 CA GLN B 47 15.186 -7.097 -3.963 1.00 10.82 C ATOM 1909 C GLN B 47 14.022 -6.369 -4.598 1.00 11.50 C ATOM 1910 O GLN B 47 12.896 -6.391 -4.097 1.00 9.93 O ATOM 1911 CB GLN B 47 15.181 -8.572 -4.398 1.00 11.94 C ATOM 1912 CG GLN B 47 16.287 -9.428 -3.799 1.00 13.56 C ATOM 1913 CD GLN B 47 17.660 -8.928 -4.171 1.00 15.73 C ATOM 1914 OE1 GLN B 47 17.917 -8.614 -5.337 1.00 17.84 O ATOM 1915 NE2 GLN B 47 18.574 -8.817 -3.217 1.00 16.90 N ATOM 1916 HA GLN B 47 16.115 -6.618 -4.273 1.00 0.00 H ATOM 1917 HB2 GLN B 47 14.224 -9.006 -4.108 1.00 0.00 H ATOM 1918 HB3 GLN B 47 15.280 -8.604 -5.483 1.00 0.00 H ATOM 1919 HG2 GLN B 47 16.191 -9.416 -2.713 1.00 0.00 H ATOM 1920 HG3 GLN B 47 16.175 -10.450 -4.161 1.00 0.00 H ATOM 1921 HE22 GLN B 47 18.341 -9.086 -2.240 1.00 0.00 H ATOM 1922 HE21 GLN B 47 19.524 -8.461 -3.446 1.00 0.00 H ATOM 1923 H GLN B 47 14.838 -7.930 -1.961 1.00 0.00 H ATOM 1924 N PRO B 48 14.217 -5.754 -5.761 1.00 13.14 N ATOM 1925 CA PRO B 48 13.182 -5.010 -6.437 1.00 13.62 C ATOM 1926 C PRO B 48 11.936 -5.808 -6.696 1.00 14.09 C ATOM 1927 O PRO B 48 10.829 -5.305 -6.483 1.00 12.90 O ATOM 1928 CB PRO B 48 13.837 -4.485 -7.702 1.00 14.99 C ATOM 1929 CG PRO B 48 15.287 -4.461 -7.378 1.00 15.56 C ATOM 1930 CD PRO B 48 15.531 -5.612 -6.436 1.00 14.45 C ATOM 1931 HA PRO B 48 12.811 -4.196 -5.814 1.00 0.00 H ATOM 1932 HD3 PRO B 48 15.795 -6.519 -6.980 1.00 0.00 H ATOM 1933 HD2 PRO B 48 16.319 -5.377 -5.721 1.00 0.00 H ATOM 1934 HG3 PRO B 48 15.551 -3.518 -6.899 1.00 0.00 H ATOM 1935 HG2 PRO B 48 15.879 -4.584 -8.285 1.00 0.00 H ATOM 1936 HB2 PRO B 48 13.640 -5.148 -8.544 1.00 0.00 H ATOM 1937 HB3 PRO B 48 13.476 -3.484 -7.938 1.00 0.00 H ATOM 1938 N GLU B 49 12.050 -7.093 -7.052 1.00 15.60 N ATOM 1939 CA GLU B 49 10.901 -7.949 -7.285 1.00 17.38 C ATOM 1940 C GLU B 49 10.064 -8.232 -6.046 1.00 15.85 C ATOM 1941 O GLU B 49 8.949 -8.748 -6.127 1.00 17.18 O ATOM 1942 CB GLU B 49 11.305 -9.312 -7.871 1.00 20.00 C ATOM 1943 CG GLU B 49 12.576 -9.345 -8.677 1.00 23.54 C ATOM 1944 CD GLU B 49 13.836 -9.364 -7.825 1.00 24.28 C ATOM 1945 OE1 GLU B 49 14.086 -10.384 -7.137 1.00 26.04 O ATOM 1946 OE2 GLU B 49 14.554 -8.357 -7.892 1.00 23.74 O ATOM 1947 HA GLU B 49 10.301 -7.375 -7.991 1.00 0.00 H ATOM 1948 HB2 GLU B 49 11.420 -10.009 -7.041 1.00 0.00 H ATOM 1949 HB3 GLU B 49 10.494 -9.649 -8.517 1.00 0.00 H ATOM 1950 HG2 GLU B 49 12.567 -10.240 -9.299 1.00 0.00 H ATOM 1951 HG3 GLU B 49 12.604 -8.461 -9.314 1.00 0.00 H ATOM 1952 H GLU B 49 13.002 -7.495 -7.167 1.00 0.00 H ATOM 1953 N SER B 50 10.610 -7.939 -4.857 1.00 13.45 N ATOM 1954 CA SER B 50 9.937 -8.166 -3.600 1.00 12.52 C ATOM 1955 C SER B 50 9.429 -6.847 -3.007 1.00 10.97 C ATOM 1956 O SER B 50 8.859 -6.881 -1.909 1.00 11.97 O ATOM 1957 CB SER B 50 10.904 -8.832 -2.612 1.00 14.19 C ATOM 1958 OG SER B 50 11.284 -10.096 -3.150 1.00 17.80 O ATOM 1959 HA SER B 50 9.082 -8.818 -3.779 1.00 0.00 H ATOM 1960 HB2 SER B 50 10.411 -8.972 -1.650 1.00 0.00 H ATOM 1961 HB3 SER B 50 11.786 -8.206 -2.479 1.00 0.00 H ATOM 1962 HG SER B 50 11.909 -10.544 -2.527 1.00 0.00 H ATOM 1963 H SER B 50 11.565 -7.528 -4.839 1.00 0.00 H ATOM 1964 N TRP B 51 9.536 -5.744 -3.744 1.00 8.32 N ATOM 1965 CA TRP B 51 9.056 -4.467 -3.201 1.00 7.12 C ATOM 1966 C TRP B 51 7.556 -4.374 -3.167 1.00 7.51 C ATOM 1967 O TRP B 51 6.992 -3.779 -2.241 1.00 8.81 O ATOM 1968 CB TRP B 51 9.644 -3.280 -3.986 1.00 6.96 C ATOM 1969 CG TRP B 51 9.479 -1.991 -3.238 1.00 5.88 C ATOM 1970 CD1 TRP B 51 8.627 -0.958 -3.487 1.00 6.59 C ATOM 1971 CD2 TRP B 51 10.226 -1.614 -2.062 1.00 5.63 C ATOM 1972 NE1 TRP B 51 8.761 0.018 -2.535 1.00 5.84 N ATOM 1973 CE2 TRP B 51 9.746 -0.352 -1.657 1.00 5.08 C ATOM 1974 CE3 TRP B 51 11.229 -2.236 -1.320 1.00 6.24 C ATOM 1975 CZ2 TRP B 51 10.237 0.318 -0.545 1.00 5.84 C ATOM 1976 CZ3 TRP B 51 11.724 -1.565 -0.213 1.00 6.56 C ATOM 1977 CH2 TRP B 51 11.228 -0.309 0.162 1.00 6.60 C ATOM 1978 HA TRP B 51 9.404 -4.423 -2.169 1.00 0.00 H ATOM 1979 HB2 TRP B 51 10.706 -3.458 -4.155 1.00 0.00 H ATOM 1980 HB3 TRP B 51 9.133 -3.201 -4.945 1.00 0.00 H ATOM 1981 HE1 TRP B 51 8.206 0.896 -2.487 1.00 0.00 H ATOM 1982 HD1 TRP B 51 7.934 -0.914 -4.327 1.00 0.00 H ATOM 1983 HZ2 TRP B 51 9.853 1.294 -0.249 1.00 0.00 H ATOM 1984 HH2 TRP B 51 11.643 0.183 1.042 1.00 0.00 H ATOM 1985 HZ3 TRP B 51 12.516 -2.024 0.379 1.00 0.00 H ATOM 1986 HE3 TRP B 51 11.611 -3.217 -1.601 1.00 0.00 H ATOM 1987 H TRP B 51 9.955 -5.786 -4.695 1.00 0.00 H ATOM 1988 N GLN B 52 6.826 -4.994 -4.103 1.00 8.46 N ATOM 1989 CA GLN B 52 5.373 -4.994 -4.078 1.00 9.64 C ATOM 1990 C GLN B 52 4.860 -5.529 -2.750 1.00 9.45 C ATOM 1991 O GLN B 52 3.885 -4.975 -2.227 1.00 9.78 O ATOM 1992 CB GLN B 52 4.810 -5.850 -5.240 1.00 10.99 C ATOM 1993 CG GLN B 52 3.285 -5.848 -5.324 1.00 12.50 C ATOM 1994 CD GLN B 52 2.756 -4.565 -5.909 1.00 13.85 C ATOM 1995 OE1 GLN B 52 3.154 -4.137 -6.992 1.00 15.31 O ATOM 1996 NE2 GLN B 52 1.844 -3.899 -5.190 1.00 15.33 N ATOM 1997 HA GLN B 52 5.033 -3.965 -4.198 1.00 0.00 H ATOM 1998 HB2 GLN B 52 5.207 -5.461 -6.178 1.00 0.00 H ATOM 1999 HB3 GLN B 52 5.146 -6.878 -5.104 1.00 0.00 H ATOM 2000 HG2 GLN B 52 2.965 -6.680 -5.952 1.00 0.00 H ATOM 2001 HG3 GLN B 52 2.876 -5.973 -4.321 1.00 0.00 H ATOM 2002 HE22 GLN B 52 1.522 -4.280 -4.277 1.00 0.00 H ATOM 2003 HE21 GLN B 52 1.457 -3.001 -5.544 1.00 0.00 H ATOM 2004 H GLN B 52 7.315 -5.492 -4.874 1.00 0.00 H ATOM 2005 N ALA B 53 5.474 -6.538 -2.146 1.00 10.59 N ATOM 2006 CA ALA B 53 5.075 -7.087 -0.869 1.00 10.87 C ATOM 2007 C ALA B 53 5.247 -6.038 0.230 1.00 9.71 C ATOM 2008 O ALA B 53 4.417 -6.031 1.151 1.00 11.57 O ATOM 2009 CB ALA B 53 5.836 -8.360 -0.505 1.00 11.67 C ATOM 2010 HA ALA B 53 4.024 -7.362 -0.957 1.00 0.00 H ATOM 2011 HB1 ALA B 53 5.655 -9.120 -1.265 1.00 0.00 H ATOM 2012 HB2 ALA B 53 6.903 -8.142 -0.455 1.00 0.00 H ATOM 2013 HB3 ALA B 53 5.492 -8.723 0.463 1.00 0.00 H ATOM 2014 H ALA B 53 6.296 -6.962 -2.622 1.00 0.00 H ATOM 2015 N ILE B 54 6.282 -5.222 0.175 1.00 9.55 N ATOM 2016 CA ILE B 54 6.470 -4.152 1.153 1.00 8.52 C ATOM 2017 C ILE B 54 5.390 -3.090 0.973 1.00 7.68 C ATOM 2018 O ILE B 54 4.757 -2.621 1.917 1.00 7.98 O ATOM 2019 CB ILE B 54 7.854 -3.501 1.030 1.00 8.48 C ATOM 2020 CG1 ILE B 54 8.990 -4.506 1.252 1.00 9.94 C ATOM 2021 CG2 ILE B 54 8.012 -2.334 2.008 1.00 7.86 C ATOM 2022 CD1 ILE B 54 8.906 -5.294 2.540 1.00 10.19 C ATOM 2023 HA ILE B 54 6.395 -4.597 2.145 1.00 0.00 H ATOM 2024 HB ILE B 54 7.922 -3.126 0.009 1.00 0.00 H ATOM 2025 HG12 ILE B 54 8.983 -5.213 0.422 1.00 0.00 H ATOM 2026 HG13 ILE B 54 9.932 -3.957 1.252 1.00 0.00 H ATOM 2027 HD11 ILE B 54 8.927 -4.608 3.386 1.00 0.00 H ATOM 2028 HD12 ILE B 54 7.977 -5.864 2.556 1.00 0.00 H ATOM 2029 HD13 ILE B 54 9.754 -5.976 2.603 1.00 0.00 H ATOM 2030 HG21 ILE B 54 7.254 -1.579 1.797 1.00 0.00 H ATOM 2031 HG22 ILE B 54 7.890 -2.698 3.028 1.00 0.00 H ATOM 2032 HG23 ILE B 54 9.004 -1.897 1.893 1.00 0.00 H ATOM 2033 H ILE B 54 6.983 -5.343 -0.584 1.00 0.00 H ATOM 2034 N TRP B 55 5.119 -2.703 -0.272 1.00 7.08 N ATOM 2035 CA TRP B 55 4.058 -1.758 -0.590 1.00 6.64 C ATOM 2036 C TRP B 55 2.722 -2.243 -0.056 1.00 6.54 C ATOM 2037 O TRP B 55 1.980 -1.535 0.628 1.00 6.14 O ATOM 2038 CB TRP B 55 3.966 -1.562 -2.115 1.00 6.97 C ATOM 2039 CG TRP B 55 2.836 -0.666 -2.538 1.00 7.13 C ATOM 2040 CD1 TRP B 55 1.548 -1.064 -2.812 1.00 7.88 C ATOM 2041 CD2 TRP B 55 2.870 0.753 -2.731 1.00 6.88 C ATOM 2042 NE1 TRP B 55 0.788 0.021 -3.156 1.00 7.49 N ATOM 2043 CE2 TRP B 55 1.567 1.151 -3.106 1.00 7.37 C ATOM 2044 CE3 TRP B 55 3.900 1.704 -2.633 1.00 7.10 C ATOM 2045 CZ2 TRP B 55 1.262 2.481 -3.391 1.00 7.26 C ATOM 2046 CZ3 TRP B 55 3.569 3.025 -2.932 1.00 6.49 C ATOM 2047 CH2 TRP B 55 2.265 3.402 -3.278 1.00 7.25 C ATOM 2048 HA TRP B 55 4.297 -0.806 -0.115 1.00 0.00 H ATOM 2049 HB2 TRP B 55 4.902 -1.125 -2.464 1.00 0.00 H ATOM 2050 HB3 TRP B 55 3.826 -2.538 -2.581 1.00 0.00 H ATOM 2051 HE1 TRP B 55 -0.219 -0.006 -3.414 1.00 0.00 H ATOM 2052 HD1 TRP B 55 1.186 -2.091 -2.762 1.00 0.00 H ATOM 2053 HZ2 TRP B 55 0.257 2.776 -3.694 1.00 0.00 H ATOM 2054 HH2 TRP B 55 2.045 4.454 -3.461 1.00 0.00 H ATOM 2055 HZ3 TRP B 55 4.348 3.787 -2.895 1.00 0.00 H ATOM 2056 HE3 TRP B 55 4.910 1.422 -2.337 1.00 0.00 H ATOM 2057 H TRP B 55 5.689 -3.092 -1.050 1.00 0.00 H ATOM 2058 N ASP B 56 2.416 -3.518 -0.332 1.00 7.44 N ATOM 2059 CA ASP B 56 1.126 -4.064 0.091 1.00 9.60 C ATOM 2060 C ASP B 56 0.980 -4.185 1.600 1.00 9.16 C ATOM 2061 O ASP B 56 -0.129 -4.023 2.109 1.00 10.44 O ATOM 2062 CB ASP B 56 0.922 -5.449 -0.532 1.00 10.76 C ATOM 2063 CG ASP B 56 0.762 -5.448 -2.025 1.00 12.43 C ATOM 2064 OD1 ASP B 56 0.547 -4.395 -2.653 1.00 12.40 O ATOM 2065 OD2 ASP B 56 0.841 -6.557 -2.624 1.00 14.95 O ATOM 2066 HA ASP B 56 0.370 -3.357 -0.252 1.00 0.00 H ATOM 2067 HB2 ASP B 56 1.787 -6.064 -0.283 1.00 0.00 H ATOM 2068 HB3 ASP B 56 0.026 -5.890 -0.095 1.00 0.00 H ATOM 2069 H ASP B 56 3.093 -4.118 -0.845 1.00 0.00 H ATOM 2070 N ALA B 57 2.042 -4.509 2.322 1.00 9.39 N ATOM 2071 CA ALA B 57 1.934 -4.677 3.762 1.00 11.15 C ATOM 2072 C ALA B 57 2.146 -3.424 4.603 1.00 11.25 C ATOM 2073 O ALA B 57 1.513 -3.307 5.666 1.00 13.90 O ATOM 2074 CB ALA B 57 2.928 -5.737 4.238 1.00 12.04 C ATOM 2075 HA ALA B 57 0.896 -4.971 3.915 1.00 0.00 H ATOM 2076 HB1 ALA B 57 2.709 -6.685 3.747 1.00 0.00 H ATOM 2077 HB2 ALA B 57 3.941 -5.422 3.987 1.00 0.00 H ATOM 2078 HB3 ALA B 57 2.840 -5.857 5.318 1.00 0.00 H ATOM 2079 H ALA B 57 2.961 -4.644 1.855 1.00 0.00 H ATOM 2080 N GLU B 58 3.049 -2.555 4.194 1.00 9.44 N ATOM 2081 CA GLU B 58 3.483 -1.439 5.014 1.00 10.16 C ATOM 2082 C GLU B 58 3.100 -0.061 4.487 1.00 9.32 C ATOM 2083 O GLU B 58 3.130 0.887 5.276 1.00 10.59 O ATOM 2084 CB GLU B 58 5.021 -1.483 5.081 1.00 11.39 C ATOM 2085 CG GLU B 58 5.674 -2.720 5.639 1.00 13.83 C ATOM 2086 CD GLU B 58 5.342 -2.990 7.085 1.00 16.17 C ATOM 2087 OE1 GLU B 58 5.007 -2.042 7.826 1.00 15.95 O ATOM 2088 OE2 GLU B 58 5.396 -4.179 7.477 1.00 17.84 O ATOM 2089 HA GLU B 58 2.985 -1.557 5.977 1.00 0.00 H ATOM 2090 HB2 GLU B 58 5.393 -1.351 4.065 1.00 0.00 H ATOM 2091 HB3 GLU B 58 5.342 -0.642 5.696 1.00 0.00 H ATOM 2092 HG2 GLU B 58 5.350 -3.576 5.047 1.00 0.00 H ATOM 2093 HG3 GLU B 58 6.755 -2.607 5.550 1.00 0.00 H ATOM 2094 H GLU B 58 3.466 -2.674 3.249 1.00 0.00 H ATOM 2095 N ILE B 59 2.901 0.078 3.186 1.00 6.73 N ATOM 2096 CA ILE B 59 2.679 1.431 2.652 1.00 6.03 C ATOM 2097 C ILE B 59 1.230 1.686 2.326 1.00 6.28 C ATOM 2098 O ILE B 59 0.584 2.540 2.934 1.00 8.30 O ATOM 2099 CB ILE B 59 3.605 1.669 1.448 1.00 5.58 C ATOM 2100 CG1 ILE B 59 5.067 1.429 1.830 1.00 6.40 C ATOM 2101 CG2 ILE B 59 3.391 3.080 0.901 1.00 6.72 C ATOM 2102 CD1 ILE B 59 6.043 1.538 0.661 1.00 6.74 C ATOM 2103 HA ILE B 59 2.932 2.155 3.426 1.00 0.00 H ATOM 2104 HB ILE B 59 3.357 0.956 0.662 1.00 0.00 H ATOM 2105 HG12 ILE B 59 5.350 2.165 2.582 1.00 0.00 H ATOM 2106 HG13 ILE B 59 5.150 0.428 2.254 1.00 0.00 H ATOM 2107 HD11 ILE B 59 5.784 0.799 -0.097 1.00 0.00 H ATOM 2108 HD12 ILE B 59 5.983 2.538 0.231 1.00 0.00 H ATOM 2109 HD13 ILE B 59 7.057 1.354 1.017 1.00 0.00 H ATOM 2110 HG21 ILE B 59 2.354 3.193 0.586 1.00 0.00 H ATOM 2111 HG22 ILE B 59 3.617 3.808 1.680 1.00 0.00 H ATOM 2112 HG23 ILE B 59 4.050 3.242 0.048 1.00 0.00 H ATOM 2113 H ILE B 59 2.902 -0.749 2.556 1.00 0.00 H ATOM 2114 N ALA B 60 0.653 0.901 1.399 1.00 7.21 N ATOM 2115 CA ALA B 60 -0.731 1.079 0.998 1.00 9.31 C ATOM 2116 C ALA B 60 -1.763 1.067 2.107 1.00 10.38 C ATOM 2117 O ALA B 60 -2.579 1.999 2.126 1.00 11.04 O ATOM 2118 CB ALA B 60 -1.101 0.121 -0.124 1.00 10.08 C ATOM 2119 HA ALA B 60 -0.770 2.105 0.633 1.00 0.00 H ATOM 2120 HB1 ALA B 60 -0.460 0.308 -0.986 1.00 0.00 H ATOM 2121 HB2 ALA B 60 -0.964 -0.905 0.216 1.00 0.00 H ATOM 2122 HB3 ALA B 60 -2.143 0.277 -0.404 1.00 0.00 H ATOM 2123 H ALA B 60 1.214 0.145 0.957 1.00 0.00 H ATOM 2124 N PRO B 61 -1.765 0.135 3.038 1.00 10.98 N ATOM 2125 CA PRO B 61 -2.777 0.123 4.084 1.00 11.69 C ATOM 2126 C PRO B 61 -2.621 1.227 5.113 1.00 12.03 C ATOM 2127 O PRO B 61 -3.608 1.517 5.780 1.00 14.63 O ATOM 2128 CB PRO B 61 -2.625 -1.224 4.770 1.00 12.64 C ATOM 2129 CG PRO B 61 -1.449 -1.904 4.194 1.00 12.56 C ATOM 2130 CD PRO B 61 -0.869 -1.034 3.116 1.00 11.43 C ATOM 2131 HA PRO B 61 -3.757 0.287 3.636 1.00 0.00 H ATOM 2132 HD3 PRO B 61 0.143 -0.724 3.378 1.00 0.00 H ATOM 2133 HD2 PRO B 61 -0.850 -1.565 2.165 1.00 0.00 H ATOM 2134 HG3 PRO B 61 -1.750 -2.862 3.770 1.00 0.00 H ATOM 2135 HG2 PRO B 61 -0.704 -2.070 4.972 1.00 0.00 H ATOM 2136 HB2 PRO B 61 -2.480 -1.079 5.841 1.00 0.00 H ATOM 2137 HB3 PRO B 61 -3.518 -1.826 4.604 1.00 0.00 H ATOM 2138 N GLN B 62 -1.449 1.815 5.252 1.00 11.09 N ATOM 2139 CA GLN B 62 -1.173 2.872 6.212 1.00 10.57 C ATOM 2140 C GLN B 62 -1.071 4.224 5.498 1.00 8.01 C ATOM 2141 O GLN B 62 -0.620 5.157 6.133 1.00 7.65 O ATOM 2142 CB GLN B 62 0.213 2.650 6.844 1.00 13.50 C ATOM 2143 CG GLN B 62 0.601 1.578 7.800 1.00 15.99 C ATOM 2144 CD GLN B 62 1.961 1.725 8.442 1.00 16.78 C ATOM 2145 OE1 GLN B 62 3.022 1.343 7.947 1.00 14.97 O ATOM 2146 NE2 GLN B 62 2.002 2.277 9.660 1.00 18.36 N ATOM 2147 HA GLN B 62 -1.975 2.860 6.950 1.00 0.00 H ATOM 2148 HB2 GLN B 62 0.891 2.532 5.999 1.00 0.00 H ATOM 2149 HB3 GLN B 62 0.438 3.583 7.361 1.00 0.00 H ATOM 2150 HG2 GLN B 62 -0.143 1.555 8.596 1.00 0.00 H ATOM 2151 HG3 GLN B 62 0.586 0.630 7.263 1.00 0.00 H ATOM 2152 HE22 GLN B 62 1.126 2.611 10.109 1.00 0.00 H ATOM 2153 HE21 GLN B 62 2.910 2.372 10.158 1.00 0.00 H ATOM 2154 H GLN B 62 -0.672 1.503 4.635 1.00 0.00 H ATOM 2155 N MET B 63 -1.501 4.356 4.246 1.00 7.83 N ATOM 2156 CA MET B 63 -1.199 5.520 3.439 1.00 7.41 C ATOM 2157 C MET B 63 -1.497 6.824 4.128 1.00 7.32 C ATOM 2158 O MET B 63 -0.671 7.729 4.197 1.00 7.24 O ATOM 2159 CB MET B 63 -1.878 5.456 2.056 1.00 6.78 C ATOM 2160 CG MET B 63 -1.402 6.540 1.091 1.00 7.86 C ATOM 2161 SD MET B 63 0.309 6.359 0.536 1.00 6.89 S ATOM 2162 CE MET B 63 0.137 5.049 -0.667 1.00 9.67 C ATOM 2163 HA MET B 63 -0.120 5.493 3.288 1.00 0.00 H ATOM 2164 HB2 MET B 63 -1.667 4.483 1.613 1.00 0.00 H ATOM 2165 HB3 MET B 63 -2.954 5.565 2.194 1.00 0.00 H ATOM 2166 HG2 MET B 63 -1.497 7.505 1.590 1.00 0.00 H ATOM 2167 HG3 MET B 63 -2.048 6.521 0.213 1.00 0.00 H ATOM 2168 HE1 MET B 63 -0.260 4.159 -0.179 1.00 0.00 H ATOM 2169 HE2 MET B 63 -0.546 5.368 -1.455 1.00 0.00 H ATOM 2170 HE3 MET B 63 1.112 4.824 -1.099 1.00 0.00 H ATOM 2171 H MET B 63 -2.076 3.595 3.831 1.00 0.00 H ATOM 2172 N GLU B 64 -2.738 7.005 4.605 1.00 8.30 N ATOM 2173 CA GLU B 64 -3.123 8.224 5.272 1.00 10.31 C ATOM 2174 C GLU B 64 -2.351 8.541 6.542 1.00 8.70 C ATOM 2175 O GLU B 64 -2.147 9.717 6.826 1.00 9.52 O ATOM 2176 CB GLU B 64 -4.593 8.117 5.783 1.00 12.98 C ATOM 2177 CG GLU B 64 -5.531 8.473 4.690 1.00 16.25 C ATOM 2178 CD GLU B 64 -6.956 8.771 5.117 1.00 17.04 C ATOM 2179 OE1 GLU B 64 -7.379 8.990 6.264 1.00 19.69 O ATOM 2180 OE2 GLU B 64 -7.688 8.768 4.144 1.00 17.75 O ATOM 2181 HA GLU B 64 -2.942 8.987 4.514 1.00 0.00 H ATOM 2182 HB2 GLU B 64 -4.789 7.096 6.111 1.00 0.00 H ATOM 2183 HB3 GLU B 64 -4.736 8.800 6.620 1.00 0.00 H ATOM 2184 HG2 GLU B 64 -5.140 9.358 4.187 1.00 0.00 H ATOM 2185 HG3 GLU B 64 -5.559 7.640 3.988 1.00 0.00 H ATOM 2186 H GLU B 64 -3.440 6.247 4.491 1.00 0.00 H ATOM 2187 N ALA B 65 -1.963 7.503 7.265 1.00 8.07 N ATOM 2188 CA ALA B 65 -1.239 7.630 8.499 1.00 8.21 C ATOM 2189 C ALA B 65 0.248 7.907 8.306 1.00 6.41 C ATOM 2190 O ALA B 65 0.876 8.385 9.242 1.00 7.15 O ATOM 2191 CB ALA B 65 -1.370 6.384 9.370 1.00 9.75 C ATOM 2192 HA ALA B 65 -1.696 8.488 8.991 1.00 0.00 H ATOM 2193 HB1 ALA B 65 -2.421 6.217 9.607 1.00 0.00 H ATOM 2194 HB2 ALA B 65 -0.976 5.522 8.831 1.00 0.00 H ATOM 2195 HB3 ALA B 65 -0.806 6.526 10.292 1.00 0.00 H ATOM 2196 H ALA B 65 -2.194 6.548 6.923 1.00 0.00 H ATOM 2197 N LEU B 66 0.804 7.601 7.129 1.00 5.54 N ATOM 2198 CA LEU B 66 2.231 7.860 6.939 1.00 3.98 C ATOM 2199 C LEU B 66 2.589 9.308 7.248 1.00 3.93 C ATOM 2200 O LEU B 66 1.833 10.205 6.847 1.00 5.45 O ATOM 2201 CB LEU B 66 2.680 7.524 5.513 1.00 4.14 C ATOM 2202 CG LEU B 66 2.522 6.044 5.127 1.00 4.10 C ATOM 2203 CD1 LEU B 66 2.862 5.864 3.636 1.00 4.86 C ATOM 2204 CD2 LEU B 66 3.365 5.128 6.022 1.00 4.82 C ATOM 2205 HA LEU B 66 2.756 7.210 7.640 1.00 0.00 H ATOM 2206 HB2 LEU B 66 2.089 8.122 4.820 1.00 0.00 H ATOM 2207 HB3 LEU B 66 3.732 7.791 5.415 1.00 0.00 H ATOM 2208 HG LEU B 66 1.485 5.749 5.286 1.00 0.00 H ATOM 2209 HD21 LEU B 66 4.417 5.397 5.926 1.00 0.00 H ATOM 2210 HD22 LEU B 66 3.051 5.247 7.059 1.00 0.00 H ATOM 2211 HD23 LEU B 66 3.224 4.092 5.715 1.00 0.00 H ATOM 2212 HD11 LEU B 66 2.186 6.471 3.035 1.00 0.00 H ATOM 2213 HD12 LEU B 66 3.890 6.179 3.459 1.00 0.00 H ATOM 2214 HD13 LEU B 66 2.750 4.815 3.363 1.00 0.00 H ATOM 2215 H LEU B 66 0.233 7.187 6.364 1.00 0.00 H ATOM 2216 N ILE B 67 3.763 9.541 7.862 1.00 3.65 N ATOM 2217 CA ILE B 67 4.201 10.915 8.076 1.00 4.27 C ATOM 2218 C ILE B 67 4.905 11.446 6.833 1.00 3.58 C ATOM 2219 O ILE B 67 5.051 12.651 6.652 1.00 5.17 O ATOM 2220 CB ILE B 67 5.016 11.107 9.352 1.00 4.50 C ATOM 2221 CG1 ILE B 67 6.360 10.376 9.321 1.00 5.42 C ATOM 2222 CG2 ILE B 67 4.164 10.699 10.560 1.00 4.62 C ATOM 2223 CD1 ILE B 67 7.276 10.815 10.459 1.00 5.13 C ATOM 2224 HA ILE B 67 3.307 11.517 8.238 1.00 0.00 H ATOM 2225 HB ILE B 67 5.273 12.163 9.435 1.00 0.00 H ATOM 2226 HG12 ILE B 67 6.180 9.304 9.407 1.00 0.00 H ATOM 2227 HG13 ILE B 67 6.853 10.585 8.372 1.00 0.00 H ATOM 2228 HD11 ILE B 67 7.468 11.885 10.377 1.00 0.00 H ATOM 2229 HD12 ILE B 67 6.795 10.603 11.414 1.00 0.00 H ATOM 2230 HD13 ILE B 67 8.218 10.270 10.397 1.00 0.00 H ATOM 2231 HG21 ILE B 67 3.270 11.321 10.599 1.00 0.00 H ATOM 2232 HG22 ILE B 67 3.876 9.652 10.463 1.00 0.00 H ATOM 2233 HG23 ILE B 67 4.743 10.835 11.474 1.00 0.00 H ATOM 2234 H ILE B 67 4.354 8.747 8.182 1.00 0.00 H ATOM 2235 N LYS B 68 5.306 10.579 5.899 1.00 3.56 N ATOM 2236 CA LYS B 68 5.748 10.958 4.576 1.00 3.73 C ATOM 2237 C LYS B 68 5.207 9.918 3.598 1.00 3.43 C ATOM 2238 O LYS B 68 5.496 8.729 3.695 1.00 3.39 O ATOM 2239 CB LYS B 68 7.248 11.113 4.411 1.00 4.98 C ATOM 2240 CG LYS B 68 7.645 11.654 3.032 1.00 6.13 C ATOM 2241 CD LYS B 68 9.159 11.768 2.930 1.00 7.07 C ATOM 2242 CE LYS B 68 9.611 12.353 1.605 1.00 7.80 C ATOM 2243 NZ LYS B 68 9.231 13.759 1.357 1.00 9.62 N ATOM 2244 HA LYS B 68 5.358 11.957 4.379 1.00 0.00 H ATOM 2245 HB2 LYS B 68 7.612 11.802 5.173 1.00 0.00 H ATOM 2246 HB3 LYS B 68 7.716 10.138 4.550 1.00 0.00 H ATOM 2247 HG2 LYS B 68 7.282 10.976 2.260 1.00 0.00 H ATOM 2248 HG3 LYS B 68 7.199 12.638 2.888 1.00 0.00 H ATOM 2249 HD2 LYS B 68 9.516 12.410 3.736 1.00 0.00 H ATOM 2250 HD3 LYS B 68 9.593 10.774 3.039 1.00 0.00 H ATOM 2251 HE2 LYS B 68 9.183 11.745 0.808 1.00 0.00 H ATOM 2252 HE3 LYS B 68 10.698 12.289 1.565 1.00 0.00 H ATOM 2253 HZ1 LYS B 68 8.195 13.845 1.374 1.00 0.00 H ATOM 2254 HZ2 LYS B 68 9.642 14.364 2.097 1.00 0.00 H ATOM 2255 HZ3 LYS B 68 9.590 14.055 0.427 1.00 0.00 H ATOM 2256 H LYS B 68 5.300 9.567 6.139 1.00 0.00 H ATOM 2257 N LYS B 69 4.418 10.396 2.652 1.00 4.29 N ATOM 2258 CA LYS B 69 3.814 9.523 1.648 1.00 5.19 C ATOM 2259 C LYS B 69 4.745 9.413 0.452 1.00 5.02 C ATOM 2260 O LYS B 69 5.403 10.384 0.150 1.00 4.51 O ATOM 2261 CB LYS B 69 2.475 10.086 1.161 1.00 6.48 C ATOM 2262 CG LYS B 69 1.305 9.869 2.096 1.00 8.24 C ATOM 2263 CD LYS B 69 1.322 10.854 3.226 1.00 10.40 C ATOM 2264 CE LYS B 69 -0.031 10.901 3.915 1.00 10.73 C ATOM 2265 NZ LYS B 69 -0.034 11.472 5.261 1.00 13.97 N ATOM 2266 HA LYS B 69 3.648 8.547 2.105 1.00 0.00 H ATOM 2267 HB2 LYS B 69 2.594 11.159 1.013 1.00 0.00 H ATOM 2268 HB3 LYS B 69 2.237 9.614 0.208 1.00 0.00 H ATOM 2269 HG2 LYS B 69 0.377 9.985 1.537 1.00 0.00 H ATOM 2270 HG3 LYS B 69 1.358 8.859 2.504 1.00 0.00 H ATOM 2271 HD2 LYS B 69 2.082 10.557 3.949 1.00 0.00 H ATOM 2272 HD3 LYS B 69 1.560 11.843 2.836 1.00 0.00 H ATOM 2273 HE2 LYS B 69 -0.409 9.881 3.982 1.00 0.00 H ATOM 2274 HE3 LYS B 69 -0.702 11.496 3.296 1.00 0.00 H ATOM 2275 HZ1 LYS B 69 0.589 10.910 5.876 1.00 0.00 H ATOM 2276 HZ2 LYS B 69 0.309 12.453 5.221 1.00 0.00 H ATOM 2277 HZ3 LYS B 69 -1.002 11.457 5.640 1.00 0.00 H ATOM 2278 H LYS B 69 4.222 11.417 2.621 1.00 0.00 H ATOM 2279 N PRO B 70 4.746 8.268 -0.214 1.00 4.75 N ATOM 2280 CA PRO B 70 5.541 8.105 -1.416 1.00 4.43 C ATOM 2281 C PRO B 70 5.073 8.985 -2.566 1.00 3.56 C ATOM 2282 O PRO B 70 3.888 9.154 -2.809 1.00 3.77 O ATOM 2283 CB PRO B 70 5.370 6.620 -1.767 1.00 4.30 C ATOM 2284 CG PRO B 70 4.025 6.297 -1.212 1.00 4.83 C ATOM 2285 CD PRO B 70 3.910 7.083 0.086 1.00 4.37 C ATOM 2286 HA PRO B 70 6.577 8.401 -1.249 1.00 0.00 H ATOM 2287 HD3 PRO B 70 2.877 7.365 0.291 1.00 0.00 H ATOM 2288 HD2 PRO B 70 4.306 6.519 0.930 1.00 0.00 H ATOM 2289 HG3 PRO B 70 3.942 5.228 -1.017 1.00 0.00 H ATOM 2290 HG2 PRO B 70 3.244 6.600 -1.909 1.00 0.00 H ATOM 2291 HB2 PRO B 70 5.396 6.467 -2.846 1.00 0.00 H ATOM 2292 HB3 PRO B 70 6.144 6.014 -1.296 1.00 0.00 H ATOM 2293 N GLY B 71 6.071 9.450 -3.317 1.00 3.74 N ATOM 2294 CA GLY B 71 5.794 10.203 -4.543 1.00 3.35 C ATOM 2295 C GLY B 71 5.464 9.263 -5.697 1.00 3.11 C ATOM 2296 O GLY B 71 4.815 9.707 -6.651 1.00 3.02 O ATOM 2297 HA3 GLY B 71 6.671 10.795 -4.804 1.00 0.00 H ATOM 2298 HA2 GLY B 71 4.947 10.867 -4.370 1.00 0.00 H ATOM 2299 H GLY B 71 7.056 9.277 -3.030 1.00 0.00 H ATOM 2300 N TYR B 72 5.830 8.013 -5.628 1.00 3.79 N ATOM 2301 CA TYR B 72 5.521 6.995 -6.625 1.00 4.41 C ATOM 2302 C TYR B 72 4.291 6.243 -6.127 1.00 4.55 C ATOM 2303 O TYR B 72 3.878 6.321 -4.954 1.00 5.18 O ATOM 2304 CB TYR B 72 6.725 6.056 -6.794 1.00 5.21 C ATOM 2305 CG TYR B 72 7.027 5.157 -5.603 1.00 4.62 C ATOM 2306 CD1 TYR B 72 7.747 5.638 -4.519 1.00 5.01 C ATOM 2307 CD2 TYR B 72 6.530 3.879 -5.535 1.00 5.02 C ATOM 2308 CE1 TYR B 72 7.995 4.840 -3.428 1.00 5.28 C ATOM 2309 CE2 TYR B 72 6.755 3.049 -4.445 1.00 3.97 C ATOM 2310 CZ TYR B 72 7.497 3.542 -3.391 1.00 4.35 C ATOM 2311 OH TYR B 72 7.707 2.749 -2.272 1.00 4.75 O ATOM 2312 HA TYR B 72 5.316 7.435 -7.601 1.00 0.00 H ATOM 2313 HB3 TYR B 72 7.606 6.669 -6.984 1.00 0.00 H ATOM 2314 HB2 TYR B 72 6.535 5.418 -7.657 1.00 0.00 H ATOM 2315 HD2 TYR B 72 5.937 3.502 -6.368 1.00 0.00 H ATOM 2316 HE2 TYR B 72 6.356 2.035 -4.422 1.00 0.00 H ATOM 2317 HE1 TYR B 72 8.581 5.224 -2.593 1.00 0.00 H ATOM 2318 HD1 TYR B 72 8.121 6.662 -4.533 1.00 0.00 H ATOM 2319 HH TYR B 72 8.254 3.247 -1.614 1.00 0.00 H ATOM 2320 H TYR B 72 6.385 7.720 -4.798 1.00 0.00 H ATOM 2321 N SER B 73 3.695 5.441 -7.011 1.00 3.99 N ATOM 2322 CA SER B 73 2.582 4.576 -6.673 1.00 4.91 C ATOM 2323 C SER B 73 2.719 3.205 -7.334 1.00 5.45 C ATOM 2324 O SER B 73 3.127 3.121 -8.480 1.00 6.38 O ATOM 2325 CB SER B 73 1.230 5.179 -7.092 1.00 6.80 C ATOM 2326 OG SER B 73 0.161 4.301 -6.760 1.00 9.57 O ATOM 2327 HA SER B 73 2.607 4.470 -5.588 1.00 0.00 H ATOM 2328 HB2 SER B 73 1.232 5.349 -8.169 1.00 0.00 H ATOM 2329 HB3 SER B 73 1.086 6.128 -6.576 1.00 0.00 H ATOM 2330 HG SER B 73 -0.697 4.708 -7.038 1.00 0.00 H ATOM 2331 H SER B 73 4.046 5.436 -7.990 1.00 0.00 H ATOM 2332 N MET B 74 2.304 2.171 -6.610 1.00 4.91 N ATOM 2333 CA MET B 74 2.235 0.825 -7.190 1.00 5.88 C ATOM 2334 C MET B 74 0.796 0.435 -7.454 1.00 9.39 C ATOM 2335 O MET B 74 0.524 -0.751 -7.724 1.00 11.73 O ATOM 2336 CB MET B 74 2.977 -0.199 -6.333 1.00 6.74 C ATOM 2337 CG MET B 74 4.430 0.191 -6.192 1.00 7.57 C ATOM 2338 SD MET B 74 5.454 -1.074 -5.465 1.00 9.64 S ATOM 2339 CE MET B 74 5.841 -2.045 -6.922 1.00 10.74 C ATOM 2340 HA MET B 74 2.748 0.838 -8.151 1.00 0.00 H ATOM 2341 HB2 MET B 74 2.518 -0.242 -5.345 1.00 0.00 H ATOM 2342 HB3 MET B 74 2.911 -1.179 -6.805 1.00 0.00 H ATOM 2343 HG2 MET B 74 4.487 1.081 -5.565 1.00 0.00 H ATOM 2344 HG3 MET B 74 4.821 0.421 -7.183 1.00 0.00 H ATOM 2345 HE1 MET B 74 4.918 -2.422 -7.361 1.00 0.00 H ATOM 2346 HE2 MET B 74 6.360 -1.419 -7.647 1.00 0.00 H ATOM 2347 HE3 MET B 74 6.479 -2.882 -6.640 1.00 0.00 H ATOM 2348 H MET B 74 2.024 2.318 -5.619 1.00 0.00 H ATOM 2349 N ASN B 75 -0.108 1.396 -7.538 1.00 11.35 N ATOM 2350 CA ASN B 75 -1.503 1.100 -7.863 1.00 13.68 C ATOM 2351 C ASN B 75 -2.048 2.158 -8.804 1.00 13.87 C ATOM 2352 O ASN B 75 -3.081 2.780 -8.588 1.00 14.65 O ATOM 2353 CB ASN B 75 -2.325 0.992 -6.583 1.00 16.52 C ATOM 2354 CG ASN B 75 -3.735 0.519 -6.892 1.00 19.76 C ATOM 2355 OD1 ASN B 75 -3.927 -0.242 -7.842 1.00 21.57 O ATOM 2356 ND2 ASN B 75 -4.692 0.994 -6.109 1.00 22.43 N ATOM 2357 HA ASN B 75 -1.567 0.140 -8.374 1.00 0.00 H ATOM 2358 HB2 ASN B 75 -1.848 0.281 -5.909 1.00 0.00 H ATOM 2359 HB3 ASN B 75 -2.372 1.970 -6.103 1.00 0.00 H ATOM 2360 HD22 ASN B 75 -4.453 1.633 -5.325 1.00 0.00 H ATOM 2361 HD21 ASN B 75 -5.683 0.728 -6.279 1.00 0.00 H ATOM 2362 H ASN B 75 0.178 2.382 -7.370 1.00 0.00 H ATOM 2363 N ALA B 76 -1.335 2.359 -9.915 1.00 13.24 N ATOM 2364 CA ALA B 76 -1.749 3.331 -10.914 1.00 13.35 C ATOM 2365 C ALA B 76 -2.641 2.634 -11.979 1.00 14.54 C ATOM 2366 O ALA B 76 -3.372 3.473 -12.578 1.00 16.27 O ATOM 2367 CB ALA B 76 -0.555 3.996 -11.567 1.00 13.20 C ATOM 2368 HA ALA B 76 -2.325 4.113 -10.419 1.00 0.00 H ATOM 2369 OXT ALA B 76 -2.550 1.416 -12.121 1.00 16.27 O ATOM 2370 HB1 ALA B 76 0.034 4.510 -10.807 1.00 0.00 H ATOM 2371 HB2 ALA B 76 0.059 3.239 -12.054 1.00 0.00 H ATOM 2372 HB3 ALA B 76 -0.902 4.716 -12.308 1.00 0.00 H ATOM 2373 H ALA B 76 -0.466 1.809 -10.069 1.00 0.00 H TER 2374 ALA B 76 HETATM 2375 O HOH 1 5.817 0.617 8.155 1.00 6.42 O HETATM 2376 O HOH 2 10.552 0.124 13.427 1.00 5.69 O HETATM 2377 O HOH 3 6.405 22.893 16.279 1.00 40.61 O HETATM 2378 O HOH 4 4.031 24.286 13.868 1.00 30.28 O HETATM 2379 O HOH 5 -1.873 16.864 17.554 1.00 21.43 O HETATM 2380 O HOH 6 -0.836 17.755 7.646 1.00 38.45 O HETATM 2381 O HOH 7 10.058 -2.448 12.938 1.00 12.46 O HETATM 2382 O HOH 8 5.512 -3.064 11.884 1.00 28.83 O HETATM 2383 O HOH 9 7.793 -2.169 10.010 1.00 18.77 O HETATM 2384 O HOH 10 4.406 21.588 8.624 1.00 26.09 O HETATM 2385 O HOH 11 8.181 23.103 11.257 1.00 33.77 O HETATM 2386 O HOH 12 -0.239 18.309 20.093 1.00 29.66 O HETATM 2387 O HOH 13 -2.866 12.888 16.312 1.00 25.83 O HETATM 2388 O HOH 14 7.799 19.076 5.473 1.00 34.23 O HETATM 2389 O HOH 15 11.098 21.031 8.293 1.00 23.97 O HETATM 2390 O HOH 16 13.162 21.018 12.035 1.00 32.42 O HETATM 2391 O HOH 17 5.734 7.498 26.697 1.00 27.46 O HETATM 2392 O HOH 18 15.713 16.612 1.681 1.00 23.43 O HETATM 2393 O HOH 19 16.398 18.402 4.823 1.00 38.00 O HETATM 2394 O HOH 20 31.120 2.134 14.932 1.00 35.33 O HETATM 2395 O HOH 21 6.715 15.530 21.889 1.00 35.50 O HETATM 2396 O HOH 22 4.651 14.259 25.210 1.00 40.89 O HETATM 2397 O HOH 23 0.787 12.057 17.839 1.00 31.64 O HETATM 2398 O HOH 24 29.129 7.489 4.368 1.00 23.49 O HETATM 2399 O HOH 25 4.248 22.233 17.743 1.00 30.83 O HETATM 2400 O HOH 26 1.529 22.884 15.218 1.00 25.44 O HETATM 2401 O HOH 27 -0.363 22.027 18.056 1.00 28.31 O HETATM 2402 O HOH 28 16.792 10.569 -11.633 1.00 34.36 O HETATM 2403 O HOH 29 16.173 4.230 -7.732 1.00 34.90 O HETATM 2404 O HOH 30 -2.364 16.305 15.089 1.00 23.02 O HETATM 2405 O HOH 31 1.485 13.114 9.791 1.00 27.65 O HETATM 2406 O HOH 32 2.270 16.474 8.859 1.00 21.24 O HETATM 2407 O HOH 33 6.821 21.092 9.896 1.00 17.29 O HETATM 2408 O HOH 34 8.806 20.960 18.143 1.00 33.00 O HETATM 2409 O HOH 35 2.536 18.782 20.278 1.00 28.05 O HETATM 2410 O HOH 36 -2.729 11.426 13.467 1.00 41.61 O HETATM 2411 O HOH 37 5.057 -10.027 23.733 1.00 31.86 O HETATM 2412 O HOH 38 -0.934 -1.656 31.940 1.00 36.63 O HETATM 2413 O HOH 39 7.909 16.443 5.598 1.00 15.61 O HETATM 2414 O HOH 40 8.572 20.424 7.909 1.00 19.38 O HETATM 2415 O HOH 41 4.004 -5.853 17.605 1.00 22.78 O HETATM 2416 O HOH 42 1.899 -2.956 19.009 1.00 19.04 O HETATM 2417 O HOH 43 12.705 19.566 9.785 1.00 22.28 O HETATM 2418 O HOH 44 4.991 -9.503 17.248 1.00 39.51 O HETATM 2419 O HOH 45 8.130 -12.676 18.046 1.00 24.21 O HETATM 2420 O HOH 46 11.774 -14.821 21.201 1.00 47.07 O HETATM 2421 O HOH 47 9.441 -14.610 19.651 1.00 44.04 O HETATM 2422 O HOH 48 14.172 17.361 3.664 1.00 18.03 O HETATM 2423 O HOH 49 18.305 16.037 8.250 1.00 17.40 O HETATM 2424 O HOH 50 16.662 20.547 9.768 1.00 14.45 O HETATM 2425 O HOH 51 14.960 18.996 6.962 1.00 24.82 O HETATM 2426 O HOH 52 17.409 -14.884 17.014 1.00 17.31 O HETATM 2427 O HOH 53 18.618 -9.433 9.781 1.00 31.20 O HETATM 2428 O HOH 54 23.993 -13.862 7.937 1.00 41.62 O HETATM 2429 O HOH 55 28.846 0.792 14.871 1.00 32.94 O HETATM 2430 O HOH 56 26.717 1.793 17.395 1.00 24.57 O HETATM 2431 O HOH 57 18.085 17.456 1.157 1.00 21.46 O HETATM 2432 O HOH 58 21.362 18.560 4.264 1.00 15.62 O HETATM 2433 O HOH 59 16.174 -15.275 21.343 1.00 21.19 O HETATM 2434 O HOH 60 15.155 -13.639 32.533 1.00 13.31 O HETATM 2435 O HOH 61 11.525 -18.815 26.506 1.00 28.77 O HETATM 2436 O HOH 62 26.921 10.623 2.334 1.00 11.28 O HETATM 2437 O HOH 63 24.775 8.895 -1.086 1.00 13.15 O HETATM 2438 O HOH 64 26.680 6.505 4.873 1.00 9.62 O HETATM 2439 O HOH 65 26.472 6.018 2.105 1.00 17.37 O HETATM 2440 O HOH 66 24.906 4.918 -5.905 1.00 32.43 O HETATM 2441 O HOH 67 26.728 10.018 -2.485 1.00 11.29 O HETATM 2442 O HOH 68 25.101 6.250 -1.387 1.00 23.12 O HETATM 2443 O HOH 69 20.285 5.157 -5.338 1.00 24.14 O HETATM 2444 O HOH 70 19.709 11.050 -5.465 1.00 16.07 O HETATM 2445 O HOH 71 18.055 14.610 -9.725 1.00 36.36 O HETATM 2446 O HOH 72 14.378 11.734 -10.338 1.00 23.60 O HETATM 2447 O HOH 73 12.162 13.129 -6.133 1.00 12.42 O HETATM 2448 O HOH 74 15.793 6.844 -5.399 1.00 21.53 O HETATM 2449 O HOH 75 7.751 12.937 -2.920 1.00 7.38 O HETATM 2450 O HOH 76 8.042 15.853 -1.827 1.00 39.16 O HETATM 2451 O HOH 77 8.123 10.470 -1.254 1.00 8.77 O HETATM 2452 O HOH 78 9.761 16.369 -4.364 1.00 25.51 O HETATM 2453 O HOH 79 13.257 16.440 -0.122 1.00 21.33 O HETATM 2454 O HOH 80 0.831 5.227 13.032 1.00 23.46 O HETATM 2455 O HOH 81 2.356 8.719 13.155 1.00 20.64 O HETATM 2456 O HOH 82 0.365 9.803 21.466 1.00 33.81 O HETATM 2457 O HOH 83 1.796 8.621 15.628 1.00 28.89 O HETATM 2458 O HOH 84 -0.358 3.292 20.919 1.00 24.54 O HETATM 2459 O HOH 85 0.950 1.636 17.097 1.00 34.24 O HETATM 2460 O HOH 86 0.836 5.474 16.234 1.00 17.92 O HETATM 2461 O HOH 87 0.849 -0.247 21.990 1.00 20.51 O HETATM 2462 O HOH 88 9.053 -1.585 28.784 1.00 34.37 O HETATM 2463 O HOH 89 7.211 -4.519 27.188 1.00 11.49 O HETATM 2464 O HOH 90 -0.445 -2.016 24.753 1.00 11.34 O HETATM 2465 O HOH 91 4.324 -8.350 26.746 1.00 46.85 O HETATM 2466 O HOH 92 5.346 -6.700 28.456 1.00 33.05 O HETATM 2467 O HOH 93 0.838 2.538 28.699 1.00 26.93 O HETATM 2468 O HOH 94 -2.030 -2.666 28.855 1.00 32.04 O HETATM 2469 O HOH 95 3.759 -4.471 20.097 1.00 13.58 O HETATM 2470 O HOH 96 12.018 -8.087 29.483 1.00 13.92 O HETATM 2471 O HOH 97 6.186 -6.954 16.553 1.00 32.95 O HETATM 2472 O HOH 98 4.670 -7.130 24.339 1.00 10.87 O HETATM 2473 O HOH 99 6.779 -10.525 19.062 1.00 14.43 O HETATM 2474 O HOH 100 12.766 -12.388 24.592 1.00 9.51 O HETATM 2475 O HOH 101 12.870 -13.493 19.240 1.00 24.90 O HETATM 2476 O HOH 102 8.628 -14.229 22.167 1.00 33.32 O HETATM 2477 O HOH 103 6.648 -11.377 21.982 1.00 20.75 O HETATM 2478 O HOH 104 8.843 -12.644 25.459 1.00 17.65 O HETATM 2479 O HOH 105 10.579 -11.913 13.674 1.00 25.49 O HETATM 2480 O HOH 106 13.106 -9.509 12.469 1.00 22.70 O HETATM 2481 O HOH 107 8.317 -5.980 10.505 1.00 31.38 O HETATM 2482 O HOH 108 8.429 -8.907 11.904 1.00 43.02 O HETATM 2483 O HOH 109 6.904 -5.858 14.205 1.00 29.81 O HETATM 2484 O HOH 110 10.041 -3.405 10.510 1.00 27.15 O HETATM 2485 O HOH 111 11.809 -7.585 10.463 1.00 37.77 O HETATM 2486 O HOH 112 20.325 -11.963 18.659 1.00 5.63 O HETATM 2487 O HOH 113 17.918 -14.340 14.139 1.00 26.59 O HETATM 2488 O HOH 114 18.667 -6.639 9.642 1.00 20.62 O HETATM 2489 O HOH 115 25.014 -5.782 14.207 1.00 6.20 O HETATM 2490 O HOH 116 19.490 -15.109 12.111 1.00 21.57 O HETATM 2491 O HOH 117 20.996 -11.893 15.722 1.00 5.36 O HETATM 2492 O HOH 118 19.067 -11.330 11.381 1.00 17.92 O HETATM 2493 O HOH 119 21.162 -14.196 9.010 1.00 30.73 O HETATM 2494 O HOH 120 26.336 -7.970 10.331 1.00 33.16 O HETATM 2495 O HOH 121 22.750 -16.278 11.715 1.00 5.92 O HETATM 2496 O HOH 122 27.324 -9.410 13.771 1.00 8.54 O HETATM 2497 O HOH 123 28.408 -7.814 11.839 1.00 17.79 O HETATM 2498 O HOH 124 20.034 -4.254 10.167 1.00 8.05 O HETATM 2499 O HOH 125 25.622 -4.377 10.332 1.00 32.25 O HETATM 2500 O HOH 126 23.967 -4.850 8.389 1.00 19.83 O HETATM 2501 O HOH 127 26.021 -2.647 14.995 1.00 9.25 O HETATM 2502 O HOH 128 26.780 -0.322 11.710 1.00 18.99 O HETATM 2503 O HOH 129 26.203 2.349 14.897 1.00 15.15 O HETATM 2504 O HOH 130 25.034 6.086 16.274 1.00 10.63 O HETATM 2505 O HOH 131 25.222 2.643 19.604 1.00 24.63 O HETATM 2506 O HOH 132 29.204 -4.085 15.060 1.00 34.17 O HETATM 2507 O HOH 133 24.967 -0.356 21.399 1.00 18.39 O HETATM 2508 O HOH 134 28.697 -4.171 18.202 1.00 19.17 O HETATM 2509 O HOH 135 25.850 -0.833 17.212 1.00 10.16 O HETATM 2510 O HOH 136 23.918 1.461 27.361 1.00 17.56 O HETATM 2511 O HOH 137 21.265 -5.535 23.791 1.00 9.82 O HETATM 2512 O HOH 138 15.227 0.287 20.604 1.00 3.01 O HETATM 2513 O HOH 139 22.462 -8.244 28.502 1.00 7.09 O HETATM 2514 O HOH 140 16.693 -12.287 30.822 1.00 6.36 O HETATM 2515 O HOH 141 18.601 -12.097 21.689 1.00 6.80 O HETATM 2516 O HOH 142 14.615 -8.951 29.994 1.00 10.41 O HETATM 2517 O HOH 143 15.148 -13.195 23.304 1.00 11.46 O HETATM 2518 O HOH 144 11.837 -14.971 24.287 1.00 27.49 O HETATM 2519 O HOH 145 13.915 -17.047 25.032 1.00 27.27 O HETATM 2520 O HOH 146 15.188 -14.875 25.589 1.00 13.95 O HETATM 2521 O HOH 147 13.322 -17.454 27.753 1.00 14.61 O HETATM 2522 O HOH 148 12.548 -14.416 31.529 1.00 19.79 O HETATM 2523 O HOH 149 16.488 5.190 -3.458 1.00 14.20 O HETATM 2524 O HOH 150 13.509 6.167 -9.119 1.00 24.91 O HETATM 2525 O HOH 151 33.445 1.803 11.208 1.00 39.18 O HETATM 2526 O HOH 152 33.821 1.994 -5.549 1.00 38.09 O HETATM 2527 O HOH 153 13.318 -3.970 12.193 1.00 7.86 O HETATM 2528 O HOH 154 10.818 -0.165 6.984 1.00 5.79 O HETATM 2529 O HOH 155 18.703 -4.746 -7.575 1.00 41.79 O HETATM 2530 O HOH 156 22.709 3.748 -4.614 1.00 30.36 O HETATM 2531 O HOH 157 17.561 2.592 -6.216 1.00 39.55 O HETATM 2532 O HOH 158 12.118 20.905 14.580 1.00 38.59 O HETATM 2533 O HOH 159 7.738 21.722 14.271 1.00 27.94 O HETATM 2534 O HOH 160 28.339 -1.834 14.074 1.00 32.15 O HETATM 2535 O HOH 161 10.158 -6.222 8.330 1.00 23.71 O HETATM 2536 O HOH 162 8.772 -1.753 7.511 1.00 11.72 O HETATM 2537 O HOH 163 35.288 1.009 9.153 1.00 32.07 O HETATM 2538 O HOH 164 32.572 3.650 -3.796 1.00 29.09 O HETATM 2539 O HOH 165 10.884 -7.867 4.693 1.00 47.37 O HETATM 2540 O HOH 166 29.259 5.745 15.050 1.00 26.78 O HETATM 2541 O HOH 167 19.476 -1.828 -6.226 1.00 26.49 O HETATM 2542 O HOH 168 19.711 1.064 -5.267 1.00 36.92 O HETATM 2543 O HOH 169 23.695 3.955 -1.984 1.00 20.47 O HETATM 2544 O HOH 170 25.450 0.299 -4.831 1.00 30.27 O HETATM 2545 O HOH 171 17.410 17.509 25.277 1.00 16.89 O HETATM 2546 O HOH 172 14.783 19.900 15.468 1.00 37.47 O HETATM 2547 O HOH 173 17.471 22.397 18.412 1.00 34.57 O HETATM 2548 O HOH 174 9.613 20.088 15.455 1.00 18.05 O HETATM 2549 O HOH 175 33.375 4.556 3.336 1.00 22.67 O HETATM 2550 O HOH 176 25.884 8.621 16.976 1.00 10.31 O HETATM 2551 O HOH 177 33.328 -2.717 5.517 1.00 31.14 O HETATM 2552 O HOH 178 29.534 -6.707 10.042 1.00 30.07 O HETATM 2553 O HOH 179 29.309 -0.143 11.032 1.00 18.26 O HETATM 2554 O HOH 180 34.449 0.748 6.441 1.00 15.75 O HETATM 2555 O HOH 181 34.801 7.656 9.881 1.00 31.97 O HETATM 2556 O HOH 182 29.603 6.294 -1.585 1.00 29.27 O HETATM 2557 O HOH 183 30.637 3.673 -1.981 1.00 38.24 O HETATM 2558 O HOH 184 22.440 -7.486 6.745 1.00 27.93 O HETATM 2559 O HOH 185 13.075 -9.247 3.302 1.00 37.84 O HETATM 2560 O HOH 186 29.228 -3.862 6.346 1.00 45.61 O HETATM 2561 O HOH 187 12.078 -9.428 0.850 1.00 20.13 O HETATM 2562 O HOH 188 11.992 -7.150 -11.796 1.00 31.79 O HETATM 2563 O HOH 189 8.244 -7.645 -10.374 1.00 39.74 O HETATM 2564 O HOH 190 26.864 4.919 14.459 1.00 7.66 O HETATM 2565 O HOH 191 8.594 -11.040 -0.287 1.00 42.73 O HETATM 2566 O HOH 192 8.274 -8.792 2.762 1.00 26.72 O HETATM 2567 O HOH 193 4.126 -9.561 3.156 1.00 41.50 O HETATM 2568 O HOH 194 7.411 -11.082 -2.780 1.00 38.09 O HETATM 2569 O HOH 195 -2.366 2.699 -3.030 1.00 21.79 O HETATM 2570 O HOH 196 0.219 -7.898 5.247 1.00 36.89 O HETATM 2571 O HOH 197 26.561 14.321 9.422 1.00 3.15 O HETATM 2572 O HOH 198 21.759 14.137 12.069 1.00 6.61 O HETATM 2573 O HOH 199 -5.164 5.793 1.269 1.00 33.39 O HETATM 2574 O HOH 200 -1.328 7.492 13.087 1.00 34.06 O HETATM 2575 O HOH 201 -5.353 6.472 8.916 1.00 27.42 O HETATM 2576 O HOH 202 -2.938 2.976 9.331 1.00 35.80 O HETATM 2577 O HOH 203 11.509 17.441 2.996 1.00 19.53 O HETATM 2578 O HOH 204 23.904 15.252 13.823 1.00 10.28 O HETATM 2579 O HOH 205 -6.963 1.074 -11.512 1.00 32.62 O HETATM 2580 O HOH 206 -2.460 6.733 -9.867 1.00 19.42 O HETATM 2581 O HOH 207 16.646 16.029 22.458 1.00 8.60 O HETATM 2582 O HOH 208 11.872 18.603 18.870 1.00 38.58 O HETATM 2583 O HOH 209 20.157 15.951 13.407 1.00 11.68 O HETATM 2584 O HOH 210 16.624 20.231 17.236 1.00 26.44 O HETATM 2585 O HOH 211 9.369 17.385 15.367 1.00 8.83 O HETATM 2586 O HOH 212 9.280 17.000 18.106 1.00 13.05 O HETATM 2587 O HOH 213 15.013 17.330 23.702 1.00 11.07 O HETATM 2588 O HOH 214 13.353 10.675 26.675 1.00 35.26 O HETATM 2589 O HOH 215 9.121 13.379 24.028 1.00 32.48 O HETATM 2590 O HOH 216 13.463 18.570 24.941 1.00 29.35 O HETATM 2591 O HOH 217 8.696 13.754 21.507 1.00 30.47 O HETATM 2592 O HOH 218 21.311 12.400 28.994 1.00 31.12 O HETATM 2593 O HOH 219 15.819 13.250 27.043 1.00 18.26 O HETATM 2594 O HOH 220 23.929 3.079 22.854 1.00 18.27 O HETATM 2595 O HOH 221 25.146 8.780 19.619 1.00 7.47 O HETATM 2596 O HOH 222 26.525 5.382 21.060 1.00 29.28 O HETATM 2597 O HOH 223 24.747 5.476 24.825 1.00 25.74 O HETATM 2598 O HOH 224 20.655 6.824 28.754 1.00 13.35 O HETATM 2599 O HOH 225 24.207 5.995 27.154 1.00 19.67 O HETATM 2600 O HOH 226 14.936 7.635 25.399 1.00 12.82 O HETATM 2601 O HOH 227 21.888 2.443 21.238 1.00 7.57 O HETATM 2602 O HOH 228 22.344 -3.589 6.733 1.00 22.75 O HETATM 2603 O HOH 229 19.870 -6.538 7.141 1.00 23.86 O HETATM 2604 O HOH 230 16.681 -8.387 6.116 1.00 25.44 O HETATM 2605 O HOH 231 17.697 -8.986 -0.339 1.00 31.95 O HETATM 2606 O HOH 232 23.918 -5.277 -1.717 1.00 45.35 O HETATM 2607 O HOH 233 19.786 -6.727 4.330 1.00 18.30 O HETATM 2608 O HOH 234 16.564 -8.510 3.455 1.00 29.74 O HETATM 2609 O HOH 235 14.174 -9.442 -0.879 1.00 14.45 O HETATM 2610 O HOH 236 21.337 -8.215 -3.878 1.00 40.44 O HETATM 2611 O HOH 237 6.323 -7.370 -8.224 1.00 30.39 O HETATM 2612 O HOH 238 7.685 -9.460 -8.632 1.00 29.86 O HETATM 2613 O HOH 239 10.379 -5.974 -9.955 1.00 32.85 O HETATM 2614 O HOH 240 14.236 -7.522 -10.608 1.00 26.45 O HETATM 2615 O HOH 241 13.465 -11.616 -2.614 1.00 37.83 O HETATM 2616 O HOH 242 9.472 -8.265 0.453 1.00 20.63 O HETATM 2617 O HOH 243 0.017 -5.673 -7.626 1.00 28.57 O HETATM 2618 O HOH 244 7.965 -5.493 -6.677 1.00 14.93 O HETATM 2619 O HOH 245 4.165 -6.013 -8.706 1.00 18.12 O HETATM 2620 O HOH 246 1.402 -3.519 -8.813 1.00 30.13 O HETATM 2621 O HOH 247 6.267 -7.327 3.688 1.00 31.33 O HETATM 2622 O HOH 248 6.698 -8.699 -3.947 1.00 18.65 O HETATM 2623 O HOH 249 2.537 -8.163 1.479 1.00 20.94 O HETATM 2624 O HOH 250 -2.109 -0.285 -3.518 1.00 27.11 O HETATM 2625 O HOH 251 -0.164 -7.009 -5.091 1.00 28.44 O HETATM 2626 O HOH 252 1.961 -8.873 -1.553 1.00 28.39 O HETATM 2627 O HOH 253 0.133 -7.608 2.556 1.00 30.01 O HETATM 2628 O HOH 254 -2.585 -3.622 0.607 1.00 26.59 O HETATM 2629 O HOH 255 0.722 -1.472 7.532 1.00 36.56 O HETATM 2630 O HOH 256 -0.172 -5.145 6.684 1.00 32.12 O HETATM 2631 O HOH 257 3.583 -2.170 10.107 1.00 42.77 O HETATM 2632 O HOH 258 6.283 -4.625 9.806 1.00 30.71 O HETATM 2633 O HOH 259 -3.405 3.096 -0.571 1.00 18.13 O HETATM 2634 O HOH 260 -5.074 3.021 2.895 1.00 17.37 O HETATM 2635 O HOH 261 -7.532 6.723 2.713 1.00 21.87 O HETATM 2636 O HOH 262 -4.769 4.805 5.025 1.00 19.28 O HETATM 2637 O HOH 263 0.167 11.016 9.475 1.00 38.41 O HETATM 2638 O HOH 264 2.725 6.488 10.117 1.00 8.83 O HETATM 2639 O HOH 265 -3.777 4.854 7.453 1.00 22.57 O HETATM 2640 O HOH 266 0.216 9.609 11.774 1.00 19.87 O HETATM 2641 O HOH 267 3.231 14.189 8.159 1.00 21.58 O HETATM 2642 O HOH 268 5.599 14.576 4.837 1.00 12.80 O HETATM 2643 O HOH 269 6.483 13.701 0.455 1.00 9.15 O HETATM 2644 O HOH 270 9.719 15.303 3.773 1.00 13.78 O HETATM 2645 O HOH 271 6.315 11.964 -1.259 1.00 3.81 O HETATM 2646 O HOH 272 9.017 3.927 -0.282 1.00 5.31 O HETATM 2647 O HOH 273 -0.507 -2.682 -6.096 1.00 31.39 O HETATM 2648 O HOH 274 2.723 -1.530 -9.500 1.00 26.15 O HETATM 2649 O HOH 275 -4.797 -0.145 -10.648 1.00 44.22 O HETATM 2650 O HOH 276 -4.460 4.779 -7.195 1.00 20.60 O HETATM 2651 O HOH 277 -4.369 3.231 -4.621 1.00 27.42 O HETATM 2652 O HOH 278 -3.303 -0.086 -14.220 1.00 23.94 O HETATM 2653 O HOH 279 -5.936 3.427 -12.873 1.00 31.02 O HETATM 2654 O HOH 280 -3.914 5.949 -11.943 1.00 14.70 O HETATM 2655 O HOH 281 15.424 4.929 29.185 1.00 34.47 O HETATM 2656 O HOH 282 17.941 2.705 27.045 1.00 16.60 O HETATM 2657 O HOH 283 12.901 7.786 23.461 1.00 16.90 O HETATM 2658 C1 FHC A 284 12.164 2.457 -4.448 1.00 -0.03 C HETATM 2659 C2 FHC A 284 10.859 2.925 -4.637 1.00 -0.06 C HETATM 2660 C3 FHC A 284 10.623 3.872 -5.612 1.00 -0.03 C HETATM 2661 C4 FHC A 284 11.622 4.361 -6.428 1.00 0.09 C HETATM 2662 C5 FHC A 284 12.923 3.891 -6.259 1.00 -0.03 C HETATM 2663 C6 FHC A 284 13.175 2.950 -5.285 1.00 -0.06 C HETATM 2664 H2 FHC A 284 14.186 2.579 -5.162 1.00 0.06 H HETATM 2665 H3 FHC A 284 13.726 4.261 -6.886 1.00 0.05 H HETATM 2666 O1 FHC A 284 11.354 5.315 -7.374 1.00 -0.33 O HETATM 2667 H4 FHC A 284 12.153 5.531 -7.839 1.00 0.25 H HETATM 2668 H5 FHC A 284 9.614 4.246 -5.742 1.00 0.05 H HETATM 2669 H6 FHC A 284 10.046 2.549 -4.027 1.00 0.06 H HETATM 2670 C7 FHC A 284 12.436 1.447 -3.428 1.00 -0.02 C HETATM 2671 C8 FHC A 284 13.488 1.310 -2.616 1.00 0.16 C HETATM 2672 C9 FHC A 284 14.651 2.190 -2.569 1.00 0.09 C HETATM 2673 O2 FHC A 284 14.392 3.501 -2.703 1.00 -0.56 O HETATM 2674 O3 FHC A 284 15.785 1.783 -2.452 1.00 -0.56 O HETATM 2675 F1 FHC A 284 13.534 0.259 -1.754 1.00 -0.18 F HETATM 2676 H1 FHC A 284 11.662 0.689 -3.312 1.00 0.06 H CONECT 2658 2659 2663 2670 CONECT 2659 2658 2660 2669 CONECT 2660 2659 2661 2668 CONECT 2661 2660 2662 2666 CONECT 2662 2661 2663 2665 CONECT 2663 2658 2662 2664 CONECT 2664 2663 CONECT 2665 2662 CONECT 2666 2661 2667 CONECT 2667 2666 CONECT 2668 2660 CONECT 2669 2659 CONECT 2670 2658 2671 2676 CONECT 2671 2670 2672 2675 CONECT 2672 2671 2673 2674 CONECT 2673 2672 CONECT 2674 2672 CONECT 2675 2671 CONECT 2676 2670 MASTER 0 0 0 0 0 0 0 0 2674 2 19 12 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1gyy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1gyx
RCSB PDB
PDBbind
76aa, >1GYX_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1mfi
RCSB PDB
PDBbind
FHC
Entry Information
PDB ID
1gyy
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
hypothetical protein ydce
Ligand Name
FHC
EC.Number
E.C.5.3.2.1
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Ki=230uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistryv41;pp.12010
Ligand Properties
Formula
C
9
H
7
FO
3
Molecular Weight
182.148
Exact Mass
182.038
No. of atoms
20
No. of bonds
20
Polar Surface Area
57.53
LOGP Value
2.71 (
Computed with XLOGP3
)
1.79 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
Oc1ccc(cc1)/C=C(\C(=O)O)/F
InChI String
InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/b8-5+
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):
P31992
Entrez Gene ID
NCBI Entrez Gene ID:
945731
ASD
Information of known allosteric effects of PDB entries
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