Browse entries in the PDBbind-CN Database
HEADER 1X8D_COMPLEX COMPND 1X8D_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 104 MET ILE ARG LYS ALA PHE VAL MET GLN VAL ASN PRO ASP SEQRES 2 A 104 ALA HIS GLU GLU TYR GLN ARG ARG HIS ASN PRO ILE TRP SEQRES 3 A 104 PRO GLU LEU GLU ALA VAL LEU LYS SER HIS GLY ALA HIS SEQRES 4 A 104 ASN TYR ALA ILE TYR LEU ASP LYS ALA ARG ASN LEU LEU SEQRES 5 A 104 PHE ALA MET VAL GLU ILE GLU SER GLU GLU ARG TRP ASN SEQRES 6 A 104 ALA VAL ALA SER THR ASP VAL CYS GLN ARG TRP TRP LYS SEQRES 7 A 104 TYR MET THR ASP VAL MET PRO ALA ASN PRO ASP ASN SER SEQRES 8 A 104 PRO VAL SER SER GLU LEU GLN GLU VAL PHE TYR LEU PRO SEQRES 1 B 104 MET ILE ARG LYS ALA PHE VAL MET GLN VAL ASN PRO ASP SEQRES 2 B 104 ALA HIS GLU GLU TYR GLN ARG ARG HIS ASN PRO ILE TRP SEQRES 3 B 104 PRO GLU LEU GLU ALA VAL LEU LYS SER HIS GLY ALA HIS SEQRES 4 B 104 ASN TYR ALA ILE TYR LEU ASP LYS ALA ARG ASN LEU LEU SEQRES 5 B 104 PHE ALA MET VAL GLU ILE GLU SER GLU GLU ARG TRP ASN SEQRES 6 B 104 ALA VAL ALA SER THR ASP VAL CYS GLN ARG TRP TRP LYS SEQRES 7 B 104 TYR MET THR ASP VAL MET PRO ALA ASN PRO ASP ASN SER SEQRES 8 B 104 PRO VAL SER SER GLU LEU GLN GLU VAL PHE TYR LEU PRO HET RNS A 439 21 ATOM 1 N MET A 1 -1.177 17.736 -0.555 1.00 37.39 N ATOM 2 CA MET A 1 -0.146 18.687 -1.065 1.00 35.23 C ATOM 3 C MET A 1 1.246 18.111 -0.868 1.00 33.84 C ATOM 4 O MET A 1 1.399 16.961 -0.445 1.00 36.24 O ATOM 5 CB MET A 1 -0.245 20.007 -0.309 1.00 36.09 C ATOM 6 CG MET A 1 -1.623 20.613 -0.342 1.00 37.23 C ATOM 7 SD MET A 1 -1.698 22.138 0.581 1.00 35.39 S ATOM 8 CE MET A 1 -2.514 21.600 2.045 1.00 35.86 C ATOM 9 HA MET A 1 -0.322 18.852 -2.128 1.00 0.00 H ATOM 10 HB2 MET A 1 0.031 19.832 0.731 1.00 0.00 H ATOM 11 HB3 MET A 1 0.455 20.714 -0.755 1.00 0.00 H ATOM 12 HG2 MET A 1 -2.331 19.905 0.088 1.00 0.00 H ATOM 13 HG3 MET A 1 -1.896 20.813 -1.378 1.00 0.00 H ATOM 14 HE1 MET A 1 -3.493 21.197 1.787 1.00 0.00 H ATOM 15 HE2 MET A 1 -1.918 20.826 2.528 1.00 0.00 H ATOM 16 HE3 MET A 1 -2.634 22.444 2.724 1.00 0.00 H ATOM 17 HN3 MET A 1 -1.019 17.567 0.459 1.00 0.00 H ATOM 18 HN2 MET A 1 -1.104 16.837 -1.073 1.00 0.00 H ATOM 19 HN1 MET A 1 -2.123 18.144 -0.697 1.00 0.00 H ATOM 20 N ILE A 2 2.261 18.912 -1.173 1.00 29.64 N ATOM 21 CA ILE A 2 3.640 18.477 -1.006 1.00 26.33 C ATOM 22 C ILE A 2 4.077 18.777 0.432 1.00 27.33 C ATOM 23 O ILE A 2 4.020 19.923 0.873 1.00 25.03 O ATOM 24 CB ILE A 2 4.596 19.217 -1.975 1.00 25.49 C ATOM 25 CG1 ILE A 2 4.220 18.924 -3.427 1.00 23.82 C ATOM 26 CG2 ILE A 2 6.030 18.790 -1.719 1.00 24.71 C ATOM 27 CD1 ILE A 2 3.095 19.778 -3.954 1.00 29.18 C ATOM 28 HA ILE A 2 3.690 17.410 -1.223 1.00 0.00 H ATOM 29 HB ILE A 2 4.504 20.289 -1.799 1.00 0.00 H ATOM 30 HG12 ILE A 2 5.099 19.092 -4.049 1.00 0.00 H ATOM 31 HG13 ILE A 2 3.920 17.879 -3.499 1.00 0.00 H ATOM 32 HD11 ILE A 2 2.202 19.613 -3.351 1.00 0.00 H ATOM 33 HD12 ILE A 2 3.382 20.828 -3.901 1.00 0.00 H ATOM 34 HD13 ILE A 2 2.890 19.508 -4.990 1.00 0.00 H ATOM 35 HG21 ILE A 2 6.302 19.033 -0.692 1.00 0.00 H ATOM 36 HG22 ILE A 2 6.121 17.715 -1.876 1.00 0.00 H ATOM 37 HG23 ILE A 2 6.693 19.317 -2.406 1.00 0.00 H ATOM 38 H ILE A 2 2.067 19.867 -1.537 1.00 0.00 H ATOM 39 N ARG A 3 4.482 17.744 1.169 1.00 25.25 N ATOM 40 CA ARG A 3 4.944 17.934 2.541 1.00 24.37 C ATOM 41 C ARG A 3 6.425 18.252 2.511 1.00 21.71 C ATOM 42 O ARG A 3 7.212 17.512 1.918 1.00 20.97 O ATOM 43 CB ARG A 3 4.720 16.677 3.392 1.00 23.33 C ATOM 44 CG ARG A 3 3.307 16.514 3.926 1.00 26.58 C ATOM 45 CD ARG A 3 3.258 15.480 5.049 1.00 24.53 C ATOM 46 NE ARG A 3 3.635 14.153 4.583 1.00 27.27 N ATOM 47 CZ ARG A 3 2.879 13.402 3.787 1.00 30.16 C ATOM 48 NH1 ARG A 3 1.700 13.853 3.376 1.00 25.98 N ATOM 49 NH2 ARG A 3 3.304 12.205 3.391 1.00 27.95 N ATOM 50 HA ARG A 3 4.376 18.750 2.988 1.00 0.00 H ATOM 51 HB2 ARG A 3 4.954 15.806 2.780 1.00 0.00 H ATOM 52 HB3 ARG A 3 5.402 16.716 4.242 1.00 0.00 H ATOM 53 HG2 ARG A 3 2.958 17.473 4.309 1.00 0.00 H ATOM 54 HG3 ARG A 3 2.655 16.190 3.115 1.00 0.00 H ATOM 55 HD2 ARG A 3 2.244 15.439 5.447 1.00 0.00 H ATOM 56 HD3 ARG A 3 3.945 15.785 5.839 1.00 0.00 H ATOM 57 HE ARG A 3 4.551 13.769 4.891 1.00 0.00 H ATOM 58 HH12 ARG A 3 1.107 13.267 2.754 1.00 0.00 H ATOM 59 HH11 ARG A 3 1.369 14.792 3.676 1.00 0.00 H ATOM 60 HH22 ARG A 3 2.709 11.622 2.769 1.00 0.00 H ATOM 61 HH21 ARG A 3 4.231 11.853 3.704 1.00 0.00 H ATOM 62 H ARG A 3 4.469 16.787 0.761 1.00 0.00 H ATOM 63 N LYS A 4 6.797 19.362 3.135 1.00 20.13 N ATOM 64 CA LYS A 4 8.190 19.771 3.201 1.00 20.44 C ATOM 65 C LYS A 4 8.591 20.006 4.658 1.00 19.15 C ATOM 66 O LYS A 4 7.829 20.588 5.440 1.00 17.05 O ATOM 67 CB LYS A 4 8.423 21.060 2.398 1.00 23.84 C ATOM 68 CG LYS A 4 8.398 20.889 0.884 1.00 25.59 C ATOM 69 CD LYS A 4 8.731 22.199 0.175 1.00 28.56 C ATOM 70 CE LYS A 4 10.207 22.574 0.301 1.00 30.02 C ATOM 71 NZ LYS A 4 11.078 21.703 -0.543 1.00 27.87 N ATOM 72 HA LYS A 4 8.799 18.976 2.771 1.00 0.00 H ATOM 73 HB2 LYS A 4 7.646 21.774 2.671 1.00 0.00 H ATOM 74 HB3 LYS A 4 9.397 21.461 2.677 1.00 0.00 H ATOM 75 HG2 LYS A 4 9.131 20.134 0.599 1.00 0.00 H ATOM 76 HG3 LYS A 4 7.404 20.562 0.579 1.00 0.00 H ATOM 77 HD2 LYS A 4 8.485 22.097 -0.882 1.00 0.00 H ATOM 78 HD3 LYS A 4 8.129 22.996 0.612 1.00 0.00 H ATOM 79 HE2 LYS A 4 10.509 22.471 1.343 1.00 0.00 H ATOM 80 HE3 LYS A 4 10.335 23.610 -0.012 1.00 0.00 H ATOM 81 HZ1 LYS A 4 10.967 20.712 -0.246 1.00 0.00 H ATOM 82 HZ2 LYS A 4 10.801 21.801 -1.541 1.00 0.00 H ATOM 83 HZ3 LYS A 4 12.070 21.992 -0.428 1.00 0.00 H ATOM 84 H LYS A 4 6.073 19.955 3.589 1.00 0.00 H ATOM 85 N ALA A 5 9.777 19.531 5.023 1.00 15.51 N ATOM 86 CA ALA A 5 10.297 19.732 6.370 1.00 12.10 C ATOM 87 C ALA A 5 11.758 20.140 6.254 1.00 14.22 C ATOM 88 O ALA A 5 12.494 19.672 5.373 1.00 11.75 O ATOM 89 CB ALA A 5 10.170 18.459 7.199 1.00 10.00 C ATOM 90 HA ALA A 5 9.723 20.510 6.874 1.00 0.00 H ATOM 91 HB1 ALA A 5 9.120 18.175 7.267 1.00 0.00 H ATOM 92 HB2 ALA A 5 10.734 17.658 6.721 1.00 0.00 H ATOM 93 HB3 ALA A 5 10.565 18.637 8.199 1.00 0.00 H ATOM 94 H ALA A 5 10.348 19.004 4.332 1.00 0.00 H ATOM 95 N PHE A 6 12.173 21.046 7.124 1.00 11.59 N ATOM 96 CA PHE A 6 13.554 21.482 7.124 1.00 12.84 C ATOM 97 C PHE A 6 13.918 21.881 8.531 1.00 10.09 C ATOM 98 O PHE A 6 13.043 22.061 9.382 1.00 12.40 O ATOM 99 CB PHE A 6 13.762 22.658 6.173 1.00 13.67 C ATOM 100 CG PHE A 6 12.770 23.772 6.351 1.00 15.49 C ATOM 101 CD1 PHE A 6 11.470 23.659 5.850 1.00 16.37 C ATOM 102 CD2 PHE A 6 13.140 24.951 6.995 1.00 19.14 C ATOM 103 CE1 PHE A 6 10.561 24.710 5.986 1.00 14.93 C ATOM 104 CE2 PHE A 6 12.234 26.013 7.139 1.00 17.26 C ATOM 105 CZ PHE A 6 10.945 25.892 6.632 1.00 15.62 C ATOM 106 HA PHE A 6 14.192 20.668 6.780 1.00 0.00 H ATOM 107 HB2 PHE A 6 14.762 23.060 6.338 1.00 0.00 H ATOM 108 HB3 PHE A 6 13.684 22.290 5.150 1.00 0.00 H ATOM 109 HD2 PHE A 6 14.150 25.050 7.393 1.00 0.00 H ATOM 110 HE2 PHE A 6 12.539 26.928 7.646 1.00 0.00 H ATOM 111 HZ PHE A 6 10.236 26.714 6.737 1.00 0.00 H ATOM 112 HE1 PHE A 6 9.551 24.611 5.589 1.00 0.00 H ATOM 113 HD1 PHE A 6 11.163 22.741 5.348 1.00 0.00 H ATOM 114 H PHE A 6 11.504 21.447 7.812 1.00 0.00 H ATOM 115 N VAL A 7 15.210 22.024 8.772 1.00 8.89 N ATOM 116 CA VAL A 7 15.699 22.399 10.084 1.00 6.39 C ATOM 117 C VAL A 7 16.611 23.609 9.971 1.00 8.51 C ATOM 118 O VAL A 7 17.415 23.710 9.048 1.00 7.44 O ATOM 119 CB VAL A 7 16.476 21.235 10.720 1.00 7.89 C ATOM 120 CG1 VAL A 7 17.524 20.722 9.737 1.00 9.16 C ATOM 121 CG2 VAL A 7 17.157 21.687 12.014 1.00 6.51 C ATOM 122 HA VAL A 7 14.844 22.643 10.714 1.00 0.00 H ATOM 123 HB VAL A 7 15.776 20.434 10.958 1.00 0.00 H ATOM 124 HG11 VAL A 7 17.030 20.376 8.829 1.00 0.00 H ATOM 125 HG12 VAL A 7 18.215 21.528 9.491 1.00 0.00 H ATOM 126 HG13 VAL A 7 18.073 19.897 10.191 1.00 0.00 H ATOM 127 HG21 VAL A 7 17.851 22.498 11.794 1.00 0.00 H ATOM 128 HG22 VAL A 7 16.401 22.035 12.718 1.00 0.00 H ATOM 129 HG23 VAL A 7 17.702 20.849 12.448 1.00 0.00 H ATOM 130 H VAL A 7 15.891 21.864 8.003 1.00 0.00 H ATOM 131 N MET A 8 16.464 24.534 10.910 1.00 9.14 N ATOM 132 CA MET A 8 17.295 25.727 10.950 1.00 8.26 C ATOM 133 C MET A 8 17.885 25.760 12.354 1.00 6.72 C ATOM 134 O MET A 8 17.621 24.868 13.157 1.00 6.51 O ATOM 135 CB MET A 8 16.436 26.971 10.710 1.00 10.06 C ATOM 136 CG MET A 8 15.621 26.929 9.403 1.00 9.92 C ATOM 137 SD MET A 8 14.392 28.267 9.303 1.00 11.11 S ATOM 138 CE MET A 8 13.222 27.717 10.573 1.00 9.15 C ATOM 139 HA MET A 8 18.070 25.712 10.183 1.00 0.00 H ATOM 140 HB2 MET A 8 15.742 27.074 11.544 1.00 0.00 H ATOM 141 HB3 MET A 8 17.093 27.840 10.676 1.00 0.00 H ATOM 142 HG2 MET A 8 15.102 25.972 9.345 1.00 0.00 H ATOM 143 HG3 MET A 8 16.306 27.020 8.560 1.00 0.00 H ATOM 144 HE1 MET A 8 12.831 26.736 10.305 1.00 0.00 H ATOM 145 HE2 MET A 8 13.733 27.656 11.534 1.00 0.00 H ATOM 146 HE3 MET A 8 12.401 28.430 10.642 1.00 0.00 H ATOM 147 H MET A 8 15.734 24.403 11.639 1.00 0.00 H ATOM 148 N GLN A 9 18.673 26.781 12.659 1.00 7.79 N ATOM 149 CA GLN A 9 19.272 26.908 13.990 1.00 7.76 C ATOM 150 C GLN A 9 18.841 28.232 14.602 1.00 7.15 C ATOM 151 O GLN A 9 18.346 29.106 13.901 1.00 9.66 O ATOM 152 CB GLN A 9 20.798 26.920 13.897 1.00 8.15 C ATOM 153 CG GLN A 9 21.456 25.679 13.378 1.00 9.94 C ATOM 154 CD GLN A 9 22.926 25.915 13.125 1.00 11.09 C ATOM 155 OE1 GLN A 9 23.671 26.266 14.033 1.00 16.96 O ATOM 156 NE2 GLN A 9 23.351 25.740 11.883 1.00 16.67 N ATOM 157 HA GLN A 9 18.945 26.063 14.595 1.00 0.00 H ATOM 158 HB2 GLN A 9 21.081 27.742 13.240 1.00 0.00 H ATOM 159 HB3 GLN A 9 21.188 27.105 14.898 1.00 0.00 H ATOM 160 HG2 GLN A 9 21.343 24.881 14.112 1.00 0.00 H ATOM 161 HG3 GLN A 9 20.976 25.383 12.445 1.00 0.00 H ATOM 162 HE22 GLN A 9 22.685 25.441 11.143 1.00 0.00 H ATOM 163 HE21 GLN A 9 24.351 25.901 11.648 1.00 0.00 H ATOM 164 H GLN A 9 18.870 27.506 11.940 1.00 0.00 H ATOM 165 N VAL A 10 19.045 28.388 15.904 1.00 6.82 N ATOM 166 CA VAL A 10 18.706 29.636 16.578 1.00 9.84 C ATOM 167 C VAL A 10 19.806 29.952 17.587 1.00 5.43 C ATOM 168 O VAL A 10 20.405 29.044 18.152 1.00 9.14 O ATOM 169 CB VAL A 10 17.334 29.551 17.298 1.00 10.17 C ATOM 170 CG1 VAL A 10 17.330 28.422 18.319 1.00 12.09 C ATOM 171 CG2 VAL A 10 17.031 30.887 17.993 1.00 11.25 C ATOM 172 HA VAL A 10 18.628 30.427 15.832 1.00 0.00 H ATOM 173 HB VAL A 10 16.563 29.345 16.555 1.00 0.00 H ATOM 174 HG11 VAL A 10 17.522 27.476 17.813 1.00 0.00 H ATOM 175 HG12 VAL A 10 18.107 28.603 19.062 1.00 0.00 H ATOM 176 HG13 VAL A 10 16.358 28.382 18.811 1.00 0.00 H ATOM 177 HG21 VAL A 10 17.811 31.100 18.724 1.00 0.00 H ATOM 178 HG22 VAL A 10 17.001 31.683 17.249 1.00 0.00 H ATOM 179 HG23 VAL A 10 16.067 30.822 18.497 1.00 0.00 H ATOM 180 H VAL A 10 19.454 27.606 16.454 1.00 0.00 H ATOM 181 N ASN A 11 20.082 31.235 17.796 1.00 6.95 N ATOM 182 CA ASN A 11 21.123 31.640 18.747 1.00 7.85 C ATOM 183 C ASN A 11 20.769 31.106 20.131 1.00 6.12 C ATOM 184 O ASN A 11 19.612 31.106 20.527 1.00 6.39 O ATOM 185 CB ASN A 11 21.263 33.168 18.757 1.00 7.12 C ATOM 186 CG ASN A 11 21.945 33.698 17.496 1.00 8.93 C ATOM 187 OD1 ASN A 11 22.060 34.907 17.290 1.00 9.45 O ATOM 188 ND2 ASN A 11 22.407 32.788 16.653 1.00 2.67 N ATOM 189 HA ASN A 11 22.084 31.222 18.447 1.00 0.00 H ATOM 190 HB2 ASN A 11 20.270 33.611 18.831 1.00 0.00 H ATOM 191 HB3 ASN A 11 21.855 33.460 19.625 1.00 0.00 H ATOM 192 HD22 ASN A 11 22.290 31.776 16.864 1.00 0.00 H ATOM 193 HD21 ASN A 11 22.887 33.085 15.780 1.00 0.00 H ATOM 194 H ASN A 11 19.552 31.964 17.277 1.00 0.00 H ATOM 195 N PRO A 12 21.764 30.641 20.890 1.00 7.22 N ATOM 196 CA PRO A 12 21.432 30.112 22.216 1.00 4.88 C ATOM 197 C PRO A 12 20.760 31.094 23.170 1.00 2.12 C ATOM 198 O PRO A 12 19.963 30.690 24.001 1.00 5.02 O ATOM 199 CB PRO A 12 22.783 29.629 22.729 1.00 3.36 C ATOM 200 CG PRO A 12 23.722 30.635 22.143 1.00 8.79 C ATOM 201 CD PRO A 12 23.226 30.743 20.718 1.00 5.06 C ATOM 202 HA PRO A 12 20.671 29.334 22.151 1.00 0.00 H ATOM 203 HD3 PRO A 12 23.507 31.697 20.273 1.00 0.00 H ATOM 204 HD2 PRO A 12 23.610 29.929 20.103 1.00 0.00 H ATOM 205 HG3 PRO A 12 24.752 30.281 22.177 1.00 0.00 H ATOM 206 HG2 PRO A 12 23.650 31.592 22.660 1.00 0.00 H ATOM 207 HB2 PRO A 12 22.820 29.641 23.818 1.00 0.00 H ATOM 208 HB3 PRO A 12 23.006 28.624 22.370 1.00 0.00 H ATOM 209 N ASP A 13 21.067 32.380 23.033 1.00 2.74 N ATOM 210 CA ASP A 13 20.505 33.411 23.917 1.00 8.33 C ATOM 211 C ASP A 13 19.261 34.099 23.334 1.00 6.34 C ATOM 212 O ASP A 13 18.809 35.124 23.851 1.00 6.42 O ATOM 213 CB ASP A 13 21.584 34.479 24.203 1.00 6.88 C ATOM 214 CG ASP A 13 21.969 35.278 22.945 1.00 11.79 C ATOM 215 OD1 ASP A 13 21.886 34.720 21.827 1.00 6.43 O ATOM 216 OD2 ASP A 13 22.354 36.464 23.070 1.00 10.44 O ATOM 217 HA ASP A 13 20.193 32.908 24.832 1.00 0.00 H ATOM 218 HB2 ASP A 13 21.202 35.171 24.954 1.00 0.00 H ATOM 219 HB3 ASP A 13 22.474 33.982 24.588 1.00 0.00 H ATOM 220 H ASP A 13 21.724 32.665 22.279 1.00 0.00 H ATOM 221 N ALA A 14 18.690 33.538 22.274 1.00 8.57 N ATOM 222 CA ALA A 14 17.539 34.176 21.657 1.00 10.54 C ATOM 223 C ALA A 14 16.301 33.304 21.548 1.00 9.37 C ATOM 224 O ALA A 14 15.476 33.547 20.684 1.00 11.76 O ATOM 225 CB ALA A 14 17.938 34.703 20.268 1.00 10.41 C ATOM 226 HA ALA A 14 17.253 34.989 22.324 1.00 0.00 H ATOM 227 HB1 ALA A 14 18.746 35.427 20.374 1.00 0.00 H ATOM 228 HB2 ALA A 14 18.273 33.872 19.648 1.00 0.00 H ATOM 229 HB3 ALA A 14 17.077 35.182 19.802 1.00 0.00 H ATOM 230 H ALA A 14 19.064 32.648 21.888 1.00 0.00 H ATOM 231 N HIS A 15 16.172 32.293 22.412 1.00 9.64 N ATOM 232 CA HIS A 15 15.017 31.391 22.382 1.00 4.47 C ATOM 233 C HIS A 15 13.713 32.138 22.619 1.00 7.47 C ATOM 234 O HIS A 15 12.748 31.968 21.863 1.00 5.50 O ATOM 235 CB HIS A 15 15.146 30.288 23.441 1.00 11.19 C ATOM 236 CG HIS A 15 16.141 29.221 23.100 1.00 8.43 C ATOM 237 ND1 HIS A 15 17.146 29.402 22.177 1.00 5.86 N ATOM 238 CD2 HIS A 15 16.343 27.997 23.641 1.00 8.44 C ATOM 239 CE1 HIS A 15 17.935 28.342 22.171 1.00 2.49 C ATOM 240 NE2 HIS A 15 17.472 27.477 23.053 1.00 9.69 N ATOM 241 HA HIS A 15 15.000 30.946 21.387 1.00 0.00 H ATOM 242 HB2 HIS A 15 15.449 30.750 24.381 1.00 0.00 H ATOM 243 HB3 HIS A 15 14.170 29.818 23.566 1.00 0.00 H ATOM 244 HD2 HIS A 15 15.727 27.514 24.400 1.00 0.00 H ATOM 245 HE1 HIS A 15 18.817 28.206 21.545 1.00 0.00 H ATOM 246 H HIS A 15 16.912 32.142 23.126 1.00 0.00 H ATOM 247 N GLU A 16 13.669 32.945 23.678 1.00 4.97 N ATOM 248 CA GLU A 16 12.464 33.714 23.965 1.00 7.67 C ATOM 249 C GLU A 16 12.169 34.733 22.856 1.00 5.15 C ATOM 250 O GLU A 16 11.032 34.829 22.388 1.00 4.44 O ATOM 251 CB GLU A 16 12.580 34.462 25.295 1.00 9.07 C ATOM 252 CG GLU A 16 11.320 35.247 25.650 1.00 10.55 C ATOM 253 CD GLU A 16 11.488 36.156 26.862 1.00 16.08 C ATOM 254 OE1 GLU A 16 12.413 35.919 27.671 1.00 8.85 O ATOM 255 OE2 GLU A 16 10.676 37.102 27.008 1.00 12.81 O ATOM 256 HA GLU A 16 11.647 32.995 24.023 1.00 0.00 H ATOM 257 HB2 GLU A 16 12.772 33.737 26.086 1.00 0.00 H ATOM 258 HB3 GLU A 16 13.416 35.158 25.231 1.00 0.00 H ATOM 259 HG2 GLU A 16 11.044 35.862 24.793 1.00 0.00 H ATOM 260 HG3 GLU A 16 10.519 34.538 25.859 1.00 0.00 H ATOM 261 H GLU A 16 14.497 33.027 24.302 1.00 0.00 H ATOM 262 N GLU A 17 13.182 35.489 22.438 1.00 7.11 N ATOM 263 CA GLU A 17 12.976 36.501 21.394 1.00 10.51 C ATOM 264 C GLU A 17 12.552 35.893 20.065 1.00 10.46 C ATOM 265 O GLU A 17 11.721 36.462 19.358 1.00 12.63 O ATOM 266 CB GLU A 17 14.232 37.338 21.176 1.00 9.06 C ATOM 267 CG GLU A 17 14.107 38.310 19.983 1.00 12.18 C ATOM 268 CD GLU A 17 13.160 39.484 20.246 1.00 16.56 C ATOM 269 OE1 GLU A 17 12.859 40.247 19.289 1.00 15.09 O ATOM 270 OE2 GLU A 17 12.726 39.650 21.408 1.00 14.14 O ATOM 271 HA GLU A 17 12.168 37.138 21.754 1.00 0.00 H ATOM 272 HB2 GLU A 17 14.425 37.918 22.079 1.00 0.00 H ATOM 273 HB3 GLU A 17 15.070 36.666 20.991 1.00 0.00 H ATOM 274 HG2 GLU A 17 15.096 38.709 19.758 1.00 0.00 H ATOM 275 HG3 GLU A 17 13.736 37.754 19.122 1.00 0.00 H ATOM 276 H GLU A 17 14.127 35.362 22.854 1.00 0.00 H ATOM 277 N TYR A 18 13.111 34.739 19.721 1.00 11.80 N ATOM 278 CA TYR A 18 12.741 34.105 18.463 1.00 11.37 C ATOM 279 C TYR A 18 11.264 33.760 18.500 1.00 8.00 C ATOM 280 O TYR A 18 10.538 34.045 17.556 1.00 8.16 O ATOM 281 CB TYR A 18 13.571 32.841 18.202 1.00 9.88 C ATOM 282 CG TYR A 18 13.195 32.120 16.911 1.00 12.94 C ATOM 283 CD1 TYR A 18 12.208 31.131 16.902 1.00 10.63 C ATOM 284 CD2 TYR A 18 13.786 32.466 15.694 1.00 9.70 C ATOM 285 CE1 TYR A 18 11.814 30.504 15.716 1.00 12.56 C ATOM 286 CE2 TYR A 18 13.401 31.847 14.495 1.00 10.18 C ATOM 287 CZ TYR A 18 12.410 30.866 14.512 1.00 14.59 C ATOM 288 OH TYR A 18 12.001 30.265 13.326 1.00 9.64 O ATOM 289 HA TYR A 18 12.943 34.802 17.650 1.00 0.00 H ATOM 290 HB3 TYR A 18 13.425 32.154 19.036 1.00 0.00 H ATOM 291 HB2 TYR A 18 14.622 33.124 18.146 1.00 0.00 H ATOM 292 HD2 TYR A 18 14.561 33.232 15.675 1.00 0.00 H ATOM 293 HE2 TYR A 18 13.874 32.131 13.555 1.00 0.00 H ATOM 294 HE1 TYR A 18 11.043 29.734 15.735 1.00 0.00 H ATOM 295 HD1 TYR A 18 11.735 30.842 17.840 1.00 0.00 H ATOM 296 HH TYR A 18 11.642 30.956 12.714 1.00 0.00 H ATOM 297 H TYR A 18 13.810 34.290 20.347 1.00 0.00 H ATOM 298 N GLN A 19 10.813 33.158 19.596 1.00 8.28 N ATOM 299 CA GLN A 19 9.408 32.785 19.719 1.00 12.65 C ATOM 300 C GLN A 19 8.459 33.991 19.719 1.00 10.00 C ATOM 301 O GLN A 19 7.411 33.971 19.071 1.00 12.06 O ATOM 302 CB GLN A 19 9.181 31.967 20.987 1.00 11.55 C ATOM 303 CG GLN A 19 7.807 31.339 21.050 1.00 17.40 C ATOM 304 CD GLN A 19 7.562 30.642 22.366 1.00 22.73 C ATOM 305 OE1 GLN A 19 8.493 30.116 22.983 1.00 25.44 O ATOM 306 NE2 GLN A 19 6.306 30.620 22.803 1.00 23.97 N ATOM 307 HA GLN A 19 9.177 32.188 18.837 1.00 0.00 H ATOM 308 HB2 GLN A 19 9.927 31.174 21.027 1.00 0.00 H ATOM 309 HB3 GLN A 19 9.303 32.622 21.849 1.00 0.00 H ATOM 310 HG2 GLN A 19 7.057 32.119 20.920 1.00 0.00 H ATOM 311 HG3 GLN A 19 7.715 30.611 20.244 1.00 0.00 H ATOM 312 HE22 GLN A 19 5.554 31.077 22.248 1.00 0.00 H ATOM 313 HE21 GLN A 19 6.076 30.146 23.699 1.00 0.00 H ATOM 314 H GLN A 19 11.470 32.950 20.375 1.00 0.00 H ATOM 315 N ARG A 20 8.814 35.029 20.460 1.00 9.79 N ATOM 316 CA ARG A 20 7.993 36.230 20.522 1.00 13.77 C ATOM 317 C ARG A 20 7.802 36.852 19.125 1.00 15.21 C ATOM 318 O ARG A 20 6.724 37.359 18.812 1.00 13.99 O ATOM 319 CB ARG A 20 8.636 37.262 21.460 1.00 13.49 C ATOM 320 CG ARG A 20 7.818 38.549 21.603 1.00 17.16 C ATOM 321 CD ARG A 20 6.490 38.307 22.346 1.00 21.31 C ATOM 322 NE ARG A 20 5.639 39.497 22.344 1.00 23.55 N ATOM 323 CZ ARG A 20 4.923 39.903 21.297 1.00 25.89 C ATOM 324 NH1 ARG A 20 4.943 39.211 20.165 1.00 29.09 N ATOM 325 NH2 ARG A 20 4.203 41.016 21.369 1.00 28.15 N ATOM 326 HA ARG A 20 7.014 35.944 20.908 1.00 0.00 H ATOM 327 HB2 ARG A 20 8.746 36.811 22.446 1.00 0.00 H ATOM 328 HB3 ARG A 20 9.620 37.520 21.068 1.00 0.00 H ATOM 329 HG2 ARG A 20 8.405 39.280 22.159 1.00 0.00 H ATOM 330 HG3 ARG A 20 7.600 38.940 20.609 1.00 0.00 H ATOM 331 HD2 ARG A 20 6.708 38.031 23.378 1.00 0.00 H ATOM 332 HD3 ARG A 20 5.957 37.491 21.858 1.00 0.00 H ATOM 333 HE ARG A 20 5.590 40.062 23.216 1.00 0.00 H ATOM 334 HH12 ARG A 20 4.382 39.531 19.350 1.00 0.00 H ATOM 335 HH11 ARG A 20 5.519 38.348 20.093 1.00 0.00 H ATOM 336 HH22 ARG A 20 3.646 41.329 20.549 1.00 0.00 H ATOM 337 HH21 ARG A 20 4.196 41.575 22.246 1.00 0.00 H ATOM 338 H ARG A 20 9.697 34.986 21.009 1.00 0.00 H ATOM 339 N ARG A 21 8.839 36.801 18.292 1.00 13.35 N ATOM 340 CA ARG A 21 8.764 37.380 16.952 1.00 15.13 C ATOM 341 C ARG A 21 7.786 36.646 16.039 1.00 15.02 C ATOM 342 O ARG A 21 7.401 37.165 14.997 1.00 16.23 O ATOM 343 CB ARG A 21 10.153 37.415 16.300 1.00 15.74 C ATOM 344 CG ARG A 21 11.164 38.320 17.012 1.00 12.79 C ATOM 345 CD ARG A 21 12.453 38.436 16.214 1.00 10.83 C ATOM 346 NE ARG A 21 13.416 39.363 16.812 1.00 7.11 N ATOM 347 CZ ARG A 21 14.547 39.739 16.217 1.00 12.13 C ATOM 348 NH1 ARG A 21 14.841 39.264 15.007 1.00 5.24 N ATOM 349 NH2 ARG A 21 15.386 40.584 16.826 1.00 5.41 N ATOM 350 HA ARG A 21 8.389 38.396 17.078 1.00 0.00 H ATOM 351 HB2 ARG A 21 10.551 36.400 16.290 1.00 0.00 H ATOM 352 HB3 ARG A 21 10.040 37.769 15.275 1.00 0.00 H ATOM 353 HG2 ARG A 21 10.730 39.312 17.134 1.00 0.00 H ATOM 354 HG3 ARG A 21 11.389 37.901 17.993 1.00 0.00 H ATOM 355 HD2 ARG A 21 12.210 38.787 15.211 1.00 0.00 H ATOM 356 HD3 ARG A 21 12.913 37.450 16.152 1.00 0.00 H ATOM 357 HE ARG A 21 13.205 39.750 17.754 1.00 0.00 H ATOM 358 HH12 ARG A 21 15.722 39.552 14.535 1.00 0.00 H ATOM 359 HH11 ARG A 21 14.190 38.605 14.535 1.00 0.00 H ATOM 360 HH22 ARG A 21 16.267 40.872 16.354 1.00 0.00 H ATOM 361 HH21 ARG A 21 15.158 40.953 17.771 1.00 0.00 H ATOM 362 H ARG A 21 9.719 36.341 18.600 1.00 0.00 H ATOM 363 N HIS A 22 7.371 35.443 16.423 1.00 13.96 N ATOM 364 CA HIS A 22 6.433 34.699 15.587 1.00 15.77 C ATOM 365 C HIS A 22 5.016 34.689 16.141 1.00 14.74 C ATOM 366 O HIS A 22 4.157 33.951 15.658 1.00 14.23 O ATOM 367 CB HIS A 22 6.915 33.261 15.386 1.00 13.22 C ATOM 368 CG HIS A 22 8.177 33.157 14.590 1.00 13.69 C ATOM 369 ND1 HIS A 22 9.394 33.598 15.064 1.00 15.28 N ATOM 370 CD2 HIS A 22 8.404 32.708 13.333 1.00 12.88 C ATOM 371 CE1 HIS A 22 10.315 33.427 14.133 1.00 16.29 C ATOM 372 NE2 HIS A 22 9.740 32.889 13.073 1.00 14.17 N ATOM 373 HA HIS A 22 6.402 35.219 14.629 1.00 0.00 H ATOM 374 HB2 HIS A 22 7.088 32.815 16.366 1.00 0.00 H ATOM 375 HB3 HIS A 22 6.134 32.705 14.868 1.00 0.00 H ATOM 376 HD2 HIS A 22 7.665 32.283 12.655 1.00 0.00 H ATOM 377 HE1 HIS A 22 11.370 33.686 14.224 1.00 0.00 H ATOM 378 H HIS A 22 7.713 35.033 17.316 1.00 0.00 H ATOM 379 N ASN A 23 4.766 35.515 17.147 1.00 15.86 N ATOM 380 CA ASN A 23 3.447 35.573 17.746 1.00 17.24 C ATOM 381 C ASN A 23 2.983 37.005 17.980 1.00 20.50 C ATOM 382 O ASN A 23 3.014 37.517 19.099 1.00 23.33 O ATOM 383 CB ASN A 23 3.456 34.767 19.037 1.00 17.46 C ATOM 384 CG ASN A 23 3.687 33.290 18.783 1.00 16.96 C ATOM 385 OD1 ASN A 23 2.761 32.566 18.419 1.00 19.89 O ATOM 386 ND2 ASN A 23 4.930 32.841 18.943 1.00 17.73 N ATOM 387 HA ASN A 23 2.728 35.137 17.053 1.00 0.00 H ATOM 388 HB2 ASN A 23 4.251 35.142 19.681 1.00 0.00 H ATOM 389 HB3 ASN A 23 2.496 34.892 19.537 1.00 0.00 H ATOM 390 HD22 ASN A 23 5.681 33.490 19.253 1.00 0.00 H ATOM 391 HD21 ASN A 23 5.150 31.841 18.758 1.00 0.00 H ATOM 392 H ASN A 23 5.524 36.128 17.510 1.00 0.00 H ATOM 393 N PRO A 24 2.525 37.666 16.906 1.00 22.12 N ATOM 394 CA PRO A 24 2.455 37.084 15.562 1.00 21.63 C ATOM 395 C PRO A 24 3.569 37.579 14.629 1.00 20.42 C ATOM 396 O PRO A 24 4.295 38.522 14.958 1.00 18.65 O ATOM 397 CB PRO A 24 1.088 37.541 15.092 1.00 25.35 C ATOM 398 CG PRO A 24 1.082 38.960 15.588 1.00 23.10 C ATOM 399 CD PRO A 24 1.656 38.853 16.995 1.00 23.30 C ATOM 400 HA PRO A 24 2.591 36.003 15.563 1.00 0.00 H ATOM 401 HD3 PRO A 24 2.231 39.742 17.253 1.00 0.00 H ATOM 402 HD2 PRO A 24 0.866 38.707 17.731 1.00 0.00 H ATOM 403 HG3 PRO A 24 0.068 39.360 15.611 1.00 0.00 H ATOM 404 HG2 PRO A 24 1.707 39.594 14.960 1.00 0.00 H ATOM 405 HB2 PRO A 24 1.000 37.494 14.007 1.00 0.00 H ATOM 406 HB3 PRO A 24 0.290 36.953 15.546 1.00 0.00 H ATOM 407 N ILE A 25 3.709 36.938 13.470 1.00 17.08 N ATOM 408 CA ILE A 25 4.704 37.373 12.494 1.00 16.75 C ATOM 409 C ILE A 25 4.081 38.595 11.813 1.00 15.23 C ATOM 410 O ILE A 25 2.901 38.889 12.037 1.00 14.53 O ATOM 411 CB ILE A 25 4.992 36.281 11.425 1.00 18.13 C ATOM 412 CG1 ILE A 25 3.693 35.833 10.761 1.00 15.98 C ATOM 413 CG2 ILE A 25 5.674 35.077 12.062 1.00 20.67 C ATOM 414 CD1 ILE A 25 3.917 34.949 9.550 1.00 17.06 C ATOM 415 HA ILE A 25 5.655 37.586 12.982 1.00 0.00 H ATOM 416 HB ILE A 25 5.653 36.710 10.672 1.00 0.00 H ATOM 417 HG12 ILE A 25 3.103 35.279 11.491 1.00 0.00 H ATOM 418 HG13 ILE A 25 3.141 36.719 10.447 1.00 0.00 H ATOM 419 HD11 ILE A 25 4.497 35.495 8.806 1.00 0.00 H ATOM 420 HD12 ILE A 25 4.460 34.053 9.851 1.00 0.00 H ATOM 421 HD13 ILE A 25 2.954 34.666 9.125 1.00 0.00 H ATOM 422 HG21 ILE A 25 6.616 35.390 12.511 1.00 0.00 H ATOM 423 HG22 ILE A 25 5.025 34.658 12.831 1.00 0.00 H ATOM 424 HG23 ILE A 25 5.867 34.324 11.298 1.00 0.00 H ATOM 425 H ILE A 25 3.104 36.119 13.258 1.00 0.00 H ATOM 426 N TRP A 26 4.852 39.325 11.013 1.00 14.61 N ATOM 427 CA TRP A 26 4.291 40.498 10.341 1.00 14.80 C ATOM 428 C TRP A 26 3.105 40.090 9.480 1.00 16.16 C ATOM 429 O TRP A 26 3.160 39.070 8.779 1.00 16.46 O ATOM 430 CB TRP A 26 5.321 41.172 9.434 1.00 14.67 C ATOM 431 CG TRP A 26 6.573 41.626 10.098 1.00 11.95 C ATOM 432 CD1 TRP A 26 6.753 41.934 11.419 1.00 12.13 C ATOM 433 CD2 TRP A 26 7.826 41.871 9.452 1.00 11.09 C ATOM 434 NE1 TRP A 26 8.045 42.352 11.629 1.00 10.36 N ATOM 435 CE2 TRP A 26 8.723 42.324 10.438 1.00 9.98 C ATOM 436 CE3 TRP A 26 8.277 41.753 8.127 1.00 9.10 C ATOM 437 CZ2 TRP A 26 10.050 42.661 10.143 1.00 12.86 C ATOM 438 CZ3 TRP A 26 9.600 42.089 7.836 1.00 13.93 C ATOM 439 CH2 TRP A 26 10.467 42.537 8.839 1.00 11.03 C ATOM 440 HA TRP A 26 3.983 41.197 11.119 1.00 0.00 H ATOM 441 HB2 TRP A 26 5.595 40.462 8.654 1.00 0.00 H ATOM 442 HB3 TRP A 26 4.848 42.043 8.981 1.00 0.00 H ATOM 443 HE1 TRP A 26 8.444 42.643 12.544 1.00 0.00 H ATOM 444 HD1 TRP A 26 5.986 41.859 12.190 1.00 0.00 H ATOM 445 HZ2 TRP A 26 10.729 43.010 10.921 1.00 0.00 H ATOM 446 HH2 TRP A 26 11.495 42.793 8.581 1.00 0.00 H ATOM 447 HZ3 TRP A 26 9.963 42.001 6.812 1.00 0.00 H ATOM 448 HE3 TRP A 26 7.606 41.406 7.341 1.00 0.00 H ATOM 449 H TRP A 26 5.848 39.064 10.866 1.00 0.00 H ATOM 450 N PRO A 27 2.011 40.876 9.517 1.00 18.03 N ATOM 451 CA PRO A 27 0.826 40.556 8.710 1.00 15.85 C ATOM 452 C PRO A 27 1.125 40.514 7.210 1.00 16.55 C ATOM 453 O PRO A 27 0.529 39.733 6.477 1.00 13.94 O ATOM 454 CB PRO A 27 -0.155 41.669 9.074 1.00 18.25 C ATOM 455 CG PRO A 27 0.195 41.972 10.493 1.00 19.08 C ATOM 456 CD PRO A 27 1.717 41.973 10.460 1.00 17.90 C ATOM 457 HA PRO A 27 0.436 39.560 8.919 1.00 0.00 H ATOM 458 HD3 PRO A 27 2.104 42.924 10.093 1.00 0.00 H ATOM 459 HD2 PRO A 27 2.134 41.769 11.446 1.00 0.00 H ATOM 460 HG3 PRO A 27 -0.185 41.203 11.166 1.00 0.00 H ATOM 461 HG2 PRO A 27 -0.194 42.944 10.797 1.00 0.00 H ATOM 462 HB2 PRO A 27 -0.010 42.543 8.439 1.00 0.00 H ATOM 463 HB3 PRO A 27 -1.186 41.326 8.989 1.00 0.00 H ATOM 464 N GLU A 28 2.048 41.343 6.741 1.00 17.55 N ATOM 465 CA GLU A 28 2.349 41.311 5.316 1.00 18.93 C ATOM 466 C GLU A 28 3.153 40.065 4.942 1.00 17.67 C ATOM 467 O GLU A 28 3.119 39.632 3.793 1.00 15.13 O ATOM 468 CB GLU A 28 3.072 42.580 4.856 1.00 18.20 C ATOM 469 CG GLU A 28 4.456 42.813 5.406 1.00 26.17 C ATOM 470 CD GLU A 28 5.191 43.928 4.652 1.00 29.73 C ATOM 471 OE1 GLU A 28 6.118 44.534 5.239 1.00 24.94 O ATOM 472 OE2 GLU A 28 4.844 44.188 3.467 1.00 31.32 O ATOM 473 HA GLU A 28 1.394 41.268 4.793 1.00 0.00 H ATOM 474 HB2 GLU A 28 3.152 42.539 3.770 1.00 0.00 H ATOM 475 HB3 GLU A 28 2.456 43.432 5.142 1.00 0.00 H ATOM 476 HG2 GLU A 28 4.376 43.091 6.457 1.00 0.00 H ATOM 477 HG3 GLU A 28 5.030 41.891 5.319 1.00 0.00 H ATOM 478 H GLU A 28 2.545 42.000 7.375 1.00 0.00 H ATOM 479 N LEU A 29 3.869 39.483 5.905 1.00 16.77 N ATOM 480 CA LEU A 29 4.616 38.264 5.622 1.00 17.00 C ATOM 481 C LEU A 29 3.613 37.111 5.593 1.00 16.19 C ATOM 482 O LEU A 29 3.699 36.229 4.742 1.00 17.45 O ATOM 483 CB LEU A 29 5.692 37.990 6.681 1.00 17.53 C ATOM 484 CG LEU A 29 6.463 36.671 6.469 1.00 20.19 C ATOM 485 CD1 LEU A 29 7.230 36.709 5.146 1.00 14.03 C ATOM 486 CD2 LEU A 29 7.417 36.431 7.625 1.00 19.14 C ATOM 487 HA LEU A 29 5.132 38.370 4.668 1.00 0.00 H ATOM 488 HB2 LEU A 29 6.408 38.812 6.663 1.00 0.00 H ATOM 489 HB3 LEU A 29 5.210 37.952 7.658 1.00 0.00 H ATOM 490 HG LEU A 29 5.747 35.850 6.430 1.00 0.00 H ATOM 491 HD21 LEU A 29 8.128 37.255 7.685 1.00 0.00 H ATOM 492 HD22 LEU A 29 6.851 36.369 8.555 1.00 0.00 H ATOM 493 HD23 LEU A 29 7.955 35.497 7.463 1.00 0.00 H ATOM 494 HD11 LEU A 29 6.527 36.847 4.324 1.00 0.00 H ATOM 495 HD12 LEU A 29 7.939 37.537 5.162 1.00 0.00 H ATOM 496 HD13 LEU A 29 7.768 35.771 5.012 1.00 0.00 H ATOM 497 H LEU A 29 3.894 39.899 6.858 1.00 0.00 H ATOM 498 N GLU A 30 2.652 37.123 6.510 1.00 13.93 N ATOM 499 CA GLU A 30 1.645 36.065 6.544 1.00 14.46 C ATOM 500 C GLU A 30 0.896 36.041 5.206 1.00 14.35 C ATOM 501 O GLU A 30 0.697 34.976 4.602 1.00 10.65 O ATOM 502 CB GLU A 30 0.660 36.302 7.687 1.00 17.06 C ATOM 503 CG GLU A 30 -0.346 35.182 7.886 1.00 16.84 C ATOM 504 CD GLU A 30 -1.287 35.431 9.056 1.00 21.66 C ATOM 505 OE1 GLU A 30 -0.802 35.743 10.166 1.00 21.63 O ATOM 506 OE2 GLU A 30 -2.517 35.303 8.878 1.00 22.86 O ATOM 507 HA GLU A 30 2.138 35.107 6.708 1.00 0.00 H ATOM 508 HB2 GLU A 30 1.229 36.419 8.610 1.00 0.00 H ATOM 509 HB3 GLU A 30 0.112 37.221 7.481 1.00 0.00 H ATOM 510 HG2 GLU A 30 -0.940 35.082 6.977 1.00 0.00 H ATOM 511 HG3 GLU A 30 0.197 34.255 8.068 1.00 0.00 H ATOM 512 H GLU A 30 2.616 37.892 7.209 1.00 0.00 H ATOM 513 N ALA A 31 0.506 37.226 4.743 1.00 12.27 N ATOM 514 CA ALA A 31 -0.205 37.377 3.483 1.00 13.42 C ATOM 515 C ALA A 31 0.617 36.777 2.355 1.00 16.62 C ATOM 516 O ALA A 31 0.092 36.030 1.524 1.00 14.66 O ATOM 517 CB ALA A 31 -0.468 38.845 3.205 1.00 15.39 C ATOM 518 HA ALA A 31 -1.159 36.855 3.549 1.00 0.00 H ATOM 519 HB1 ALA A 31 -1.073 39.263 4.010 1.00 0.00 H ATOM 520 HB2 ALA A 31 0.481 39.378 3.147 1.00 0.00 H ATOM 521 HB3 ALA A 31 -1.001 38.945 2.259 1.00 0.00 H ATOM 522 H ALA A 31 0.718 38.076 5.303 1.00 0.00 H ATOM 523 N VAL A 32 1.909 37.105 2.321 1.00 17.43 N ATOM 524 CA VAL A 32 2.779 36.586 1.273 1.00 18.42 C ATOM 525 C VAL A 32 2.952 35.072 1.349 1.00 17.37 C ATOM 526 O VAL A 32 2.925 34.402 0.317 1.00 17.03 O ATOM 527 CB VAL A 32 4.166 37.263 1.289 1.00 20.01 C ATOM 528 CG1 VAL A 32 5.136 36.478 0.423 1.00 20.33 C ATOM 529 CG2 VAL A 32 4.049 38.691 0.751 1.00 19.55 C ATOM 530 HA VAL A 32 2.279 36.824 0.334 1.00 0.00 H ATOM 531 HB VAL A 32 4.536 37.288 2.314 1.00 0.00 H ATOM 532 HG11 VAL A 32 5.227 35.463 0.810 1.00 0.00 H ATOM 533 HG12 VAL A 32 4.763 36.446 -0.601 1.00 0.00 H ATOM 534 HG13 VAL A 32 6.112 36.964 0.441 1.00 0.00 H ATOM 535 HG21 VAL A 32 3.672 38.663 -0.271 1.00 0.00 H ATOM 536 HG22 VAL A 32 3.362 39.259 1.378 1.00 0.00 H ATOM 537 HG23 VAL A 32 5.031 39.165 0.764 1.00 0.00 H ATOM 538 H VAL A 32 2.300 37.737 3.049 1.00 0.00 H ATOM 539 N LEU A 33 3.119 34.528 2.557 1.00 14.16 N ATOM 540 CA LEU A 33 3.262 33.078 2.718 1.00 15.66 C ATOM 541 C LEU A 33 2.014 32.350 2.213 1.00 16.12 C ATOM 542 O LEU A 33 2.110 31.327 1.535 1.00 15.99 O ATOM 543 CB LEU A 33 3.475 32.706 4.193 1.00 13.18 C ATOM 544 CG LEU A 33 4.845 33.006 4.797 1.00 17.18 C ATOM 545 CD1 LEU A 33 4.823 32.752 6.297 1.00 10.32 C ATOM 546 CD2 LEU A 33 5.882 32.143 4.105 1.00 18.90 C ATOM 547 HA LEU A 33 4.131 32.774 2.134 1.00 0.00 H ATOM 548 HB2 LEU A 33 2.732 33.248 4.779 1.00 0.00 H ATOM 549 HB3 LEU A 33 3.301 31.634 4.290 1.00 0.00 H ATOM 550 HG LEU A 33 5.101 34.055 4.646 1.00 0.00 H ATOM 551 HD21 LEU A 33 5.635 31.092 4.252 1.00 0.00 H ATOM 552 HD22 LEU A 33 5.889 32.370 3.039 1.00 0.00 H ATOM 553 HD23 LEU A 33 6.865 32.349 4.528 1.00 0.00 H ATOM 554 HD11 LEU A 33 4.078 33.397 6.762 1.00 0.00 H ATOM 555 HD12 LEU A 33 4.570 31.708 6.484 1.00 0.00 H ATOM 556 HD13 LEU A 33 5.806 32.970 6.716 1.00 0.00 H ATOM 557 H LEU A 33 3.148 35.142 3.396 1.00 0.00 H ATOM 558 N LYS A 34 0.846 32.875 2.565 1.00 16.93 N ATOM 559 CA LYS A 34 -0.411 32.268 2.149 1.00 17.29 C ATOM 560 C LYS A 34 -0.608 32.433 0.641 1.00 16.76 C ATOM 561 O LYS A 34 -1.030 31.502 -0.029 1.00 16.95 O ATOM 562 CB LYS A 34 -1.590 32.896 2.907 1.00 17.70 C ATOM 563 CG LYS A 34 -1.567 32.677 4.417 1.00 16.17 C ATOM 564 CD LYS A 34 -1.633 31.186 4.789 1.00 16.60 C ATOM 565 CE LYS A 34 -2.927 30.539 4.301 1.00 15.93 C ATOM 566 NZ LYS A 34 -2.983 29.066 4.492 1.00 10.55 N ATOM 567 HA LYS A 34 -0.373 31.204 2.384 1.00 0.00 H ATOM 568 HB2 LYS A 34 -1.581 33.970 2.719 1.00 0.00 H ATOM 569 HB3 LYS A 34 -2.513 32.467 2.516 1.00 0.00 H ATOM 570 HG2 LYS A 34 -0.646 33.099 4.819 1.00 0.00 H ATOM 571 HG3 LYS A 34 -2.423 33.188 4.859 1.00 0.00 H ATOM 572 HD2 LYS A 34 -0.787 30.670 4.335 1.00 0.00 H ATOM 573 HD3 LYS A 34 -1.576 31.089 5.873 1.00 0.00 H ATOM 574 HE2 LYS A 34 -3.035 30.750 3.237 1.00 0.00 H ATOM 575 HE3 LYS A 34 -3.759 30.986 4.845 1.00 0.00 H ATOM 576 HZ1 LYS A 34 -2.203 28.620 3.969 1.00 0.00 H ATOM 577 HZ2 LYS A 34 -2.894 28.845 5.504 1.00 0.00 H ATOM 578 HZ3 LYS A 34 -3.891 28.706 4.136 1.00 0.00 H ATOM 579 H LYS A 34 0.829 33.736 3.149 1.00 0.00 H ATOM 580 N SER A 35 -0.303 33.616 0.111 1.00 16.97 N ATOM 581 CA SER A 35 -0.447 33.854 -1.321 1.00 16.63 C ATOM 582 C SER A 35 0.414 32.886 -2.117 1.00 19.19 C ATOM 583 O SER A 35 0.020 32.433 -3.198 1.00 19.06 O ATOM 584 CB SER A 35 -0.049 35.288 -1.686 1.00 17.49 C ATOM 585 OG SER A 35 -1.050 36.202 -1.277 1.00 22.72 O ATOM 586 HA SER A 35 -1.497 33.700 -1.571 1.00 0.00 H ATOM 587 HB2 SER A 35 0.083 35.360 -2.766 1.00 0.00 H ATOM 588 HB3 SER A 35 0.889 35.537 -1.189 1.00 0.00 H ATOM 589 HG SER A 35 -1.170 36.141 -0.296 1.00 0.00 H ATOM 590 H SER A 35 0.042 34.380 0.726 1.00 0.00 H ATOM 591 N HIS A 36 1.589 32.563 -1.582 1.00 16.31 N ATOM 592 CA HIS A 36 2.492 31.647 -2.265 1.00 14.85 C ATOM 593 C HIS A 36 2.241 30.161 -1.988 1.00 15.76 C ATOM 594 O HIS A 36 3.127 29.321 -2.185 1.00 17.21 O ATOM 595 CB HIS A 36 3.944 32.023 -1.968 1.00 17.31 C ATOM 596 CG HIS A 36 4.394 33.269 -2.672 1.00 18.13 C ATOM 597 ND1 HIS A 36 3.748 34.481 -2.535 1.00 16.86 N ATOM 598 CD2 HIS A 36 5.422 33.485 -3.527 1.00 14.89 C ATOM 599 CE1 HIS A 36 4.359 35.389 -3.277 1.00 13.74 C ATOM 600 NE2 HIS A 36 5.376 34.810 -3.889 1.00 18.64 N ATOM 601 HA HIS A 36 2.283 31.767 -3.328 1.00 0.00 H ATOM 602 HB2 HIS A 36 4.049 32.176 -0.894 1.00 0.00 H ATOM 603 HB3 HIS A 36 4.585 31.199 -2.280 1.00 0.00 H ATOM 604 HD2 HIS A 36 6.149 32.747 -3.865 1.00 0.00 H ATOM 605 HE1 HIS A 36 4.072 36.437 -3.368 1.00 0.00 H ATOM 606 H HIS A 36 1.866 32.969 -0.666 1.00 0.00 H ATOM 607 N GLY A 37 1.035 29.848 -1.514 1.00 13.73 N ATOM 608 CA GLY A 37 0.643 28.465 -1.303 1.00 15.70 C ATOM 609 C GLY A 37 1.071 27.641 -0.106 1.00 14.50 C ATOM 610 O GLY A 37 1.075 26.422 -0.198 1.00 15.34 O ATOM 611 HA3 GLY A 37 0.994 27.920 -2.179 1.00 0.00 H ATOM 612 HA2 GLY A 37 -0.447 28.464 -1.289 1.00 0.00 H ATOM 613 H GLY A 37 0.362 30.609 -1.291 1.00 0.00 H ATOM 614 N ALA A 38 1.409 28.271 1.015 1.00 16.09 N ATOM 615 CA ALA A 38 1.819 27.518 2.198 1.00 17.76 C ATOM 616 C ALA A 38 0.622 27.172 3.080 1.00 17.48 C ATOM 617 O ALA A 38 -0.306 27.972 3.224 1.00 19.82 O ATOM 618 CB ALA A 38 2.847 28.324 3.008 1.00 18.10 C ATOM 619 HA ALA A 38 2.273 26.586 1.860 1.00 0.00 H ATOM 620 HB1 ALA A 38 3.722 28.522 2.388 1.00 0.00 H ATOM 621 HB2 ALA A 38 2.401 29.268 3.321 1.00 0.00 H ATOM 622 HB3 ALA A 38 3.144 27.752 3.887 1.00 0.00 H ATOM 623 H ALA A 38 1.381 29.310 1.050 1.00 0.00 H ATOM 624 N HIS A 39 0.647 25.981 3.667 1.00 17.82 N ATOM 625 CA HIS A 39 -0.429 25.532 4.552 1.00 18.67 C ATOM 626 C HIS A 39 0.145 24.780 5.752 1.00 19.60 C ATOM 627 O HIS A 39 1.121 24.035 5.623 1.00 21.18 O ATOM 628 CB HIS A 39 -1.399 24.611 3.810 1.00 21.39 C ATOM 629 CG HIS A 39 -2.096 25.265 2.658 1.00 24.24 C ATOM 630 ND1 HIS A 39 -1.472 25.520 1.456 1.00 25.62 N ATOM 631 CD2 HIS A 39 -3.366 25.719 2.527 1.00 22.21 C ATOM 632 CE1 HIS A 39 -2.327 26.102 0.633 1.00 24.30 C ATOM 633 NE2 HIS A 39 -3.483 26.234 1.260 1.00 25.23 N ATOM 634 HA HIS A 39 -0.965 26.417 4.894 1.00 0.00 H ATOM 635 HB2 HIS A 39 -0.839 23.756 3.432 1.00 0.00 H ATOM 636 HB3 HIS A 39 -2.154 24.266 4.517 1.00 0.00 H ATOM 637 HD2 HIS A 39 -4.148 25.682 3.285 1.00 0.00 H ATOM 638 HE1 HIS A 39 -2.115 26.419 -0.388 1.00 0.00 H ATOM 639 H HIS A 39 1.454 25.349 3.493 1.00 0.00 H ATOM 640 N ASN A 40 -0.458 24.985 6.918 1.00 18.44 N ATOM 641 CA ASN A 40 -0.012 24.318 8.135 1.00 19.78 C ATOM 642 C ASN A 40 1.504 24.442 8.330 1.00 16.03 C ATOM 643 O ASN A 40 2.220 23.443 8.475 1.00 15.08 O ATOM 644 CB ASN A 40 -0.423 22.845 8.086 1.00 21.01 C ATOM 645 CG ASN A 40 -1.912 22.671 7.850 1.00 24.50 C ATOM 646 OD1 ASN A 40 -2.331 22.033 6.878 1.00 26.35 O ATOM 647 ND2 ASN A 40 -2.722 23.243 8.739 1.00 23.83 N ATOM 648 HA ASN A 40 -0.488 24.806 8.986 1.00 0.00 H ATOM 649 HB2 ASN A 40 0.120 22.356 7.277 1.00 0.00 H ATOM 650 HB3 ASN A 40 -0.161 22.376 9.034 1.00 0.00 H ATOM 651 HD22 ASN A 40 -2.323 23.770 9.542 1.00 0.00 H ATOM 652 HD21 ASN A 40 -3.753 23.162 8.630 1.00 0.00 H ATOM 653 H ASN A 40 -1.267 25.637 6.964 1.00 0.00 H ATOM 654 N TYR A 41 1.982 25.681 8.307 1.00 14.84 N ATOM 655 CA TYR A 41 3.398 25.977 8.489 1.00 15.05 C ATOM 656 C TYR A 41 3.629 25.937 9.992 1.00 14.85 C ATOM 657 O TYR A 41 3.072 26.761 10.713 1.00 16.83 O ATOM 658 CB TYR A 41 3.692 27.383 7.961 1.00 16.48 C ATOM 659 CG TYR A 41 5.146 27.713 7.746 1.00 14.52 C ATOM 660 CD1 TYR A 41 6.159 26.979 8.361 1.00 14.68 C ATOM 661 CD2 TYR A 41 5.512 28.785 6.939 1.00 12.90 C ATOM 662 CE1 TYR A 41 7.500 27.310 8.173 1.00 16.76 C ATOM 663 CE2 TYR A 41 6.849 29.123 6.744 1.00 15.79 C ATOM 664 CZ TYR A 41 7.835 28.385 7.362 1.00 15.56 C ATOM 665 OH TYR A 41 9.156 28.725 7.160 1.00 17.36 O ATOM 666 HA TYR A 41 4.039 25.272 7.959 1.00 0.00 H ATOM 667 HB3 TYR A 41 3.288 28.100 8.676 1.00 0.00 H ATOM 668 HB2 TYR A 41 3.179 27.496 7.006 1.00 0.00 H ATOM 669 HD2 TYR A 41 4.736 29.373 6.449 1.00 0.00 H ATOM 670 HE2 TYR A 41 7.114 29.966 6.106 1.00 0.00 H ATOM 671 HE1 TYR A 41 8.282 26.727 8.661 1.00 0.00 H ATOM 672 HD1 TYR A 41 5.899 26.134 8.998 1.00 0.00 H ATOM 673 HH TYR A 41 9.308 29.652 7.472 1.00 0.00 H ATOM 674 H TYR A 41 1.322 26.470 8.153 1.00 0.00 H ATOM 675 N ALA A 42 4.427 24.982 10.464 1.00 11.58 N ATOM 676 CA ALA A 42 4.704 24.863 11.898 1.00 11.69 C ATOM 677 C ALA A 42 6.193 24.765 12.171 1.00 10.61 C ATOM 678 O ALA A 42 6.940 24.111 11.437 1.00 11.32 O ATOM 679 CB ALA A 42 3.996 23.654 12.473 1.00 12.60 C ATOM 680 HA ALA A 42 4.329 25.765 12.381 1.00 0.00 H ATOM 681 HB1 ALA A 42 2.921 23.760 12.326 1.00 0.00 H ATOM 682 HB2 ALA A 42 4.347 22.754 11.967 1.00 0.00 H ATOM 683 HB3 ALA A 42 4.212 23.581 13.539 1.00 0.00 H ATOM 684 H ALA A 42 4.862 24.308 9.803 1.00 0.00 H ATOM 685 N ILE A 43 6.625 25.427 13.234 1.00 11.80 N ATOM 686 CA ILE A 43 8.027 25.418 13.611 1.00 12.04 C ATOM 687 C ILE A 43 8.134 25.033 15.079 1.00 11.52 C ATOM 688 O ILE A 43 7.425 25.592 15.926 1.00 10.91 O ATOM 689 CB ILE A 43 8.670 26.813 13.390 1.00 8.85 C ATOM 690 CG1 ILE A 43 8.580 27.199 11.912 1.00 11.99 C ATOM 691 CG2 ILE A 43 10.123 26.801 13.837 1.00 11.63 C ATOM 692 CD1 ILE A 43 9.072 28.608 11.619 1.00 14.09 C ATOM 693 HA ILE A 43 8.558 24.698 12.989 1.00 0.00 H ATOM 694 HB ILE A 43 8.128 27.548 13.985 1.00 0.00 H ATOM 695 HG12 ILE A 43 9.182 26.497 11.335 1.00 0.00 H ATOM 696 HG13 ILE A 43 7.538 27.126 11.599 1.00 0.00 H ATOM 697 HD11 ILE A 43 8.473 29.325 12.180 1.00 0.00 H ATOM 698 HD12 ILE A 43 10.117 28.696 11.916 1.00 0.00 H ATOM 699 HD13 ILE A 43 8.978 28.810 10.552 1.00 0.00 H ATOM 700 HG21 ILE A 43 10.174 26.549 14.896 1.00 0.00 H ATOM 701 HG22 ILE A 43 10.674 26.059 13.259 1.00 0.00 H ATOM 702 HG23 ILE A 43 10.560 27.787 13.675 1.00 0.00 H ATOM 703 H ILE A 43 5.946 25.964 13.810 1.00 0.00 H ATOM 704 N TYR A 44 9.012 24.075 15.369 1.00 10.19 N ATOM 705 CA TYR A 44 9.223 23.609 16.737 1.00 10.14 C ATOM 706 C TYR A 44 10.667 23.828 17.169 1.00 10.02 C ATOM 707 O TYR A 44 11.601 23.596 16.403 1.00 11.12 O ATOM 708 CB TYR A 44 8.858 22.127 16.852 1.00 12.60 C ATOM 709 CG TYR A 44 7.419 21.844 16.506 1.00 17.04 C ATOM 710 CD1 TYR A 44 7.040 21.581 15.195 1.00 15.76 C ATOM 711 CD2 TYR A 44 6.426 21.884 17.483 1.00 18.64 C ATOM 712 CE1 TYR A 44 5.708 21.366 14.862 1.00 20.45 C ATOM 713 CE2 TYR A 44 5.083 21.673 17.155 1.00 18.80 C ATOM 714 CZ TYR A 44 4.739 21.415 15.841 1.00 18.15 C ATOM 715 OH TYR A 44 3.425 21.226 15.487 1.00 25.36 O ATOM 716 HA TYR A 44 8.577 24.187 17.398 1.00 0.00 H ATOM 717 HB3 TYR A 44 9.039 21.803 17.877 1.00 0.00 H ATOM 718 HB2 TYR A 44 9.496 21.559 16.175 1.00 0.00 H ATOM 719 HD2 TYR A 44 6.700 22.083 18.519 1.00 0.00 H ATOM 720 HE2 TYR A 44 4.315 21.712 17.928 1.00 0.00 H ATOM 721 HE1 TYR A 44 5.430 21.159 13.829 1.00 0.00 H ATOM 722 HD1 TYR A 44 7.800 21.543 14.415 1.00 0.00 H ATOM 723 HH TYR A 44 3.368 21.054 14.514 1.00 0.00 H ATOM 724 H TYR A 44 9.564 23.646 14.599 1.00 0.00 H ATOM 725 N LEU A 45 10.840 24.272 18.407 1.00 7.80 N ATOM 726 CA LEU A 45 12.162 24.558 18.959 1.00 6.92 C ATOM 727 C LEU A 45 12.737 23.422 19.785 1.00 6.08 C ATOM 728 O LEU A 45 12.065 22.892 20.679 1.00 7.45 O ATOM 729 CB LEU A 45 12.092 25.811 19.839 1.00 6.74 C ATOM 730 CG LEU A 45 13.274 26.139 20.763 1.00 10.74 C ATOM 731 CD1 LEU A 45 14.538 26.384 19.935 1.00 8.57 C ATOM 732 CD2 LEU A 45 12.945 27.369 21.617 1.00 9.69 C ATOM 733 HA LEU A 45 12.822 24.704 18.104 1.00 0.00 H ATOM 734 HB2 LEU A 45 11.962 26.663 19.172 1.00 0.00 H ATOM 735 HB3 LEU A 45 11.210 25.708 20.472 1.00 0.00 H ATOM 736 HG LEU A 45 13.453 25.292 21.425 1.00 0.00 H ATOM 737 HD21 LEU A 45 12.751 28.221 20.965 1.00 0.00 H ATOM 738 HD22 LEU A 45 12.062 27.164 22.222 1.00 0.00 H ATOM 739 HD23 LEU A 45 13.789 27.594 22.269 1.00 0.00 H ATOM 740 HD11 LEU A 45 14.772 25.489 19.358 1.00 0.00 H ATOM 741 HD12 LEU A 45 14.370 27.221 19.257 1.00 0.00 H ATOM 742 HD13 LEU A 45 15.368 26.615 20.602 1.00 0.00 H ATOM 743 H LEU A 45 10.004 24.422 19.007 1.00 0.00 H ATOM 744 N ASP A 46 13.978 23.054 19.486 1.00 6.16 N ATOM 745 CA ASP A 46 14.690 22.022 20.248 1.00 6.45 C ATOM 746 C ASP A 46 15.588 22.862 21.148 1.00 6.55 C ATOM 747 O ASP A 46 16.659 23.280 20.729 1.00 3.61 O ATOM 748 CB ASP A 46 15.553 21.155 19.325 1.00 7.19 C ATOM 749 CG ASP A 46 16.319 20.065 20.078 1.00 6.81 C ATOM 750 OD1 ASP A 46 16.606 20.230 21.288 1.00 7.80 O ATOM 751 OD2 ASP A 46 16.657 19.044 19.445 1.00 9.52 O ATOM 752 HA ASP A 46 14.027 21.337 20.776 1.00 0.00 H ATOM 753 HB2 ASP A 46 14.906 20.680 18.588 1.00 0.00 H ATOM 754 HB3 ASP A 46 16.272 21.797 18.816 1.00 0.00 H ATOM 755 H ASP A 46 14.460 23.512 18.686 1.00 0.00 H ATOM 756 N LYS A 47 15.152 23.124 22.376 1.00 7.24 N ATOM 757 CA LYS A 47 15.943 23.964 23.272 1.00 8.51 C ATOM 758 C LYS A 47 17.342 23.443 23.602 1.00 7.13 C ATOM 759 O LYS A 47 18.289 24.221 23.653 1.00 5.40 O ATOM 760 CB LYS A 47 15.169 24.237 24.572 1.00 10.61 C ATOM 761 CG LYS A 47 13.874 25.031 24.349 1.00 13.41 C ATOM 762 CD LYS A 47 13.119 25.290 25.644 1.00 19.24 C ATOM 763 CE LYS A 47 11.933 26.219 25.406 1.00 20.05 C ATOM 764 NZ LYS A 47 11.083 26.391 26.624 1.00 24.71 N ATOM 765 HA LYS A 47 16.105 24.885 22.713 1.00 0.00 H ATOM 766 HB2 LYS A 47 14.915 23.282 25.032 1.00 0.00 H ATOM 767 HB3 LYS A 47 15.812 24.804 25.246 1.00 0.00 H ATOM 768 HG2 LYS A 47 14.125 25.989 23.893 1.00 0.00 H ATOM 769 HG3 LYS A 47 13.229 24.467 23.675 1.00 0.00 H ATOM 770 HD2 LYS A 47 12.756 24.342 26.042 1.00 0.00 H ATOM 771 HD3 LYS A 47 13.794 25.750 26.365 1.00 0.00 H ATOM 772 HE2 LYS A 47 11.319 25.804 24.607 1.00 0.00 H ATOM 773 HE3 LYS A 47 12.310 27.196 25.102 1.00 0.00 H ATOM 774 HZ1 LYS A 47 10.710 25.466 26.919 1.00 0.00 H ATOM 775 HZ2 LYS A 47 11.657 26.795 27.391 1.00 0.00 H ATOM 776 HZ3 LYS A 47 10.293 27.031 26.406 1.00 0.00 H ATOM 777 H LYS A 47 14.246 22.730 22.700 1.00 0.00 H ATOM 778 N ALA A 48 17.482 22.137 23.826 1.00 4.68 N ATOM 779 CA ALA A 48 18.794 21.580 24.171 1.00 6.91 C ATOM 780 C ALA A 48 19.832 21.696 23.051 1.00 4.90 C ATOM 781 O ALA A 48 21.023 21.820 23.318 1.00 4.38 O ATOM 782 CB ALA A 48 18.656 20.096 24.601 1.00 2.11 C ATOM 783 HA ALA A 48 19.162 22.183 25.001 1.00 0.00 H ATOM 784 HB1 ALA A 48 18.002 20.030 25.471 1.00 0.00 H ATOM 785 HB2 ALA A 48 18.230 19.519 23.780 1.00 0.00 H ATOM 786 HB3 ALA A 48 19.639 19.699 24.853 1.00 0.00 H ATOM 787 H ALA A 48 16.656 21.509 23.756 1.00 0.00 H ATOM 788 N ARG A 49 19.373 21.688 21.805 1.00 4.47 N ATOM 789 CA ARG A 49 20.268 21.732 20.648 1.00 4.99 C ATOM 790 C ARG A 49 20.265 23.027 19.838 1.00 6.82 C ATOM 791 O ARG A 49 20.969 23.130 18.830 1.00 5.58 O ATOM 792 CB ARG A 49 19.918 20.582 19.696 1.00 7.13 C ATOM 793 CG ARG A 49 19.864 19.170 20.322 1.00 8.35 C ATOM 794 CD ARG A 49 19.732 18.124 19.212 1.00 10.11 C ATOM 795 NE ARG A 49 19.827 16.727 19.639 1.00 7.22 N ATOM 796 CZ ARG A 49 18.848 16.020 20.200 1.00 5.69 C ATOM 797 NH1 ARG A 49 17.666 16.565 20.428 1.00 10.62 N ATOM 798 NH2 ARG A 49 19.047 14.748 20.512 1.00 6.43 N ATOM 799 HA ARG A 49 21.267 21.652 21.076 1.00 0.00 H ATOM 800 HB2 ARG A 49 18.939 20.793 19.265 1.00 0.00 H ATOM 801 HB3 ARG A 49 20.666 20.566 18.904 1.00 0.00 H ATOM 802 HG2 ARG A 49 20.778 18.987 20.887 1.00 0.00 H ATOM 803 HG3 ARG A 49 19.006 19.101 20.990 1.00 0.00 H ATOM 804 HD2 ARG A 49 20.523 18.306 18.484 1.00 0.00 H ATOM 805 HD3 ARG A 49 18.762 18.263 18.735 1.00 0.00 H ATOM 806 HE ARG A 49 20.737 16.246 19.492 1.00 0.00 H ATOM 807 HH12 ARG A 49 16.910 16.002 20.867 1.00 0.00 H ATOM 808 HH11 ARG A 49 17.492 17.557 20.169 1.00 0.00 H ATOM 809 HH22 ARG A 49 18.283 14.194 20.950 1.00 0.00 H ATOM 810 HH21 ARG A 49 19.967 14.303 20.319 1.00 0.00 H ATOM 811 H ARG A 49 18.346 21.649 21.646 1.00 0.00 H ATOM 812 N ASN A 50 19.490 24.014 20.265 1.00 3.91 N ATOM 813 CA ASN A 50 19.380 25.264 19.519 1.00 6.23 C ATOM 814 C ASN A 50 18.937 24.961 18.078 1.00 8.98 C ATOM 815 O ASN A 50 19.455 25.551 17.127 1.00 7.35 O ATOM 816 CB ASN A 50 20.713 26.023 19.459 1.00 6.24 C ATOM 817 CG ASN A 50 21.201 26.483 20.825 1.00 2.55 C ATOM 818 OD1 ASN A 50 20.413 26.830 21.705 1.00 5.60 O ATOM 819 ND2 ASN A 50 22.514 26.514 20.989 1.00 2.34 N ATOM 820 HA ASN A 50 18.650 25.886 20.037 1.00 0.00 H ATOM 821 HB2 ASN A 50 21.467 25.367 19.024 1.00 0.00 H ATOM 822 HB3 ASN A 50 20.585 26.899 18.823 1.00 0.00 H ATOM 823 HD22 ASN A 50 23.142 26.211 20.217 1.00 0.00 H ATOM 824 HD21 ASN A 50 22.918 26.841 21.890 1.00 0.00 H ATOM 825 H ASN A 50 18.951 23.896 21.147 1.00 0.00 H ATOM 826 N LEU A 51 17.993 24.038 17.918 1.00 8.67 N ATOM 827 CA LEU A 51 17.498 23.697 16.588 1.00 8.45 C ATOM 828 C LEU A 51 16.025 24.038 16.421 1.00 10.62 C ATOM 829 O LEU A 51 15.252 24.027 17.382 1.00 8.28 O ATOM 830 CB LEU A 51 17.700 22.204 16.296 1.00 8.90 C ATOM 831 CG LEU A 51 19.154 21.717 16.325 1.00 5.30 C ATOM 832 CD1 LEU A 51 19.220 20.233 16.018 1.00 2.95 C ATOM 833 CD2 LEU A 51 19.974 22.497 15.298 1.00 10.83 C ATOM 834 HA LEU A 51 18.074 24.293 15.880 1.00 0.00 H ATOM 835 HB2 LEU A 51 17.141 21.637 17.040 1.00 0.00 H ATOM 836 HB3 LEU A 51 17.296 21.998 15.305 1.00 0.00 H ATOM 837 HG LEU A 51 19.564 21.885 17.321 1.00 0.00 H ATOM 838 HD21 LEU A 51 19.556 22.337 14.304 1.00 0.00 H ATOM 839 HD22 LEU A 51 19.941 23.559 15.540 1.00 0.00 H ATOM 840 HD23 LEU A 51 21.007 22.150 15.320 1.00 0.00 H ATOM 841 HD11 LEU A 51 18.646 19.683 16.764 1.00 0.00 H ATOM 842 HD12 LEU A 51 18.803 20.049 15.028 1.00 0.00 H ATOM 843 HD13 LEU A 51 20.259 19.904 16.043 1.00 0.00 H ATOM 844 H LEU A 51 17.603 23.553 18.751 1.00 0.00 H ATOM 845 N LEU A 52 15.653 24.343 15.182 1.00 8.17 N ATOM 846 CA LEU A 52 14.285 24.677 14.830 1.00 7.76 C ATOM 847 C LEU A 52 13.822 23.703 13.759 1.00 8.33 C ATOM 848 O LEU A 52 14.368 23.672 12.643 1.00 8.26 O ATOM 849 CB LEU A 52 14.209 26.105 14.304 1.00 6.88 C ATOM 850 CG LEU A 52 14.582 27.200 15.307 1.00 8.46 C ATOM 851 CD1 LEU A 52 14.831 28.502 14.560 1.00 7.82 C ATOM 852 CD2 LEU A 52 13.478 27.370 16.345 1.00 7.41 C ATOM 853 HA LEU A 52 13.645 24.605 15.709 1.00 0.00 H ATOM 854 HB2 LEU A 52 14.885 26.185 13.452 1.00 0.00 H ATOM 855 HB3 LEU A 52 13.186 26.287 13.973 1.00 0.00 H ATOM 856 HG LEU A 52 15.492 26.915 15.834 1.00 0.00 H ATOM 857 HD21 LEU A 52 12.550 27.648 15.845 1.00 0.00 H ATOM 858 HD22 LEU A 52 13.337 26.431 16.880 1.00 0.00 H ATOM 859 HD23 LEU A 52 13.761 28.152 17.049 1.00 0.00 H ATOM 860 HD11 LEU A 52 15.647 28.362 13.851 1.00 0.00 H ATOM 861 HD12 LEU A 52 13.927 28.790 14.023 1.00 0.00 H ATOM 862 HD13 LEU A 52 15.097 29.283 15.272 1.00 0.00 H ATOM 863 H LEU A 52 16.373 24.342 14.432 1.00 0.00 H ATOM 864 N PHE A 53 12.802 22.927 14.111 1.00 9.58 N ATOM 865 CA PHE A 53 12.230 21.915 13.236 1.00 9.62 C ATOM 866 C PHE A 53 11.001 22.487 12.573 1.00 11.47 C ATOM 867 O PHE A 53 10.009 22.786 13.243 1.00 15.69 O ATOM 868 CB PHE A 53 11.890 20.676 14.078 1.00 14.32 C ATOM 869 CG PHE A 53 10.926 19.712 13.423 1.00 18.34 C ATOM 870 CD1 PHE A 53 11.104 19.298 12.096 1.00 21.18 C ATOM 871 CD2 PHE A 53 9.869 19.172 14.158 1.00 15.83 C ATOM 872 CE1 PHE A 53 10.243 18.359 11.517 1.00 17.14 C ATOM 873 CE2 PHE A 53 9.012 18.244 13.595 1.00 15.89 C ATOM 874 CZ PHE A 53 9.197 17.832 12.267 1.00 16.97 C ATOM 875 HA PHE A 53 12.934 21.621 12.458 1.00 0.00 H ATOM 876 HB2 PHE A 53 12.817 20.141 14.285 1.00 0.00 H ATOM 877 HB3 PHE A 53 11.449 21.013 15.016 1.00 0.00 H ATOM 878 HD2 PHE A 53 9.717 19.486 15.191 1.00 0.00 H ATOM 879 HE2 PHE A 53 8.192 17.832 14.184 1.00 0.00 H ATOM 880 HZ PHE A 53 8.522 17.100 11.824 1.00 0.00 H ATOM 881 HE1 PHE A 53 10.391 18.043 10.485 1.00 0.00 H ATOM 882 HD1 PHE A 53 11.923 19.712 11.508 1.00 0.00 H ATOM 883 H PHE A 53 12.392 23.049 15.059 1.00 0.00 H ATOM 884 N ALA A 54 11.055 22.638 11.251 1.00 12.11 N ATOM 885 CA ALA A 54 9.919 23.206 10.528 1.00 13.88 C ATOM 886 C ALA A 54 9.237 22.231 9.579 1.00 13.64 C ATOM 887 O ALA A 54 9.886 21.398 8.945 1.00 12.98 O ATOM 888 CB ALA A 54 10.358 24.464 9.758 1.00 12.91 C ATOM 889 HA ALA A 54 9.179 23.461 11.286 1.00 0.00 H ATOM 890 HB1 ALA A 54 10.741 25.203 10.461 1.00 0.00 H ATOM 891 HB2 ALA A 54 11.139 24.198 9.046 1.00 0.00 H ATOM 892 HB3 ALA A 54 9.503 24.878 9.223 1.00 0.00 H ATOM 893 H ALA A 54 11.909 22.351 10.731 1.00 0.00 H ATOM 894 N MET A 55 7.915 22.340 9.501 1.00 13.73 N ATOM 895 CA MET A 55 7.111 21.503 8.619 1.00 16.69 C ATOM 896 C MET A 55 6.120 22.438 7.927 1.00 15.89 C ATOM 897 O MET A 55 5.530 23.308 8.571 1.00 12.43 O ATOM 898 CB MET A 55 6.338 20.463 9.433 1.00 21.01 C ATOM 899 CG MET A 55 5.896 19.213 8.659 1.00 32.15 C ATOM 900 SD MET A 55 4.864 19.481 7.182 1.00 38.80 S ATOM 901 CE MET A 55 5.715 18.458 5.987 1.00 36.53 C ATOM 902 HA MET A 55 7.740 20.974 7.904 1.00 0.00 H ATOM 903 HB2 MET A 55 6.974 20.140 10.257 1.00 0.00 H ATOM 904 HB3 MET A 55 5.445 20.944 9.832 1.00 0.00 H ATOM 905 HG2 MET A 55 5.331 18.583 9.346 1.00 0.00 H ATOM 906 HG3 MET A 55 6.796 18.687 8.341 1.00 0.00 H ATOM 907 HE1 MET A 55 6.740 18.810 5.873 1.00 0.00 H ATOM 908 HE2 MET A 55 5.721 17.425 6.334 1.00 0.00 H ATOM 909 HE3 MET A 55 5.201 18.517 5.028 1.00 0.00 H ATOM 910 H MET A 55 7.436 23.049 10.092 1.00 0.00 H ATOM 911 N VAL A 56 5.958 22.276 6.617 1.00 15.04 N ATOM 912 CA VAL A 56 5.018 23.100 5.861 1.00 15.63 C ATOM 913 C VAL A 56 4.525 22.382 4.615 1.00 17.31 C ATOM 914 O VAL A 56 5.299 21.729 3.903 1.00 18.34 O ATOM 915 CB VAL A 56 5.641 24.455 5.418 1.00 16.47 C ATOM 916 CG1 VAL A 56 6.773 24.222 4.412 1.00 13.02 C ATOM 917 CG2 VAL A 56 4.556 25.348 4.813 1.00 12.89 C ATOM 918 HA VAL A 56 4.186 23.291 6.539 1.00 0.00 H ATOM 919 HB VAL A 56 6.063 24.954 6.290 1.00 0.00 H ATOM 920 HG11 VAL A 56 7.548 23.610 4.874 1.00 0.00 H ATOM 921 HG12 VAL A 56 6.378 23.710 3.535 1.00 0.00 H ATOM 922 HG13 VAL A 56 7.196 25.181 4.114 1.00 0.00 H ATOM 923 HG21 VAL A 56 4.119 24.850 3.947 1.00 0.00 H ATOM 924 HG22 VAL A 56 3.782 25.532 5.558 1.00 0.00 H ATOM 925 HG23 VAL A 56 4.997 26.296 4.504 1.00 0.00 H ATOM 926 H VAL A 56 6.511 21.548 6.121 1.00 0.00 H ATOM 927 N GLU A 57 3.227 22.489 4.371 1.00 16.36 N ATOM 928 CA GLU A 57 2.631 21.891 3.189 1.00 20.05 C ATOM 929 C GLU A 57 2.500 22.997 2.150 1.00 20.56 C ATOM 930 O GLU A 57 1.979 24.079 2.446 1.00 21.92 O ATOM 931 CB GLU A 57 1.254 21.321 3.517 1.00 19.09 C ATOM 932 CG GLU A 57 1.288 20.112 4.423 1.00 24.14 C ATOM 933 CD GLU A 57 -0.095 19.594 4.733 1.00 26.45 C ATOM 934 OE1 GLU A 57 -0.872 20.337 5.370 1.00 29.13 O ATOM 935 OE2 GLU A 57 -0.407 18.451 4.334 1.00 27.64 O ATOM 936 HA GLU A 57 3.249 21.073 2.818 1.00 0.00 H ATOM 937 HB2 GLU A 57 0.668 22.099 4.006 1.00 0.00 H ATOM 938 HB3 GLU A 57 0.770 21.036 2.583 1.00 0.00 H ATOM 939 HG2 GLU A 57 1.858 19.322 3.934 1.00 0.00 H ATOM 940 HG3 GLU A 57 1.778 20.386 5.357 1.00 0.00 H ATOM 941 H GLU A 57 2.624 23.011 5.038 1.00 0.00 H ATOM 942 N ILE A 58 2.980 22.749 0.937 1.00 20.27 N ATOM 943 CA ILE A 58 2.883 23.766 -0.093 1.00 19.82 C ATOM 944 C ILE A 58 2.229 23.220 -1.358 1.00 20.97 C ATOM 945 O ILE A 58 2.263 22.015 -1.628 1.00 21.32 O ATOM 946 CB ILE A 58 4.276 24.378 -0.432 1.00 17.86 C ATOM 947 CG1 ILE A 58 5.135 23.388 -1.219 1.00 21.36 C ATOM 948 CG2 ILE A 58 4.986 24.792 0.849 1.00 15.55 C ATOM 949 CD1 ILE A 58 5.512 22.140 -0.465 1.00 20.61 C ATOM 950 HA ILE A 58 2.251 24.558 0.308 1.00 0.00 H ATOM 951 HB ILE A 58 4.122 25.258 -1.056 1.00 0.00 H ATOM 952 HG12 ILE A 58 4.581 23.092 -2.110 1.00 0.00 H ATOM 953 HG13 ILE A 58 6.053 23.896 -1.515 1.00 0.00 H ATOM 954 HD11 ILE A 58 6.080 22.412 0.424 1.00 0.00 H ATOM 955 HD12 ILE A 58 4.608 21.608 -0.171 1.00 0.00 H ATOM 956 HD13 ILE A 58 6.120 21.500 -1.105 1.00 0.00 H ATOM 957 HG21 ILE A 58 4.384 25.535 1.373 1.00 0.00 H ATOM 958 HG22 ILE A 58 5.122 23.918 1.486 1.00 0.00 H ATOM 959 HG23 ILE A 58 5.958 25.218 0.602 1.00 0.00 H ATOM 960 H ILE A 58 3.423 21.832 0.727 1.00 0.00 H ATOM 961 N GLU A 59 1.618 24.113 -2.124 1.00 20.98 N ATOM 962 CA GLU A 59 0.946 23.719 -3.353 1.00 20.70 C ATOM 963 C GLU A 59 1.944 23.631 -4.493 1.00 21.21 C ATOM 964 O GLU A 59 1.818 22.787 -5.378 1.00 22.89 O ATOM 965 CB GLU A 59 -0.149 24.734 -3.689 1.00 18.26 C ATOM 966 CG GLU A 59 -1.000 25.117 -2.495 1.00 17.10 C ATOM 967 CD GLU A 59 -2.164 26.018 -2.858 1.00 20.17 C ATOM 968 OE1 GLU A 59 -1.975 26.979 -3.638 1.00 23.68 O ATOM 969 OE2 GLU A 59 -3.272 25.765 -2.355 1.00 21.04 O ATOM 970 HA GLU A 59 0.493 22.737 -3.212 1.00 0.00 H ATOM 971 HB2 GLU A 59 0.323 25.635 -4.081 1.00 0.00 H ATOM 972 HB3 GLU A 59 -0.797 24.304 -4.452 1.00 0.00 H ATOM 973 HG2 GLU A 59 -1.394 24.207 -2.043 1.00 0.00 H ATOM 974 HG3 GLU A 59 -0.371 25.637 -1.773 1.00 0.00 H ATOM 975 H GLU A 59 1.619 25.114 -1.841 1.00 0.00 H ATOM 976 N SER A 60 2.960 24.486 -4.454 1.00 21.45 N ATOM 977 CA SER A 60 3.953 24.508 -5.516 1.00 23.71 C ATOM 978 C SER A 60 5.395 24.709 -5.057 1.00 22.44 C ATOM 979 O SER A 60 5.687 25.609 -4.272 1.00 20.20 O ATOM 980 CB SER A 60 3.597 25.602 -6.529 1.00 23.86 C ATOM 981 OG SER A 60 4.711 25.905 -7.357 1.00 28.13 O ATOM 982 HA SER A 60 3.918 23.513 -5.960 1.00 0.00 H ATOM 983 HB2 SER A 60 3.295 26.502 -5.993 1.00 0.00 H ATOM 984 HB3 SER A 60 2.772 25.258 -7.152 1.00 0.00 H ATOM 985 HG SER A 60 4.459 26.612 -8.002 1.00 0.00 H ATOM 986 H SER A 60 3.046 25.147 -3.655 1.00 0.00 H ATOM 987 N GLU A 61 6.295 23.866 -5.560 1.00 21.19 N ATOM 988 CA GLU A 61 7.710 23.983 -5.216 1.00 23.29 C ATOM 989 C GLU A 61 8.236 25.346 -5.672 1.00 22.74 C ATOM 990 O GLU A 61 8.875 26.065 -4.905 1.00 20.02 O ATOM 991 CB GLU A 61 8.539 22.876 -5.893 1.00 23.80 C ATOM 992 CG GLU A 61 8.432 21.479 -5.274 1.00 24.14 C ATOM 993 CD GLU A 61 8.915 21.414 -3.824 1.00 22.66 C ATOM 994 OE1 GLU A 61 9.936 22.047 -3.484 1.00 19.67 O ATOM 995 OE2 GLU A 61 8.273 20.709 -3.026 1.00 27.74 O ATOM 996 HA GLU A 61 7.806 23.881 -4.135 1.00 0.00 H ATOM 997 HB2 GLU A 61 8.216 22.806 -6.932 1.00 0.00 H ATOM 998 HB3 GLU A 61 9.586 23.176 -5.859 1.00 0.00 H ATOM 999 HG2 GLU A 61 7.388 21.167 -5.304 1.00 0.00 H ATOM 1000 HG3 GLU A 61 9.033 20.791 -5.869 1.00 0.00 H ATOM 1001 H GLU A 61 5.986 23.113 -6.207 1.00 0.00 H ATOM 1002 N GLU A 62 7.954 25.697 -6.924 1.00 25.14 N ATOM 1003 CA GLU A 62 8.408 26.963 -7.485 1.00 27.99 C ATOM 1004 C GLU A 62 7.854 28.198 -6.769 1.00 27.54 C ATOM 1005 O GLU A 62 8.596 29.150 -6.524 1.00 27.22 O ATOM 1006 CB GLU A 62 8.061 27.035 -8.971 1.00 31.69 C ATOM 1007 CG GLU A 62 8.753 28.174 -9.699 1.00 38.21 C ATOM 1008 CD GLU A 62 8.342 28.270 -11.155 1.00 43.30 C ATOM 1009 OE1 GLU A 62 7.142 28.488 -11.422 1.00 48.40 O ATOM 1010 OE2 GLU A 62 9.218 28.127 -12.036 1.00 47.54 O ATOM 1011 HA GLU A 62 9.488 26.981 -7.341 1.00 0.00 H ATOM 1012 HB2 GLU A 62 8.355 26.096 -9.440 1.00 0.00 H ATOM 1013 HB3 GLU A 62 6.983 27.167 -9.068 1.00 0.00 H ATOM 1014 HG2 GLU A 62 8.501 29.111 -9.202 1.00 0.00 H ATOM 1015 HG3 GLU A 62 9.830 28.017 -9.650 1.00 0.00 H ATOM 1016 H GLU A 62 7.395 25.051 -7.518 1.00 0.00 H ATOM 1017 N ARG A 63 6.561 28.193 -6.448 1.00 25.15 N ATOM 1018 CA ARG A 63 5.950 29.323 -5.752 1.00 25.52 C ATOM 1019 C ARG A 63 6.556 29.490 -4.360 1.00 25.79 C ATOM 1020 O ARG A 63 6.859 30.608 -3.931 1.00 23.05 O ATOM 1021 CB ARG A 63 4.438 29.131 -5.630 1.00 27.59 C ATOM 1022 CG ARG A 63 3.656 29.546 -6.867 1.00 30.21 C ATOM 1023 CD ARG A 63 2.224 29.048 -6.803 1.00 27.70 C ATOM 1024 NE ARG A 63 1.456 29.644 -5.722 1.00 25.63 N ATOM 1025 CZ ARG A 63 0.346 29.102 -5.242 1.00 26.65 C ATOM 1026 NH1 ARG A 63 -0.096 27.959 -5.754 1.00 19.57 N ATOM 1027 NH2 ARG A 63 -0.324 29.702 -4.266 1.00 28.09 N ATOM 1028 HA ARG A 63 6.148 30.221 -6.337 1.00 0.00 H ATOM 1029 HB2 ARG A 63 4.241 28.076 -5.439 1.00 0.00 H ATOM 1030 HB3 ARG A 63 4.085 29.724 -4.787 1.00 0.00 H ATOM 1031 HG2 ARG A 63 3.652 30.634 -6.937 1.00 0.00 H ATOM 1032 HG3 ARG A 63 4.139 29.128 -7.750 1.00 0.00 H ATOM 1033 HD2 ARG A 63 2.239 27.967 -6.662 1.00 0.00 H ATOM 1034 HD3 ARG A 63 1.733 29.283 -7.747 1.00 0.00 H ATOM 1035 HE ARG A 63 1.793 30.536 -5.307 1.00 0.00 H ATOM 1036 HH12 ARG A 63 -0.966 27.526 -5.384 1.00 0.00 H ATOM 1037 HH11 ARG A 63 0.428 27.497 -6.525 1.00 0.00 H ATOM 1038 HH22 ARG A 63 -1.195 29.273 -3.893 1.00 0.00 H ATOM 1039 HH21 ARG A 63 0.022 30.601 -3.875 1.00 0.00 H ATOM 1040 H ARG A 63 5.976 27.370 -6.697 1.00 0.00 H ATOM 1041 N TRP A 64 6.724 28.375 -3.654 1.00 23.55 N ATOM 1042 CA TRP A 64 7.310 28.420 -2.321 1.00 21.68 C ATOM 1043 C TRP A 64 8.710 29.021 -2.437 1.00 22.20 C ATOM 1044 O TRP A 64 9.082 29.903 -1.660 1.00 20.63 O ATOM 1045 CB TRP A 64 7.377 27.016 -1.733 1.00 19.12 C ATOM 1046 CG TRP A 64 8.042 26.964 -0.402 1.00 22.24 C ATOM 1047 CD1 TRP A 64 9.217 26.352 -0.105 1.00 19.40 C ATOM 1048 CD2 TRP A 64 7.571 27.551 0.823 1.00 19.21 C ATOM 1049 NE1 TRP A 64 9.511 26.517 1.226 1.00 20.81 N ATOM 1050 CE2 TRP A 64 8.518 27.249 1.818 1.00 18.67 C ATOM 1051 CE3 TRP A 64 6.443 28.304 1.170 1.00 18.31 C ATOM 1052 CZ2 TRP A 64 8.369 27.669 3.147 1.00 20.58 C ATOM 1053 CZ3 TRP A 64 6.296 28.722 2.493 1.00 18.40 C ATOM 1054 CH2 TRP A 64 7.255 28.403 3.461 1.00 15.84 C ATOM 1055 HA TRP A 64 6.699 29.032 -1.658 1.00 0.00 H ATOM 1056 HB2 TRP A 64 6.361 26.637 -1.627 1.00 0.00 H ATOM 1057 HB3 TRP A 64 7.931 26.379 -2.422 1.00 0.00 H ATOM 1058 HE1 TRP A 64 10.354 26.145 1.708 1.00 0.00 H ATOM 1059 HD1 TRP A 64 9.836 25.809 -0.819 1.00 0.00 H ATOM 1060 HZ2 TRP A 64 9.113 27.421 3.904 1.00 0.00 H ATOM 1061 HH2 TRP A 64 7.113 28.745 4.486 1.00 0.00 H ATOM 1062 HZ3 TRP A 64 5.421 29.306 2.777 1.00 0.00 H ATOM 1063 HE3 TRP A 64 5.694 28.559 0.421 1.00 0.00 H ATOM 1064 H TRP A 64 6.434 27.462 -4.058 1.00 0.00 H ATOM 1065 N ASN A 65 9.470 28.554 -3.426 1.00 17.95 N ATOM 1066 CA ASN A 65 10.826 29.049 -3.668 1.00 22.86 C ATOM 1067 C ASN A 65 10.839 30.540 -4.008 1.00 20.98 C ATOM 1068 O ASN A 65 11.812 31.238 -3.717 1.00 20.88 O ATOM 1069 CB ASN A 65 11.493 28.270 -4.815 1.00 25.46 C ATOM 1070 CG ASN A 65 12.056 26.921 -4.372 1.00 32.91 C ATOM 1071 OD1 ASN A 65 11.387 26.136 -3.691 1.00 34.90 O ATOM 1072 ND2 ASN A 65 13.291 26.640 -4.777 1.00 36.03 N ATOM 1073 HA ASN A 65 11.384 28.899 -2.744 1.00 0.00 H ATOM 1074 HB2 ASN A 65 10.752 28.098 -5.596 1.00 0.00 H ATOM 1075 HB3 ASN A 65 12.308 28.872 -5.216 1.00 0.00 H ATOM 1076 HD22 ASN A 65 13.820 27.329 -5.349 1.00 0.00 H ATOM 1077 HD21 ASN A 65 13.728 25.731 -4.522 1.00 0.00 H ATOM 1078 H ASN A 65 9.087 27.813 -4.047 1.00 0.00 H ATOM 1079 N ALA A 66 9.762 31.026 -4.616 1.00 18.86 N ATOM 1080 CA ALA A 66 9.668 32.435 -5.004 1.00 19.64 C ATOM 1081 C ALA A 66 9.512 33.404 -3.830 1.00 18.35 C ATOM 1082 O ALA A 66 9.669 34.617 -3.997 1.00 18.76 O ATOM 1083 CB ALA A 66 8.506 32.626 -5.981 1.00 18.49 C ATOM 1084 HA ALA A 66 10.621 32.679 -5.474 1.00 0.00 H ATOM 1085 HB1 ALA A 66 8.676 32.017 -6.869 1.00 0.00 H ATOM 1086 HB2 ALA A 66 7.576 32.320 -5.502 1.00 0.00 H ATOM 1087 HB3 ALA A 66 8.441 33.676 -6.266 1.00 0.00 H ATOM 1088 H ALA A 66 8.966 30.390 -4.822 1.00 0.00 H ATOM 1089 N VAL A 67 9.203 32.888 -2.647 1.00 17.46 N ATOM 1090 CA VAL A 67 9.027 33.762 -1.497 1.00 14.28 C ATOM 1091 C VAL A 67 10.303 34.542 -1.213 1.00 15.04 C ATOM 1092 O VAL A 67 10.243 35.706 -0.835 1.00 15.54 O ATOM 1093 CB VAL A 67 8.612 32.982 -0.242 1.00 13.59 C ATOM 1094 CG1 VAL A 67 8.414 33.948 0.914 1.00 8.66 C ATOM 1095 CG2 VAL A 67 7.310 32.222 -0.507 1.00 9.35 C ATOM 1096 HA VAL A 67 8.225 34.457 -1.746 1.00 0.00 H ATOM 1097 HB VAL A 67 9.396 32.268 0.012 1.00 0.00 H ATOM 1098 HG11 VAL A 67 9.347 34.478 1.107 1.00 0.00 H ATOM 1099 HG12 VAL A 67 7.634 34.665 0.657 1.00 0.00 H ATOM 1100 HG13 VAL A 67 8.119 33.392 1.804 1.00 0.00 H ATOM 1101 HG21 VAL A 67 6.524 32.931 -0.767 1.00 0.00 H ATOM 1102 HG22 VAL A 67 7.459 31.525 -1.331 1.00 0.00 H ATOM 1103 HG23 VAL A 67 7.023 31.671 0.389 1.00 0.00 H ATOM 1104 H VAL A 67 9.087 31.860 -2.542 1.00 0.00 H ATOM 1105 N ALA A 68 11.450 33.906 -1.425 1.00 13.71 N ATOM 1106 CA ALA A 68 12.748 34.541 -1.192 1.00 17.14 C ATOM 1107 C ALA A 68 12.987 35.778 -2.064 1.00 17.40 C ATOM 1108 O ALA A 68 13.819 36.630 -1.732 1.00 15.02 O ATOM 1109 CB ALA A 68 13.880 33.528 -1.428 1.00 13.63 C ATOM 1110 HA ALA A 68 12.742 34.877 -0.155 1.00 0.00 H ATOM 1111 HB1 ALA A 68 13.763 32.688 -0.743 1.00 0.00 H ATOM 1112 HB2 ALA A 68 13.836 33.169 -2.456 1.00 0.00 H ATOM 1113 HB3 ALA A 68 14.841 34.011 -1.252 1.00 0.00 H ATOM 1114 H ALA A 68 11.425 32.924 -1.768 1.00 0.00 H ATOM 1115 N SER A 69 12.267 35.864 -3.181 1.00 18.00 N ATOM 1116 CA SER A 69 12.406 36.982 -4.099 1.00 19.94 C ATOM 1117 C SER A 69 11.608 38.207 -3.687 1.00 19.38 C ATOM 1118 O SER A 69 11.864 39.307 -4.186 1.00 19.26 O ATOM 1119 CB SER A 69 11.980 36.568 -5.514 1.00 23.70 C ATOM 1120 OG SER A 69 12.965 35.756 -6.127 1.00 25.60 O ATOM 1121 HA SER A 69 13.461 37.255 -4.077 1.00 0.00 H ATOM 1122 HB2 SER A 69 11.831 37.463 -6.117 1.00 0.00 H ATOM 1123 HB3 SER A 69 11.045 36.011 -5.456 1.00 0.00 H ATOM 1124 HG SER A 69 13.815 36.259 -6.187 1.00 0.00 H ATOM 1125 H SER A 69 11.586 35.110 -3.403 1.00 0.00 H ATOM 1126 N THR A 70 10.644 38.020 -2.787 1.00 16.57 N ATOM 1127 CA THR A 70 9.810 39.127 -2.336 1.00 13.35 C ATOM 1128 C THR A 70 10.527 40.031 -1.354 1.00 14.79 C ATOM 1129 O THR A 70 11.384 39.594 -0.574 1.00 14.97 O ATOM 1130 CB THR A 70 8.516 38.649 -1.650 1.00 11.84 C ATOM 1131 OG1 THR A 70 8.833 38.039 -0.394 1.00 11.00 O ATOM 1132 CG2 THR A 70 7.789 37.661 -2.522 1.00 11.50 C ATOM 1133 HA THR A 70 9.571 39.677 -3.247 1.00 0.00 H ATOM 1134 HB THR A 70 7.870 39.511 -1.485 1.00 0.00 H ATOM 1135 HG1 THR A 70 9.430 37.264 -0.546 1.00 0.00 H ATOM 1136 HG23 THR A 70 7.549 38.129 -3.477 1.00 0.00 H ATOM 1137 HG21 THR A 70 8.424 36.791 -2.691 1.00 0.00 H ATOM 1138 HG22 THR A 70 6.869 37.350 -2.027 1.00 0.00 H ATOM 1139 H THR A 70 10.484 37.068 -2.400 1.00 0.00 H ATOM 1140 N ASP A 71 10.161 41.303 -1.393 1.00 13.46 N ATOM 1141 CA ASP A 71 10.754 42.276 -0.508 1.00 15.89 C ATOM 1142 C ASP A 71 10.484 41.953 0.962 1.00 15.35 C ATOM 1143 O ASP A 71 11.403 41.983 1.779 1.00 14.08 O ATOM 1144 CB ASP A 71 10.225 43.670 -0.834 1.00 20.04 C ATOM 1145 CG ASP A 71 10.894 44.747 -0.008 1.00 22.67 C ATOM 1146 OD1 ASP A 71 12.127 44.941 -0.153 1.00 27.26 O ATOM 1147 OD2 ASP A 71 10.188 45.386 0.797 1.00 24.31 O ATOM 1148 HA ASP A 71 11.832 42.244 -0.663 1.00 0.00 H ATOM 1149 HB2 ASP A 71 10.405 43.875 -1.889 1.00 0.00 H ATOM 1150 HB3 ASP A 71 9.153 43.693 -0.638 1.00 0.00 H ATOM 1151 H ASP A 71 9.434 41.606 -2.073 1.00 0.00 H ATOM 1152 N VAL A 72 9.238 41.630 1.301 1.00 14.30 N ATOM 1153 CA VAL A 72 8.919 41.346 2.697 1.00 15.96 C ATOM 1154 C VAL A 72 9.704 40.154 3.261 1.00 15.74 C ATOM 1155 O VAL A 72 10.167 40.217 4.395 1.00 16.66 O ATOM 1156 CB VAL A 72 7.388 41.130 2.917 1.00 13.32 C ATOM 1157 CG1 VAL A 72 6.932 39.860 2.244 1.00 12.61 C ATOM 1158 CG2 VAL A 72 7.072 41.098 4.415 1.00 12.25 C ATOM 1159 HA VAL A 72 9.227 42.234 3.249 1.00 0.00 H ATOM 1160 HB VAL A 72 6.846 41.962 2.468 1.00 0.00 H ATOM 1161 HG11 VAL A 72 7.131 39.926 1.174 1.00 0.00 H ATOM 1162 HG12 VAL A 72 7.474 39.013 2.664 1.00 0.00 H ATOM 1163 HG13 VAL A 72 5.863 39.727 2.409 1.00 0.00 H ATOM 1164 HG21 VAL A 72 7.620 40.281 4.883 1.00 0.00 H ATOM 1165 HG22 VAL A 72 7.370 42.044 4.868 1.00 0.00 H ATOM 1166 HG23 VAL A 72 6.002 40.947 4.556 1.00 0.00 H ATOM 1167 H VAL A 72 8.495 41.580 0.575 1.00 0.00 H ATOM 1168 N CYS A 73 9.869 39.077 2.494 1.00 17.45 N ATOM 1169 CA CYS A 73 10.638 37.948 3.017 1.00 14.91 C ATOM 1170 C CYS A 73 12.084 38.378 3.164 1.00 13.72 C ATOM 1171 O CYS A 73 12.766 37.976 4.106 1.00 9.63 O ATOM 1172 CB CYS A 73 10.571 36.720 2.108 1.00 18.76 C ATOM 1173 SG CYS A 73 11.442 35.245 2.805 1.00 14.62 S ATOM 1174 HA CYS A 73 10.206 37.664 3.977 1.00 0.00 H ATOM 1175 HB2 CYS A 73 11.028 36.972 1.151 1.00 0.00 H ATOM 1176 HB3 CYS A 73 9.524 36.462 1.952 1.00 0.00 H ATOM 1177 HG CYS A 73 10.868 34.901 4.012 1.00 0.00 H ATOM 1178 H CYS A 73 9.458 39.040 1.539 1.00 0.00 H ATOM 1179 N GLN A 74 12.551 39.216 2.244 1.00 12.06 N ATOM 1180 CA GLN A 74 13.932 39.685 2.307 1.00 14.74 C ATOM 1181 C GLN A 74 14.154 40.538 3.560 1.00 16.58 C ATOM 1182 O GLN A 74 15.134 40.346 4.300 1.00 12.52 O ATOM 1183 CB GLN A 74 14.272 40.470 1.035 1.00 16.60 C ATOM 1184 CG GLN A 74 14.646 39.571 -0.148 1.00 15.04 C ATOM 1185 CD GLN A 74 14.610 40.301 -1.492 1.00 16.44 C ATOM 1186 OE1 GLN A 74 14.811 41.509 -1.564 1.00 12.40 O ATOM 1187 NE2 GLN A 74 14.372 39.556 -2.560 1.00 17.45 N ATOM 1188 HA GLN A 74 14.598 38.825 2.370 1.00 0.00 H ATOM 1189 HB2 GLN A 74 13.405 41.069 0.755 1.00 0.00 H ATOM 1190 HB3 GLN A 74 15.113 41.129 1.249 1.00 0.00 H ATOM 1191 HG2 GLN A 74 15.654 39.188 0.012 1.00 0.00 H ATOM 1192 HG3 GLN A 74 13.944 38.738 -0.187 1.00 0.00 H ATOM 1193 HE22 GLN A 74 14.207 38.535 -2.455 1.00 0.00 H ATOM 1194 HE21 GLN A 74 14.350 39.992 -3.504 1.00 0.00 H ATOM 1195 H GLN A 74 11.929 39.539 1.475 1.00 0.00 H ATOM 1196 N ARG A 75 13.249 41.476 3.822 1.00 13.87 N ATOM 1197 CA ARG A 75 13.431 42.274 5.017 1.00 15.91 C ATOM 1198 C ARG A 75 13.162 41.453 6.284 1.00 16.91 C ATOM 1199 O ARG A 75 13.739 41.729 7.334 1.00 16.62 O ATOM 1200 CB ARG A 75 12.599 43.556 4.954 1.00 17.38 C ATOM 1201 CG ARG A 75 13.336 44.610 4.124 1.00 20.79 C ATOM 1202 CD ARG A 75 12.810 46.019 4.297 1.00 24.58 C ATOM 1203 NE ARG A 75 12.883 46.531 5.667 1.00 22.71 N ATOM 1204 CZ ARG A 75 13.992 46.906 6.305 1.00 18.78 C ATOM 1205 NH1 ARG A 75 15.182 46.829 5.727 1.00 11.83 N ATOM 1206 NH2 ARG A 75 13.894 47.402 7.527 1.00 14.47 N ATOM 1207 HA ARG A 75 14.476 42.581 5.066 1.00 0.00 H ATOM 1208 HB2 ARG A 75 11.635 43.340 4.493 1.00 0.00 H ATOM 1209 HB3 ARG A 75 12.441 43.935 5.964 1.00 0.00 H ATOM 1210 HG2 ARG A 75 14.387 44.600 4.414 1.00 0.00 H ATOM 1211 HG3 ARG A 75 13.248 44.339 3.072 1.00 0.00 H ATOM 1212 HD2 ARG A 75 11.766 46.034 3.983 1.00 0.00 H ATOM 1213 HD3 ARG A 75 13.391 46.681 3.655 1.00 0.00 H ATOM 1214 HE ARG A 75 11.988 46.609 6.190 1.00 0.00 H ATOM 1215 HH12 ARG A 75 16.032 47.128 6.246 1.00 0.00 H ATOM 1216 HH11 ARG A 75 15.266 46.470 4.755 1.00 0.00 H ATOM 1217 HH22 ARG A 75 14.750 47.699 8.038 1.00 0.00 H ATOM 1218 HH21 ARG A 75 12.961 47.495 7.977 1.00 0.00 H ATOM 1219 H ARG A 75 12.438 41.632 3.190 1.00 0.00 H ATOM 1220 N TRP A 76 12.323 40.425 6.182 1.00 15.85 N ATOM 1221 CA TRP A 76 12.061 39.561 7.333 1.00 15.15 C ATOM 1222 C TRP A 76 13.365 38.830 7.681 1.00 15.18 C ATOM 1223 O TRP A 76 13.806 38.837 8.835 1.00 14.46 O ATOM 1224 CB TRP A 76 10.978 38.541 7.005 1.00 11.61 C ATOM 1225 CG TRP A 76 10.780 37.497 8.071 1.00 14.68 C ATOM 1226 CD1 TRP A 76 11.210 36.189 8.044 1.00 13.08 C ATOM 1227 CD2 TRP A 76 10.094 37.664 9.319 1.00 14.60 C ATOM 1228 NE1 TRP A 76 10.826 35.543 9.199 1.00 13.46 N ATOM 1229 CE2 TRP A 76 10.142 36.423 9.995 1.00 14.45 C ATOM 1230 CE3 TRP A 76 9.441 38.744 9.932 1.00 18.02 C ATOM 1231 CZ2 TRP A 76 9.556 36.233 11.262 1.00 17.06 C ATOM 1232 CZ3 TRP A 76 8.857 38.554 11.198 1.00 16.07 C ATOM 1233 CH2 TRP A 76 8.923 37.307 11.843 1.00 16.62 C ATOM 1234 HA TRP A 76 11.716 40.163 8.174 1.00 0.00 H ATOM 1235 HB2 TRP A 76 10.037 39.072 6.866 1.00 0.00 H ATOM 1236 HB3 TRP A 76 11.250 38.037 6.077 1.00 0.00 H ATOM 1237 HE1 TRP A 76 11.024 34.548 9.429 1.00 0.00 H ATOM 1238 HD1 TRP A 76 11.771 35.732 7.229 1.00 0.00 H ATOM 1239 HZ2 TRP A 76 9.603 35.267 11.765 1.00 0.00 H ATOM 1240 HH2 TRP A 76 8.463 37.189 12.824 1.00 0.00 H ATOM 1241 HZ3 TRP A 76 8.347 39.385 11.685 1.00 0.00 H ATOM 1242 HE3 TRP A 76 9.387 39.713 9.436 1.00 0.00 H ATOM 1243 H TRP A 76 11.849 40.234 5.276 1.00 0.00 H ATOM 1244 N TRP A 77 13.981 38.210 6.674 1.00 12.12 N ATOM 1245 CA TRP A 77 15.230 37.489 6.875 1.00 12.17 C ATOM 1246 C TRP A 77 16.373 38.390 7.347 1.00 13.03 C ATOM 1247 O TRP A 77 17.210 37.973 8.155 1.00 13.16 O ATOM 1248 CB TRP A 77 15.608 36.723 5.599 1.00 11.15 C ATOM 1249 CG TRP A 77 14.776 35.466 5.390 1.00 10.37 C ATOM 1250 CD1 TRP A 77 13.987 34.836 6.322 1.00 9.22 C ATOM 1251 CD2 TRP A 77 14.718 34.654 4.205 1.00 12.86 C ATOM 1252 NE1 TRP A 77 13.446 33.686 5.792 1.00 10.75 N ATOM 1253 CE2 TRP A 77 13.877 33.547 4.497 1.00 11.03 C ATOM 1254 CE3 TRP A 77 15.298 34.750 2.925 1.00 10.93 C ATOM 1255 CZ2 TRP A 77 13.603 32.540 3.555 1.00 10.40 C ATOM 1256 CZ3 TRP A 77 15.025 33.743 1.986 1.00 13.72 C ATOM 1257 CH2 TRP A 77 14.183 32.654 2.311 1.00 12.19 C ATOM 1258 HA TRP A 77 15.065 36.775 7.681 1.00 0.00 H ATOM 1259 HB2 TRP A 77 15.463 37.382 4.743 1.00 0.00 H ATOM 1260 HB3 TRP A 77 16.658 36.438 5.663 1.00 0.00 H ATOM 1261 HE1 TRP A 77 12.813 33.029 6.292 1.00 0.00 H ATOM 1262 HD1 TRP A 77 13.814 35.195 7.336 1.00 0.00 H ATOM 1263 HZ2 TRP A 77 12.955 31.699 3.800 1.00 0.00 H ATOM 1264 HH2 TRP A 77 13.989 31.888 1.560 1.00 0.00 H ATOM 1265 HZ3 TRP A 77 15.468 33.801 0.992 1.00 0.00 H ATOM 1266 HE3 TRP A 77 15.945 35.589 2.669 1.00 0.00 H ATOM 1267 H TRP A 77 13.560 38.242 5.724 1.00 0.00 H ATOM 1268 N LYS A 78 16.420 39.624 6.855 1.00 13.16 N ATOM 1269 CA LYS A 78 17.461 40.555 7.292 1.00 11.22 C ATOM 1270 C LYS A 78 17.199 40.770 8.780 1.00 10.27 C ATOM 1271 O LYS A 78 18.110 40.693 9.605 1.00 10.06 O ATOM 1272 CB LYS A 78 17.343 41.898 6.549 1.00 11.28 C ATOM 1273 CG LYS A 78 18.322 43.000 7.012 1.00 11.26 C ATOM 1274 CD LYS A 78 18.153 44.264 6.172 1.00 15.59 C ATOM 1275 CE LYS A 78 19.097 45.390 6.596 1.00 13.68 C ATOM 1276 NZ LYS A 78 18.939 45.769 8.026 1.00 13.81 N ATOM 1277 HA LYS A 78 18.458 40.163 7.091 1.00 0.00 H ATOM 1278 HB2 LYS A 78 17.521 41.713 5.490 1.00 0.00 H ATOM 1279 HB3 LYS A 78 16.328 42.270 6.686 1.00 0.00 H ATOM 1280 HG2 LYS A 78 18.125 43.237 8.058 1.00 0.00 H ATOM 1281 HG3 LYS A 78 19.344 42.636 6.909 1.00 0.00 H ATOM 1282 HD2 LYS A 78 18.351 44.018 5.129 1.00 0.00 H ATOM 1283 HD3 LYS A 78 17.126 44.614 6.273 1.00 0.00 H ATOM 1284 HE2 LYS A 78 18.894 46.265 5.979 1.00 0.00 H ATOM 1285 HE3 LYS A 78 20.124 45.063 6.434 1.00 0.00 H ATOM 1286 HZ1 LYS A 78 17.964 46.092 8.192 1.00 0.00 H ATOM 1287 HZ2 LYS A 78 19.139 44.944 8.626 1.00 0.00 H ATOM 1288 HZ3 LYS A 78 19.603 46.535 8.256 1.00 0.00 H ATOM 1289 H LYS A 78 15.713 39.929 6.156 1.00 0.00 H ATOM 1290 N TYR A 79 15.941 41.046 9.109 1.00 6.92 N ATOM 1291 CA TYR A 79 15.536 41.269 10.488 1.00 9.77 C ATOM 1292 C TYR A 79 15.899 40.102 11.409 1.00 12.67 C ATOM 1293 O TYR A 79 16.380 40.309 12.524 1.00 11.11 O ATOM 1294 CB TYR A 79 14.026 41.509 10.517 1.00 8.27 C ATOM 1295 CG TYR A 79 13.382 41.512 11.886 1.00 13.45 C ATOM 1296 CD1 TYR A 79 13.876 42.311 12.915 1.00 15.47 C ATOM 1297 CD2 TYR A 79 12.226 40.775 12.126 1.00 18.35 C ATOM 1298 CE1 TYR A 79 13.227 42.381 14.151 1.00 18.38 C ATOM 1299 CE2 TYR A 79 11.572 40.839 13.353 1.00 18.99 C ATOM 1300 CZ TYR A 79 12.075 41.644 14.357 1.00 17.11 C ATOM 1301 OH TYR A 79 11.410 41.713 15.561 1.00 25.05 O ATOM 1302 HA TYR A 79 16.076 42.138 10.863 1.00 0.00 H ATOM 1303 HB3 TYR A 79 13.552 40.725 9.927 1.00 0.00 H ATOM 1304 HB2 TYR A 79 13.833 42.477 10.055 1.00 0.00 H ATOM 1305 HD2 TYR A 79 11.826 40.136 11.339 1.00 0.00 H ATOM 1306 HE2 TYR A 79 10.666 40.256 13.521 1.00 0.00 H ATOM 1307 HE1 TYR A 79 13.626 43.011 14.946 1.00 0.00 H ATOM 1308 HD1 TYR A 79 14.784 42.892 12.753 1.00 0.00 H ATOM 1309 HH TYR A 79 10.492 42.051 15.411 1.00 0.00 H ATOM 1310 H TYR A 79 15.225 41.104 8.357 1.00 0.00 H ATOM 1311 N MET A 80 15.680 38.877 10.934 1.00 12.63 N ATOM 1312 CA MET A 80 15.953 37.676 11.729 1.00 13.67 C ATOM 1313 C MET A 80 17.419 37.276 11.909 1.00 13.36 C ATOM 1314 O MET A 80 17.724 36.401 12.724 1.00 14.43 O ATOM 1315 CB MET A 80 15.178 36.496 11.147 1.00 9.69 C ATOM 1316 CG MET A 80 13.653 36.641 11.237 1.00 8.24 C ATOM 1317 SD MET A 80 13.007 36.817 12.942 1.00 8.09 S ATOM 1318 CE MET A 80 13.343 35.202 13.549 1.00 7.84 C ATOM 1319 HA MET A 80 15.624 37.944 12.733 1.00 0.00 H ATOM 1320 HB2 MET A 80 15.451 36.392 10.097 1.00 0.00 H ATOM 1321 HB3 MET A 80 15.469 35.595 11.688 1.00 0.00 H ATOM 1322 HG2 MET A 80 13.199 35.756 10.790 1.00 0.00 H ATOM 1323 HG3 MET A 80 13.360 37.524 10.669 1.00 0.00 H ATOM 1324 HE1 MET A 80 12.810 34.469 12.943 1.00 0.00 H ATOM 1325 HE2 MET A 80 14.415 35.010 13.495 1.00 0.00 H ATOM 1326 HE3 MET A 80 13.012 35.128 14.585 1.00 0.00 H ATOM 1327 H MET A 80 15.304 38.769 9.970 1.00 0.00 H ATOM 1328 N THR A 81 18.329 37.903 11.169 1.00 10.60 N ATOM 1329 CA THR A 81 19.739 37.549 11.298 1.00 12.11 C ATOM 1330 C THR A 81 20.281 37.828 12.691 1.00 12.70 C ATOM 1331 O THR A 81 21.308 37.269 13.074 1.00 8.49 O ATOM 1332 CB THR A 81 20.640 38.310 10.306 1.00 12.56 C ATOM 1333 OG1 THR A 81 20.561 39.714 10.574 1.00 11.22 O ATOM 1334 CG2 THR A 81 20.224 38.033 8.871 1.00 11.04 C ATOM 1335 HA THR A 81 19.768 36.481 11.084 1.00 0.00 H ATOM 1336 HB THR A 81 21.667 37.968 10.434 1.00 0.00 H ATOM 1337 HG1 THR A 81 19.624 40.016 10.470 1.00 0.00 H ATOM 1338 HG23 THR A 81 20.287 36.962 8.676 1.00 0.00 H ATOM 1339 HG21 THR A 81 19.199 38.371 8.719 1.00 0.00 H ATOM 1340 HG22 THR A 81 20.888 38.567 8.192 1.00 0.00 H ATOM 1341 H THR A 81 18.037 38.644 10.500 1.00 0.00 H ATOM 1342 N ASP A 82 19.617 38.687 13.461 1.00 10.52 N ATOM 1343 CA ASP A 82 20.153 38.957 14.786 1.00 12.67 C ATOM 1344 C ASP A 82 19.812 37.887 15.820 1.00 11.34 C ATOM 1345 O ASP A 82 20.375 37.893 16.918 1.00 9.72 O ATOM 1346 CB ASP A 82 19.746 40.345 15.293 1.00 12.81 C ATOM 1347 CG ASP A 82 18.264 40.552 15.313 1.00 16.32 C ATOM 1348 OD1 ASP A 82 17.525 39.551 15.403 1.00 20.01 O ATOM 1349 OD2 ASP A 82 17.839 41.730 15.259 1.00 20.94 O ATOM 1350 HA ASP A 82 21.236 38.933 14.663 1.00 0.00 H ATOM 1351 HB2 ASP A 82 20.128 40.470 16.306 1.00 0.00 H ATOM 1352 HB3 ASP A 82 20.193 41.097 14.642 1.00 0.00 H ATOM 1353 H ASP A 82 18.747 39.148 13.127 1.00 0.00 H ATOM 1354 N VAL A 83 18.910 36.967 15.475 1.00 8.24 N ATOM 1355 CA VAL A 83 18.557 35.890 16.407 1.00 8.16 C ATOM 1356 C VAL A 83 18.921 34.485 15.914 1.00 11.04 C ATOM 1357 O VAL A 83 18.769 33.513 16.659 1.00 9.98 O ATOM 1358 CB VAL A 83 17.046 35.892 16.786 1.00 5.34 C ATOM 1359 CG1 VAL A 83 16.705 37.159 17.544 1.00 8.13 C ATOM 1360 CG2 VAL A 83 16.177 35.770 15.540 1.00 11.86 C ATOM 1361 HA VAL A 83 19.163 36.113 17.285 1.00 0.00 H ATOM 1362 HB VAL A 83 16.847 35.032 17.425 1.00 0.00 H ATOM 1363 HG11 VAL A 83 17.304 37.209 18.453 1.00 0.00 H ATOM 1364 HG12 VAL A 83 16.920 38.025 16.917 1.00 0.00 H ATOM 1365 HG13 VAL A 83 15.647 37.151 17.805 1.00 0.00 H ATOM 1366 HG21 VAL A 83 16.375 36.612 14.877 1.00 0.00 H ATOM 1367 HG22 VAL A 83 16.410 34.838 15.026 1.00 0.00 H ATOM 1368 HG23 VAL A 83 15.126 35.774 15.830 1.00 0.00 H ATOM 1369 H VAL A 83 18.455 37.013 14.541 1.00 0.00 H ATOM 1370 N MET A 84 19.398 34.362 14.676 1.00 8.10 N ATOM 1371 CA MET A 84 19.751 33.035 14.163 1.00 10.37 C ATOM 1372 C MET A 84 20.800 33.052 13.061 1.00 10.21 C ATOM 1373 O MET A 84 20.940 34.041 12.339 1.00 15.02 O ATOM 1374 CB MET A 84 18.493 32.333 13.649 1.00 10.11 C ATOM 1375 CG MET A 84 17.904 32.974 12.390 1.00 7.96 C ATOM 1376 SD MET A 84 16.171 32.553 12.149 1.00 7.68 S ATOM 1377 CE MET A 84 16.278 30.778 11.889 1.00 4.85 C ATOM 1378 HA MET A 84 20.192 32.495 15.001 1.00 0.00 H ATOM 1379 HB2 MET A 84 18.744 31.297 13.423 1.00 0.00 H ATOM 1380 HB3 MET A 84 17.738 32.359 14.435 1.00 0.00 H ATOM 1381 HG2 MET A 84 18.471 32.631 11.525 1.00 0.00 H ATOM 1382 HG3 MET A 84 17.992 34.057 12.475 1.00 0.00 H ATOM 1383 HE1 MET A 84 16.899 30.577 11.016 1.00 0.00 H ATOM 1384 HE2 MET A 84 16.721 30.309 12.768 1.00 0.00 H ATOM 1385 HE3 MET A 84 15.278 30.375 11.726 1.00 0.00 H ATOM 1386 H MET A 84 19.519 35.203 14.077 1.00 0.00 H ATOM 1387 N PRO A 85 21.555 31.952 12.914 1.00 8.31 N ATOM 1388 CA PRO A 85 22.588 31.874 11.879 1.00 10.65 C ATOM 1389 C PRO A 85 21.955 32.040 10.499 1.00 10.20 C ATOM 1390 O PRO A 85 20.883 31.484 10.225 1.00 7.05 O ATOM 1391 CB PRO A 85 23.169 30.479 12.072 1.00 10.65 C ATOM 1392 CG PRO A 85 22.972 30.234 13.540 1.00 10.48 C ATOM 1393 CD PRO A 85 21.564 30.738 13.746 1.00 7.27 C ATOM 1394 HA PRO A 85 23.349 32.651 11.951 1.00 0.00 H ATOM 1395 HD3 PRO A 85 20.828 30.013 13.399 1.00 0.00 H ATOM 1396 HD2 PRO A 85 21.375 30.973 14.794 1.00 0.00 H ATOM 1397 HG3 PRO A 85 23.688 30.798 14.137 1.00 0.00 H ATOM 1398 HG2 PRO A 85 23.055 29.174 13.781 1.00 0.00 H ATOM 1399 HB2 PRO A 85 22.630 29.743 11.475 1.00 0.00 H ATOM 1400 HB3 PRO A 85 24.226 30.454 11.808 1.00 0.00 H ATOM 1401 N ALA A 86 22.623 32.803 9.638 1.00 9.32 N ATOM 1402 CA ALA A 86 22.124 33.037 8.292 1.00 11.75 C ATOM 1403 C ALA A 86 23.193 32.933 7.214 1.00 12.91 C ATOM 1404 O ALA A 86 24.386 33.132 7.480 1.00 11.91 O ATOM 1405 CB ALA A 86 21.444 34.409 8.218 1.00 11.73 C ATOM 1406 HA ALA A 86 21.405 32.242 8.091 1.00 0.00 H ATOM 1407 HB1 ALA A 86 20.611 34.439 8.921 1.00 0.00 H ATOM 1408 HB2 ALA A 86 22.165 35.185 8.474 1.00 0.00 H ATOM 1409 HB3 ALA A 86 21.074 34.575 7.206 1.00 0.00 H ATOM 1410 H ALA A 86 23.519 33.241 9.933 1.00 0.00 H ATOM 1411 N ASN A 87 22.753 32.599 5.998 1.00 9.27 N ATOM 1412 CA ASN A 87 23.631 32.489 4.839 1.00 7.56 C ATOM 1413 C ASN A 87 23.986 33.914 4.407 1.00 10.79 C ATOM 1414 O ASN A 87 23.357 34.873 4.839 1.00 7.84 O ATOM 1415 CB ASN A 87 22.908 31.795 3.672 1.00 10.21 C ATOM 1416 CG ASN A 87 22.453 30.379 4.010 1.00 11.07 C ATOM 1417 OD1 ASN A 87 21.286 30.033 3.836 1.00 9.86 O ATOM 1418 ND2 ASN A 87 23.377 29.555 4.481 1.00 8.01 N ATOM 1419 HA ASN A 87 24.514 31.905 5.098 1.00 0.00 H ATOM 1420 HB2 ASN A 87 22.033 32.387 3.404 1.00 0.00 H ATOM 1421 HB3 ASN A 87 23.587 31.748 2.821 1.00 0.00 H ATOM 1422 HD22 ASN A 87 24.353 29.889 4.613 1.00 0.00 H ATOM 1423 HD21 ASN A 87 23.126 28.574 4.719 1.00 0.00 H ATOM 1424 H ASN A 87 21.738 32.409 5.872 1.00 0.00 H ATOM 1425 N PRO A 88 25.003 34.070 3.549 1.00 12.07 N ATOM 1426 CA PRO A 88 25.362 35.419 3.110 1.00 12.23 C ATOM 1427 C PRO A 88 24.190 36.231 2.529 1.00 12.23 C ATOM 1428 O PRO A 88 24.123 37.439 2.737 1.00 11.95 O ATOM 1429 CB PRO A 88 26.454 35.157 2.083 1.00 12.39 C ATOM 1430 CG PRO A 88 27.163 33.996 2.678 1.00 12.22 C ATOM 1431 CD PRO A 88 26.011 33.094 3.103 1.00 10.29 C ATOM 1432 HA PRO A 88 25.682 36.046 3.942 1.00 0.00 H ATOM 1433 HD3 PRO A 88 25.644 32.500 2.266 1.00 0.00 H ATOM 1434 HD2 PRO A 88 26.307 32.431 3.916 1.00 0.00 H ATOM 1435 HG3 PRO A 88 27.765 34.298 3.535 1.00 0.00 H ATOM 1436 HG2 PRO A 88 27.800 33.503 1.943 1.00 0.00 H ATOM 1437 HB2 PRO A 88 26.032 34.907 1.110 1.00 0.00 H ATOM 1438 HB3 PRO A 88 27.117 36.016 1.981 1.00 0.00 H ATOM 1439 N ASP A 89 23.266 35.579 1.821 1.00 11.88 N ATOM 1440 CA ASP A 89 22.130 36.294 1.227 1.00 13.28 C ATOM 1441 C ASP A 89 21.038 36.601 2.249 1.00 12.37 C ATOM 1442 O ASP A 89 19.965 37.092 1.895 1.00 12.83 O ATOM 1443 CB ASP A 89 21.539 35.501 0.053 1.00 9.32 C ATOM 1444 CG ASP A 89 20.808 34.220 0.491 1.00 11.78 C ATOM 1445 OD1 ASP A 89 20.838 33.857 1.686 1.00 10.85 O ATOM 1446 OD2 ASP A 89 20.202 33.571 -0.384 1.00 15.03 O ATOM 1447 HA ASP A 89 22.517 37.245 0.861 1.00 0.00 H ATOM 1448 HB2 ASP A 89 20.831 36.140 -0.475 1.00 0.00 H ATOM 1449 HB3 ASP A 89 22.350 35.224 -0.621 1.00 0.00 H ATOM 1450 H ASP A 89 23.352 34.551 1.688 1.00 0.00 H ATOM 1451 N ASN A 90 21.336 36.308 3.514 1.00 10.27 N ATOM 1452 CA ASN A 90 20.427 36.524 4.647 1.00 13.79 C ATOM 1453 C ASN A 90 19.369 35.461 4.911 1.00 10.93 C ATOM 1454 O ASN A 90 18.650 35.552 5.906 1.00 13.45 O ATOM 1455 CB ASN A 90 19.745 37.887 4.560 1.00 10.45 C ATOM 1456 CG ASN A 90 20.677 39.019 4.940 1.00 14.04 C ATOM 1457 OD1 ASN A 90 21.652 38.814 5.674 1.00 17.26 O ATOM 1458 ND2 ASN A 90 20.385 40.217 4.454 1.00 12.39 N ATOM 1459 HA ASN A 90 21.106 36.462 5.498 1.00 0.00 H ATOM 1460 HB2 ASN A 90 19.401 38.043 3.537 1.00 0.00 H ATOM 1461 HB3 ASN A 90 18.889 37.895 5.235 1.00 0.00 H ATOM 1462 HD22 ASN A 90 19.554 40.341 3.841 1.00 0.00 H ATOM 1463 HD21 ASN A 90 20.986 41.033 4.686 1.00 0.00 H ATOM 1464 H ASN A 90 22.272 35.900 3.712 1.00 0.00 H ATOM 1465 N SER A 91 19.248 34.477 4.023 1.00 7.69 N ATOM 1466 CA SER A 91 18.295 33.397 4.243 1.00 9.41 C ATOM 1467 C SER A 91 18.847 32.594 5.426 1.00 9.19 C ATOM 1468 O SER A 91 20.067 32.464 5.584 1.00 9.82 O ATOM 1469 CB SER A 91 18.168 32.515 2.995 1.00 7.37 C ATOM 1470 OG SER A 91 19.411 31.964 2.634 1.00 4.82 O ATOM 1471 HA SER A 91 17.296 33.781 4.450 1.00 0.00 H ATOM 1472 HB2 SER A 91 17.793 33.119 2.169 1.00 0.00 H ATOM 1473 HB3 SER A 91 17.466 31.707 3.200 1.00 0.00 H ATOM 1474 HG SER A 91 20.051 32.694 2.442 1.00 0.00 H ATOM 1475 H SER A 91 19.838 34.479 3.166 1.00 0.00 H ATOM 1476 N PRO A 92 17.966 32.049 6.278 1.00 10.12 N ATOM 1477 CA PRO A 92 18.479 31.289 7.422 1.00 12.55 C ATOM 1478 C PRO A 92 19.220 30.030 7.016 1.00 11.50 C ATOM 1479 O PRO A 92 18.899 29.424 5.999 1.00 9.10 O ATOM 1480 CB PRO A 92 17.216 30.972 8.222 1.00 7.05 C ATOM 1481 CG PRO A 92 16.198 30.776 7.146 1.00 11.45 C ATOM 1482 CD PRO A 92 16.501 31.915 6.169 1.00 8.37 C ATOM 1483 HA PRO A 92 19.222 31.850 7.989 1.00 0.00 H ATOM 1484 HD3 PRO A 92 16.204 31.653 5.154 1.00 0.00 H ATOM 1485 HD2 PRO A 92 15.998 32.835 6.468 1.00 0.00 H ATOM 1486 HG3 PRO A 92 15.187 30.860 7.544 1.00 0.00 H ATOM 1487 HG2 PRO A 92 16.318 29.805 6.665 1.00 0.00 H ATOM 1488 HB2 PRO A 92 17.342 30.067 8.816 1.00 0.00 H ATOM 1489 HB3 PRO A 92 16.945 31.800 8.876 1.00 0.00 H ATOM 1490 N VAL A 93 20.227 29.663 7.801 1.00 10.28 N ATOM 1491 CA VAL A 93 20.964 28.437 7.540 1.00 10.69 C ATOM 1492 C VAL A 93 19.878 27.369 7.699 1.00 9.94 C ATOM 1493 O VAL A 93 19.164 27.331 8.714 1.00 7.62 O ATOM 1494 CB VAL A 93 22.081 28.224 8.578 1.00 9.04 C ATOM 1495 CG1 VAL A 93 22.789 26.904 8.326 1.00 7.33 C ATOM 1496 CG2 VAL A 93 23.070 29.387 8.510 1.00 11.81 C ATOM 1497 HA VAL A 93 21.461 28.429 6.570 1.00 0.00 H ATOM 1498 HB VAL A 93 21.644 28.190 9.576 1.00 0.00 H ATOM 1499 HG11 VAL A 93 22.071 26.088 8.402 1.00 0.00 H ATOM 1500 HG12 VAL A 93 23.227 26.913 7.328 1.00 0.00 H ATOM 1501 HG13 VAL A 93 23.576 26.768 9.068 1.00 0.00 H ATOM 1502 HG21 VAL A 93 23.505 29.434 7.512 1.00 0.00 H ATOM 1503 HG22 VAL A 93 22.548 30.319 8.724 1.00 0.00 H ATOM 1504 HG23 VAL A 93 23.860 29.234 9.246 1.00 0.00 H ATOM 1505 H VAL A 93 20.491 30.259 8.611 1.00 0.00 H ATOM 1506 N SER A 94 19.739 26.517 6.689 1.00 11.37 N ATOM 1507 CA SER A 94 18.695 25.499 6.708 1.00 13.08 C ATOM 1508 C SER A 94 19.109 24.249 5.929 1.00 13.13 C ATOM 1509 O SER A 94 19.964 24.320 5.040 1.00 12.90 O ATOM 1510 CB SER A 94 17.432 26.089 6.085 1.00 12.78 C ATOM 1511 OG SER A 94 16.357 25.165 6.071 1.00 20.86 O ATOM 1512 HA SER A 94 18.518 25.202 7.742 1.00 0.00 H ATOM 1513 HB2 SER A 94 17.652 26.386 5.060 1.00 0.00 H ATOM 1514 HB3 SER A 94 17.134 26.966 6.660 1.00 0.00 H ATOM 1515 HG SER A 94 16.616 24.368 5.544 1.00 0.00 H ATOM 1516 H SER A 94 20.383 26.577 5.875 1.00 0.00 H ATOM 1517 N SER A 95 18.504 23.121 6.292 1.00 11.63 N ATOM 1518 CA SER A 95 18.737 21.826 5.651 1.00 14.22 C ATOM 1519 C SER A 95 17.407 21.114 5.495 1.00 14.89 C ATOM 1520 O SER A 95 16.595 21.089 6.417 1.00 12.27 O ATOM 1521 CB SER A 95 19.662 20.938 6.488 1.00 16.63 C ATOM 1522 OG SER A 95 21.019 21.306 6.308 1.00 28.35 O ATOM 1523 HA SER A 95 19.210 22.006 4.686 1.00 0.00 H ATOM 1524 HB2 SER A 95 19.531 19.900 6.184 1.00 0.00 H ATOM 1525 HB3 SER A 95 19.401 21.043 7.541 1.00 0.00 H ATOM 1526 HG SER A 95 21.144 22.248 6.587 1.00 0.00 H ATOM 1527 H SER A 95 17.825 23.162 7.078 1.00 0.00 H ATOM 1528 N GLU A 96 17.204 20.527 4.318 1.00 13.16 N ATOM 1529 CA GLU A 96 15.979 19.814 3.983 1.00 14.50 C ATOM 1530 C GLU A 96 15.996 18.440 4.649 1.00 9.27 C ATOM 1531 O GLU A 96 16.972 17.709 4.550 1.00 11.77 O ATOM 1532 CB GLU A 96 15.901 19.671 2.454 1.00 20.24 C ATOM 1533 CG GLU A 96 14.540 19.324 1.900 1.00 29.93 C ATOM 1534 CD GLU A 96 14.573 19.141 0.391 1.00 32.98 C ATOM 1535 OE1 GLU A 96 15.377 19.834 -0.272 1.00 33.23 O ATOM 1536 OE2 GLU A 96 13.793 18.315 -0.132 1.00 35.42 O ATOM 1537 HA GLU A 96 15.107 20.362 4.340 1.00 0.00 H ATOM 1538 HB2 GLU A 96 16.212 20.618 2.012 1.00 0.00 H ATOM 1539 HB3 GLU A 96 16.595 18.886 2.154 1.00 0.00 H ATOM 1540 HG2 GLU A 96 14.197 18.397 2.360 1.00 0.00 H ATOM 1541 HG3 GLU A 96 13.845 20.128 2.143 1.00 0.00 H ATOM 1542 H GLU A 96 17.957 20.580 3.602 1.00 0.00 H ATOM 1543 N LEU A 97 14.910 18.084 5.321 1.00 7.46 N ATOM 1544 CA LEU A 97 14.839 16.795 6.000 1.00 6.46 C ATOM 1545 C LEU A 97 14.181 15.783 5.070 1.00 11.41 C ATOM 1546 O LEU A 97 13.450 16.173 4.157 1.00 12.47 O ATOM 1547 CB LEU A 97 14.036 16.943 7.291 1.00 3.62 C ATOM 1548 CG LEU A 97 14.602 17.938 8.323 1.00 8.14 C ATOM 1549 CD1 LEU A 97 13.674 18.053 9.520 1.00 6.65 C ATOM 1550 CD2 LEU A 97 15.979 17.466 8.764 1.00 4.16 C ATOM 1551 HA LEU A 97 15.840 16.446 6.254 1.00 0.00 H ATOM 1552 HB2 LEU A 97 13.032 17.272 7.025 1.00 0.00 H ATOM 1553 HB3 LEU A 97 13.982 15.963 7.766 1.00 0.00 H ATOM 1554 HG LEU A 97 14.684 18.924 7.866 1.00 0.00 H ATOM 1555 HD21 LEU A 97 15.896 16.477 9.214 1.00 0.00 H ATOM 1556 HD22 LEU A 97 16.640 17.418 7.898 1.00 0.00 H ATOM 1557 HD23 LEU A 97 16.385 18.166 9.494 1.00 0.00 H ATOM 1558 HD11 LEU A 97 12.697 18.405 9.188 1.00 0.00 H ATOM 1559 HD12 LEU A 97 13.569 17.076 9.992 1.00 0.00 H ATOM 1560 HD13 LEU A 97 14.093 18.760 10.236 1.00 0.00 H ATOM 1561 H LEU A 97 14.098 18.732 5.365 1.00 0.00 H ATOM 1562 N GLN A 98 14.440 14.495 5.295 1.00 10.72 N ATOM 1563 CA GLN A 98 13.853 13.441 4.472 1.00 11.20 C ATOM 1564 C GLN A 98 12.738 12.712 5.219 1.00 13.30 C ATOM 1565 O GLN A 98 12.958 12.166 6.302 1.00 11.56 O ATOM 1566 CB GLN A 98 14.921 12.427 4.064 1.00 15.33 C ATOM 1567 CG GLN A 98 14.391 11.293 3.188 1.00 25.14 C ATOM 1568 CD GLN A 98 15.491 10.344 2.737 1.00 29.59 C ATOM 1569 OE1 GLN A 98 16.050 9.592 3.537 1.00 34.34 O ATOM 1570 NE2 GLN A 98 15.813 10.385 1.452 1.00 34.64 N ATOM 1571 HA GLN A 98 13.434 13.915 3.584 1.00 0.00 H ATOM 1572 HB2 GLN A 98 15.701 12.952 3.513 1.00 0.00 H ATOM 1573 HB3 GLN A 98 15.347 11.993 4.969 1.00 0.00 H ATOM 1574 HG2 GLN A 98 13.652 10.728 3.756 1.00 0.00 H ATOM 1575 HG3 GLN A 98 13.917 11.724 2.306 1.00 0.00 H ATOM 1576 HE22 GLN A 98 15.315 11.036 0.812 1.00 0.00 H ATOM 1577 HE21 GLN A 98 16.564 9.767 1.084 1.00 0.00 H ATOM 1578 H GLN A 98 15.076 14.234 6.076 1.00 0.00 H ATOM 1579 N GLU A 99 11.539 12.706 4.649 1.00 12.11 N ATOM 1580 CA GLU A 99 10.425 12.023 5.288 1.00 13.92 C ATOM 1581 C GLU A 99 10.711 10.525 5.256 1.00 14.15 C ATOM 1582 O GLU A 99 11.026 9.970 4.202 1.00 18.31 O ATOM 1583 CB GLU A 99 9.119 12.345 4.558 1.00 16.32 C ATOM 1584 CG GLU A 99 7.876 11.677 5.144 1.00 19.70 C ATOM 1585 CD GLU A 99 6.605 12.053 4.388 1.00 22.98 C ATOM 1586 OE1 GLU A 99 5.779 11.157 4.128 1.00 21.72 O ATOM 1587 OE2 GLU A 99 6.423 13.246 4.056 1.00 24.07 O ATOM 1588 HA GLU A 99 10.315 12.356 6.320 1.00 0.00 H ATOM 1589 HB2 GLU A 99 8.970 13.424 4.588 1.00 0.00 H ATOM 1590 HB3 GLU A 99 9.221 12.023 3.522 1.00 0.00 H ATOM 1591 HG2 GLU A 99 8.004 10.596 5.098 1.00 0.00 H ATOM 1592 HG3 GLU A 99 7.770 11.985 6.184 1.00 0.00 H ATOM 1593 H GLU A 99 11.395 13.192 3.741 1.00 0.00 H ATOM 1594 N VAL A 100 10.627 9.878 6.415 1.00 10.70 N ATOM 1595 CA VAL A 100 10.889 8.448 6.512 1.00 11.76 C ATOM 1596 C VAL A 100 9.672 7.661 6.991 1.00 12.13 C ATOM 1597 O VAL A 100 9.661 6.434 6.955 1.00 11.95 O ATOM 1598 CB VAL A 100 12.089 8.143 7.464 1.00 8.36 C ATOM 1599 CG1 VAL A 100 13.389 8.630 6.846 1.00 14.08 C ATOM 1600 CG2 VAL A 100 11.873 8.791 8.816 1.00 10.22 C ATOM 1601 HA VAL A 100 11.136 8.128 5.500 1.00 0.00 H ATOM 1602 HB VAL A 100 12.152 7.064 7.605 1.00 0.00 H ATOM 1603 HG11 VAL A 100 13.550 8.122 5.895 1.00 0.00 H ATOM 1604 HG12 VAL A 100 13.330 9.706 6.680 1.00 0.00 H ATOM 1605 HG13 VAL A 100 14.216 8.410 7.522 1.00 0.00 H ATOM 1606 HG21 VAL A 100 11.786 9.870 8.690 1.00 0.00 H ATOM 1607 HG22 VAL A 100 10.958 8.401 9.263 1.00 0.00 H ATOM 1608 HG23 VAL A 100 12.720 8.567 9.464 1.00 0.00 H ATOM 1609 H VAL A 100 10.368 10.406 7.273 1.00 0.00 H ATOM 1610 N PHE A 101 8.640 8.370 7.426 1.00 14.73 N ATOM 1611 CA PHE A 101 7.429 7.723 7.907 1.00 14.61 C ATOM 1612 C PHE A 101 6.266 8.706 7.906 1.00 16.37 C ATOM 1613 O PHE A 101 6.435 9.885 8.207 1.00 13.93 O ATOM 1614 CB PHE A 101 7.656 7.194 9.326 1.00 15.58 C ATOM 1615 CG PHE A 101 6.416 6.653 9.984 1.00 17.19 C ATOM 1616 CD1 PHE A 101 5.804 5.498 9.505 1.00 16.06 C ATOM 1617 CD2 PHE A 101 5.871 7.291 11.091 1.00 15.96 C ATOM 1618 CE1 PHE A 101 4.661 4.980 10.123 1.00 15.73 C ATOM 1619 CE2 PHE A 101 4.728 6.785 11.720 1.00 16.45 C ATOM 1620 CZ PHE A 101 4.126 5.627 11.233 1.00 12.37 C ATOM 1621 HA PHE A 101 7.187 6.893 7.243 1.00 0.00 H ATOM 1622 HB2 PHE A 101 8.396 6.395 9.280 1.00 0.00 H ATOM 1623 HB3 PHE A 101 8.041 8.009 9.938 1.00 0.00 H ATOM 1624 HD2 PHE A 101 6.340 8.197 11.475 1.00 0.00 H ATOM 1625 HE2 PHE A 101 4.310 7.295 12.588 1.00 0.00 H ATOM 1626 HZ PHE A 101 3.237 5.228 11.721 1.00 0.00 H ATOM 1627 HE1 PHE A 101 4.192 4.075 9.737 1.00 0.00 H ATOM 1628 HD1 PHE A 101 6.222 4.990 8.636 1.00 0.00 H ATOM 1629 H PHE A 101 8.697 9.408 7.423 1.00 0.00 H ATOM 1630 N TYR A 102 5.090 8.216 7.537 1.00 16.48 N ATOM 1631 CA TYR A 102 3.889 9.037 7.533 1.00 18.39 C ATOM 1632 C TYR A 102 2.649 8.168 7.660 1.00 16.20 C ATOM 1633 O TYR A 102 2.385 7.321 6.812 1.00 14.98 O ATOM 1634 CB TYR A 102 3.781 9.888 6.267 1.00 20.12 C ATOM 1635 CG TYR A 102 2.607 10.829 6.352 1.00 23.96 C ATOM 1636 CD1 TYR A 102 1.368 10.483 5.823 1.00 26.16 C ATOM 1637 CD2 TYR A 102 2.718 12.038 7.031 1.00 27.80 C ATOM 1638 CE1 TYR A 102 0.263 11.322 5.970 1.00 30.52 C ATOM 1639 CE2 TYR A 102 1.623 12.883 7.187 1.00 30.92 C ATOM 1640 CZ TYR A 102 0.398 12.521 6.654 1.00 31.16 C ATOM 1641 OH TYR A 102 -0.687 13.358 6.805 1.00 33.44 O ATOM 1642 HA TYR A 102 3.960 9.707 8.390 1.00 0.00 H ATOM 1643 HB3 TYR A 102 3.652 9.233 5.406 1.00 0.00 H ATOM 1644 HB2 TYR A 102 4.696 10.468 6.147 1.00 0.00 H ATOM 1645 HD2 TYR A 102 3.682 12.329 7.449 1.00 0.00 H ATOM 1646 HE2 TYR A 102 1.730 13.824 7.726 1.00 0.00 H ATOM 1647 HE1 TYR A 102 -0.701 11.037 5.550 1.00 0.00 H ATOM 1648 HD1 TYR A 102 1.259 9.541 5.285 1.00 0.00 H ATOM 1649 HH TYR A 102 -1.478 12.953 6.369 1.00 0.00 H ATOM 1650 H TYR A 102 5.025 7.220 7.243 1.00 0.00 H ATOM 1651 N LEU A 103 1.897 8.385 8.730 1.00 16.54 N ATOM 1652 CA LEU A 103 0.674 7.625 8.997 1.00 16.52 C ATOM 1653 C LEU A 103 -0.475 8.608 9.156 1.00 15.47 C ATOM 1654 O LEU A 103 -0.618 9.247 10.196 1.00 14.42 O ATOM 1655 CB LEU A 103 0.838 6.801 10.283 1.00 17.57 C ATOM 1656 CG LEU A 103 -0.390 6.098 10.882 1.00 15.56 C ATOM 1657 CD1 LEU A 103 -1.014 5.178 9.851 1.00 17.14 C ATOM 1658 CD2 LEU A 103 0.020 5.310 12.116 1.00 15.20 C ATOM 1659 HA LEU A 103 0.472 6.942 8.172 1.00 0.00 H ATOM 1660 HB2 LEU A 103 1.578 6.028 10.075 1.00 0.00 H ATOM 1661 HB3 LEU A 103 1.224 7.476 11.047 1.00 0.00 H ATOM 1662 HG LEU A 103 -1.127 6.847 11.172 1.00 0.00 H ATOM 1663 HD21 LEU A 103 0.764 4.564 11.838 1.00 0.00 H ATOM 1664 HD22 LEU A 103 0.444 5.990 12.855 1.00 0.00 H ATOM 1665 HD23 LEU A 103 -0.855 4.814 12.536 1.00 0.00 H ATOM 1666 HD11 LEU A 103 -1.322 5.762 8.984 1.00 0.00 H ATOM 1667 HD12 LEU A 103 -0.284 4.428 9.546 1.00 0.00 H ATOM 1668 HD13 LEU A 103 -1.883 4.684 10.285 1.00 0.00 H ATOM 1669 H LEU A 103 2.186 9.122 9.404 1.00 0.00 H ATOM 1670 N PRO A 104 -1.305 8.754 8.119 1.00 14.80 N ATOM 1671 CA PRO A 104 -2.433 9.685 8.199 1.00 15.83 C ATOM 1672 C PRO A 104 -3.262 9.530 9.486 1.00 13.33 C ATOM 1673 O PRO A 104 -3.448 8.388 9.948 1.00 14.91 O ATOM 1674 CB PRO A 104 -3.231 9.351 6.939 1.00 17.03 C ATOM 1675 CG PRO A 104 -2.164 8.912 5.972 1.00 12.22 C ATOM 1676 CD PRO A 104 -1.298 8.034 6.831 1.00 18.51 C ATOM 1677 HA PRO A 104 -2.116 10.727 8.245 1.00 0.00 H ATOM 1678 HD3 PRO A 104 -1.725 7.036 6.933 1.00 0.00 H ATOM 1679 HD2 PRO A 104 -0.289 7.957 6.427 1.00 0.00 H ATOM 1680 HG3 PRO A 104 -1.604 9.764 5.587 1.00 0.00 H ATOM 1681 HG2 PRO A 104 -2.591 8.353 5.139 1.00 0.00 H ATOM 1682 HB2 PRO A 104 -3.944 8.549 7.127 1.00 0.00 H ATOM 1683 HB3 PRO A 104 -3.762 10.227 6.567 1.00 0.00 H ATOM 1684 OXT PRO A 104 -3.720 10.560 10.021 1.00 11.99 O TER 1685 PRO A 104 ATOM 1686 N MET B 1 -6.920 19.082 17.092 1.00 34.46 N ATOM 1687 CA MET B 1 -6.389 18.135 18.114 1.00 33.37 C ATOM 1688 C MET B 1 -5.147 18.716 18.771 1.00 32.87 C ATOM 1689 O MET B 1 -4.764 19.853 18.499 1.00 34.80 O ATOM 1690 CB MET B 1 -6.029 16.808 17.452 1.00 34.88 C ATOM 1691 CG MET B 1 -7.173 16.182 16.683 1.00 35.39 C ATOM 1692 SD MET B 1 -6.714 14.626 15.926 1.00 34.96 S ATOM 1693 CE MET B 1 -6.419 15.146 14.238 1.00 31.92 C ATOM 1694 HA MET B 1 -7.156 17.972 18.871 1.00 0.00 H ATOM 1695 HB2 MET B 1 -5.203 16.980 16.762 1.00 0.00 H ATOM 1696 HB3 MET B 1 -5.713 16.111 18.228 1.00 0.00 H ATOM 1697 HG2 MET B 1 -7.489 16.872 15.901 1.00 0.00 H ATOM 1698 HG3 MET B 1 -8.002 16.007 17.369 1.00 0.00 H ATOM 1699 HE1 MET B 1 -7.331 15.579 13.828 1.00 0.00 H ATOM 1700 HE2 MET B 1 -5.623 15.891 14.222 1.00 0.00 H ATOM 1701 HE3 MET B 1 -6.123 14.284 13.640 1.00 0.00 H ATOM 1702 HN3 MET B 1 -6.195 19.248 16.365 1.00 0.00 H ATOM 1703 HN2 MET B 1 -7.166 19.983 17.550 1.00 0.00 H ATOM 1704 HN1 MET B 1 -7.768 18.674 16.650 1.00 0.00 H ATOM 1705 N ILE B 2 -4.517 17.931 19.636 1.00 29.80 N ATOM 1706 CA ILE B 2 -3.307 18.380 20.302 1.00 28.97 C ATOM 1707 C ILE B 2 -2.114 18.077 19.400 1.00 28.69 C ATOM 1708 O ILE B 2 -1.907 16.928 19.006 1.00 29.78 O ATOM 1709 CB ILE B 2 -3.096 17.653 21.650 1.00 29.55 C ATOM 1710 CG1 ILE B 2 -4.256 17.950 22.603 1.00 28.68 C ATOM 1711 CG2 ILE B 2 -1.774 18.071 22.269 1.00 28.92 C ATOM 1712 CD1 ILE B 2 -5.493 17.106 22.349 1.00 34.50 C ATOM 1713 HA ILE B 2 -3.400 19.449 20.496 1.00 0.00 H ATOM 1714 HB ILE B 2 -3.069 16.579 21.469 1.00 0.00 H ATOM 1715 HG12 ILE B 2 -3.918 17.766 23.623 1.00 0.00 H ATOM 1716 HG13 ILE B 2 -4.529 19.000 22.496 1.00 0.00 H ATOM 1717 HD11 ILE B 2 -5.853 17.286 21.336 1.00 0.00 H ATOM 1718 HD12 ILE B 2 -5.242 16.052 22.464 1.00 0.00 H ATOM 1719 HD13 ILE B 2 -6.269 17.376 23.065 1.00 0.00 H ATOM 1720 HG21 ILE B 2 -0.960 17.813 21.592 1.00 0.00 H ATOM 1721 HG22 ILE B 2 -1.779 19.147 22.440 1.00 0.00 H ATOM 1722 HG23 ILE B 2 -1.638 17.552 23.218 1.00 0.00 H ATOM 1723 H ILE B 2 -4.894 16.983 19.839 1.00 0.00 H ATOM 1724 N ARG B 3 -1.345 19.104 19.051 1.00 27.20 N ATOM 1725 CA ARG B 3 -0.162 18.907 18.215 1.00 27.15 C ATOM 1726 C ARG B 3 1.035 18.596 19.103 1.00 26.13 C ATOM 1727 O ARG B 3 1.357 19.357 20.015 1.00 27.23 O ATOM 1728 CB ARG B 3 0.157 20.155 17.384 1.00 26.16 C ATOM 1729 CG ARG B 3 -0.671 20.312 16.117 1.00 26.58 C ATOM 1730 CD ARG B 3 -0.062 21.368 15.194 1.00 26.87 C ATOM 1731 NE ARG B 3 -0.042 22.697 15.801 1.00 26.68 N ATOM 1732 CZ ARG B 3 -1.115 23.467 15.967 1.00 28.89 C ATOM 1733 NH1 ARG B 3 -2.311 23.051 15.571 1.00 28.80 N ATOM 1734 NH2 ARG B 3 -0.994 24.657 16.543 1.00 28.61 N ATOM 1735 HA ARG B 3 -0.367 18.081 17.535 1.00 0.00 H ATOM 1736 HB2 ARG B 3 -0.013 21.031 18.010 1.00 0.00 H ATOM 1737 HB3 ARG B 3 1.208 20.112 17.098 1.00 0.00 H ATOM 1738 HG2 ARG B 3 -0.706 19.357 15.593 1.00 0.00 H ATOM 1739 HG3 ARG B 3 -1.683 20.614 16.387 1.00 0.00 H ATOM 1740 HD2 ARG B 3 -0.649 21.411 14.277 1.00 0.00 H ATOM 1741 HD3 ARG B 3 0.961 21.077 14.956 1.00 0.00 H ATOM 1742 HE ARG B 3 0.874 23.067 16.126 1.00 0.00 H ATOM 1743 HH12 ARG B 3 -3.144 23.659 15.705 1.00 0.00 H ATOM 1744 HH11 ARG B 3 -2.416 22.116 15.127 1.00 0.00 H ATOM 1745 HH22 ARG B 3 -1.832 25.259 16.673 1.00 0.00 H ATOM 1746 HH21 ARG B 3 -0.061 24.987 16.864 1.00 0.00 H ATOM 1747 H ARG B 3 -1.589 20.061 19.377 1.00 0.00 H ATOM 1748 N LYS B 4 1.681 17.468 18.842 1.00 22.40 N ATOM 1749 CA LYS B 4 2.847 17.070 19.609 1.00 24.28 C ATOM 1750 C LYS B 4 4.042 16.842 18.686 1.00 23.16 C ATOM 1751 O LYS B 4 3.918 16.215 17.629 1.00 23.38 O ATOM 1752 CB LYS B 4 2.561 15.790 20.397 1.00 25.80 C ATOM 1753 CG LYS B 4 1.670 15.981 21.616 1.00 31.04 C ATOM 1754 CD LYS B 4 1.505 14.674 22.387 1.00 32.01 C ATOM 1755 CE LYS B 4 2.757 14.285 23.165 1.00 32.50 C ATOM 1756 NZ LYS B 4 2.956 15.153 24.352 1.00 33.04 N ATOM 1757 HA LYS B 4 3.082 17.874 20.307 1.00 0.00 H ATOM 1758 HB2 LYS B 4 2.074 15.080 19.728 1.00 0.00 H ATOM 1759 HB3 LYS B 4 3.512 15.377 20.733 1.00 0.00 H ATOM 1760 HG2 LYS B 4 2.119 16.727 22.272 1.00 0.00 H ATOM 1761 HG3 LYS B 4 0.690 16.328 21.290 1.00 0.00 H ATOM 1762 HD2 LYS B 4 0.679 14.785 23.089 1.00 0.00 H ATOM 1763 HD3 LYS B 4 1.273 13.878 21.679 1.00 0.00 H ATOM 1764 HE2 LYS B 4 3.623 14.377 22.510 1.00 0.00 H ATOM 1765 HE3 LYS B 4 2.661 13.251 23.495 1.00 0.00 H ATOM 1766 HZ1 LYS B 4 3.054 16.142 24.044 1.00 0.00 H ATOM 1767 HZ2 LYS B 4 2.136 15.066 24.985 1.00 0.00 H ATOM 1768 HZ3 LYS B 4 3.817 14.858 24.855 1.00 0.00 H ATOM 1769 H LYS B 4 1.345 16.856 18.071 1.00 0.00 H ATOM 1770 N ALA B 5 5.197 17.363 19.084 1.00 20.01 N ATOM 1771 CA ALA B 5 6.418 17.191 18.309 1.00 16.42 C ATOM 1772 C ALA B 5 7.546 16.786 19.243 1.00 17.48 C ATOM 1773 O ALA B 5 7.649 17.277 20.374 1.00 16.26 O ATOM 1774 CB ALA B 5 6.776 18.474 17.587 1.00 16.67 C ATOM 1775 HA ALA B 5 6.262 16.413 17.562 1.00 0.00 H ATOM 1776 HB1 ALA B 5 5.965 18.749 16.913 1.00 0.00 H ATOM 1777 HB2 ALA B 5 6.929 19.269 18.316 1.00 0.00 H ATOM 1778 HB3 ALA B 5 7.691 18.324 17.014 1.00 0.00 H ATOM 1779 H ALA B 5 5.230 17.907 19.970 1.00 0.00 H ATOM 1780 N PHE B 6 8.381 15.866 18.784 1.00 12.67 N ATOM 1781 CA PHE B 6 9.501 15.432 19.598 1.00 14.91 C ATOM 1782 C PHE B 6 10.649 15.046 18.698 1.00 11.44 C ATOM 1783 O PHE B 6 10.481 14.900 17.490 1.00 10.69 O ATOM 1784 CB PHE B 6 9.109 14.248 20.491 1.00 14.04 C ATOM 1785 CG PHE B 6 8.421 13.128 19.759 1.00 15.59 C ATOM 1786 CD1 PHE B 6 7.068 13.211 19.441 1.00 16.65 C ATOM 1787 CD2 PHE B 6 9.124 11.969 19.412 1.00 18.83 C ATOM 1788 CE1 PHE B 6 6.420 12.148 18.792 1.00 16.19 C ATOM 1789 CE2 PHE B 6 8.489 10.900 18.764 1.00 15.29 C ATOM 1790 CZ PHE B 6 7.136 10.988 18.455 1.00 14.79 C ATOM 1791 HA PHE B 6 9.802 16.254 20.247 1.00 0.00 H ATOM 1792 HB2 PHE B 6 10.014 13.852 20.951 1.00 0.00 H ATOM 1793 HB3 PHE B 6 8.438 14.613 21.268 1.00 0.00 H ATOM 1794 HD2 PHE B 6 10.185 11.896 19.650 1.00 0.00 H ATOM 1795 HE2 PHE B 6 9.053 10.004 18.504 1.00 0.00 H ATOM 1796 HZ PHE B 6 6.634 10.161 17.954 1.00 0.00 H ATOM 1797 HE1 PHE B 6 5.360 12.223 18.549 1.00 0.00 H ATOM 1798 HD1 PHE B 6 6.507 14.109 19.698 1.00 0.00 H ATOM 1799 H PHE B 6 8.234 15.455 17.840 1.00 0.00 H ATOM 1800 N VAL B 7 11.820 14.878 19.291 1.00 8.93 N ATOM 1801 CA VAL B 7 12.989 14.508 18.521 1.00 7.72 C ATOM 1802 C VAL B 7 13.684 13.310 19.149 1.00 8.15 C ATOM 1803 O VAL B 7 13.797 13.203 20.373 1.00 8.68 O ATOM 1804 CB VAL B 7 13.974 15.692 18.413 1.00 8.23 C ATOM 1805 CG1 VAL B 7 14.223 16.272 19.792 1.00 9.09 C ATOM 1806 CG2 VAL B 7 15.284 15.234 17.764 1.00 8.22 C ATOM 1807 HA VAL B 7 12.659 14.239 17.518 1.00 0.00 H ATOM 1808 HB VAL B 7 13.541 16.468 17.782 1.00 0.00 H ATOM 1809 HG11 VAL B 7 13.280 16.621 20.214 1.00 0.00 H ATOM 1810 HG12 VAL B 7 14.648 15.503 20.437 1.00 0.00 H ATOM 1811 HG13 VAL B 7 14.919 17.108 19.713 1.00 0.00 H ATOM 1812 HG21 VAL B 7 15.734 14.449 18.372 1.00 0.00 H ATOM 1813 HG22 VAL B 7 15.078 14.849 16.765 1.00 0.00 H ATOM 1814 HG23 VAL B 7 15.969 16.079 17.695 1.00 0.00 H ATOM 1815 H VAL B 7 11.901 15.013 20.319 1.00 0.00 H ATOM 1816 N MET B 8 14.120 12.397 18.296 1.00 8.45 N ATOM 1817 CA MET B 8 14.835 11.208 18.721 1.00 8.61 C ATOM 1818 C MET B 8 16.138 11.182 17.930 1.00 8.17 C ATOM 1819 O MET B 8 16.409 12.092 17.140 1.00 5.85 O ATOM 1820 CB MET B 8 14.004 9.969 18.407 1.00 10.38 C ATOM 1821 CG MET B 8 12.587 10.026 18.982 1.00 12.33 C ATOM 1822 SD MET B 8 11.553 8.710 18.318 1.00 11.61 S ATOM 1823 CE MET B 8 11.405 9.244 16.597 1.00 11.07 C ATOM 1824 HA MET B 8 15.028 11.219 19.794 1.00 0.00 H ATOM 1825 HB2 MET B 8 13.934 9.865 17.324 1.00 0.00 H ATOM 1826 HB3 MET B 8 14.511 9.098 18.822 1.00 0.00 H ATOM 1827 HG2 MET B 8 12.141 10.988 18.731 1.00 0.00 H ATOM 1828 HG3 MET B 8 12.640 9.923 20.066 1.00 0.00 H ATOM 1829 HE1 MET B 8 10.939 10.229 16.562 1.00 0.00 H ATOM 1830 HE2 MET B 8 12.396 9.294 16.147 1.00 0.00 H ATOM 1831 HE3 MET B 8 10.790 8.530 16.048 1.00 0.00 H ATOM 1832 H MET B 8 13.943 12.537 17.281 1.00 0.00 H ATOM 1833 N GLN B 9 16.943 10.147 18.132 1.00 8.14 N ATOM 1834 CA GLN B 9 18.217 10.015 17.413 1.00 8.14 C ATOM 1835 C GLN B 9 18.205 8.691 16.659 1.00 7.35 C ATOM 1836 O GLN B 9 17.349 7.844 16.898 1.00 8.19 O ATOM 1837 CB GLN B 9 19.397 9.992 18.394 1.00 8.25 C ATOM 1838 CG GLN B 9 19.628 11.256 19.195 1.00 6.99 C ATOM 1839 CD GLN B 9 20.662 11.033 20.277 1.00 13.99 C ATOM 1840 OE1 GLN B 9 21.808 10.686 19.990 1.00 19.32 O ATOM 1841 NE2 GLN B 9 20.263 11.217 21.528 1.00 17.29 N ATOM 1842 HA GLN B 9 18.330 10.862 16.737 1.00 0.00 H ATOM 1843 HB2 GLN B 9 19.227 9.178 19.099 1.00 0.00 H ATOM 1844 HB3 GLN B 9 20.302 9.792 17.821 1.00 0.00 H ATOM 1845 HG2 GLN B 9 19.976 12.043 18.526 1.00 0.00 H ATOM 1846 HG3 GLN B 9 18.689 11.562 19.657 1.00 0.00 H ATOM 1847 HE22 GLN B 9 19.285 11.511 21.724 1.00 0.00 H ATOM 1848 HE21 GLN B 9 20.928 11.068 22.313 1.00 0.00 H ATOM 1849 H GLN B 9 16.666 9.413 18.815 1.00 0.00 H ATOM 1850 N VAL B 10 19.160 8.521 15.755 1.00 5.52 N ATOM 1851 CA VAL B 10 19.286 7.292 14.989 1.00 7.76 C ATOM 1852 C VAL B 10 20.775 7.002 14.811 1.00 7.27 C ATOM 1853 O VAL B 10 21.582 7.920 14.689 1.00 10.29 O ATOM 1854 CB VAL B 10 18.584 7.398 13.604 1.00 5.45 C ATOM 1855 CG1 VAL B 10 19.203 8.500 12.780 1.00 10.08 C ATOM 1856 CG2 VAL B 10 18.692 6.064 12.862 1.00 6.60 C ATOM 1857 HA VAL B 10 18.796 6.480 15.527 1.00 0.00 H ATOM 1858 HB VAL B 10 17.532 7.634 13.763 1.00 0.00 H ATOM 1859 HG11 VAL B 10 19.096 9.449 13.305 1.00 0.00 H ATOM 1860 HG12 VAL B 10 20.261 8.286 12.626 1.00 0.00 H ATOM 1861 HG13 VAL B 10 18.698 8.558 11.816 1.00 0.00 H ATOM 1862 HG21 VAL B 10 19.743 5.816 12.715 1.00 0.00 H ATOM 1863 HG22 VAL B 10 18.211 5.282 13.450 1.00 0.00 H ATOM 1864 HG23 VAL B 10 18.198 6.147 11.894 1.00 0.00 H ATOM 1865 H VAL B 10 19.840 9.290 15.589 1.00 0.00 H ATOM 1866 N ASN B 11 21.140 5.725 14.832 1.00 7.97 N ATOM 1867 CA ASN B 11 22.533 5.334 14.681 1.00 7.90 C ATOM 1868 C ASN B 11 23.048 5.846 13.337 1.00 5.58 C ATOM 1869 O ASN B 11 22.342 5.795 12.348 1.00 6.74 O ATOM 1870 CB ASN B 11 22.658 3.811 14.787 1.00 7.03 C ATOM 1871 CG ASN B 11 22.425 3.303 16.211 1.00 8.65 C ATOM 1872 OD1 ASN B 11 22.389 2.096 16.461 1.00 5.74 O ATOM 1873 ND2 ASN B 11 22.267 4.227 17.148 1.00 4.29 N ATOM 1874 HA ASN B 11 23.138 5.772 15.475 1.00 0.00 H ATOM 1875 HB2 ASN B 11 21.922 3.353 14.127 1.00 0.00 H ATOM 1876 HB3 ASN B 11 23.659 3.519 14.471 1.00 0.00 H ATOM 1877 HD22 ASN B 11 22.304 5.235 16.896 1.00 0.00 H ATOM 1878 HD21 ASN B 11 22.106 3.944 18.136 1.00 0.00 H ATOM 1879 H ASN B 11 20.415 4.990 14.959 1.00 0.00 H ATOM 1880 N PRO B 12 24.286 6.358 13.294 1.00 7.16 N ATOM 1881 CA PRO B 12 24.801 6.868 12.023 1.00 4.70 C ATOM 1882 C PRO B 12 24.802 5.861 10.873 1.00 3.86 C ATOM 1883 O PRO B 12 24.606 6.237 9.721 1.00 3.23 O ATOM 1884 CB PRO B 12 26.198 7.346 12.393 1.00 7.97 C ATOM 1885 CG PRO B 12 26.617 6.373 13.448 1.00 7.25 C ATOM 1886 CD PRO B 12 25.364 6.280 14.304 1.00 6.77 C ATOM 1887 HA PRO B 12 24.161 7.651 11.617 1.00 0.00 H ATOM 1888 HD3 PRO B 12 25.327 5.337 14.849 1.00 0.00 H ATOM 1889 HD2 PRO B 12 25.305 7.109 15.010 1.00 0.00 H ATOM 1890 HG3 PRO B 12 27.463 6.750 14.022 1.00 0.00 H ATOM 1891 HG2 PRO B 12 26.875 5.406 13.016 1.00 0.00 H ATOM 1892 HB2 PRO B 12 26.867 7.305 11.534 1.00 0.00 H ATOM 1893 HB3 PRO B 12 26.174 8.363 12.785 1.00 0.00 H ATOM 1894 N ASP B 13 24.981 4.581 11.186 1.00 4.07 N ATOM 1895 CA ASP B 13 25.033 3.544 10.151 1.00 9.32 C ATOM 1896 C ASP B 13 23.687 2.853 9.878 1.00 7.91 C ATOM 1897 O ASP B 13 23.632 1.846 9.176 1.00 10.89 O ATOM 1898 CB ASP B 13 26.088 2.491 10.542 1.00 9.36 C ATOM 1899 CG ASP B 13 25.701 1.701 11.803 1.00 14.29 C ATOM 1900 OD1 ASP B 13 24.984 2.239 12.675 1.00 16.21 O ATOM 1901 OD2 ASP B 13 26.122 0.530 11.930 1.00 17.83 O ATOM 1902 HA ASP B 13 25.302 4.049 9.223 1.00 0.00 H ATOM 1903 HB2 ASP B 13 26.206 1.791 9.715 1.00 0.00 H ATOM 1904 HB3 ASP B 13 27.035 2.998 10.725 1.00 0.00 H ATOM 1905 H ASP B 13 25.086 4.310 12.185 1.00 0.00 H ATOM 1906 N ALA B 14 22.598 3.391 10.409 1.00 7.81 N ATOM 1907 CA ALA B 14 21.302 2.745 10.203 1.00 7.15 C ATOM 1908 C ALA B 14 20.237 3.628 9.564 1.00 8.10 C ATOM 1909 O ALA B 14 19.043 3.386 9.749 1.00 8.57 O ATOM 1910 CB ALA B 14 20.787 2.191 11.539 1.00 6.95 C ATOM 1911 HA ALA B 14 21.482 1.944 9.485 1.00 0.00 H ATOM 1912 HB1 ALA B 14 21.499 1.462 11.927 1.00 0.00 H ATOM 1913 HB2 ALA B 14 20.677 3.008 12.251 1.00 0.00 H ATOM 1914 HB3 ALA B 14 19.821 1.710 11.383 1.00 0.00 H ATOM 1915 H ALA B 14 22.665 4.266 10.968 1.00 0.00 H ATOM 1916 N HIS B 15 20.658 4.646 8.812 1.00 10.71 N ATOM 1917 CA HIS B 15 19.714 5.554 8.153 1.00 7.58 C ATOM 1918 C HIS B 15 18.791 4.796 7.205 1.00 8.43 C ATOM 1919 O HIS B 15 17.569 4.955 7.277 1.00 6.88 O ATOM 1920 CB HIS B 15 20.456 6.638 7.359 1.00 9.83 C ATOM 1921 CG HIS B 15 21.077 7.702 8.212 1.00 8.87 C ATOM 1922 ND1 HIS B 15 21.368 7.513 9.548 1.00 7.07 N ATOM 1923 CD2 HIS B 15 21.538 8.937 7.898 1.00 7.26 C ATOM 1924 CE1 HIS B 15 21.987 8.585 10.016 1.00 4.89 C ATOM 1925 NE2 HIS B 15 22.105 9.462 9.035 1.00 6.59 N ATOM 1926 HA HIS B 15 19.120 6.021 8.938 1.00 0.00 H ATOM 1927 HB2 HIS B 15 21.245 6.159 6.780 1.00 0.00 H ATOM 1928 HB3 HIS B 15 19.747 7.113 6.681 1.00 0.00 H ATOM 1929 HD2 HIS B 15 21.472 9.424 6.925 1.00 0.00 H ATOM 1930 HE1 HIS B 15 22.340 8.721 11.038 1.00 0.00 H ATOM 1931 H HIS B 15 21.679 4.799 8.690 1.00 0.00 H ATOM 1932 N GLU B 16 19.370 4.004 6.298 1.00 6.66 N ATOM 1933 CA GLU B 16 18.573 3.227 5.349 1.00 5.88 C ATOM 1934 C GLU B 16 17.698 2.182 6.068 1.00 4.67 C ATOM 1935 O GLU B 16 16.509 2.047 5.774 1.00 3.61 O ATOM 1936 CB GLU B 16 19.475 2.500 4.336 1.00 5.04 C ATOM 1937 CG GLU B 16 18.689 1.712 3.297 1.00 10.64 C ATOM 1938 CD GLU B 16 19.563 0.816 2.421 1.00 15.23 C ATOM 1939 OE1 GLU B 16 20.769 1.118 2.267 1.00 13.62 O ATOM 1940 OE2 GLU B 16 19.030 -0.179 1.868 1.00 11.04 O ATOM 1941 HA GLU B 16 17.929 3.935 4.827 1.00 0.00 H ATOM 1942 HB2 GLU B 16 20.086 3.241 3.821 1.00 0.00 H ATOM 1943 HB3 GLU B 16 20.122 1.811 4.879 1.00 0.00 H ATOM 1944 HG2 GLU B 16 17.963 1.086 3.815 1.00 0.00 H ATOM 1945 HG3 GLU B 16 18.164 2.418 2.653 1.00 0.00 H ATOM 1946 H GLU B 16 20.407 3.939 6.266 1.00 0.00 H ATOM 1947 N GLU B 17 18.275 1.439 6.999 1.00 3.03 N ATOM 1948 CA GLU B 17 17.503 0.421 7.717 1.00 7.68 C ATOM 1949 C GLU B 17 16.367 1.031 8.546 1.00 8.29 C ATOM 1950 O GLU B 17 15.258 0.481 8.593 1.00 7.84 O ATOM 1951 CB GLU B 17 18.406 -0.422 8.619 1.00 9.46 C ATOM 1952 CG GLU B 17 17.630 -1.408 9.536 1.00 4.53 C ATOM 1953 CD GLU B 17 16.994 -2.569 8.771 1.00 11.34 C ATOM 1954 OE1 GLU B 17 16.187 -3.314 9.362 1.00 11.63 O ATOM 1955 OE2 GLU B 17 17.308 -2.759 7.578 1.00 13.23 O ATOM 1956 HA GLU B 17 17.057 -0.221 6.957 1.00 0.00 H ATOM 1957 HB2 GLU B 17 19.082 -0.999 7.987 1.00 0.00 H ATOM 1958 HB3 GLU B 17 18.986 0.251 9.250 1.00 0.00 H ATOM 1959 HG2 GLU B 17 18.323 -1.816 10.272 1.00 0.00 H ATOM 1960 HG3 GLU B 17 16.841 -0.857 10.048 1.00 0.00 H ATOM 1961 H GLU B 17 19.281 1.578 7.222 1.00 0.00 H ATOM 1962 N TYR B 18 16.621 2.172 9.181 1.00 9.12 N ATOM 1963 CA TYR B 18 15.585 2.808 9.983 1.00 8.92 C ATOM 1964 C TYR B 18 14.408 3.153 9.087 1.00 7.04 C ATOM 1965 O TYR B 18 13.271 2.852 9.422 1.00 8.92 O ATOM 1966 CB TYR B 18 16.100 4.079 10.680 1.00 10.87 C ATOM 1967 CG TYR B 18 15.027 4.800 11.477 1.00 9.45 C ATOM 1968 CD1 TYR B 18 14.224 5.782 10.889 1.00 8.21 C ATOM 1969 CD2 TYR B 18 14.787 4.466 12.804 1.00 7.70 C ATOM 1970 CE1 TYR B 18 13.210 6.406 11.610 1.00 10.51 C ATOM 1971 CE2 TYR B 18 13.773 5.082 13.536 1.00 8.50 C ATOM 1972 CZ TYR B 18 12.987 6.051 12.937 1.00 7.59 C ATOM 1973 OH TYR B 18 11.977 6.658 13.660 1.00 11.33 O ATOM 1974 HA TYR B 18 15.278 2.110 10.762 1.00 0.00 H ATOM 1975 HB3 TYR B 18 16.484 4.760 9.920 1.00 0.00 H ATOM 1976 HB2 TYR B 18 16.907 3.800 11.358 1.00 0.00 H ATOM 1977 HD2 TYR B 18 15.405 3.706 13.283 1.00 0.00 H ATOM 1978 HE2 TYR B 18 13.600 4.802 14.575 1.00 0.00 H ATOM 1979 HE1 TYR B 18 12.593 7.170 11.137 1.00 0.00 H ATOM 1980 HD1 TYR B 18 14.395 6.063 9.850 1.00 0.00 H ATOM 1981 HH TYR B 18 11.516 7.321 13.088 1.00 0.00 H ATOM 1982 H TYR B 18 17.561 2.611 9.105 1.00 0.00 H ATOM 1983 N GLN B 19 14.684 3.763 7.942 1.00 8.72 N ATOM 1984 CA GLN B 19 13.621 4.132 7.014 1.00 9.52 C ATOM 1985 C GLN B 19 12.885 2.913 6.471 1.00 9.08 C ATOM 1986 O GLN B 19 11.657 2.906 6.412 1.00 11.76 O ATOM 1987 CB GLN B 19 14.182 4.944 5.848 1.00 9.93 C ATOM 1988 CG GLN B 19 13.101 5.524 4.955 1.00 10.68 C ATOM 1989 CD GLN B 19 13.680 6.239 3.765 1.00 13.35 C ATOM 1990 OE1 GLN B 19 14.798 6.733 3.825 1.00 13.37 O ATOM 1991 NE2 GLN B 19 12.914 6.315 2.679 1.00 11.95 N ATOM 1992 HA GLN B 19 12.909 4.737 7.575 1.00 0.00 H ATOM 1993 HB2 GLN B 19 14.778 5.764 6.250 1.00 0.00 H ATOM 1994 HB3 GLN B 19 14.818 4.295 5.247 1.00 0.00 H ATOM 1995 HG2 GLN B 19 12.462 4.714 4.603 1.00 0.00 H ATOM 1996 HG3 GLN B 19 12.505 6.229 5.535 1.00 0.00 H ATOM 1997 HE22 GLN B 19 11.970 5.879 2.677 1.00 0.00 H ATOM 1998 HE21 GLN B 19 13.260 6.811 1.833 1.00 0.00 H ATOM 1999 H GLN B 19 15.672 3.981 7.703 1.00 0.00 H ATOM 2000 N ARG B 20 13.627 1.882 6.072 1.00 9.02 N ATOM 2001 CA ARG B 20 12.999 0.670 5.545 1.00 10.45 C ATOM 2002 C ARG B 20 12.020 0.042 6.557 1.00 12.21 C ATOM 2003 O ARG B 20 10.951 -0.441 6.188 1.00 11.43 O ATOM 2004 CB ARG B 20 14.067 -0.352 5.149 1.00 4.79 C ATOM 2005 CG ARG B 20 13.509 -1.638 4.529 1.00 10.86 C ATOM 2006 CD ARG B 20 12.850 -1.381 3.154 1.00 14.13 C ATOM 2007 NE ARG B 20 12.158 -2.569 2.637 1.00 17.45 N ATOM 2008 CZ ARG B 20 10.978 -3.008 3.079 1.00 17.06 C ATOM 2009 NH1 ARG B 20 10.337 -2.362 4.043 1.00 24.83 N ATOM 2010 NH2 ARG B 20 10.443 -4.112 2.579 1.00 20.60 N ATOM 2011 HA ARG B 20 12.426 0.957 4.663 1.00 0.00 H ATOM 2012 HB2 ARG B 20 14.735 0.115 4.425 1.00 0.00 H ATOM 2013 HB3 ARG B 20 14.631 -0.620 6.042 1.00 0.00 H ATOM 2014 HG2 ARG B 20 14.325 -2.350 4.401 1.00 0.00 H ATOM 2015 HG3 ARG B 20 12.763 -2.059 5.203 1.00 0.00 H ATOM 2016 HD2 ARG B 20 13.623 -1.088 2.444 1.00 0.00 H ATOM 2017 HD3 ARG B 20 12.128 -0.571 3.257 1.00 0.00 H ATOM 2018 HE ARG B 20 12.619 -3.105 1.874 1.00 0.00 H ATOM 2019 HH12 ARG B 20 9.418 -2.712 4.381 1.00 0.00 H ATOM 2020 HH11 ARG B 20 10.753 -1.506 4.461 1.00 0.00 H ATOM 2021 HH22 ARG B 20 9.523 -4.448 2.928 1.00 0.00 H ATOM 2022 HH21 ARG B 20 10.943 -4.642 1.837 1.00 0.00 H ATOM 2023 H ARG B 20 14.664 1.939 6.136 1.00 0.00 H ATOM 2024 N ARG B 21 12.386 0.047 7.834 1.00 10.56 N ATOM 2025 CA ARG B 21 11.521 -0.520 8.860 1.00 8.57 C ATOM 2026 C ARG B 21 10.183 0.213 9.000 1.00 9.02 C ATOM 2027 O ARG B 21 9.251 -0.315 9.605 1.00 10.17 O ATOM 2028 CB ARG B 21 12.248 -0.544 10.219 1.00 8.12 C ATOM 2029 CG ARG B 21 13.471 -1.468 10.267 1.00 7.73 C ATOM 2030 CD ARG B 21 14.076 -1.550 11.666 1.00 10.19 C ATOM 2031 NE ARG B 21 15.196 -2.498 11.772 1.00 6.49 N ATOM 2032 CZ ARG B 21 15.750 -2.863 12.930 1.00 9.36 C ATOM 2033 NH1 ARG B 21 15.290 -2.358 14.070 1.00 5.96 N ATOM 2034 NH2 ARG B 21 16.750 -3.742 12.965 1.00 7.92 N ATOM 2035 HA ARG B 21 11.292 -1.536 8.539 1.00 0.00 H ATOM 2036 HB2 ARG B 21 12.577 0.470 10.448 1.00 0.00 H ATOM 2037 HB3 ARG B 21 11.540 -0.875 10.979 1.00 0.00 H ATOM 2038 HG2 ARG B 21 13.169 -2.468 9.956 1.00 0.00 H ATOM 2039 HG3 ARG B 21 14.226 -1.088 9.579 1.00 0.00 H ATOM 2040 HD2 ARG B 21 13.296 -1.860 12.361 1.00 0.00 H ATOM 2041 HD3 ARG B 21 14.436 -0.559 11.944 1.00 0.00 H ATOM 2042 HE ARG B 21 15.578 -2.907 10.895 1.00 0.00 H ATOM 2043 HH12 ARG B 21 15.719 -2.640 14.974 1.00 0.00 H ATOM 2044 HH11 ARG B 21 14.501 -1.681 14.058 1.00 0.00 H ATOM 2045 HH22 ARG B 21 17.170 -4.015 13.876 1.00 0.00 H ATOM 2046 HH21 ARG B 21 17.111 -4.155 12.081 1.00 0.00 H ATOM 2047 H ARG B 21 13.301 0.461 8.105 1.00 0.00 H ATOM 2048 N HIS B 22 10.066 1.421 8.449 1.00 8.49 N ATOM 2049 CA HIS B 22 8.810 2.156 8.570 1.00 11.80 C ATOM 2050 C HIS B 22 7.990 2.167 7.286 1.00 14.24 C ATOM 2051 O HIS B 22 6.998 2.889 7.172 1.00 14.44 O ATOM 2052 CB HIS B 22 9.062 3.598 9.018 1.00 11.15 C ATOM 2053 CG HIS B 22 9.625 3.709 10.401 1.00 10.59 C ATOM 2054 ND1 HIS B 22 10.900 3.294 10.723 1.00 11.23 N ATOM 2055 CD2 HIS B 22 9.074 4.162 11.552 1.00 12.38 C ATOM 2056 CE1 HIS B 22 11.108 3.486 12.015 1.00 12.16 C ATOM 2057 NE2 HIS B 22 10.016 4.012 12.542 1.00 9.42 N ATOM 2058 HA HIS B 22 8.230 1.625 9.325 1.00 0.00 H ATOM 2059 HB2 HIS B 22 9.764 4.057 8.322 1.00 0.00 H ATOM 2060 HB3 HIS B 22 8.116 4.139 8.987 1.00 0.00 H ATOM 2061 HD2 HIS B 22 8.070 4.570 11.671 1.00 0.00 H ATOM 2062 HE1 HIS B 22 12.025 3.250 12.554 1.00 0.00 H ATOM 2063 H HIS B 22 10.867 1.839 7.934 1.00 0.00 H ATOM 2064 N ASN B 23 8.391 1.346 6.325 1.00 16.75 N ATOM 2065 CA ASN B 23 7.683 1.296 5.064 1.00 15.95 C ATOM 2066 C ASN B 23 7.476 -0.145 4.606 1.00 19.80 C ATOM 2067 O ASN B 23 8.204 -0.658 3.750 1.00 21.13 O ATOM 2068 CB ASN B 23 8.454 2.117 4.032 1.00 18.32 C ATOM 2069 CG ASN B 23 8.480 3.599 4.377 1.00 20.87 C ATOM 2070 OD1 ASN B 23 7.512 4.325 4.131 1.00 20.02 O ATOM 2071 ND2 ASN B 23 9.583 4.051 4.970 1.00 22.57 N ATOM 2072 HA ASN B 23 6.689 1.727 5.185 1.00 0.00 H ATOM 2073 HB2 ASN B 23 9.479 1.749 3.986 1.00 0.00 H ATOM 2074 HB3 ASN B 23 7.980 1.991 3.058 1.00 0.00 H ATOM 2075 HD22 ASN B 23 10.375 3.404 5.158 1.00 0.00 H ATOM 2076 HD21 ASN B 23 9.653 5.052 5.245 1.00 0.00 H ATOM 2077 H ASN B 23 9.218 0.735 6.478 1.00 0.00 H ATOM 2078 N PRO B 24 6.473 -0.823 5.192 1.00 19.39 N ATOM 2079 CA PRO B 24 5.605 -0.243 6.224 1.00 20.22 C ATOM 2080 C PRO B 24 5.955 -0.743 7.626 1.00 18.55 C ATOM 2081 O PRO B 24 6.729 -1.695 7.775 1.00 19.29 O ATOM 2082 CB PRO B 24 4.232 -0.714 5.795 1.00 20.26 C ATOM 2083 CG PRO B 24 4.536 -2.130 5.410 1.00 21.32 C ATOM 2084 CD PRO B 24 5.838 -2.019 4.610 1.00 20.52 C ATOM 2085 HA PRO B 24 5.696 0.841 6.297 1.00 0.00 H ATOM 2086 HD3 PRO B 24 6.461 -2.902 4.748 1.00 0.00 H ATOM 2087 HD2 PRO B 24 5.637 -1.880 3.548 1.00 0.00 H ATOM 2088 HG3 PRO B 24 3.737 -2.546 4.796 1.00 0.00 H ATOM 2089 HG2 PRO B 24 4.675 -2.752 6.294 1.00 0.00 H ATOM 2090 HB2 PRO B 24 3.515 -0.665 6.615 1.00 0.00 H ATOM 2091 HB3 PRO B 24 3.855 -0.139 4.949 1.00 0.00 H ATOM 2092 N ILE B 25 5.397 -0.093 8.647 1.00 18.96 N ATOM 2093 CA ILE B 25 5.620 -0.515 10.028 1.00 20.84 C ATOM 2094 C ILE B 25 4.713 -1.732 10.203 1.00 18.71 C ATOM 2095 O ILE B 25 3.870 -1.997 9.337 1.00 16.78 O ATOM 2096 CB ILE B 25 5.196 0.570 11.061 1.00 23.90 C ATOM 2097 CG1 ILE B 25 3.739 0.975 10.831 1.00 25.24 C ATOM 2098 CG2 ILE B 25 6.102 1.785 10.967 1.00 25.14 C ATOM 2099 CD1 ILE B 25 3.207 1.928 11.891 1.00 30.81 C ATOM 2100 HA ILE B 25 6.678 -0.711 10.202 1.00 0.00 H ATOM 2101 HB ILE B 25 5.292 0.149 12.062 1.00 0.00 H ATOM 2102 HG12 ILE B 25 3.664 1.461 9.858 1.00 0.00 H ATOM 2103 HG13 ILE B 25 3.124 0.075 10.834 1.00 0.00 H ATOM 2104 HD11 ILE B 25 3.266 1.451 12.869 1.00 0.00 H ATOM 2105 HD12 ILE B 25 3.806 2.839 11.893 1.00 0.00 H ATOM 2106 HD13 ILE B 25 2.169 2.175 11.668 1.00 0.00 H ATOM 2107 HG21 ILE B 25 7.130 1.487 11.171 1.00 0.00 H ATOM 2108 HG22 ILE B 25 6.037 2.208 9.965 1.00 0.00 H ATOM 2109 HG23 ILE B 25 5.786 2.529 11.698 1.00 0.00 H ATOM 2110 H ILE B 25 4.791 0.731 8.457 1.00 0.00 H ATOM 2111 N TRP B 26 4.875 -2.467 11.301 1.00 15.22 N ATOM 2112 CA TRP B 26 4.039 -3.650 11.535 1.00 15.31 C ATOM 2113 C TRP B 26 2.570 -3.248 11.537 1.00 15.59 C ATOM 2114 O TRP B 26 2.200 -2.234 12.157 1.00 15.08 O ATOM 2115 CB TRP B 26 4.346 -4.297 12.887 1.00 13.71 C ATOM 2116 CG TRP B 26 5.751 -4.732 13.088 1.00 11.68 C ATOM 2117 CD1 TRP B 26 6.670 -5.031 12.128 1.00 13.41 C ATOM 2118 CD2 TRP B 26 6.381 -4.980 14.345 1.00 12.68 C ATOM 2119 NE1 TRP B 26 7.844 -5.451 12.715 1.00 14.12 N ATOM 2120 CE2 TRP B 26 7.688 -5.431 14.077 1.00 14.38 C ATOM 2121 CE3 TRP B 26 5.962 -4.870 15.679 1.00 13.88 C ATOM 2122 CZ2 TRP B 26 8.586 -5.770 15.098 1.00 14.05 C ATOM 2123 CZ3 TRP B 26 6.853 -5.206 16.689 1.00 15.16 C ATOM 2124 CH2 TRP B 26 8.149 -5.652 16.392 1.00 16.20 C ATOM 2125 HA TRP B 26 4.252 -4.362 10.737 1.00 0.00 H ATOM 2126 HB2 TRP B 26 4.104 -3.575 13.667 1.00 0.00 H ATOM 2127 HB3 TRP B 26 3.706 -5.173 12.993 1.00 0.00 H ATOM 2128 HE1 TRP B 26 8.706 -5.736 12.208 1.00 0.00 H ATOM 2129 HD1 TRP B 26 6.502 -4.950 11.054 1.00 0.00 H ATOM 2130 HZ2 TRP B 26 9.595 -6.115 14.872 1.00 0.00 H ATOM 2131 HH2 TRP B 26 8.824 -5.911 17.208 1.00 0.00 H ATOM 2132 HZ3 TRP B 26 6.540 -5.122 17.730 1.00 0.00 H ATOM 2133 HE3 TRP B 26 4.955 -4.527 15.918 1.00 0.00 H ATOM 2134 H TRP B 26 5.599 -2.201 11.998 1.00 0.00 H ATOM 2135 N PRO B 27 1.708 -4.041 10.863 1.00 14.29 N ATOM 2136 CA PRO B 27 0.270 -3.731 10.812 1.00 13.67 C ATOM 2137 C PRO B 27 -0.399 -3.680 12.187 1.00 14.03 C ATOM 2138 O PRO B 27 -1.355 -2.933 12.385 1.00 13.41 O ATOM 2139 CB PRO B 27 -0.301 -4.852 9.942 1.00 13.83 C ATOM 2140 CG PRO B 27 0.821 -5.190 9.037 1.00 12.16 C ATOM 2141 CD PRO B 27 2.028 -5.163 9.960 1.00 12.09 C ATOM 2142 HA PRO B 27 0.088 -2.733 10.412 1.00 0.00 H ATOM 2143 HD3 PRO B 27 2.125 -6.098 10.511 1.00 0.00 H ATOM 2144 HD2 PRO B 27 2.946 -4.973 9.404 1.00 0.00 H ATOM 2145 HG3 PRO B 27 0.919 -4.451 8.242 1.00 0.00 H ATOM 2146 HG2 PRO B 27 0.686 -6.178 8.598 1.00 0.00 H ATOM 2147 HB2 PRO B 27 -0.585 -5.711 10.549 1.00 0.00 H ATOM 2148 HB3 PRO B 27 -1.167 -4.506 9.378 1.00 0.00 H ATOM 2149 N GLU B 28 0.083 -4.476 13.136 1.00 16.57 N ATOM 2150 CA GLU B 28 -0.534 -4.443 14.452 1.00 16.44 C ATOM 2151 C GLU B 28 -0.112 -3.195 15.214 1.00 16.30 C ATOM 2152 O GLU B 28 -0.832 -2.757 16.098 1.00 15.30 O ATOM 2153 CB GLU B 28 -0.232 -5.708 15.274 1.00 18.57 C ATOM 2154 CG GLU B 28 1.213 -5.949 15.655 1.00 25.67 C ATOM 2155 CD GLU B 28 1.370 -7.073 16.697 1.00 29.15 C ATOM 2156 OE1 GLU B 28 2.460 -7.690 16.747 1.00 29.85 O ATOM 2157 OE2 GLU B 28 0.413 -7.326 17.474 1.00 27.42 O ATOM 2158 HA GLU B 28 -1.612 -4.413 14.296 1.00 0.00 H ATOM 2159 HB2 GLU B 28 -0.810 -5.648 16.196 1.00 0.00 H ATOM 2160 HB3 GLU B 28 -0.567 -6.567 14.692 1.00 0.00 H ATOM 2161 HG2 GLU B 28 1.770 -6.223 14.759 1.00 0.00 H ATOM 2162 HG3 GLU B 28 1.624 -5.028 16.069 1.00 0.00 H ATOM 2163 H GLU B 28 0.885 -5.109 12.941 1.00 0.00 H ATOM 2164 N LEU B 29 1.042 -2.617 14.872 1.00 16.95 N ATOM 2165 CA LEU B 29 1.482 -1.395 15.542 1.00 15.47 C ATOM 2166 C LEU B 29 0.681 -0.232 14.981 1.00 15.98 C ATOM 2167 O LEU B 29 0.310 0.682 15.712 1.00 15.73 O ATOM 2168 CB LEU B 29 2.976 -1.121 15.329 1.00 17.65 C ATOM 2169 CG LEU B 29 3.479 0.209 15.938 1.00 17.17 C ATOM 2170 CD1 LEU B 29 3.354 0.181 17.459 1.00 14.15 C ATOM 2171 CD2 LEU B 29 4.931 0.442 15.548 1.00 17.67 C ATOM 2172 HA LEU B 29 1.320 -1.515 16.613 1.00 0.00 H ATOM 2173 HB2 LEU B 29 3.540 -1.937 15.781 1.00 0.00 H ATOM 2174 HB3 LEU B 29 3.168 -1.099 14.256 1.00 0.00 H ATOM 2175 HG LEU B 29 2.865 1.022 15.550 1.00 0.00 H ATOM 2176 HD21 LEU B 29 5.543 -0.379 15.922 1.00 0.00 H ATOM 2177 HD22 LEU B 29 5.011 0.491 14.462 1.00 0.00 H ATOM 2178 HD23 LEU B 29 5.276 1.381 15.981 1.00 0.00 H ATOM 2179 HD11 LEU B 29 2.309 0.038 17.734 1.00 0.00 H ATOM 2180 HD12 LEU B 29 3.951 -0.640 17.856 1.00 0.00 H ATOM 2181 HD13 LEU B 29 3.713 1.125 17.869 1.00 0.00 H ATOM 2182 H LEU B 29 1.631 -3.038 14.125 1.00 0.00 H ATOM 2183 N GLU B 30 0.412 -0.267 13.680 1.00 14.86 N ATOM 2184 CA GLU B 30 -0.368 0.798 13.054 1.00 13.99 C ATOM 2185 C GLU B 30 -1.763 0.801 13.685 1.00 15.30 C ATOM 2186 O GLU B 30 -2.286 1.853 14.058 1.00 15.00 O ATOM 2187 CB GLU B 30 -0.473 0.565 11.546 1.00 17.89 C ATOM 2188 CG GLU B 30 -1.223 1.652 10.796 1.00 17.48 C ATOM 2189 CD GLU B 30 -1.315 1.369 9.314 1.00 23.42 C ATOM 2190 OE1 GLU B 30 -0.278 1.049 8.687 1.00 19.89 O ATOM 2191 OE2 GLU B 30 -2.437 1.474 8.773 1.00 26.82 O ATOM 2192 HA GLU B 30 0.120 1.760 13.213 1.00 0.00 H ATOM 2193 HB2 GLU B 30 0.536 0.503 11.139 1.00 0.00 H ATOM 2194 HB3 GLU B 30 -0.988 -0.381 11.382 1.00 0.00 H ATOM 2195 HG2 GLU B 30 -2.232 1.726 11.202 1.00 0.00 H ATOM 2196 HG3 GLU B 30 -0.704 2.600 10.940 1.00 0.00 H ATOM 2197 H GLU B 30 0.760 -1.059 13.103 1.00 0.00 H ATOM 2198 N ALA B 31 -2.353 -0.384 13.807 1.00 14.90 N ATOM 2199 CA ALA B 31 -3.677 -0.534 14.409 1.00 15.93 C ATOM 2200 C ALA B 31 -3.676 0.053 15.817 1.00 15.37 C ATOM 2201 O ALA B 31 -4.594 0.783 16.190 1.00 12.90 O ATOM 2202 CB ALA B 31 -4.065 -2.003 14.470 1.00 16.40 C ATOM 2203 HA ALA B 31 -4.402 -0.001 13.795 1.00 0.00 H ATOM 2204 HB1 ALA B 31 -4.083 -2.415 13.461 1.00 0.00 H ATOM 2205 HB2 ALA B 31 -3.336 -2.545 15.072 1.00 0.00 H ATOM 2206 HB3 ALA B 31 -5.053 -2.098 14.921 1.00 0.00 H ATOM 2207 H ALA B 31 -1.857 -1.231 13.463 1.00 0.00 H ATOM 2208 N VAL B 32 -2.645 -0.267 16.599 1.00 15.54 N ATOM 2209 CA VAL B 32 -2.577 0.250 17.956 1.00 14.46 C ATOM 2210 C VAL B 32 -2.413 1.768 17.980 1.00 15.89 C ATOM 2211 O VAL B 32 -3.087 2.447 18.761 1.00 16.31 O ATOM 2212 CB VAL B 32 -1.449 -0.420 18.770 1.00 17.11 C ATOM 2213 CG1 VAL B 32 -1.200 0.359 20.045 1.00 14.07 C ATOM 2214 CG2 VAL B 32 -1.852 -1.845 19.128 1.00 14.85 C ATOM 2215 HA VAL B 32 -3.529 0.004 18.426 1.00 0.00 H ATOM 2216 HB VAL B 32 -0.540 -0.434 18.169 1.00 0.00 H ATOM 2217 HG11 VAL B 32 -0.907 1.379 19.795 1.00 0.00 H ATOM 2218 HG12 VAL B 32 -2.112 0.378 20.642 1.00 0.00 H ATOM 2219 HG13 VAL B 32 -0.403 -0.121 20.613 1.00 0.00 H ATOM 2220 HG21 VAL B 32 -2.765 -1.824 19.723 1.00 0.00 H ATOM 2221 HG22 VAL B 32 -2.025 -2.413 18.214 1.00 0.00 H ATOM 2222 HG23 VAL B 32 -1.053 -2.314 19.702 1.00 0.00 H ATOM 2223 H VAL B 32 -1.890 -0.886 16.239 1.00 0.00 H ATOM 2224 N LEU B 33 -1.540 2.308 17.129 1.00 12.54 N ATOM 2225 CA LEU B 33 -1.345 3.759 17.084 1.00 12.69 C ATOM 2226 C LEU B 33 -2.657 4.468 16.778 1.00 15.28 C ATOM 2227 O LEU B 33 -2.998 5.460 17.419 1.00 16.15 O ATOM 2228 CB LEU B 33 -0.312 4.145 16.017 1.00 10.05 C ATOM 2229 CG LEU B 33 1.155 3.856 16.355 1.00 9.28 C ATOM 2230 CD1 LEU B 33 2.033 4.060 15.130 1.00 8.16 C ATOM 2231 CD2 LEU B 33 1.591 4.766 17.499 1.00 8.50 C ATOM 2232 HA LEU B 33 -0.981 4.068 18.064 1.00 0.00 H ATOM 2233 HB2 LEU B 33 -0.557 3.600 15.105 1.00 0.00 H ATOM 2234 HB3 LEU B 33 -0.406 5.216 15.835 1.00 0.00 H ATOM 2235 HG LEU B 33 1.261 2.817 16.667 1.00 0.00 H ATOM 2236 HD21 LEU B 33 1.482 5.807 17.195 1.00 0.00 H ATOM 2237 HD22 LEU B 33 0.968 4.574 18.372 1.00 0.00 H ATOM 2238 HD23 LEU B 33 2.634 4.565 17.744 1.00 0.00 H ATOM 2239 HD11 LEU B 33 1.711 3.384 14.337 1.00 0.00 H ATOM 2240 HD12 LEU B 33 1.944 5.091 14.788 1.00 0.00 H ATOM 2241 HD13 LEU B 33 3.071 3.850 15.389 1.00 0.00 H ATOM 2242 H LEU B 33 -0.993 1.694 16.492 1.00 0.00 H ATOM 2243 N LYS B 34 -3.386 3.958 15.787 1.00 16.88 N ATOM 2244 CA LYS B 34 -4.660 4.548 15.395 1.00 18.59 C ATOM 2245 C LYS B 34 -5.709 4.359 16.490 1.00 17.82 C ATOM 2246 O LYS B 34 -6.485 5.268 16.774 1.00 18.80 O ATOM 2247 CB LYS B 34 -5.161 3.926 14.084 1.00 18.79 C ATOM 2248 CG LYS B 34 -4.253 4.157 12.877 1.00 19.43 C ATOM 2249 CD LYS B 34 -4.080 5.641 12.552 1.00 19.20 C ATOM 2250 CE LYS B 34 -5.404 6.284 12.176 1.00 21.64 C ATOM 2251 NZ LYS B 34 -5.322 7.768 12.025 1.00 19.08 N ATOM 2252 HA LYS B 34 -4.501 5.616 15.245 1.00 0.00 H ATOM 2253 HB2 LYS B 34 -5.259 2.851 14.234 1.00 0.00 H ATOM 2254 HB3 LYS B 34 -6.139 4.351 13.859 1.00 0.00 H ATOM 2255 HG2 LYS B 34 -3.273 3.728 13.089 1.00 0.00 H ATOM 2256 HG3 LYS B 34 -4.687 3.657 12.011 1.00 0.00 H ATOM 2257 HD2 LYS B 34 -3.673 6.151 13.425 1.00 0.00 H ATOM 2258 HD3 LYS B 34 -3.386 5.743 11.718 1.00 0.00 H ATOM 2259 HE2 LYS B 34 -6.133 6.055 12.954 1.00 0.00 H ATOM 2260 HE3 LYS B 34 -5.739 5.858 11.230 1.00 0.00 H ATOM 2261 HZ1 LYS B 34 -5.014 8.190 12.924 1.00 0.00 H ATOM 2262 HZ2 LYS B 34 -4.637 8.002 11.278 1.00 0.00 H ATOM 2263 HZ3 LYS B 34 -6.258 8.141 11.768 1.00 0.00 H ATOM 2264 H LYS B 34 -3.038 3.119 15.281 1.00 0.00 H ATOM 2265 N SER B 35 -5.736 3.183 17.108 1.00 17.99 N ATOM 2266 CA SER B 35 -6.705 2.938 18.174 1.00 20.97 C ATOM 2267 C SER B 35 -6.500 3.930 19.309 1.00 20.52 C ATOM 2268 O SER B 35 -7.462 4.381 19.932 1.00 23.11 O ATOM 2269 CB SER B 35 -6.568 1.519 18.735 1.00 18.99 C ATOM 2270 OG SER B 35 -7.001 0.557 17.797 1.00 28.86 O ATOM 2271 HA SER B 35 -7.700 3.057 17.745 1.00 0.00 H ATOM 2272 HB2 SER B 35 -7.172 1.433 19.638 1.00 0.00 H ATOM 2273 HB3 SER B 35 -5.522 1.332 18.980 1.00 0.00 H ATOM 2274 HG SER B 35 -6.452 0.628 16.976 1.00 0.00 H ATOM 2275 H SER B 35 -5.067 2.436 16.833 1.00 0.00 H ATOM 2276 N HIS B 36 -5.242 4.276 19.571 1.00 19.69 N ATOM 2277 CA HIS B 36 -4.934 5.199 20.654 1.00 20.25 C ATOM 2278 C HIS B 36 -5.014 6.683 20.270 1.00 20.56 C ATOM 2279 O HIS B 36 -4.466 7.542 20.960 1.00 20.83 O ATOM 2280 CB HIS B 36 -3.569 4.843 21.265 1.00 20.43 C ATOM 2281 CG HIS B 36 -3.595 3.597 22.103 1.00 22.86 C ATOM 2282 ND1 HIS B 36 -4.015 2.378 21.612 1.00 22.04 N ATOM 2283 CD2 HIS B 36 -3.280 3.390 23.405 1.00 20.95 C ATOM 2284 CE1 HIS B 36 -3.958 1.474 22.576 1.00 22.82 C ATOM 2285 NE2 HIS B 36 -3.516 2.062 23.673 1.00 22.63 N ATOM 2286 HA HIS B 36 -5.717 5.072 21.402 1.00 0.00 H ATOM 2287 HB2 HIS B 36 -2.855 4.699 20.454 1.00 0.00 H ATOM 2288 HB3 HIS B 36 -3.244 5.674 21.891 1.00 0.00 H ATOM 2289 HD2 HIS B 36 -2.909 4.136 24.108 1.00 0.00 H ATOM 2290 HE1 HIS B 36 -4.230 0.423 22.481 1.00 0.00 H ATOM 2291 H HIS B 36 -4.470 3.883 18.996 1.00 0.00 H ATOM 2292 N GLY B 37 -5.703 6.973 19.164 1.00 21.21 N ATOM 2293 CA GLY B 37 -5.909 8.350 18.735 1.00 19.93 C ATOM 2294 C GLY B 37 -4.846 9.171 18.018 1.00 22.41 C ATOM 2295 O GLY B 37 -4.913 10.403 18.057 1.00 22.72 O ATOM 2296 HA3 GLY B 37 -6.161 8.909 19.636 1.00 0.00 H ATOM 2297 HA2 GLY B 37 -6.771 8.330 18.068 1.00 0.00 H ATOM 2298 H GLY B 37 -6.102 6.199 18.596 1.00 0.00 H ATOM 2299 N ALA B 38 -3.882 8.532 17.359 1.00 19.63 N ATOM 2300 CA ALA B 38 -2.851 9.284 16.643 1.00 19.65 C ATOM 2301 C ALA B 38 -3.312 9.642 15.227 1.00 19.07 C ATOM 2302 O ALA B 38 -3.998 8.854 14.567 1.00 16.04 O ATOM 2303 CB ALA B 38 -1.555 8.476 16.577 1.00 18.91 C ATOM 2304 HA ALA B 38 -2.670 10.209 17.190 1.00 0.00 H ATOM 2305 HB1 ALA B 38 -1.206 8.267 17.588 1.00 0.00 H ATOM 2306 HB2 ALA B 38 -1.740 7.538 16.054 1.00 0.00 H ATOM 2307 HB3 ALA B 38 -0.798 9.049 16.041 1.00 0.00 H ATOM 2308 H ALA B 38 -3.861 7.492 17.353 1.00 0.00 H ATOM 2309 N HIS B 39 -2.939 10.835 14.772 1.00 17.35 N ATOM 2310 CA HIS B 39 -3.293 11.299 13.431 1.00 19.03 C ATOM 2311 C HIS B 39 -2.125 12.054 12.810 1.00 18.41 C ATOM 2312 O HIS B 39 -1.418 12.802 13.495 1.00 16.91 O ATOM 2313 CB HIS B 39 -4.515 12.229 13.464 1.00 19.44 C ATOM 2314 CG HIS B 39 -5.759 11.578 13.982 1.00 23.33 C ATOM 2315 ND1 HIS B 39 -5.976 11.345 15.324 1.00 21.99 N ATOM 2316 CD2 HIS B 39 -6.836 11.072 13.333 1.00 21.51 C ATOM 2317 CE1 HIS B 39 -7.131 10.723 15.479 1.00 20.81 C ATOM 2318 NE2 HIS B 39 -7.672 10.546 14.287 1.00 23.34 N ATOM 2319 HA HIS B 39 -3.533 10.418 12.835 1.00 0.00 H ATOM 2320 HB2 HIS B 39 -4.281 13.081 14.103 1.00 0.00 H ATOM 2321 HB3 HIS B 39 -4.707 12.579 12.450 1.00 0.00 H ATOM 2322 HD2 HIS B 39 -7.006 11.081 12.256 1.00 0.00 H ATOM 2323 HE1 HIS B 39 -7.564 10.409 16.429 1.00 0.00 H ATOM 2324 H HIS B 39 -2.378 11.457 15.389 1.00 0.00 H ATOM 2325 N ASN B 40 -1.919 11.842 11.514 1.00 16.63 N ATOM 2326 CA ASN B 40 -0.856 12.521 10.784 1.00 16.87 C ATOM 2327 C ASN B 40 0.485 12.403 11.500 1.00 13.29 C ATOM 2328 O ASN B 40 1.149 13.405 11.756 1.00 13.40 O ATOM 2329 CB ASN B 40 -1.215 13.999 10.602 1.00 20.04 C ATOM 2330 CG ASN B 40 -2.525 14.193 9.872 1.00 25.04 C ATOM 2331 OD1 ASN B 40 -3.429 14.871 10.367 1.00 25.79 O ATOM 2332 ND2 ASN B 40 -2.635 13.599 8.682 1.00 22.78 N ATOM 2333 HA ASN B 40 -0.760 12.039 9.811 1.00 0.00 H ATOM 2334 HB2 ASN B 40 -1.290 14.464 11.585 1.00 0.00 H ATOM 2335 HB3 ASN B 40 -0.422 14.484 10.032 1.00 0.00 H ATOM 2336 HD22 ASN B 40 -1.845 13.037 8.306 1.00 0.00 H ATOM 2337 HD21 ASN B 40 -3.511 13.698 8.130 1.00 0.00 H ATOM 2338 H ASN B 40 -2.533 11.173 11.007 1.00 0.00 H ATOM 2339 N TYR B 41 0.865 11.174 11.831 1.00 11.99 N ATOM 2340 CA TYR B 41 2.128 10.891 12.502 1.00 12.45 C ATOM 2341 C TYR B 41 3.200 10.955 11.421 1.00 13.21 C ATOM 2342 O TYR B 41 3.200 10.146 10.494 1.00 14.04 O ATOM 2343 CB TYR B 41 2.079 9.479 13.100 1.00 13.19 C ATOM 2344 CG TYR B 41 3.128 9.156 14.128 1.00 14.54 C ATOM 2345 CD1 TYR B 41 4.304 9.903 14.231 1.00 12.38 C ATOM 2346 CD2 TYR B 41 2.959 8.079 14.994 1.00 16.10 C ATOM 2347 CE1 TYR B 41 5.276 9.584 15.174 1.00 13.94 C ATOM 2348 CE2 TYR B 41 3.927 7.752 15.939 1.00 15.24 C ATOM 2349 CZ TYR B 41 5.079 8.509 16.026 1.00 15.63 C ATOM 2350 OH TYR B 41 6.023 8.202 16.980 1.00 18.52 O ATOM 2351 HA TYR B 41 2.329 11.598 13.307 1.00 0.00 H ATOM 2352 HB3 TYR B 41 2.185 8.767 12.281 1.00 0.00 H ATOM 2353 HB2 TYR B 41 1.103 9.350 13.568 1.00 0.00 H ATOM 2354 HD2 TYR B 41 2.051 7.480 14.931 1.00 0.00 H ATOM 2355 HE2 TYR B 41 3.777 6.903 16.607 1.00 0.00 H ATOM 2356 HE1 TYR B 41 6.188 10.177 15.242 1.00 0.00 H ATOM 2357 HD1 TYR B 41 4.463 10.749 13.562 1.00 0.00 H ATOM 2358 HH TYR B 41 6.781 8.835 16.909 1.00 0.00 H ATOM 2359 H TYR B 41 0.234 10.379 11.602 1.00 0.00 H ATOM 2360 N ALA B 42 4.112 11.914 11.528 1.00 12.81 N ATOM 2361 CA ALA B 42 5.167 12.032 10.532 1.00 11.10 C ATOM 2362 C ALA B 42 6.532 12.101 11.201 1.00 10.64 C ATOM 2363 O ALA B 42 6.685 12.703 12.265 1.00 11.07 O ATOM 2364 CB ALA B 42 4.938 13.264 9.677 1.00 11.31 C ATOM 2365 HA ALA B 42 5.143 11.148 9.894 1.00 0.00 H ATOM 2366 HB1 ALA B 42 3.975 13.181 9.172 1.00 0.00 H ATOM 2367 HB2 ALA B 42 4.942 14.151 10.311 1.00 0.00 H ATOM 2368 HB3 ALA B 42 5.733 13.343 8.935 1.00 0.00 H ATOM 2369 H ALA B 42 4.073 12.582 12.324 1.00 0.00 H ATOM 2370 N ILE B 43 7.514 11.463 10.586 1.00 6.94 N ATOM 2371 CA ILE B 43 8.872 11.471 11.120 1.00 10.41 C ATOM 2372 C ILE B 43 9.839 11.854 10.006 1.00 6.51 C ATOM 2373 O ILE B 43 9.789 11.281 8.918 1.00 6.21 O ATOM 2374 CB ILE B 43 9.271 10.079 11.682 1.00 8.74 C ATOM 2375 CG1 ILE B 43 8.340 9.689 12.835 1.00 11.91 C ATOM 2376 CG2 ILE B 43 10.698 10.113 12.196 1.00 11.79 C ATOM 2377 CD1 ILE B 43 8.572 8.277 13.343 1.00 12.47 C ATOM 2378 HA ILE B 43 8.916 12.193 11.936 1.00 0.00 H ATOM 2379 HB ILE B 43 9.187 9.347 10.878 1.00 0.00 H ATOM 2380 HG12 ILE B 43 8.500 10.384 13.659 1.00 0.00 H ATOM 2381 HG13 ILE B 43 7.309 9.768 12.490 1.00 0.00 H ATOM 2382 HD11 ILE B 43 8.405 7.568 12.532 1.00 0.00 H ATOM 2383 HD12 ILE B 43 9.597 8.185 13.702 1.00 0.00 H ATOM 2384 HD13 ILE B 43 7.880 8.067 14.158 1.00 0.00 H ATOM 2385 HG21 ILE B 43 11.371 10.376 11.380 1.00 0.00 H ATOM 2386 HG22 ILE B 43 10.780 10.856 12.989 1.00 0.00 H ATOM 2387 HG23 ILE B 43 10.965 9.131 12.587 1.00 0.00 H ATOM 2388 H ILE B 43 7.315 10.946 9.706 1.00 0.00 H ATOM 2389 N TYR B 44 10.709 12.827 10.280 1.00 7.47 N ATOM 2390 CA TYR B 44 11.688 13.295 9.303 1.00 9.36 C ATOM 2391 C TYR B 44 13.124 13.076 9.784 1.00 8.84 C ATOM 2392 O TYR B 44 13.450 13.338 10.937 1.00 6.43 O ATOM 2393 CB TYR B 44 11.454 14.776 8.997 1.00 11.72 C ATOM 2394 CG TYR B 44 10.091 15.047 8.404 1.00 14.78 C ATOM 2395 CD1 TYR B 44 8.991 15.277 9.225 1.00 15.50 C ATOM 2396 CD2 TYR B 44 9.889 15.027 7.022 1.00 16.92 C ATOM 2397 CE1 TYR B 44 7.727 15.487 8.695 1.00 18.88 C ATOM 2398 CE2 TYR B 44 8.617 15.233 6.473 1.00 17.69 C ATOM 2399 CZ TYR B 44 7.546 15.462 7.322 1.00 20.60 C ATOM 2400 OH TYR B 44 6.290 15.680 6.810 1.00 29.13 O ATOM 2401 HA TYR B 44 11.554 12.710 8.393 1.00 0.00 H ATOM 2402 HB3 TYR B 44 12.214 15.109 8.290 1.00 0.00 H ATOM 2403 HB2 TYR B 44 11.549 15.342 9.924 1.00 0.00 H ATOM 2404 HD2 TYR B 44 10.736 14.848 6.359 1.00 0.00 H ATOM 2405 HE2 TYR B 44 8.472 15.213 5.393 1.00 0.00 H ATOM 2406 HE1 TYR B 44 6.880 15.671 9.356 1.00 0.00 H ATOM 2407 HD1 TYR B 44 9.126 15.292 10.307 1.00 0.00 H ATOM 2408 HH TYR B 44 5.652 15.824 7.553 1.00 0.00 H ATOM 2409 H TYR B 44 10.689 13.268 11.222 1.00 0.00 H ATOM 2410 N LEU B 45 13.972 12.589 8.892 1.00 5.89 N ATOM 2411 CA LEU B 45 15.365 12.315 9.214 1.00 5.99 C ATOM 2412 C LEU B 45 16.289 13.458 8.869 1.00 5.41 C ATOM 2413 O LEU B 45 16.232 13.978 7.757 1.00 5.65 O ATOM 2414 CB LEU B 45 15.846 11.070 8.463 1.00 3.88 C ATOM 2415 CG LEU B 45 17.347 10.760 8.396 1.00 7.74 C ATOM 2416 CD1 LEU B 45 17.901 10.527 9.803 1.00 7.61 C ATOM 2417 CD2 LEU B 45 17.579 9.501 7.536 1.00 6.78 C ATOM 2418 HA LEU B 45 15.400 12.163 10.293 1.00 0.00 H ATOM 2419 HB2 LEU B 45 15.365 10.211 8.932 1.00 0.00 H ATOM 2420 HB3 LEU B 45 15.495 11.164 7.435 1.00 0.00 H ATOM 2421 HG LEU B 45 17.863 11.609 7.947 1.00 0.00 H ATOM 2422 HD21 LEU B 45 17.054 8.656 7.982 1.00 0.00 H ATOM 2423 HD22 LEU B 45 17.200 9.675 6.529 1.00 0.00 H ATOM 2424 HD23 LEU B 45 18.646 9.285 7.491 1.00 0.00 H ATOM 2425 HD11 LEU B 45 17.747 11.422 10.406 1.00 0.00 H ATOM 2426 HD12 LEU B 45 17.382 9.685 10.262 1.00 0.00 H ATOM 2427 HD13 LEU B 45 18.967 10.308 9.741 1.00 0.00 H ATOM 2428 H LEU B 45 13.632 12.396 7.929 1.00 0.00 H ATOM 2429 N ASP B 46 17.143 13.831 9.825 1.00 5.41 N ATOM 2430 CA ASP B 46 18.153 14.873 9.628 1.00 7.12 C ATOM 2431 C ASP B 46 19.435 14.048 9.450 1.00 6.18 C ATOM 2432 O ASP B 46 20.073 13.647 10.430 1.00 4.23 O ATOM 2433 CB ASP B 46 18.260 15.776 10.874 1.00 9.69 C ATOM 2434 CG ASP B 46 19.327 16.864 10.734 1.00 10.24 C ATOM 2435 OD1 ASP B 46 20.296 16.670 9.964 1.00 14.39 O ATOM 2436 OD2 ASP B 46 19.210 17.910 11.411 1.00 11.77 O ATOM 2437 HA ASP B 46 17.936 15.542 8.795 1.00 0.00 H ATOM 2438 HB2 ASP B 46 17.295 16.255 11.040 1.00 0.00 H ATOM 2439 HB3 ASP B 46 18.509 15.154 11.734 1.00 0.00 H ATOM 2440 H ASP B 46 17.089 13.361 10.751 1.00 0.00 H ATOM 2441 N LYS B 47 19.797 13.767 8.202 1.00 6.11 N ATOM 2442 CA LYS B 47 20.980 12.951 7.931 1.00 6.96 C ATOM 2443 C LYS B 47 22.300 13.480 8.497 1.00 5.79 C ATOM 2444 O LYS B 47 23.107 12.707 9.020 1.00 5.94 O ATOM 2445 CB LYS B 47 21.125 12.717 6.421 1.00 8.98 C ATOM 2446 CG LYS B 47 19.961 11.915 5.841 1.00 16.80 C ATOM 2447 CD LYS B 47 20.087 11.678 4.343 1.00 21.01 C ATOM 2448 CE LYS B 47 18.987 10.738 3.860 1.00 23.26 C ATOM 2449 NZ LYS B 47 19.026 10.531 2.386 1.00 28.53 N ATOM 2450 HA LYS B 47 20.796 12.018 8.464 1.00 0.00 H ATOM 2451 HB2 LYS B 47 21.169 13.684 5.919 1.00 0.00 H ATOM 2452 HB3 LYS B 47 22.051 12.172 6.238 1.00 0.00 H ATOM 2453 HG2 LYS B 47 19.921 10.948 6.343 1.00 0.00 H ATOM 2454 HG3 LYS B 47 19.036 12.460 6.030 1.00 0.00 H ATOM 2455 HD2 LYS B 47 20.002 12.630 3.820 1.00 0.00 H ATOM 2456 HD3 LYS B 47 21.059 11.234 4.130 1.00 0.00 H ATOM 2457 HE2 LYS B 47 18.020 11.163 4.129 1.00 0.00 H ATOM 2458 HE3 LYS B 47 19.109 9.773 4.353 1.00 0.00 H ATOM 2459 HZ1 LYS B 47 18.903 11.445 1.905 1.00 0.00 H ATOM 2460 HZ2 LYS B 47 19.943 10.118 2.119 1.00 0.00 H ATOM 2461 HZ3 LYS B 47 18.260 9.885 2.107 1.00 0.00 H ATOM 2462 H LYS B 47 19.232 14.132 7.409 1.00 0.00 H ATOM 2463 N ALA B 48 22.514 14.784 8.402 1.00 5.48 N ATOM 2464 CA ALA B 48 23.749 15.393 8.882 1.00 6.51 C ATOM 2465 C ALA B 48 23.948 15.278 10.389 1.00 6.94 C ATOM 2466 O ALA B 48 25.081 15.151 10.856 1.00 6.17 O ATOM 2467 CB ALA B 48 23.796 16.854 8.480 1.00 7.10 C ATOM 2468 HA ALA B 48 24.561 14.835 8.415 1.00 0.00 H ATOM 2469 HB1 ALA B 48 23.755 16.932 7.394 1.00 0.00 H ATOM 2470 HB2 ALA B 48 22.944 17.377 8.915 1.00 0.00 H ATOM 2471 HB3 ALA B 48 24.722 17.300 8.843 1.00 0.00 H ATOM 2472 H ALA B 48 21.783 15.388 7.975 1.00 0.00 H ATOM 2473 N ARG B 49 22.847 15.302 11.135 1.00 6.31 N ATOM 2474 CA ARG B 49 22.893 15.260 12.591 1.00 5.90 C ATOM 2475 C ARG B 49 22.452 13.957 13.238 1.00 6.54 C ATOM 2476 O ARG B 49 22.506 13.834 14.459 1.00 5.99 O ATOM 2477 CB ARG B 49 22.024 16.388 13.162 1.00 5.42 C ATOM 2478 CG ARG B 49 22.347 17.791 12.653 1.00 8.39 C ATOM 2479 CD ARG B 49 21.569 18.840 13.457 1.00 7.93 C ATOM 2480 NE ARG B 49 21.947 20.223 13.152 1.00 7.64 N ATOM 2481 CZ ARG B 49 21.481 20.934 12.130 1.00 9.15 C ATOM 2482 NH1 ARG B 49 20.606 20.408 11.289 1.00 4.91 N ATOM 2483 NH2 ARG B 49 21.884 22.189 11.961 1.00 8.14 N ATOM 2484 HA ARG B 49 23.951 15.371 12.831 1.00 0.00 H ATOM 2485 HB2 ARG B 49 20.985 16.171 12.912 1.00 0.00 H ATOM 2486 HB3 ARG B 49 22.143 16.388 14.245 1.00 0.00 H ATOM 2487 HG2 ARG B 49 23.416 17.976 12.760 1.00 0.00 H ATOM 2488 HG3 ARG B 49 22.070 17.865 11.601 1.00 0.00 H ATOM 2489 HD2 ARG B 49 21.747 18.661 14.517 1.00 0.00 H ATOM 2490 HD3 ARG B 49 20.507 18.719 13.243 1.00 0.00 H ATOM 2491 HE ARG B 49 22.633 20.684 13.784 1.00 0.00 H ATOM 2492 HH12 ARG B 49 20.247 20.972 10.492 1.00 0.00 H ATOM 2493 HH11 ARG B 49 20.277 19.431 11.425 1.00 0.00 H ATOM 2494 HH22 ARG B 49 21.522 22.748 11.163 1.00 0.00 H ATOM 2495 HH21 ARG B 49 22.562 22.612 12.627 1.00 0.00 H ATOM 2496 H ARG B 49 21.922 15.352 10.663 1.00 0.00 H ATOM 2497 N ASN B 50 22.040 12.975 12.441 1.00 4.53 N ATOM 2498 CA ASN B 50 21.541 11.716 13.003 1.00 6.94 C ATOM 2499 C ASN B 50 20.352 12.019 13.929 1.00 8.47 C ATOM 2500 O ASN B 50 20.251 11.467 15.029 1.00 7.75 O ATOM 2501 CB ASN B 50 22.602 10.996 13.835 1.00 7.30 C ATOM 2502 CG ASN B 50 23.760 10.487 13.010 1.00 5.27 C ATOM 2503 OD1 ASN B 50 23.605 10.146 11.840 1.00 5.67 O ATOM 2504 ND2 ASN B 50 24.926 10.406 13.634 1.00 4.85 N ATOM 2505 HA ASN B 50 21.256 11.076 12.168 1.00 0.00 H ATOM 2506 HB2 ASN B 50 22.987 11.690 14.582 1.00 0.00 H ATOM 2507 HB3 ASN B 50 22.134 10.148 14.336 1.00 0.00 H ATOM 2508 HD22 ASN B 50 25.007 10.707 14.626 1.00 0.00 H ATOM 2509 HD21 ASN B 50 25.760 10.041 13.132 1.00 0.00 H ATOM 2510 H ASN B 50 22.072 13.101 11.409 1.00 0.00 H ATOM 2511 N LEU B 51 19.461 12.895 13.479 1.00 5.78 N ATOM 2512 CA LEU B 51 18.302 13.255 14.267 1.00 8.24 C ATOM 2513 C LEU B 51 17.005 12.911 13.561 1.00 7.81 C ATOM 2514 O LEU B 51 16.923 12.903 12.336 1.00 9.94 O ATOM 2515 CB LEU B 51 18.317 14.751 14.599 1.00 6.96 C ATOM 2516 CG LEU B 51 19.499 15.209 15.454 1.00 7.05 C ATOM 2517 CD1 LEU B 51 19.398 16.705 15.736 1.00 4.03 C ATOM 2518 CD2 LEU B 51 19.501 14.421 16.754 1.00 4.31 C ATOM 2519 HA LEU B 51 18.354 12.674 15.188 1.00 0.00 H ATOM 2520 HB2 LEU B 51 18.342 15.306 13.661 1.00 0.00 H ATOM 2521 HB3 LEU B 51 17.398 14.988 15.136 1.00 0.00 H ATOM 2522 HG LEU B 51 20.431 15.028 14.919 1.00 0.00 H ATOM 2523 HD21 LEU B 51 18.568 14.601 17.288 1.00 0.00 H ATOM 2524 HD22 LEU B 51 19.596 13.358 16.533 1.00 0.00 H ATOM 2525 HD23 LEU B 51 20.341 14.741 17.370 1.00 0.00 H ATOM 2526 HD11 LEU B 51 19.406 17.252 14.793 1.00 0.00 H ATOM 2527 HD12 LEU B 51 18.470 16.911 16.270 1.00 0.00 H ATOM 2528 HD13 LEU B 51 20.246 17.017 16.346 1.00 0.00 H ATOM 2529 H LEU B 51 19.599 13.330 12.544 1.00 0.00 H ATOM 2530 N LEU B 52 15.986 12.637 14.356 1.00 7.75 N ATOM 2531 CA LEU B 52 14.673 12.287 13.835 1.00 7.79 C ATOM 2532 C LEU B 52 13.679 13.258 14.432 1.00 7.73 C ATOM 2533 O LEU B 52 13.455 13.264 15.658 1.00 8.31 O ATOM 2534 CB LEU B 52 14.316 10.854 14.231 1.00 6.09 C ATOM 2535 CG LEU B 52 15.201 9.755 13.629 1.00 6.12 C ATOM 2536 CD1 LEU B 52 14.998 8.462 14.402 1.00 7.56 C ATOM 2537 CD2 LEU B 52 14.873 9.573 12.140 1.00 9.64 C ATOM 2538 HA LEU B 52 14.661 12.346 12.747 1.00 0.00 H ATOM 2539 HB2 LEU B 52 14.382 10.780 15.316 1.00 0.00 H ATOM 2540 HB3 LEU B 52 13.289 10.666 13.918 1.00 0.00 H ATOM 2541 HG LEU B 52 16.250 10.042 13.707 1.00 0.00 H ATOM 2542 HD21 LEU B 52 13.826 9.290 12.032 1.00 0.00 H ATOM 2543 HD22 LEU B 52 15.054 10.509 11.612 1.00 0.00 H ATOM 2544 HD23 LEU B 52 15.507 8.791 11.723 1.00 0.00 H ATOM 2545 HD11 LEU B 52 15.270 8.618 15.446 1.00 0.00 H ATOM 2546 HD12 LEU B 52 13.952 8.163 14.339 1.00 0.00 H ATOM 2547 HD13 LEU B 52 15.627 7.682 13.974 1.00 0.00 H ATOM 2548 H LEU B 52 16.126 12.673 15.386 1.00 0.00 H ATOM 2549 N PHE B 53 13.104 14.107 13.585 1.00 7.62 N ATOM 2550 CA PHE B 53 12.117 15.063 14.072 1.00 9.26 C ATOM 2551 C PHE B 53 10.746 14.485 13.771 1.00 9.51 C ATOM 2552 O PHE B 53 10.416 14.199 12.614 1.00 6.82 O ATOM 2553 CB PHE B 53 12.311 16.432 13.412 1.00 12.42 C ATOM 2554 CG PHE B 53 13.551 17.170 13.888 1.00 15.85 C ATOM 2555 CD1 PHE B 53 14.737 17.141 13.149 1.00 17.36 C ATOM 2556 CD2 PHE B 53 13.529 17.901 15.080 1.00 16.03 C ATOM 2557 CE1 PHE B 53 15.881 17.835 13.590 1.00 15.32 C ATOM 2558 CE2 PHE B 53 14.666 18.592 15.524 1.00 17.62 C ATOM 2559 CZ PHE B 53 15.837 18.556 14.775 1.00 12.18 C ATOM 2560 HA PHE B 53 12.228 15.222 15.145 1.00 0.00 H ATOM 2561 HB2 PHE B 53 12.389 16.287 12.335 1.00 0.00 H ATOM 2562 HB3 PHE B 53 11.438 17.047 13.632 1.00 0.00 H ATOM 2563 HD2 PHE B 53 12.615 17.934 15.673 1.00 0.00 H ATOM 2564 HE2 PHE B 53 14.632 19.157 16.456 1.00 0.00 H ATOM 2565 HZ PHE B 53 16.720 19.094 15.119 1.00 0.00 H ATOM 2566 HE1 PHE B 53 16.798 17.806 13.002 1.00 0.00 H ATOM 2567 HD1 PHE B 53 14.777 16.574 12.219 1.00 0.00 H ATOM 2568 H PHE B 53 13.358 14.089 12.577 1.00 0.00 H ATOM 2569 N ALA B 54 9.955 14.288 14.823 1.00 9.05 N ATOM 2570 CA ALA B 54 8.621 13.700 14.674 1.00 11.35 C ATOM 2571 C ALA B 54 7.519 14.655 15.082 1.00 10.49 C ATOM 2572 O ALA B 54 7.698 15.474 15.975 1.00 8.26 O ATOM 2573 CB ALA B 54 8.517 12.407 15.514 1.00 9.66 C ATOM 2574 HA ALA B 54 8.488 13.474 13.616 1.00 0.00 H ATOM 2575 HB1 ALA B 54 9.265 11.692 15.172 1.00 0.00 H ATOM 2576 HB2 ALA B 54 8.691 12.642 16.564 1.00 0.00 H ATOM 2577 HB3 ALA B 54 7.522 11.978 15.396 1.00 0.00 H ATOM 2578 H ALA B 54 10.290 14.557 15.770 1.00 0.00 H ATOM 2579 N MET B 55 6.373 14.543 14.420 1.00 11.80 N ATOM 2580 CA MET B 55 5.225 15.381 14.743 1.00 16.30 C ATOM 2581 C MET B 55 3.986 14.495 14.641 1.00 16.74 C ATOM 2582 O MET B 55 3.826 13.747 13.673 1.00 10.93 O ATOM 2583 CB MET B 55 5.120 16.547 13.756 1.00 21.22 C ATOM 2584 CG MET B 55 4.084 17.619 14.118 1.00 29.11 C ATOM 2585 SD MET B 55 2.343 17.065 14.125 1.00 32.12 S ATOM 2586 CE MET B 55 1.787 17.639 15.720 1.00 31.96 C ATOM 2587 HA MET B 55 5.324 15.803 15.743 1.00 0.00 H ATOM 2588 HB2 MET B 55 6.096 17.028 13.697 1.00 0.00 H ATOM 2589 HB3 MET B 55 4.857 16.140 12.780 1.00 0.00 H ATOM 2590 HG2 MET B 55 4.175 18.431 13.396 1.00 0.00 H ATOM 2591 HG3 MET B 55 4.321 17.992 15.114 1.00 0.00 H ATOM 2592 HE1 MET B 55 2.389 17.175 16.502 1.00 0.00 H ATOM 2593 HE2 MET B 55 1.894 18.723 15.772 1.00 0.00 H ATOM 2594 HE3 MET B 55 0.740 17.369 15.857 1.00 0.00 H ATOM 2595 H MET B 55 6.293 13.843 13.655 1.00 0.00 H ATOM 2596 N VAL B 56 3.113 14.570 15.636 1.00 16.51 N ATOM 2597 CA VAL B 56 1.898 13.762 15.625 1.00 16.67 C ATOM 2598 C VAL B 56 0.743 14.477 16.315 1.00 19.07 C ATOM 2599 O VAL B 56 0.920 15.132 17.351 1.00 18.48 O ATOM 2600 CB VAL B 56 2.124 12.394 16.332 1.00 18.80 C ATOM 2601 CG1 VAL B 56 2.422 12.609 17.816 1.00 15.93 C ATOM 2602 CG2 VAL B 56 0.902 11.502 16.158 1.00 14.80 C ATOM 2603 HA VAL B 56 1.646 13.597 14.577 1.00 0.00 H ATOM 2604 HB VAL B 56 2.981 11.900 15.874 1.00 0.00 H ATOM 2605 HG11 VAL B 56 3.320 13.218 17.920 1.00 0.00 H ATOM 2606 HG12 VAL B 56 1.580 13.118 18.284 1.00 0.00 H ATOM 2607 HG13 VAL B 56 2.578 11.644 18.298 1.00 0.00 H ATOM 2608 HG21 VAL B 56 0.032 11.991 16.596 1.00 0.00 H ATOM 2609 HG22 VAL B 56 0.727 11.330 15.096 1.00 0.00 H ATOM 2610 HG23 VAL B 56 1.075 10.549 16.658 1.00 0.00 H ATOM 2611 H VAL B 56 3.296 15.212 16.433 1.00 0.00 H ATOM 2612 N GLU B 57 -0.440 14.371 15.726 1.00 17.02 N ATOM 2613 CA GLU B 57 -1.625 14.969 16.321 1.00 17.37 C ATOM 2614 C GLU B 57 -2.325 13.861 17.097 1.00 17.21 C ATOM 2615 O GLU B 57 -2.512 12.760 16.572 1.00 16.95 O ATOM 2616 CB GLU B 57 -2.552 15.511 15.232 1.00 20.56 C ATOM 2617 CG GLU B 57 -2.006 16.723 14.503 1.00 23.87 C ATOM 2618 CD GLU B 57 -2.959 17.239 13.439 1.00 31.19 C ATOM 2619 OE1 GLU B 57 -3.236 16.493 12.479 1.00 34.29 O ATOM 2620 OE2 GLU B 57 -3.434 18.388 13.563 1.00 35.02 O ATOM 2621 HA GLU B 57 -1.358 15.802 16.971 1.00 0.00 H ATOM 2622 HB2 GLU B 57 -2.723 14.720 14.502 1.00 0.00 H ATOM 2623 HB3 GLU B 57 -3.500 15.787 15.695 1.00 0.00 H ATOM 2624 HG2 GLU B 57 -1.828 17.517 15.228 1.00 0.00 H ATOM 2625 HG3 GLU B 57 -1.064 16.450 14.027 1.00 0.00 H ATOM 2626 H GLU B 57 -0.522 13.854 14.827 1.00 0.00 H ATOM 2627 N ILE B 58 -2.691 14.126 18.347 1.00 14.63 N ATOM 2628 CA ILE B 58 -3.374 13.101 19.128 1.00 19.01 C ATOM 2629 C ILE B 58 -4.653 13.623 19.759 1.00 19.52 C ATOM 2630 O ILE B 58 -4.800 14.818 20.009 1.00 20.92 O ATOM 2631 CB ILE B 58 -2.450 12.482 20.227 1.00 19.51 C ATOM 2632 CG1 ILE B 58 -2.221 13.466 21.380 1.00 21.84 C ATOM 2633 CG2 ILE B 58 -1.124 12.041 19.593 1.00 17.53 C ATOM 2634 CD1 ILE B 58 -1.477 14.719 20.998 1.00 22.59 C ATOM 2635 HA ILE B 58 -3.637 12.313 18.422 1.00 0.00 H ATOM 2636 HB ILE B 58 -2.943 11.607 20.651 1.00 0.00 H ATOM 2637 HG12 ILE B 58 -3.193 13.756 21.778 1.00 0.00 H ATOM 2638 HG13 ILE B 58 -1.650 12.955 22.155 1.00 0.00 H ATOM 2639 HD11 ILE B 58 -0.494 14.452 20.610 1.00 0.00 H ATOM 2640 HD12 ILE B 58 -2.038 15.254 20.232 1.00 0.00 H ATOM 2641 HD13 ILE B 58 -1.362 15.354 21.877 1.00 0.00 H ATOM 2642 HG21 ILE B 58 -1.321 11.296 18.822 1.00 0.00 H ATOM 2643 HG22 ILE B 58 -0.631 12.905 19.148 1.00 0.00 H ATOM 2644 HG23 ILE B 58 -0.481 11.610 20.361 1.00 0.00 H ATOM 2645 H ILE B 58 -2.492 15.057 18.765 1.00 0.00 H ATOM 2646 N GLU B 59 -5.593 12.719 19.996 1.00 22.20 N ATOM 2647 CA GLU B 59 -6.861 13.100 20.587 1.00 23.35 C ATOM 2648 C GLU B 59 -6.745 13.211 22.097 1.00 23.74 C ATOM 2649 O GLU B 59 -7.393 14.055 22.706 1.00 27.17 O ATOM 2650 CB GLU B 59 -7.935 12.073 20.223 1.00 22.69 C ATOM 2651 CG GLU B 59 -7.900 11.671 18.754 1.00 23.69 C ATOM 2652 CD GLU B 59 -9.032 10.740 18.358 1.00 27.61 C ATOM 2653 OE1 GLU B 59 -9.312 9.774 19.102 1.00 27.64 O ATOM 2654 OE2 GLU B 59 -9.634 10.970 17.288 1.00 29.86 O ATOM 2655 HA GLU B 59 -7.143 14.076 20.192 1.00 0.00 H ATOM 2656 HB2 GLU B 59 -7.784 11.181 20.831 1.00 0.00 H ATOM 2657 HB3 GLU B 59 -8.913 12.500 20.443 1.00 0.00 H ATOM 2658 HG2 GLU B 59 -7.966 12.574 18.147 1.00 0.00 H ATOM 2659 HG3 GLU B 59 -6.953 11.169 18.555 1.00 0.00 H ATOM 2660 H GLU B 59 -5.419 11.723 19.755 1.00 0.00 H ATOM 2661 N SER B 60 -5.906 12.368 22.694 1.00 25.36 N ATOM 2662 CA SER B 60 -5.730 12.350 24.145 1.00 23.80 C ATOM 2663 C SER B 60 -4.292 12.144 24.599 1.00 22.96 C ATOM 2664 O SER B 60 -3.596 11.247 24.109 1.00 20.09 O ATOM 2665 CB SER B 60 -6.598 11.244 24.757 1.00 24.43 C ATOM 2666 OG SER B 60 -6.166 10.928 26.072 1.00 23.72 O ATOM 2667 HA SER B 60 -6.032 13.339 24.491 1.00 0.00 H ATOM 2668 HB2 SER B 60 -6.530 10.352 24.135 1.00 0.00 H ATOM 2669 HB3 SER B 60 -7.634 11.582 24.793 1.00 0.00 H ATOM 2670 HG SER B 60 -6.741 10.213 26.444 1.00 0.00 H ATOM 2671 H SER B 60 -5.359 11.702 22.111 1.00 0.00 H ATOM 2672 N GLU B 61 -3.859 12.968 25.551 1.00 23.48 N ATOM 2673 CA GLU B 61 -2.508 12.858 26.095 1.00 25.17 C ATOM 2674 C GLU B 61 -2.340 11.497 26.776 1.00 26.02 C ATOM 2675 O GLU B 61 -1.355 10.789 26.551 1.00 25.07 O ATOM 2676 CB GLU B 61 -2.245 13.969 27.126 1.00 25.36 C ATOM 2677 CG GLU B 61 -1.984 15.363 26.556 1.00 23.53 C ATOM 2678 CD GLU B 61 -0.733 15.438 25.685 1.00 20.04 C ATOM 2679 OE1 GLU B 61 0.304 14.827 26.040 1.00 17.73 O ATOM 2680 OE2 GLU B 61 -0.786 16.128 24.647 1.00 23.44 O ATOM 2681 HA GLU B 61 -1.797 12.959 25.275 1.00 0.00 H ATOM 2682 HB2 GLU B 61 -3.116 14.033 27.778 1.00 0.00 H ATOM 2683 HB3 GLU B 61 -1.374 13.680 27.713 1.00 0.00 H ATOM 2684 HG2 GLU B 61 -2.843 15.656 25.953 1.00 0.00 H ATOM 2685 HG3 GLU B 61 -1.870 16.060 27.386 1.00 0.00 H ATOM 2686 H GLU B 61 -4.496 13.705 25.915 1.00 0.00 H ATOM 2687 N GLU B 62 -3.314 11.137 27.607 1.00 28.60 N ATOM 2688 CA GLU B 62 -3.269 9.875 28.333 1.00 29.54 C ATOM 2689 C GLU B 62 -3.281 8.649 27.422 1.00 28.66 C ATOM 2690 O GLU B 62 -2.527 7.702 27.646 1.00 27.94 O ATOM 2691 CB GLU B 62 -4.431 9.791 29.320 1.00 33.18 C ATOM 2692 CG GLU B 62 -4.275 8.670 30.342 1.00 40.62 C ATOM 2693 CD GLU B 62 -5.455 8.573 31.286 1.00 45.63 C ATOM 2694 OE1 GLU B 62 -6.581 8.341 30.792 1.00 48.54 O ATOM 2695 OE2 GLU B 62 -5.259 8.729 32.516 1.00 47.08 O ATOM 2696 HA GLU B 62 -2.318 9.865 28.866 1.00 0.00 H ATOM 2697 HB2 GLU B 62 -4.501 10.739 29.854 1.00 0.00 H ATOM 2698 HB3 GLU B 62 -5.350 9.623 28.759 1.00 0.00 H ATOM 2699 HG2 GLU B 62 -4.175 7.724 29.810 1.00 0.00 H ATOM 2700 HG3 GLU B 62 -3.374 8.854 30.927 1.00 0.00 H ATOM 2701 H GLU B 62 -4.127 11.772 27.742 1.00 0.00 H ATOM 2702 N ARG B 63 -4.135 8.661 26.401 1.00 25.07 N ATOM 2703 CA ARG B 63 -4.210 7.535 25.474 1.00 25.12 C ATOM 2704 C ARG B 63 -2.901 7.376 24.708 1.00 23.72 C ATOM 2705 O ARG B 63 -2.401 6.262 24.525 1.00 21.98 O ATOM 2706 CB ARG B 63 -5.357 7.725 24.489 1.00 24.64 C ATOM 2707 CG ARG B 63 -6.714 7.346 25.043 1.00 25.48 C ATOM 2708 CD ARG B 63 -7.823 7.827 24.124 1.00 23.74 C ATOM 2709 NE ARG B 63 -7.786 7.193 22.809 1.00 24.60 N ATOM 2710 CZ ARG B 63 -8.384 7.696 21.732 1.00 24.96 C ATOM 2711 NH1 ARG B 63 -9.055 8.836 21.816 1.00 22.23 N ATOM 2712 NH2 ARG B 63 -8.322 7.057 20.575 1.00 23.30 N ATOM 2713 HA ARG B 63 -4.389 6.633 26.060 1.00 0.00 H ATOM 2714 HB2 ARG B 63 -5.387 8.774 24.196 1.00 0.00 H ATOM 2715 HB3 ARG B 63 -5.161 7.109 23.611 1.00 0.00 H ATOM 2716 HG2 ARG B 63 -6.772 6.262 25.137 1.00 0.00 H ATOM 2717 HG3 ARG B 63 -6.840 7.802 26.025 1.00 0.00 H ATOM 2718 HD2 ARG B 63 -7.724 8.905 23.994 1.00 0.00 H ATOM 2719 HD3 ARG B 63 -8.783 7.605 24.591 1.00 0.00 H ATOM 2720 HE ARG B 63 -7.264 6.299 22.709 1.00 0.00 H ATOM 2721 HH12 ARG B 63 -9.522 9.228 20.973 1.00 0.00 H ATOM 2722 HH11 ARG B 63 -9.115 9.339 22.725 1.00 0.00 H ATOM 2723 HH22 ARG B 63 -8.791 7.454 19.736 1.00 0.00 H ATOM 2724 HH21 ARG B 63 -7.804 6.158 20.505 1.00 0.00 H ATOM 2725 H ARG B 63 -4.757 9.483 26.262 1.00 0.00 H ATOM 2726 N TRP B 64 -2.352 8.496 24.251 1.00 21.48 N ATOM 2727 CA TRP B 64 -1.091 8.462 23.531 1.00 19.56 C ATOM 2728 C TRP B 64 -0.023 7.871 24.457 1.00 20.41 C ATOM 2729 O TRP B 64 0.788 7.044 24.032 1.00 20.11 O ATOM 2730 CB TRP B 64 -0.698 9.873 23.093 1.00 17.41 C ATOM 2731 CG TRP B 64 0.635 9.933 22.417 1.00 16.76 C ATOM 2732 CD1 TRP B 64 1.748 10.570 22.867 1.00 15.86 C ATOM 2733 CD2 TRP B 64 0.996 9.319 21.173 1.00 15.70 C ATOM 2734 NE1 TRP B 64 2.782 10.394 21.983 1.00 17.35 N ATOM 2735 CE2 TRP B 64 2.346 9.629 20.932 1.00 18.93 C ATOM 2736 CE3 TRP B 64 0.304 8.535 20.237 1.00 19.03 C ATOM 2737 CZ2 TRP B 64 3.030 9.181 19.787 1.00 21.14 C ATOM 2738 CZ3 TRP B 64 0.980 8.091 19.100 1.00 19.91 C ATOM 2739 CH2 TRP B 64 2.328 8.417 18.886 1.00 18.65 C ATOM 2740 HA TRP B 64 -1.185 7.846 22.637 1.00 0.00 H ATOM 2741 HB2 TRP B 64 -1.454 10.244 22.401 1.00 0.00 H ATOM 2742 HB3 TRP B 64 -0.668 10.514 23.974 1.00 0.00 H ATOM 2743 HE1 TRP B 64 3.742 10.779 22.092 1.00 0.00 H ATOM 2744 HD1 TRP B 64 1.810 11.138 23.795 1.00 0.00 H ATOM 2745 HZ2 TRP B 64 4.078 9.431 19.621 1.00 0.00 H ATOM 2746 HH2 TRP B 64 2.828 8.057 17.987 1.00 0.00 H ATOM 2747 HZ3 TRP B 64 0.453 7.481 18.366 1.00 0.00 H ATOM 2748 HE3 TRP B 64 -0.743 8.277 20.395 1.00 0.00 H ATOM 2749 H TRP B 64 -2.830 9.406 24.410 1.00 0.00 H ATOM 2750 N ASN B 65 -0.038 8.291 25.722 1.00 18.26 N ATOM 2751 CA ASN B 65 0.928 7.806 26.713 1.00 22.54 C ATOM 2752 C ASN B 65 0.742 6.312 26.999 1.00 20.75 C ATOM 2753 O ASN B 65 1.685 5.614 27.369 1.00 20.32 O ATOM 2754 CB ASN B 65 0.794 8.593 28.030 1.00 24.68 C ATOM 2755 CG ASN B 65 1.505 9.943 27.995 1.00 29.24 C ATOM 2756 OD1 ASN B 65 1.345 10.722 27.057 1.00 33.85 O ATOM 2757 ND2 ASN B 65 2.288 10.224 29.033 1.00 31.67 N ATOM 2758 HA ASN B 65 1.922 7.959 26.293 1.00 0.00 H ATOM 2759 HB2 ASN B 65 -0.265 8.763 28.227 1.00 0.00 H ATOM 2760 HB3 ASN B 65 1.221 7.996 28.836 1.00 0.00 H ATOM 2761 HD22 ASN B 65 2.395 9.536 29.805 1.00 0.00 H ATOM 2762 HD21 ASN B 65 2.793 11.132 29.072 1.00 0.00 H ATOM 2763 H ASN B 65 -0.756 8.984 26.015 1.00 0.00 H ATOM 2764 N ALA B 66 -0.479 5.825 26.822 1.00 20.44 N ATOM 2765 CA ALA B 66 -0.780 4.421 27.075 1.00 21.04 C ATOM 2766 C ALA B 66 -0.171 3.468 26.048 1.00 18.77 C ATOM 2767 O ALA B 66 -0.060 2.268 26.304 1.00 18.38 O ATOM 2768 CB ALA B 66 -2.292 4.221 27.144 1.00 20.27 C ATOM 2769 HA ALA B 66 -0.320 4.172 28.031 1.00 0.00 H ATOM 2770 HB1 ALA B 66 -2.701 4.829 27.951 1.00 0.00 H ATOM 2771 HB2 ALA B 66 -2.741 4.522 26.197 1.00 0.00 H ATOM 2772 HB3 ALA B 66 -2.510 3.170 27.333 1.00 0.00 H ATOM 2773 H ALA B 66 -1.237 6.458 26.496 1.00 0.00 H ATOM 2774 N VAL B 67 0.245 3.991 24.896 1.00 19.73 N ATOM 2775 CA VAL B 67 0.822 3.129 23.868 1.00 16.70 C ATOM 2776 C VAL B 67 2.036 2.362 24.384 1.00 17.96 C ATOM 2777 O VAL B 67 2.258 1.218 23.996 1.00 16.43 O ATOM 2778 CB VAL B 67 1.244 3.921 22.622 1.00 16.43 C ATOM 2779 CG1 VAL B 67 1.811 2.972 21.579 1.00 19.46 C ATOM 2780 CG2 VAL B 67 0.061 4.663 22.046 1.00 13.43 C ATOM 2781 HA VAL B 67 0.034 2.425 23.599 1.00 0.00 H ATOM 2782 HB VAL B 67 2.008 4.645 22.908 1.00 0.00 H ATOM 2783 HG11 VAL B 67 2.679 2.457 21.992 1.00 0.00 H ATOM 2784 HG12 VAL B 67 1.051 2.241 21.303 1.00 0.00 H ATOM 2785 HG13 VAL B 67 2.109 3.539 20.697 1.00 0.00 H ATOM 2786 HG21 VAL B 67 -0.714 3.949 21.768 1.00 0.00 H ATOM 2787 HG22 VAL B 67 -0.331 5.355 22.792 1.00 0.00 H ATOM 2788 HG23 VAL B 67 0.377 5.219 21.164 1.00 0.00 H ATOM 2789 H VAL B 67 0.159 5.014 24.728 1.00 0.00 H ATOM 2790 N ALA B 68 2.805 2.988 25.272 1.00 17.70 N ATOM 2791 CA ALA B 68 3.999 2.367 25.839 1.00 19.83 C ATOM 2792 C ALA B 68 3.686 1.143 26.701 1.00 21.65 C ATOM 2793 O ALA B 68 4.559 0.312 26.941 1.00 22.46 O ATOM 2794 CB ALA B 68 4.774 3.395 26.663 1.00 21.43 C ATOM 2795 HA ALA B 68 4.603 2.018 25.001 1.00 0.00 H ATOM 2796 HB1 ALA B 68 5.068 4.226 26.021 1.00 0.00 H ATOM 2797 HB2 ALA B 68 4.141 3.764 27.470 1.00 0.00 H ATOM 2798 HB3 ALA B 68 5.664 2.926 27.083 1.00 0.00 H ATOM 2799 H ALA B 68 2.547 3.950 25.572 1.00 0.00 H ATOM 2800 N SER B 69 2.445 1.039 27.169 1.00 19.68 N ATOM 2801 CA SER B 69 2.030 -0.087 28.007 1.00 18.80 C ATOM 2802 C SER B 69 1.636 -1.314 27.187 1.00 16.20 C ATOM 2803 O SER B 69 1.540 -2.414 27.730 1.00 16.65 O ATOM 2804 CB SER B 69 0.842 0.311 28.900 1.00 16.25 C ATOM 2805 OG SER B 69 1.217 1.241 29.898 1.00 21.11 O ATOM 2806 HA SER B 69 2.894 -0.347 28.619 1.00 0.00 H ATOM 2807 HB2 SER B 69 0.449 -0.584 29.382 1.00 0.00 H ATOM 2808 HB3 SER B 69 0.067 0.757 28.277 1.00 0.00 H ATOM 2809 HG SER B 69 0.426 1.470 30.448 1.00 0.00 H ATOM 2810 H SER B 69 1.751 1.777 26.933 1.00 0.00 H ATOM 2811 N THR B 70 1.399 -1.127 25.889 1.00 16.66 N ATOM 2812 CA THR B 70 0.997 -2.240 25.036 1.00 14.98 C ATOM 2813 C THR B 70 2.157 -3.134 24.672 1.00 15.87 C ATOM 2814 O THR B 70 3.305 -2.689 24.555 1.00 14.35 O ATOM 2815 CB THR B 70 0.347 -1.781 23.714 1.00 13.78 C ATOM 2816 OG1 THR B 70 1.323 -1.123 22.891 1.00 14.19 O ATOM 2817 CG2 THR B 70 -0.819 -0.855 23.986 1.00 13.74 C ATOM 2818 HA THR B 70 0.269 -2.787 25.636 1.00 0.00 H ATOM 2819 HB THR B 70 -0.028 -2.658 23.188 1.00 0.00 H ATOM 2820 HG1 THR B 70 1.680 -0.334 23.371 1.00 0.00 H ATOM 2821 HG23 THR B 70 -1.550 -1.368 24.611 1.00 0.00 H ATOM 2822 HG21 THR B 70 -0.461 0.037 24.501 1.00 0.00 H ATOM 2823 HG22 THR B 70 -1.283 -0.569 23.042 1.00 0.00 H ATOM 2824 H THR B 70 1.502 -0.177 25.479 1.00 0.00 H ATOM 2825 N ASP B 71 1.844 -4.409 24.485 1.00 16.33 N ATOM 2826 CA ASP B 71 2.853 -5.384 24.138 1.00 14.65 C ATOM 2827 C ASP B 71 3.493 -5.055 22.793 1.00 12.42 C ATOM 2828 O ASP B 71 4.716 -5.077 22.668 1.00 10.74 O ATOM 2829 CB ASP B 71 2.243 -6.783 24.093 1.00 17.85 C ATOM 2830 CG ASP B 71 3.283 -7.856 23.810 1.00 19.41 C ATOM 2831 OD1 ASP B 71 4.228 -8.011 24.622 1.00 18.56 O ATOM 2832 OD2 ASP B 71 3.159 -8.536 22.769 1.00 23.50 O ATOM 2833 HA ASP B 71 3.627 -5.354 24.905 1.00 0.00 H ATOM 2834 HB2 ASP B 71 1.775 -6.993 25.055 1.00 0.00 H ATOM 2835 HB3 ASP B 71 1.487 -6.811 23.308 1.00 0.00 H ATOM 2836 H ASP B 71 0.855 -4.713 24.590 1.00 0.00 H ATOM 2837 N VAL B 72 2.679 -4.742 21.790 1.00 10.05 N ATOM 2838 CA VAL B 72 3.238 -4.448 20.482 1.00 13.09 C ATOM 2839 C VAL B 72 4.199 -3.256 20.499 1.00 10.77 C ATOM 2840 O VAL B 72 5.241 -3.329 19.872 1.00 12.75 O ATOM 2841 CB VAL B 72 2.135 -4.237 19.406 1.00 12.38 C ATOM 2842 CG1 VAL B 72 1.367 -2.956 19.672 1.00 12.18 C ATOM 2843 CG2 VAL B 72 2.771 -4.234 18.005 1.00 13.61 C ATOM 2844 HA VAL B 72 3.817 -5.331 20.209 1.00 0.00 H ATOM 2845 HB VAL B 72 1.422 -5.060 19.456 1.00 0.00 H ATOM 2846 HG11 VAL B 72 0.897 -3.013 20.654 1.00 0.00 H ATOM 2847 HG12 VAL B 72 2.054 -2.110 19.645 1.00 0.00 H ATOM 2848 HG13 VAL B 72 0.601 -2.828 18.908 1.00 0.00 H ATOM 2849 HG21 VAL B 72 3.500 -3.426 17.940 1.00 0.00 H ATOM 2850 HG22 VAL B 72 3.268 -5.188 17.831 1.00 0.00 H ATOM 2851 HG23 VAL B 72 1.994 -4.086 17.255 1.00 0.00 H ATOM 2852 H VAL B 72 1.651 -4.708 21.940 1.00 0.00 H ATOM 2853 N CYS B 73 3.870 -2.174 21.205 1.00 11.50 N ATOM 2854 CA CYS B 73 4.793 -1.035 21.246 1.00 12.93 C ATOM 2855 C CYS B 73 6.070 -1.465 21.952 1.00 13.30 C ATOM 2856 O CYS B 73 7.169 -1.064 21.566 1.00 11.95 O ATOM 2857 CB CYS B 73 4.194 0.169 21.980 1.00 12.45 C ATOM 2858 SG CYS B 73 5.217 1.681 21.888 1.00 13.07 S ATOM 2859 HA CYS B 73 4.996 -0.728 20.220 1.00 0.00 H ATOM 2860 HB2 CYS B 73 4.069 -0.097 23.030 1.00 0.00 H ATOM 2861 HB3 CYS B 73 3.220 0.387 21.543 1.00 0.00 H ATOM 2862 HG CYS B 73 4.592 2.700 22.577 1.00 0.00 H ATOM 2863 H CYS B 73 2.968 -2.138 21.721 1.00 0.00 H ATOM 2864 N GLN B 74 5.922 -2.295 22.980 1.00 12.84 N ATOM 2865 CA GLN B 74 7.079 -2.776 23.730 1.00 14.42 C ATOM 2866 C GLN B 74 7.990 -3.633 22.845 1.00 15.14 C ATOM 2867 O GLN B 74 9.212 -3.434 22.817 1.00 14.11 O ATOM 2868 CB GLN B 74 6.612 -3.567 24.962 1.00 14.16 C ATOM 2869 CG GLN B 74 6.268 -2.686 26.177 1.00 12.54 C ATOM 2870 CD GLN B 74 5.392 -3.402 27.196 1.00 14.22 C ATOM 2871 OE1 GLN B 74 5.471 -4.618 27.348 1.00 17.49 O ATOM 2872 NE2 GLN B 74 4.561 -2.647 27.906 1.00 16.39 N ATOM 2873 HA GLN B 74 7.659 -1.916 24.064 1.00 0.00 H ATOM 2874 HB2 GLN B 74 5.724 -4.136 24.688 1.00 0.00 H ATOM 2875 HB3 GLN B 74 7.407 -4.254 25.250 1.00 0.00 H ATOM 2876 HG2 GLN B 74 7.196 -2.387 26.664 1.00 0.00 H ATOM 2877 HG3 GLN B 74 5.741 -1.799 25.826 1.00 0.00 H ATOM 2878 HE22 GLN B 74 4.526 -1.620 27.745 1.00 0.00 H ATOM 2879 HE21 GLN B 74 3.946 -3.083 28.622 1.00 0.00 H ATOM 2880 H GLN B 74 4.968 -2.606 23.254 1.00 0.00 H ATOM 2881 N ARG B 75 7.416 -4.580 22.110 1.00 13.90 N ATOM 2882 CA ARG B 75 8.264 -5.388 21.256 1.00 15.56 C ATOM 2883 C ARG B 75 8.802 -4.572 20.086 1.00 15.20 C ATOM 2884 O ARG B 75 9.900 -4.839 19.593 1.00 15.33 O ATOM 2885 CB ARG B 75 7.542 -6.660 20.810 1.00 16.42 C ATOM 2886 CG ARG B 75 7.668 -7.723 21.906 1.00 21.62 C ATOM 2887 CD ARG B 75 7.344 -9.128 21.461 1.00 19.34 C ATOM 2888 NE ARG B 75 8.214 -9.649 20.404 1.00 15.36 N ATOM 2889 CZ ARG B 75 9.487 -10.014 20.554 1.00 14.08 C ATOM 2890 NH1 ARG B 75 10.096 -9.915 21.728 1.00 6.26 N ATOM 2891 NH2 ARG B 75 10.140 -10.519 19.517 1.00 13.80 N ATOM 2892 HA ARG B 75 9.130 -5.709 21.834 1.00 0.00 H ATOM 2893 HB2 ARG B 75 6.489 -6.439 20.635 1.00 0.00 H ATOM 2894 HB3 ARG B 75 7.992 -7.031 19.889 1.00 0.00 H ATOM 2895 HG2 ARG B 75 8.694 -7.711 22.275 1.00 0.00 H ATOM 2896 HG3 ARG B 75 6.989 -7.458 22.716 1.00 0.00 H ATOM 2897 HD2 ARG B 75 6.318 -9.140 21.094 1.00 0.00 H ATOM 2898 HD3 ARG B 75 7.427 -9.786 22.326 1.00 0.00 H ATOM 2899 HE ARG B 75 7.802 -9.742 19.453 1.00 0.00 H ATOM 2900 HH12 ARG B 75 11.090 -10.205 21.824 1.00 0.00 H ATOM 2901 HH11 ARG B 75 9.580 -9.547 22.552 1.00 0.00 H ATOM 2902 HH22 ARG B 75 11.134 -10.808 19.619 1.00 0.00 H ATOM 2903 HH21 ARG B 75 9.659 -10.626 18.601 1.00 0.00 H ATOM 2904 H ARG B 75 6.389 -4.737 22.147 1.00 0.00 H ATOM 2905 N TRP B 76 8.058 -3.550 19.675 1.00 13.95 N ATOM 2906 CA TRP B 76 8.533 -2.682 18.603 1.00 15.15 C ATOM 2907 C TRP B 76 9.770 -1.930 19.094 1.00 13.32 C ATOM 2908 O TRP B 76 10.799 -1.893 18.425 1.00 13.11 O ATOM 2909 CB TRP B 76 7.462 -1.674 18.207 1.00 11.29 C ATOM 2910 CG TRP B 76 7.940 -0.627 17.234 1.00 11.64 C ATOM 2911 CD1 TRP B 76 8.251 0.678 17.512 1.00 13.67 C ATOM 2912 CD2 TRP B 76 8.130 -0.791 15.824 1.00 14.21 C ATOM 2913 NE1 TRP B 76 8.617 1.333 16.357 1.00 16.91 N ATOM 2914 CE2 TRP B 76 8.550 0.455 15.307 1.00 13.77 C ATOM 2915 CE3 TRP B 76 7.982 -1.871 14.943 1.00 13.54 C ATOM 2916 CZ2 TRP B 76 8.824 0.648 13.946 1.00 15.20 C ATOM 2917 CZ3 TRP B 76 8.257 -1.674 13.587 1.00 13.41 C ATOM 2918 CH2 TRP B 76 8.670 -0.426 13.107 1.00 13.03 C ATOM 2919 HA TRP B 76 8.773 -3.293 17.733 1.00 0.00 H ATOM 2920 HB2 TRP B 76 6.633 -2.215 17.750 1.00 0.00 H ATOM 2921 HB3 TRP B 76 7.113 -1.171 19.109 1.00 0.00 H ATOM 2922 HE1 TRP B 76 8.899 2.332 16.292 1.00 0.00 H ATOM 2923 HD1 TRP B 76 8.214 1.132 18.502 1.00 0.00 H ATOM 2924 HZ2 TRP B 76 9.148 1.618 13.568 1.00 0.00 H ATOM 2925 HH2 TRP B 76 8.874 -0.305 12.043 1.00 0.00 H ATOM 2926 HZ3 TRP B 76 8.148 -2.506 12.892 1.00 0.00 H ATOM 2927 HE3 TRP B 76 7.659 -2.846 15.308 1.00 0.00 H ATOM 2928 H TRP B 76 7.135 -3.369 20.119 1.00 0.00 H ATOM 2929 N TRP B 77 9.668 -1.325 20.272 1.00 14.65 N ATOM 2930 CA TRP B 77 10.791 -0.577 20.811 1.00 11.24 C ATOM 2931 C TRP B 77 12.005 -1.449 21.098 1.00 13.23 C ATOM 2932 O TRP B 77 13.147 -1.000 20.945 1.00 11.28 O ATOM 2933 CB TRP B 77 10.358 0.197 22.061 1.00 13.74 C ATOM 2934 CG TRP B 77 9.585 1.464 21.742 1.00 8.99 C ATOM 2935 CD1 TRP B 77 9.528 2.107 20.539 1.00 5.97 C ATOM 2936 CD2 TRP B 77 8.831 2.267 22.661 1.00 8.70 C ATOM 2937 NE1 TRP B 77 8.788 3.262 20.648 1.00 7.64 N ATOM 2938 CE2 TRP B 77 8.349 3.387 21.938 1.00 9.97 C ATOM 2939 CE3 TRP B 77 8.519 2.152 24.025 1.00 8.87 C ATOM 2940 CZ2 TRP B 77 7.566 4.389 22.535 1.00 8.54 C ATOM 2941 CZ3 TRP B 77 7.740 3.155 24.621 1.00 14.19 C ATOM 2942 CH2 TRP B 77 7.275 4.257 23.872 1.00 14.57 C ATOM 2943 HA TRP B 77 11.104 0.130 20.043 1.00 0.00 H ATOM 2944 HB2 TRP B 77 9.726 -0.451 22.668 1.00 0.00 H ATOM 2945 HB3 TRP B 77 11.249 0.468 22.627 1.00 0.00 H ATOM 2946 HE1 TRP B 77 8.594 3.931 19.876 1.00 0.00 H ATOM 2947 HD1 TRP B 77 10.001 1.755 19.622 1.00 0.00 H ATOM 2948 HZ2 TRP B 77 7.202 5.240 21.959 1.00 0.00 H ATOM 2949 HH2 TRP B 77 6.672 5.020 24.364 1.00 0.00 H ATOM 2950 HZ3 TRP B 77 7.490 3.082 25.679 1.00 0.00 H ATOM 2951 HE3 TRP B 77 8.874 1.302 24.608 1.00 0.00 H ATOM 2952 H TRP B 77 8.781 -1.387 20.811 1.00 0.00 H ATOM 2953 N LYS B 78 11.778 -2.688 21.524 1.00 13.08 N ATOM 2954 CA LYS B 78 12.894 -3.599 21.790 1.00 11.38 C ATOM 2955 C LYS B 78 13.568 -3.833 20.442 1.00 9.11 C ATOM 2956 O LYS B 78 14.795 -3.793 20.319 1.00 10.04 O ATOM 2957 CB LYS B 78 12.378 -4.932 22.362 1.00 10.67 C ATOM 2958 CG LYS B 78 13.436 -6.038 22.503 1.00 14.06 C ATOM 2959 CD LYS B 78 12.826 -7.318 23.099 1.00 15.92 C ATOM 2960 CE LYS B 78 13.864 -8.418 23.302 1.00 15.34 C ATOM 2961 NZ LYS B 78 14.536 -8.823 22.034 1.00 13.66 N ATOM 2962 HA LYS B 78 13.585 -3.180 22.522 1.00 0.00 H ATOM 2963 HB2 LYS B 78 11.961 -4.736 23.350 1.00 0.00 H ATOM 2964 HB3 LYS B 78 11.591 -5.300 21.703 1.00 0.00 H ATOM 2965 HG2 LYS B 78 13.847 -6.264 21.519 1.00 0.00 H ATOM 2966 HG3 LYS B 78 14.234 -5.686 23.157 1.00 0.00 H ATOM 2967 HD2 LYS B 78 12.378 -7.077 24.063 1.00 0.00 H ATOM 2968 HD3 LYS B 78 12.054 -7.686 22.423 1.00 0.00 H ATOM 2969 HE2 LYS B 78 13.368 -9.291 23.727 1.00 0.00 H ATOM 2970 HE3 LYS B 78 14.622 -8.057 23.998 1.00 0.00 H ATOM 2971 HZ1 LYS B 78 13.824 -9.178 21.364 1.00 0.00 H ATOM 2972 HZ2 LYS B 78 15.022 -8.001 21.622 1.00 0.00 H ATOM 2973 HZ3 LYS B 78 15.229 -9.572 22.234 1.00 0.00 H ATOM 2974 H LYS B 78 10.801 -3.013 21.669 1.00 0.00 H ATOM 2975 N TYR B 79 12.749 -4.064 19.430 1.00 8.30 N ATOM 2976 CA TYR B 79 13.226 -4.307 18.067 1.00 12.60 C ATOM 2977 C TYR B 79 14.052 -3.134 17.537 1.00 12.29 C ATOM 2978 O TYR B 79 15.115 -3.325 16.943 1.00 11.35 O ATOM 2979 CB TYR B 79 12.019 -4.562 17.161 1.00 14.94 C ATOM 2980 CG TYR B 79 12.298 -4.604 15.676 1.00 20.59 C ATOM 2981 CD1 TYR B 79 13.323 -5.396 15.152 1.00 21.47 C ATOM 2982 CD2 TYR B 79 11.502 -3.884 14.787 1.00 20.91 C ATOM 2983 CE1 TYR B 79 13.542 -5.471 13.768 1.00 25.32 C ATOM 2984 CE2 TYR B 79 11.709 -3.948 13.412 1.00 25.35 C ATOM 2985 CZ TYR B 79 12.728 -4.744 12.909 1.00 24.35 C ATOM 2986 OH TYR B 79 12.925 -4.816 11.548 1.00 31.62 O ATOM 2987 HA TYR B 79 13.880 -5.179 18.076 1.00 0.00 H ATOM 2988 HB3 TYR B 79 11.294 -3.769 17.341 1.00 0.00 H ATOM 2989 HB2 TYR B 79 11.585 -5.521 17.446 1.00 0.00 H ATOM 2990 HD2 TYR B 79 10.700 -3.257 15.177 1.00 0.00 H ATOM 2991 HE2 TYR B 79 11.075 -3.376 12.735 1.00 0.00 H ATOM 2992 HE1 TYR B 79 14.343 -6.094 13.371 1.00 0.00 H ATOM 2993 HD1 TYR B 79 13.962 -5.964 15.828 1.00 0.00 H ATOM 2994 HH TYR B 79 12.106 -5.166 11.115 1.00 0.00 H ATOM 2995 H TYR B 79 11.725 -4.073 19.609 1.00 0.00 H ATOM 2996 N MET B 80 13.572 -1.919 17.784 1.00 13.12 N ATOM 2997 CA MET B 80 14.249 -0.718 17.307 1.00 12.90 C ATOM 2998 C MET B 80 15.545 -0.330 18.025 1.00 12.89 C ATOM 2999 O MET B 80 16.291 0.529 17.542 1.00 8.36 O ATOM 3000 CB MET B 80 13.276 0.462 17.323 1.00 11.45 C ATOM 3001 CG MET B 80 12.092 0.304 16.359 1.00 12.47 C ATOM 3002 SD MET B 80 12.573 0.078 14.620 1.00 11.01 S ATOM 3003 CE MET B 80 13.186 1.700 14.263 1.00 8.10 C ATOM 3004 HA MET B 80 14.568 -0.971 16.296 1.00 0.00 H ATOM 3005 HB2 MET B 80 12.884 0.570 18.334 1.00 0.00 H ATOM 3006 HB3 MET B 80 13.824 1.363 17.049 1.00 0.00 H ATOM 3007 HG2 MET B 80 11.472 1.198 16.429 1.00 0.00 H ATOM 3008 HG3 MET B 80 11.512 -0.565 16.669 1.00 0.00 H ATOM 3009 HE1 MET B 80 12.390 2.429 14.413 1.00 0.00 H ATOM 3010 HE2 MET B 80 14.019 1.927 14.929 1.00 0.00 H ATOM 3011 HE3 MET B 80 13.526 1.739 13.228 1.00 0.00 H ATOM 3012 H MET B 80 12.692 -1.822 18.331 1.00 0.00 H ATOM 3013 N THR B 81 15.827 -0.946 19.170 1.00 11.19 N ATOM 3014 CA THR B 81 17.052 -0.602 19.882 1.00 13.35 C ATOM 3015 C THR B 81 18.299 -0.896 19.062 1.00 13.38 C ATOM 3016 O THR B 81 19.361 -0.349 19.337 1.00 15.17 O ATOM 3017 CB THR B 81 17.197 -1.365 21.205 1.00 13.99 C ATOM 3018 OG1 THR B 81 17.310 -2.767 20.931 1.00 13.69 O ATOM 3019 CG2 THR B 81 16.004 -1.106 22.108 1.00 14.80 C ATOM 3020 HA THR B 81 16.966 0.468 20.073 1.00 0.00 H ATOM 3021 HB THR B 81 18.094 -1.018 21.718 1.00 0.00 H ATOM 3022 HG1 THR B 81 16.498 -3.076 20.456 1.00 0.00 H ATOM 3023 HG23 THR B 81 15.928 -0.038 22.310 1.00 0.00 H ATOM 3024 HG21 THR B 81 15.095 -1.450 21.614 1.00 0.00 H ATOM 3025 HG22 THR B 81 16.136 -1.646 23.046 1.00 0.00 H ATOM 3026 H THR B 81 15.181 -1.665 19.553 1.00 0.00 H ATOM 3027 N ASP B 82 18.203 -1.752 18.052 1.00 12.70 N ATOM 3028 CA ASP B 82 19.412 -2.022 17.296 1.00 14.52 C ATOM 3029 C ASP B 82 19.741 -0.952 16.259 1.00 11.18 C ATOM 3030 O ASP B 82 20.821 -0.973 15.681 1.00 8.16 O ATOM 3031 CB ASP B 82 19.384 -3.415 16.651 1.00 18.71 C ATOM 3032 CG ASP B 82 18.190 -3.631 15.765 1.00 24.27 C ATOM 3033 OD1 ASP B 82 17.639 -2.638 15.249 1.00 29.37 O ATOM 3034 OD2 ASP B 82 17.811 -4.810 15.574 1.00 26.73 O ATOM 3035 HA ASP B 82 20.218 -1.997 18.030 1.00 0.00 H ATOM 3036 HB2 ASP B 82 20.287 -3.539 16.053 1.00 0.00 H ATOM 3037 HB3 ASP B 82 19.369 -4.164 17.443 1.00 0.00 H ATOM 3038 H ASP B 82 17.300 -2.209 17.813 1.00 0.00 H ATOM 3039 N VAL B 83 18.827 -0.011 16.028 1.00 8.54 N ATOM 3040 CA VAL B 83 19.120 1.053 15.063 1.00 8.05 C ATOM 3041 C VAL B 83 19.140 2.459 15.666 1.00 8.05 C ATOM 3042 O VAL B 83 19.485 3.422 14.981 1.00 5.64 O ATOM 3043 CB VAL B 83 18.125 1.043 13.870 1.00 6.83 C ATOM 3044 CG1 VAL B 83 18.295 -0.244 13.058 1.00 7.86 C ATOM 3045 CG2 VAL B 83 16.703 1.167 14.358 1.00 9.24 C ATOM 3046 HA VAL B 83 20.128 0.825 14.716 1.00 0.00 H ATOM 3047 HB VAL B 83 18.343 1.899 13.231 1.00 0.00 H ATOM 3048 HG11 VAL B 83 19.314 -0.299 12.676 1.00 0.00 H ATOM 3049 HG12 VAL B 83 18.098 -1.104 13.698 1.00 0.00 H ATOM 3050 HG13 VAL B 83 17.593 -0.241 12.224 1.00 0.00 H ATOM 3051 HG21 VAL B 83 16.472 0.330 15.016 1.00 0.00 H ATOM 3052 HG22 VAL B 83 16.588 2.103 14.905 1.00 0.00 H ATOM 3053 HG23 VAL B 83 16.025 1.158 13.504 1.00 0.00 H ATOM 3054 H VAL B 83 17.915 -0.031 16.527 1.00 0.00 H ATOM 3055 N MET B 84 18.796 2.587 16.943 1.00 7.82 N ATOM 3056 CA MET B 84 18.762 3.917 17.557 1.00 8.58 C ATOM 3057 C MET B 84 18.923 3.911 19.078 1.00 9.77 C ATOM 3058 O MET B 84 18.581 2.936 19.740 1.00 10.01 O ATOM 3059 CB MET B 84 17.443 4.594 17.199 1.00 12.43 C ATOM 3060 CG MET B 84 16.227 3.995 17.898 1.00 10.04 C ATOM 3061 SD MET B 84 14.679 4.401 17.062 1.00 8.57 S ATOM 3062 CE MET B 84 14.513 6.182 17.380 1.00 6.43 C ATOM 3063 HA MET B 84 19.619 4.461 17.160 1.00 0.00 H ATOM 3064 HB2 MET B 84 17.512 5.647 17.474 1.00 0.00 H ATOM 3065 HB3 MET B 84 17.296 4.510 16.122 1.00 0.00 H ATOM 3066 HG2 MET B 84 16.185 4.379 18.917 1.00 0.00 H ATOM 3067 HG3 MET B 84 16.337 2.911 17.923 1.00 0.00 H ATOM 3068 HE1 MET B 84 14.471 6.355 18.455 1.00 0.00 H ATOM 3069 HE2 MET B 84 15.371 6.706 16.959 1.00 0.00 H ATOM 3070 HE3 MET B 84 13.598 6.549 16.915 1.00 0.00 H ATOM 3071 H MET B 84 18.552 1.746 17.505 1.00 0.00 H ATOM 3072 N PRO B 85 19.456 5.008 19.649 1.00 8.75 N ATOM 3073 CA PRO B 85 19.659 5.136 21.097 1.00 11.27 C ATOM 3074 C PRO B 85 18.345 4.939 21.854 1.00 10.20 C ATOM 3075 O PRO B 85 17.294 5.441 21.447 1.00 8.49 O ATOM 3076 CB PRO B 85 20.202 6.554 21.238 1.00 13.61 C ATOM 3077 CG PRO B 85 20.974 6.734 19.960 1.00 9.67 C ATOM 3078 CD PRO B 85 20.021 6.168 18.941 1.00 8.33 C ATOM 3079 HA PRO B 85 20.332 4.387 21.515 1.00 0.00 H ATOM 3080 HD3 PRO B 85 19.245 6.889 18.682 1.00 0.00 H ATOM 3081 HD2 PRO B 85 20.546 5.861 18.037 1.00 0.00 H ATOM 3082 HG3 PRO B 85 21.911 6.177 19.980 1.00 0.00 H ATOM 3083 HG2 PRO B 85 21.183 7.786 19.767 1.00 0.00 H ATOM 3084 HB2 PRO B 85 19.393 7.280 21.316 1.00 0.00 H ATOM 3085 HB3 PRO B 85 20.853 6.642 22.108 1.00 0.00 H ATOM 3086 N ALA B 86 18.404 4.200 22.952 1.00 6.98 N ATOM 3087 CA ALA B 86 17.201 3.927 23.718 1.00 9.96 C ATOM 3088 C ALA B 86 17.415 4.049 25.218 1.00 9.39 C ATOM 3089 O ALA B 86 18.529 3.884 25.708 1.00 12.98 O ATOM 3090 CB ALA B 86 16.681 2.526 23.379 1.00 8.51 C ATOM 3091 HA ALA B 86 16.465 4.682 23.440 1.00 0.00 H ATOM 3092 HB1 ALA B 86 16.453 2.472 22.315 1.00 0.00 H ATOM 3093 HB2 ALA B 86 17.443 1.787 23.626 1.00 0.00 H ATOM 3094 HB3 ALA B 86 15.778 2.325 23.956 1.00 0.00 H ATOM 3095 H ALA B 86 19.317 3.813 23.267 1.00 0.00 H ATOM 3096 N ASN B 87 16.334 4.343 25.936 1.00 10.48 N ATOM 3097 CA ASN B 87 16.369 4.455 27.389 1.00 9.88 C ATOM 3098 C ASN B 87 16.411 3.035 27.937 1.00 10.26 C ATOM 3099 O ASN B 87 16.169 2.073 27.214 1.00 6.95 O ATOM 3100 CB ASN B 87 15.103 5.141 27.918 1.00 8.48 C ATOM 3101 CG ASN B 87 14.924 6.551 27.376 1.00 11.12 C ATOM 3102 OD1 ASN B 87 13.886 6.880 26.797 1.00 12.36 O ATOM 3103 ND2 ASN B 87 15.926 7.390 27.572 1.00 7.53 N ATOM 3104 HA ASN B 87 17.232 5.046 27.696 1.00 0.00 H ATOM 3105 HB2 ASN B 87 14.237 4.545 27.630 1.00 0.00 H ATOM 3106 HB3 ASN B 87 15.162 5.191 29.005 1.00 0.00 H ATOM 3107 HD22 ASN B 87 16.784 7.070 28.066 1.00 0.00 H ATOM 3108 HD21 ASN B 87 15.857 8.371 27.233 1.00 0.00 H ATOM 3109 H ASN B 87 15.432 4.498 25.443 1.00 0.00 H ATOM 3110 N PRO B 88 16.726 2.883 29.229 1.00 14.04 N ATOM 3111 CA PRO B 88 16.768 1.536 29.790 1.00 13.78 C ATOM 3112 C PRO B 88 15.483 0.731 29.588 1.00 11.99 C ATOM 3113 O PRO B 88 15.559 -0.478 29.395 1.00 13.03 O ATOM 3114 CB PRO B 88 17.074 1.794 31.261 1.00 16.16 C ATOM 3115 CG PRO B 88 18.021 2.961 31.182 1.00 17.40 C ATOM 3116 CD PRO B 88 17.313 3.859 30.166 1.00 15.19 C ATOM 3117 HA PRO B 88 17.508 0.909 29.293 1.00 0.00 H ATOM 3118 HD3 PRO B 88 16.540 4.461 30.644 1.00 0.00 H ATOM 3119 HD2 PRO B 88 18.021 4.515 29.659 1.00 0.00 H ATOM 3120 HG3 PRO B 88 19.004 2.653 30.825 1.00 0.00 H ATOM 3121 HG2 PRO B 88 18.125 3.456 32.147 1.00 0.00 H ATOM 3122 HB2 PRO B 88 16.171 2.052 31.815 1.00 0.00 H ATOM 3123 HB3 PRO B 88 17.548 0.929 31.725 1.00 0.00 H ATOM 3124 N ASP B 89 14.316 1.384 29.616 1.00 10.62 N ATOM 3125 CA ASP B 89 13.048 0.667 29.444 1.00 11.29 C ATOM 3126 C ASP B 89 12.768 0.367 27.970 1.00 10.84 C ATOM 3127 O ASP B 89 11.694 -0.130 27.620 1.00 7.58 O ATOM 3128 CB ASP B 89 11.882 1.464 30.056 1.00 10.00 C ATOM 3129 CG ASP B 89 11.535 2.722 29.263 1.00 9.98 C ATOM 3130 OD1 ASP B 89 12.279 3.060 28.316 1.00 11.66 O ATOM 3131 OD2 ASP B 89 10.511 3.372 29.587 1.00 9.27 O ATOM 3132 HA ASP B 89 13.137 -0.284 29.970 1.00 0.00 H ATOM 3133 HB2 ASP B 89 11.002 0.821 30.090 1.00 0.00 H ATOM 3134 HB3 ASP B 89 12.156 1.757 31.070 1.00 0.00 H ATOM 3135 H ASP B 89 14.308 2.414 29.762 1.00 0.00 H ATOM 3136 N ASN B 90 13.756 0.667 27.129 1.00 10.39 N ATOM 3137 CA ASN B 90 13.702 0.444 25.678 1.00 13.54 C ATOM 3138 C ASN B 90 13.013 1.512 24.843 1.00 11.26 C ATOM 3139 O ASN B 90 13.066 1.456 23.613 1.00 13.71 O ATOM 3140 CB ASN B 90 13.087 -0.916 25.345 1.00 12.32 C ATOM 3141 CG ASN B 90 14.057 -2.059 25.553 1.00 14.64 C ATOM 3142 OD1 ASN B 90 15.289 -1.873 25.548 1.00 16.54 O ATOM 3143 ND2 ASN B 90 13.514 -3.258 25.723 1.00 12.76 N ATOM 3144 HA ASN B 90 14.753 0.489 25.394 1.00 0.00 H ATOM 3145 HB2 ASN B 90 12.219 -1.073 25.985 1.00 0.00 H ATOM 3146 HB3 ASN B 90 12.771 -0.911 24.302 1.00 0.00 H ATOM 3147 HD22 ASN B 90 12.480 -3.366 25.720 1.00 0.00 H ATOM 3148 HD21 ASN B 90 14.123 -4.090 25.859 1.00 0.00 H ATOM 3149 H ASN B 90 14.622 1.086 27.525 1.00 0.00 H ATOM 3150 N SER B 91 12.359 2.473 25.487 1.00 10.99 N ATOM 3151 CA SER B 91 11.716 3.548 24.738 1.00 9.02 C ATOM 3152 C SER B 91 12.856 4.352 24.109 1.00 8.99 C ATOM 3153 O SER B 91 13.936 4.469 24.679 1.00 8.85 O ATOM 3154 CB SER B 91 10.865 4.422 25.655 1.00 7.18 C ATOM 3155 OG SER B 91 11.646 4.999 26.674 1.00 7.83 O ATOM 3156 HA SER B 91 11.038 3.158 23.979 1.00 0.00 H ATOM 3157 HB2 SER B 91 10.085 3.810 26.108 1.00 0.00 H ATOM 3158 HB3 SER B 91 10.406 5.216 25.065 1.00 0.00 H ATOM 3159 HG SER B 91 11.070 5.559 27.252 1.00 0.00 H ATOM 3160 H SER B 91 12.305 2.459 26.526 1.00 0.00 H ATOM 3161 N PRO B 92 12.636 4.908 22.913 1.00 11.38 N ATOM 3162 CA PRO B 92 13.720 5.669 22.289 1.00 10.33 C ATOM 3163 C PRO B 92 14.091 6.941 23.042 1.00 9.92 C ATOM 3164 O PRO B 92 13.245 7.565 23.676 1.00 6.66 O ATOM 3165 CB PRO B 92 13.171 5.953 20.896 1.00 11.43 C ATOM 3166 CG PRO B 92 11.706 6.146 21.160 1.00 11.62 C ATOM 3167 CD PRO B 92 11.396 5.005 22.120 1.00 8.88 C ATOM 3168 HA PRO B 92 14.661 5.119 22.282 1.00 0.00 H ATOM 3169 HD3 PRO B 92 10.541 5.244 22.753 1.00 0.00 H ATOM 3170 HD2 PRO B 92 11.200 4.078 21.581 1.00 0.00 H ATOM 3171 HG3 PRO B 92 11.124 6.059 20.242 1.00 0.00 H ATOM 3172 HG2 PRO B 92 11.512 7.114 21.621 1.00 0.00 H ATOM 3173 HB2 PRO B 92 13.617 6.852 20.472 1.00 0.00 H ATOM 3174 HB3 PRO B 92 13.344 5.112 20.225 1.00 0.00 H ATOM 3175 N VAL B 93 15.373 7.301 22.998 1.00 10.96 N ATOM 3176 CA VAL B 93 15.808 8.528 23.644 1.00 8.87 C ATOM 3177 C VAL B 93 15.011 9.566 22.870 1.00 10.25 C ATOM 3178 O VAL B 93 14.983 9.544 21.628 1.00 5.66 O ATOM 3179 CB VAL B 93 17.311 8.753 23.453 1.00 10.53 C ATOM 3180 CG1 VAL B 93 17.734 10.064 24.085 1.00 4.95 C ATOM 3181 CG2 VAL B 93 18.075 7.599 24.074 1.00 11.36 C ATOM 3182 HA VAL B 93 15.650 8.543 24.722 1.00 0.00 H ATOM 3183 HB VAL B 93 17.533 8.801 22.387 1.00 0.00 H ATOM 3184 HG11 VAL B 93 17.190 10.884 23.617 1.00 0.00 H ATOM 3185 HG12 VAL B 93 17.511 10.040 25.152 1.00 0.00 H ATOM 3186 HG13 VAL B 93 18.805 10.207 23.940 1.00 0.00 H ATOM 3187 HG21 VAL B 93 17.846 7.545 25.138 1.00 0.00 H ATOM 3188 HG22 VAL B 93 17.781 6.668 23.590 1.00 0.00 H ATOM 3189 HG23 VAL B 93 19.145 7.758 23.938 1.00 0.00 H ATOM 3190 H VAL B 93 16.063 6.703 22.501 1.00 0.00 H ATOM 3191 N SER B 94 14.331 10.446 23.600 1.00 9.89 N ATOM 3192 CA SER B 94 13.481 11.448 22.971 1.00 11.24 C ATOM 3193 C SER B 94 13.346 12.710 23.834 1.00 10.97 C ATOM 3194 O SER B 94 13.552 12.668 25.052 1.00 9.73 O ATOM 3195 CB SER B 94 12.097 10.837 22.730 1.00 9.04 C ATOM 3196 OG SER B 94 11.225 11.768 22.122 1.00 13.88 O ATOM 3197 HA SER B 94 13.940 11.746 22.029 1.00 0.00 H ATOM 3198 HB2 SER B 94 11.675 10.525 23.685 1.00 0.00 H ATOM 3199 HB3 SER B 94 12.200 9.969 22.079 1.00 0.00 H ATOM 3200 HG SER B 94 11.124 12.557 22.711 1.00 0.00 H ATOM 3201 H SER B 94 14.407 10.418 24.637 1.00 0.00 H ATOM 3202 N SER B 95 13.027 13.823 23.179 1.00 9.44 N ATOM 3203 CA SER B 95 12.839 15.121 23.830 1.00 12.50 C ATOM 3204 C SER B 95 11.675 15.850 23.182 1.00 13.31 C ATOM 3205 O SER B 95 11.586 15.938 21.953 1.00 11.67 O ATOM 3206 CB SER B 95 14.078 16.004 23.698 1.00 16.87 C ATOM 3207 OG SER B 95 15.061 15.659 24.649 1.00 23.48 O ATOM 3208 HA SER B 95 12.648 14.932 24.886 1.00 0.00 H ATOM 3209 HB2 SER B 95 13.790 17.044 23.847 1.00 0.00 H ATOM 3210 HB3 SER B 95 14.494 15.884 22.698 1.00 0.00 H ATOM 3211 HG SER B 95 15.331 14.716 24.515 1.00 0.00 H ATOM 3212 H SER B 95 12.904 13.768 22.148 1.00 0.00 H ATOM 3213 N GLU B 96 10.808 16.397 24.021 1.00 13.03 N ATOM 3214 CA GLU B 96 9.627 17.122 23.579 1.00 12.21 C ATOM 3215 C GLU B 96 10.028 18.497 23.053 1.00 11.43 C ATOM 3216 O GLU B 96 10.745 19.243 23.725 1.00 13.08 O ATOM 3217 CB GLU B 96 8.665 17.273 24.763 1.00 18.08 C ATOM 3218 CG GLU B 96 7.231 17.583 24.386 1.00 26.80 C ATOM 3219 CD GLU B 96 6.347 17.770 25.607 1.00 30.95 C ATOM 3220 OE1 GLU B 96 6.590 17.085 26.623 1.00 31.30 O ATOM 3221 OE2 GLU B 96 5.405 18.593 25.545 1.00 33.64 O ATOM 3222 HA GLU B 96 9.136 16.572 22.776 1.00 0.00 H ATOM 3223 HB2 GLU B 96 8.673 16.340 25.327 1.00 0.00 H ATOM 3224 HB3 GLU B 96 9.031 18.081 25.396 1.00 0.00 H ATOM 3225 HG2 GLU B 96 7.213 18.499 23.795 1.00 0.00 H ATOM 3226 HG3 GLU B 96 6.838 16.759 23.790 1.00 0.00 H ATOM 3227 H GLU B 96 10.980 16.304 25.043 1.00 0.00 H ATOM 3228 N LEU B 97 9.568 18.832 21.854 1.00 8.84 N ATOM 3229 CA LEU B 97 9.880 20.124 21.247 1.00 7.50 C ATOM 3230 C LEU B 97 8.772 21.121 21.595 1.00 10.07 C ATOM 3231 O LEU B 97 7.635 20.728 21.861 1.00 9.43 O ATOM 3232 CB LEU B 97 9.998 19.967 19.720 1.00 6.75 C ATOM 3233 CG LEU B 97 11.038 18.938 19.237 1.00 7.18 C ATOM 3234 CD1 LEU B 97 10.960 18.781 17.725 1.00 7.98 C ATOM 3235 CD2 LEU B 97 12.429 19.387 19.657 1.00 6.61 C ATOM 3236 HA LEU B 97 10.830 20.494 21.632 1.00 0.00 H ATOM 3237 HB2 LEU B 97 9.023 19.665 19.337 1.00 0.00 H ATOM 3238 HB3 LEU B 97 10.266 20.937 19.302 1.00 0.00 H ATOM 3239 HG LEU B 97 10.826 17.970 19.691 1.00 0.00 H ATOM 3240 HD21 LEU B 97 12.645 20.359 19.213 1.00 0.00 H ATOM 3241 HD22 LEU B 97 12.472 19.465 20.743 1.00 0.00 H ATOM 3242 HD23 LEU B 97 13.164 18.658 19.315 1.00 0.00 H ATOM 3243 HD11 LEU B 97 9.963 18.439 17.448 1.00 0.00 H ATOM 3244 HD12 LEU B 97 11.161 19.742 17.250 1.00 0.00 H ATOM 3245 HD13 LEU B 97 11.700 18.051 17.398 1.00 0.00 H ATOM 3246 H LEU B 97 8.971 18.158 21.334 1.00 0.00 H ATOM 3247 N GLN B 98 9.106 22.404 21.600 1.00 9.07 N ATOM 3248 CA GLN B 98 8.143 23.445 21.910 1.00 12.59 C ATOM 3249 C GLN B 98 7.699 24.158 20.638 1.00 12.37 C ATOM 3250 O GLN B 98 8.527 24.686 19.898 1.00 10.93 O ATOM 3251 CB GLN B 98 8.756 24.466 22.868 1.00 16.93 C ATOM 3252 CG GLN B 98 7.820 25.625 23.214 1.00 21.85 C ATOM 3253 CD GLN B 98 8.419 26.584 24.225 1.00 28.40 C ATOM 3254 OE1 GLN B 98 9.343 27.337 23.916 1.00 29.88 O ATOM 3255 NE2 GLN B 98 7.899 26.552 25.448 1.00 32.23 N ATOM 3256 HA GLN B 98 7.279 22.977 22.381 1.00 0.00 H ATOM 3257 HB2 GLN B 98 9.025 23.953 23.792 1.00 0.00 H ATOM 3258 HB3 GLN B 98 9.655 24.875 22.406 1.00 0.00 H ATOM 3259 HG2 GLN B 98 7.596 26.177 22.301 1.00 0.00 H ATOM 3260 HG3 GLN B 98 6.897 25.216 23.626 1.00 0.00 H ATOM 3261 HE22 GLN B 98 7.119 25.899 25.664 1.00 0.00 H ATOM 3262 HE21 GLN B 98 8.273 27.180 26.188 1.00 0.00 H ATOM 3263 H GLN B 98 10.085 22.672 21.376 1.00 0.00 H ATOM 3264 N GLU B 99 6.393 24.168 20.381 1.00 12.54 N ATOM 3265 CA GLU B 99 5.873 24.839 19.196 1.00 11.45 C ATOM 3266 C GLU B 99 6.052 26.342 19.393 1.00 12.18 C ATOM 3267 O GLU B 99 5.637 26.888 20.416 1.00 14.60 O ATOM 3268 CB GLU B 99 4.393 24.496 19.007 1.00 12.91 C ATOM 3269 CG GLU B 99 3.727 25.188 17.812 1.00 13.85 C ATOM 3270 CD GLU B 99 2.258 24.807 17.667 1.00 13.02 C ATOM 3271 OE1 GLU B 99 1.438 25.709 17.412 1.00 14.34 O ATOM 3272 OE2 GLU B 99 1.931 23.608 17.811 1.00 18.34 O ATOM 3273 HA GLU B 99 6.409 24.512 18.305 1.00 0.00 H ATOM 3274 HB2 GLU B 99 4.308 23.418 18.867 1.00 0.00 H ATOM 3275 HB3 GLU B 99 3.858 24.787 19.911 1.00 0.00 H ATOM 3276 HG2 GLU B 99 3.798 26.267 17.948 1.00 0.00 H ATOM 3277 HG3 GLU B 99 4.255 24.902 16.902 1.00 0.00 H ATOM 3278 H GLU B 99 5.737 23.692 21.032 1.00 0.00 H ATOM 3279 N VAL B 100 6.683 27.006 18.427 1.00 9.71 N ATOM 3280 CA VAL B 100 6.919 28.443 18.516 1.00 9.31 C ATOM 3281 C VAL B 100 6.210 29.240 17.430 1.00 13.28 C ATOM 3282 O VAL B 100 6.164 30.471 17.488 1.00 15.95 O ATOM 3283 CB VAL B 100 8.438 28.787 18.448 1.00 11.12 C ATOM 3284 CG1 VAL B 100 9.147 28.284 19.706 1.00 15.20 C ATOM 3285 CG2 VAL B 100 9.065 28.169 17.209 1.00 10.00 C ATOM 3286 HA VAL B 100 6.508 28.728 19.485 1.00 0.00 H ATOM 3287 HB VAL B 100 8.549 29.870 18.390 1.00 0.00 H ATOM 3288 HG11 VAL B 100 8.710 28.761 20.583 1.00 0.00 H ATOM 3289 HG12 VAL B 100 9.027 27.203 19.781 1.00 0.00 H ATOM 3290 HG13 VAL B 100 10.207 28.530 19.647 1.00 0.00 H ATOM 3291 HG21 VAL B 100 8.946 27.086 17.245 1.00 0.00 H ATOM 3292 HG22 VAL B 100 8.571 28.560 16.320 1.00 0.00 H ATOM 3293 HG23 VAL B 100 10.125 28.419 17.177 1.00 0.00 H ATOM 3294 H VAL B 100 7.016 26.488 17.589 1.00 0.00 H ATOM 3295 N PHE B 101 5.649 28.535 16.452 1.00 14.50 N ATOM 3296 CA PHE B 101 4.952 29.165 15.336 1.00 14.44 C ATOM 3297 C PHE B 101 4.023 28.157 14.665 1.00 17.07 C ATOM 3298 O PHE B 101 4.350 26.968 14.559 1.00 13.42 O ATOM 3299 CB PHE B 101 5.976 29.679 14.311 1.00 17.74 C ATOM 3300 CG PHE B 101 5.362 30.214 13.049 1.00 19.26 C ATOM 3301 CD1 PHE B 101 4.537 31.339 13.081 1.00 18.46 C ATOM 3302 CD2 PHE B 101 5.607 29.594 11.830 1.00 19.06 C ATOM 3303 CE1 PHE B 101 3.960 31.843 11.913 1.00 21.09 C ATOM 3304 CE2 PHE B 101 5.036 30.087 10.645 1.00 22.02 C ATOM 3305 CZ PHE B 101 4.211 31.216 10.691 1.00 19.78 C ATOM 3306 HA PHE B 101 4.362 30.001 15.712 1.00 0.00 H ATOM 3307 HB2 PHE B 101 6.555 30.477 14.776 1.00 0.00 H ATOM 3308 HB3 PHE B 101 6.640 28.856 14.047 1.00 0.00 H ATOM 3309 HD2 PHE B 101 6.250 28.715 11.793 1.00 0.00 H ATOM 3310 HE2 PHE B 101 5.235 29.592 9.694 1.00 0.00 H ATOM 3311 HZ PHE B 101 3.765 31.605 9.775 1.00 0.00 H ATOM 3312 HE1 PHE B 101 3.317 32.722 11.955 1.00 0.00 H ATOM 3313 HD1 PHE B 101 4.340 31.832 14.033 1.00 0.00 H ATOM 3314 H PHE B 101 5.709 27.497 16.484 1.00 0.00 H ATOM 3315 N TYR B 102 2.855 28.635 14.244 1.00 16.06 N ATOM 3316 CA TYR B 102 1.885 27.808 13.540 1.00 16.88 C ATOM 3317 C TYR B 102 0.953 28.684 12.703 1.00 15.82 C ATOM 3318 O TYR B 102 0.246 29.541 13.226 1.00 14.55 O ATOM 3319 CB TYR B 102 1.062 26.960 14.505 1.00 19.97 C ATOM 3320 CG TYR B 102 0.165 25.998 13.764 1.00 24.53 C ATOM 3321 CD1 TYR B 102 -1.149 26.334 13.451 1.00 22.11 C ATOM 3322 CD2 TYR B 102 0.663 24.786 13.298 1.00 27.11 C ATOM 3323 CE1 TYR B 102 -1.945 25.485 12.682 1.00 29.65 C ATOM 3324 CE2 TYR B 102 -0.123 23.929 12.527 1.00 30.65 C ATOM 3325 CZ TYR B 102 -1.422 24.285 12.220 1.00 28.01 C ATOM 3326 OH TYR B 102 -2.179 23.445 11.436 1.00 30.74 O ATOM 3327 HA TYR B 102 2.440 27.135 12.887 1.00 0.00 H ATOM 3328 HB3 TYR B 102 0.447 27.617 15.120 1.00 0.00 H ATOM 3329 HB2 TYR B 102 1.738 26.394 15.145 1.00 0.00 H ATOM 3330 HD2 TYR B 102 1.687 24.500 13.540 1.00 0.00 H ATOM 3331 HE2 TYR B 102 0.286 22.984 12.169 1.00 0.00 H ATOM 3332 HE1 TYR B 102 -2.972 25.762 12.445 1.00 0.00 H ATOM 3333 HD1 TYR B 102 -1.563 27.275 13.813 1.00 0.00 H ATOM 3334 HH TYR B 102 -3.079 23.837 11.307 1.00 0.00 H ATOM 3335 H TYR B 102 2.627 29.634 14.424 1.00 0.00 H ATOM 3336 N LEU B 103 0.985 28.474 11.393 1.00 16.10 N ATOM 3337 CA LEU B 103 0.152 29.223 10.454 1.00 15.18 C ATOM 3338 C LEU B 103 -0.677 28.218 9.658 1.00 15.59 C ATOM 3339 O LEU B 103 -0.154 27.537 8.767 1.00 9.75 O ATOM 3340 CB LEU B 103 1.039 30.047 9.508 1.00 15.51 C ATOM 3341 CG LEU B 103 0.392 30.747 8.304 1.00 16.48 C ATOM 3342 CD1 LEU B 103 -0.747 31.640 8.777 1.00 18.83 C ATOM 3343 CD2 LEU B 103 1.443 31.570 7.564 1.00 16.21 C ATOM 3344 HA LEU B 103 -0.503 29.910 10.990 1.00 0.00 H ATOM 3345 HB2 LEU B 103 1.516 30.821 10.110 1.00 0.00 H ATOM 3346 HB3 LEU B 103 1.800 29.373 9.115 1.00 0.00 H ATOM 3347 HG LEU B 103 -0.012 29.999 7.623 1.00 0.00 H ATOM 3348 HD21 LEU B 103 1.858 32.319 8.239 1.00 0.00 H ATOM 3349 HD22 LEU B 103 2.239 30.912 7.216 1.00 0.00 H ATOM 3350 HD23 LEU B 103 0.980 32.065 6.710 1.00 0.00 H ATOM 3351 HD11 LEU B 103 -1.495 31.033 9.287 1.00 0.00 H ATOM 3352 HD12 LEU B 103 -0.357 32.391 9.464 1.00 0.00 H ATOM 3353 HD13 LEU B 103 -1.201 32.133 7.918 1.00 0.00 H ATOM 3354 H LEU B 103 1.629 27.747 11.020 1.00 0.00 H ATOM 3355 N PRO B 104 -1.978 28.099 9.976 1.00 16.43 N ATOM 3356 CA PRO B 104 -2.840 27.154 9.262 1.00 16.98 C ATOM 3357 C PRO B 104 -2.772 27.307 7.743 1.00 16.39 C ATOM 3358 O PRO B 104 -2.624 28.447 7.258 1.00 15.11 O ATOM 3359 CB PRO B 104 -4.225 27.472 9.818 1.00 18.46 C ATOM 3360 CG PRO B 104 -3.936 27.918 11.206 1.00 15.61 C ATOM 3361 CD PRO B 104 -2.741 28.821 11.009 1.00 18.42 C ATOM 3362 HA PRO B 104 -2.541 26.117 9.417 1.00 0.00 H ATOM 3363 HD3 PRO B 104 -3.044 29.808 10.661 1.00 0.00 H ATOM 3364 HD2 PRO B 104 -2.165 28.922 11.929 1.00 0.00 H ATOM 3365 HG3 PRO B 104 -3.692 27.073 11.850 1.00 0.00 H ATOM 3366 HG2 PRO B 104 -4.779 28.464 11.630 1.00 0.00 H ATOM 3367 HB2 PRO B 104 -4.705 28.264 9.244 1.00 0.00 H ATOM 3368 HB3 PRO B 104 -4.861 26.587 9.815 1.00 0.00 H ATOM 3369 OXT PRO B 104 -2.869 26.274 7.055 1.00 18.93 O TER 3370 PRO B 104 HETATM 3371 O HOH 1 16.489 36.438 -0.244 1.00 10.63 O HETATM 3372 O HOH 2 17.945 31.414 25.506 1.00 3.76 O HETATM 3373 O HOH 3 24.358 30.430 16.980 1.00 3.73 O HETATM 3374 O HOH 4 12.785 21.871 23.355 1.00 14.06 O HETATM 3375 O HOH 5 18.889 38.559 20.454 1.00 29.61 O HETATM 3376 O HOH 6 26.300 27.715 13.554 1.00 6.12 O HETATM 3377 O HOH 7 24.023 33.177 0.615 1.00 14.16 O HETATM 3378 O HOH 8 3.664 44.943 7.234 1.00 8.53 O HETATM 3379 O HOH 9 11.671 19.064 1.040 1.00 39.10 O HETATM 3380 O HOH 10 16.355 18.184 23.035 1.00 10.72 O HETATM 3381 O HOH 11 3.402 26.742 -2.763 1.00 12.26 O HETATM 3382 O HOH 12 12.391 38.592 23.804 1.00 12.35 O HETATM 3383 O HOH 13 9.739 32.734 4.272 1.00 14.53 O HETATM 3384 O HOH 14 15.067 43.671 -0.046 1.00 8.62 O HETATM 3385 O HOH 15 17.406 35.050 8.386 1.00 14.92 O HETATM 3386 O HOH 16 17.405 33.401 -0.665 1.00 8.82 O HETATM 3387 O HOH 17 24.330 33.805 14.960 1.00 15.43 O HETATM 3388 O HOH 18 22.935 21.045 17.861 1.00 16.70 O HETATM 3389 O HOH 19 22.115 27.970 1.253 1.00 25.67 O HETATM 3390 O HOH 20 11.075 17.559 3.287 1.00 15.88 O HETATM 3391 O HOH 21 22.472 23.145 7.900 1.00 8.56 O HETATM 3392 O HOH 22 22.759 16.668 18.756 1.00 21.22 O HETATM 3393 O HOH 23 -0.536 41.636 13.784 1.00 16.18 O HETATM 3394 O HOH 24 15.081 33.631 9.345 1.00 10.08 O HETATM 3395 O HOH 25 8.923 44.979 4.722 1.00 16.22 O HETATM 3396 O HOH 26 20.212 30.917 -0.291 1.00 18.39 O HETATM 3397 O HOH 27 20.675 33.396 -2.898 1.00 11.37 O HETATM 3398 O HOH 28 10.554 45.965 6.737 1.00 17.19 O HETATM 3399 O HOH 29 16.309 30.977 0.059 1.00 17.95 O HETATM 3400 O HOH 30 -2.536 32.512 -4.172 1.00 15.43 O HETATM 3401 O HOH 31 -1.823 29.247 0.830 1.00 15.90 O HETATM 3402 O HOH 32 22.123 14.288 19.784 1.00 12.47 O HETATM 3403 O HOH 33 23.618 37.143 6.332 1.00 8.27 O HETATM 3404 O HOH 34 17.301 23.283 27.047 1.00 8.01 O HETATM 3405 O HOH 35 16.521 13.816 21.543 1.00 8.27 O HETATM 3406 O HOH 36 18.063 40.561 19.118 1.00 46.27 O HETATM 3407 O HOH 37 22.948 36.221 15.046 1.00 10.96 O HETATM 3408 O HOH 38 22.886 40.751 7.185 1.00 26.92 O HETATM 3409 O HOH 39 23.182 19.868 22.865 1.00 16.36 O HETATM 3410 O HOH 40 16.803 43.024 13.138 1.00 19.97 O HETATM 3411 O HOH 41 8.015 42.223 14.774 1.00 23.32 O HETATM 3412 O HOH 42 3.934 41.094 13.593 1.00 22.65 O HETATM 3413 O HOH 43 15.955 33.443 25.525 1.00 18.66 O HETATM 3414 O HOH 44 20.765 43.718 9.876 1.00 27.70 O HETATM 3415 O HOH 45 21.205 36.375 19.589 1.00 9.92 O HETATM 3416 O HOH 46 18.688 37.979 -0.693 1.00 8.92 O HETATM 3417 O HOH 47 18.072 8.636 -0.283 1.00 36.45 O HETATM 3418 O HOH 48 0.617 18.381 -6.110 1.00 21.81 O HETATM 3419 O HOH 49 11.356 30.003 23.206 1.00 13.09 O HETATM 3420 O HOH 50 9.626 30.536 2.767 1.00 13.56 O HETATM 3421 O HOH 51 8.574 34.406 24.098 1.00 19.73 O HETATM 3422 O HOH 52 9.582 42.578 16.940 1.00 15.72 O HETATM 3423 O HOH 53 23.150 20.304 8.441 1.00 21.45 O HETATM 3424 O HOH 54 19.452 20.693 2.305 1.00 17.51 O HETATM 3425 O HOH 55 -5.588 22.833 9.266 1.00 22.38 O HETATM 3426 O HOH 56 24.337 36.873 8.917 1.00 14.28 O HETATM 3427 O HOH 57 14.507 7.812 0.069 1.00 38.69 O HETATM 3428 O HOH 58 19.457 28.833 10.917 1.00 12.69 O HETATM 3429 O HOH 59 6.823 45.008 -1.945 1.00 24.20 O HETATM 3430 O HOH 60 5.909 21.620 -7.303 1.00 25.73 O HETATM 3431 O HOH 61 8.587 35.918 28.297 1.00 23.15 O HETATM 3432 O HOH 62 16.889 29.281 4.103 1.00 16.76 O HETATM 3433 O HOH 63 9.619 38.062 24.894 1.00 13.37 O HETATM 3434 O HOH 64 16.264 43.529 15.824 1.00 15.93 O HETATM 3435 O HOH 65 7.082 42.154 -0.503 1.00 11.65 O HETATM 3436 O HOH 66 0.729 16.584 -4.045 1.00 16.77 O HETATM 3437 O HOH 67 2.562 4.642 6.888 1.00 24.86 O HETATM 3438 O HOH 68 18.799 29.449 1.468 1.00 19.62 O HETATM 3439 O HOH 69 15.986 34.926 -6.628 1.00 32.26 O HETATM 3440 O HOH 70 17.765 11.457 -1.220 1.00 52.89 O HETATM 3441 O HOH 71 23.687 29.837 0.420 1.00 23.20 O HETATM 3442 O HOH 72 25.952 24.120 13.079 1.00 22.43 O HETATM 3443 O HOH 73 21.507 27.136 4.217 1.00 15.67 O HETATM 3444 O HOH 74 11.673 29.429 4.544 1.00 18.48 O HETATM 3445 O HOH 75 10.887 39.531 28.061 1.00 12.87 O HETATM 3446 O HOH 76 16.329 24.113 3.645 1.00 24.43 O HETATM 3447 O HOH 77 -4.568 29.353 0.707 1.00 30.63 O HETATM 3448 O HOH 78 11.655 26.783 -7.809 1.00 32.43 O HETATM 3449 O HOH 79 18.478 33.538 27.636 1.00 15.70 O HETATM 3450 O HOH 80 5.974 18.448 11.480 1.00 15.14 O HETATM 3451 O HOH 81 2.639 18.682 -7.836 1.00 27.15 O HETATM 3452 O HOH 82 16.506 32.713 -3.058 1.00 17.55 O HETATM 3453 O HOH 83 12.972 22.973 2.627 1.00 39.25 O HETATM 3454 O HOH 84 -4.510 36.354 10.589 1.00 29.02 O HETATM 3455 O HOH 85 -2.722 35.960 0.823 1.00 25.81 O HETATM 3456 O HOH 86 6.536 8.857 3.713 1.00 15.44 O HETATM 3457 O HOH 87 0.228 35.737 20.138 1.00 37.85 O HETATM 3458 O HOH 88 -5.036 27.946 -2.165 1.00 36.69 O HETATM 3459 O HOH 89 2.359 31.365 15.630 1.00 20.74 O HETATM 3460 O HOH 90 18.163 40.873 21.837 1.00 26.07 O HETATM 3461 O HOH 91 23.428 39.087 19.790 1.00 24.73 O HETATM 3462 O HOH 92 1.361 39.453 19.942 1.00 48.83 O HETATM 3463 O HOH 93 18.993 42.787 11.757 1.00 17.41 O HETATM 3464 O HOH 94 15.851 20.157 26.787 1.00 17.10 O HETATM 3465 O HOH 95 6.369 13.127 0.825 1.00 27.56 O HETATM 3466 O HOH 96 -2.546 29.500 -2.916 1.00 28.89 O HETATM 3467 O HOH 97 8.279 31.147 -10.010 1.00 23.62 O HETATM 3468 O HOH 98 5.641 40.298 16.308 1.00 29.74 O HETATM 3469 O HOH 99 25.865 36.239 17.326 1.00 42.03 O HETATM 3470 O HOH 100 -1.942 38.887 6.449 1.00 22.43 O HETATM 3471 O HOH 101 13.974 44.533 7.988 1.00 21.36 O HETATM 3472 O HOH 102 -3.312 38.200 15.772 1.00 23.31 O HETATM 3473 O HOH 103 23.881 23.838 9.973 1.00 12.33 O HETATM 3474 O HOH 104 -2.108 15.859 -2.167 1.00 12.73 O HETATM 3475 O HOH 105 21.159 39.044 21.587 1.00 31.19 O HETATM 3476 O HOH 106 20.800 43.228 20.235 1.00 24.72 O HETATM 3477 O HOH 107 14.710 43.513 18.072 1.00 23.17 O HETATM 3478 O HOH 108 12.370 30.452 25.638 1.00 23.19 O HETATM 3479 O HOH 109 5.914 34.844 22.447 1.00 22.61 O HETATM 3480 O HOH 110 18.525 15.012 6.073 1.00 3.82 O HETATM 3481 O HOH 111 22.753 3.353 19.621 1.00 13.83 O HETATM 3482 O HOH 112 12.293 3.432 18.966 1.00 6.59 O HETATM 3483 O HOH 113 19.597 -7.297 17.595 1.00 18.38 O HETATM 3484 O HOH 114 22.364 9.137 5.122 1.00 13.57 O HETATM 3485 O HOH 115 23.635 22.835 14.387 1.00 9.91 O HETATM 3486 O HOH 116 21.021 18.819 8.293 1.00 5.85 O HETATM 3487 O HOH 117 23.336 15.905 16.324 1.00 17.11 O HETATM 3488 O HOH 118 13.509 1.654 20.741 1.00 13.37 O HETATM 3489 O HOH 119 14.457 3.741 31.006 1.00 15.99 O HETATM 3490 O HOH 120 23.874 9.125 21.975 1.00 12.48 O HETATM 3491 O HOH 121 20.861 12.341 25.684 1.00 19.93 O HETATM 3492 O HOH 122 27.241 15.616 9.033 1.00 7.13 O HETATM 3493 O HOH 123 20.345 23.103 9.710 1.00 1.00 O HETATM 3494 O HOH 124 16.558 8.159 20.097 1.00 9.19 O HETATM 3495 O HOH 125 6.495 -6.876 26.374 1.00 9.86 O HETATM 3496 O HOH 126 7.139 4.209 32.187 1.00 14.52 O HETATM 3497 O HOH 127 22.989 12.974 22.011 1.00 15.56 O HETATM 3498 O HOH 128 5.462 19.113 21.396 1.00 14.16 O HETATM 3499 O HOH 129 24.575 21.114 10.785 1.00 12.72 O HETATM 3500 O HOH 130 17.122 6.954 5.255 1.00 8.74 O HETATM 3501 O HOH 131 10.511 -7.345 19.383 1.00 14.73 O HETATM 3502 O HOH 132 17.189 13.904 24.147 1.00 7.85 O HETATM 3503 O HOH 133 10.609 7.732 24.367 1.00 20.87 O HETATM 3504 O HOH 134 16.423 -0.970 2.997 1.00 18.09 O HETATM 3505 O HOH 135 27.932 4.496 16.020 1.00 15.61 O HETATM 3506 O HOH 136 22.637 8.980 17.068 1.00 6.59 O HETATM 3507 O HOH 137 10.579 -3.096 25.173 1.00 6.86 O HETATM 3508 O HOH 138 23.971 6.538 17.885 1.00 6.30 O HETATM 3509 O HOH 139 7.918 0.855 27.306 1.00 10.29 O HETATM 3510 O HOH 140 1.383 19.673 22.632 1.00 13.83 O HETATM 3511 O HOH 141 23.915 11.229 4.399 1.00 10.94 O HETATM 3512 O HOH 142 -2.744 -5.625 18.728 1.00 27.19 O HETATM 3513 O HOH 143 13.143 6.170 30.756 1.00 35.19 O HETATM 3514 O HOH 144 26.287 2.607 14.953 1.00 25.60 O HETATM 3515 O HOH 145 10.250 -8.926 24.349 1.00 17.21 O HETATM 3516 O HOH 146 23.863 5.262 7.363 1.00 12.77 O HETATM 3517 O HOH 147 13.199 13.453 27.662 1.00 38.78 O HETATM 3518 O HOH 148 9.923 3.891 32.222 1.00 26.25 O HETATM 3519 O HOH 149 25.494 3.339 6.319 1.00 9.63 O HETATM 3520 O HOH 150 3.329 12.333 25.414 1.00 38.10 O HETATM 3521 O HOH 151 5.821 5.992 5.702 1.00 17.61 O HETATM 3522 O HOH 152 16.296 -5.773 9.008 1.00 9.37 O HETATM 3523 O HOH 153 4.019 6.525 21.093 1.00 23.48 O HETATM 3524 O HOH 154 8.403 3.572 28.137 1.00 14.49 O HETATM 3525 O HOH 155 21.860 0.432 18.875 1.00 27.85 O HETATM 3526 O HOH 156 9.663 -5.357 10.391 1.00 9.56 O HETATM 3527 O HOH 157 13.223 2.699 -1.268 1.00 28.69 O HETATM 3528 O HOH 158 23.877 20.334 15.613 1.00 21.37 O HETATM 3529 O HOH 159 22.413 3.434 6.138 1.00 11.51 O HETATM 3530 O HOH 160 24.399 -5.999 18.449 1.00 30.93 O HETATM 3531 O HOH 161 26.287 17.109 12.271 1.00 12.05 O HETATM 3532 O HOH 162 15.223 2.699 3.266 1.00 22.30 O HETATM 3533 O HOH 163 18.277 16.544 23.970 1.00 9.39 O HETATM 3534 O HOH 164 23.100 0.442 14.015 1.00 5.83 O HETATM 3535 O HOH 165 -4.225 10.332 21.651 1.00 19.60 O HETATM 3536 O HOH 166 -3.938 19.352 9.910 1.00 48.12 O HETATM 3537 O HOH 167 12.139 2.433 2.595 1.00 11.42 O HETATM 3538 O HOH 168 16.572 13.117 26.724 1.00 25.90 O HETATM 3539 O HOH 169 16.525 -6.005 19.347 1.00 11.33 O HETATM 3540 O HOH 170 17.700 -0.070 26.371 1.00 14.22 O HETATM 3541 O HOH 171 4.892 4.480 19.723 1.00 18.28 O HETATM 3542 O HOH 172 15.242 -3.433 1.543 1.00 21.46 O HETATM 3543 O HOH 173 9.143 -2.672 6.932 1.00 22.24 O HETATM 3544 O HOH 174 19.787 -2.404 1.033 1.00 13.26 O HETATM 3545 O HOH 175 11.959 15.776 27.280 1.00 19.97 O HETATM 3546 O HOH 176 2.646 -4.962 27.869 1.00 19.87 O HETATM 3547 O HOH 177 20.846 16.575 6.346 1.00 16.26 O HETATM 3548 O HOH 178 6.003 -4.282 8.575 1.00 23.31 O HETATM 3549 O HOH 179 -7.861 31.333 15.939 1.00 23.00 O HETATM 3550 O HOH 180 8.223 -2.765 9.829 1.00 37.50 O HETATM 3551 O HOH 181 -3.347 -2.344 10.847 1.00 24.01 O HETATM 3552 O HOH 182 2.434 -4.392 5.720 1.00 16.31 O HETATM 3553 O HOH 183 23.745 6.819 5.012 1.00 16.04 O HETATM 3554 O HOH 184 27.870 3.233 7.401 1.00 18.27 O HETATM 3555 O HOH 185 22.403 2.855 3.466 1.00 20.97 O HETATM 3556 O HOH 186 -0.992 29.910 15.446 1.00 48.28 O HETATM 3557 O HOH 187 20.590 5.603 25.999 1.00 38.63 O HETATM 3558 O HOH 188 9.440 -1.152 29.073 1.00 13.92 O HETATM 3559 O HOH 189 4.872 -8.175 15.648 1.00 29.62 O HETATM 3560 O HOH 190 5.974 25.479 27.118 1.00 19.77 O HETATM 3561 O HOH 191 1.968 -6.710 12.739 1.00 25.59 O HETATM 3562 O HOH 192 -7.196 0.719 14.964 1.00 16.28 O HETATM 3563 O HOH 193 0.554 25.951 10.718 1.00 46.14 O HETATM 3564 O HOH 194 0.606 3.068 32.586 1.00 35.64 O HETATM 3565 O HOH 195 -4.314 13.858 6.572 1.00 21.59 O HETATM 3566 O HOH 196 24.981 17.924 15.099 1.00 19.68 O HETATM 3567 O HOH 197 6.827 14.118 22.721 1.00 33.74 O HETATM 3568 O HOH 198 10.815 22.114 25.142 1.00 23.19 O HETATM 3569 O HOH 199 1.619 -1.463 7.381 1.00 30.72 O HETATM 3570 O HOH 200 -4.034 22.545 22.023 1.00 30.98 O HETATM 3571 O HOH 201 1.800 -8.647 14.218 1.00 22.81 O HETATM 3572 O HOH 202 9.968 0.325 1.823 1.00 28.79 O HETATM 3573 O HOH 203 1.749 2.790 8.668 1.00 21.68 O HETATM 3574 O HOH 204 10.540 7.543 27.134 1.00 18.97 O HETATM 3575 O HOH 205 7.563 7.683 23.224 1.00 29.61 O HETATM 3576 O HOH 206 24.682 6.611 20.691 1.00 18.62 O HETATM 3577 O HOH 207 -2.360 -3.884 25.786 1.00 25.35 O HETATM 3578 O HOH 208 -4.115 24.366 17.414 1.00 27.63 O HETATM 3579 O HOH 209 -7.410 20.109 20.941 1.00 27.52 O HETATM 3580 O HOH 210 -5.147 -3.506 18.094 1.00 27.22 O HETATM 3581 O HOH 211 -0.769 10.281 30.727 1.00 32.86 O HETATM 3582 O HOH 212 21.687 -1.684 12.546 1.00 29.68 O HETATM 3583 O HOH 213 19.879 -0.701 27.684 1.00 15.95 O HETATM 3584 O HOH 214 3.575 5.999 24.462 1.00 23.05 O HETATM 3585 O HOH 215 19.731 13.015 23.524 1.00 15.58 O HETATM 3586 O HOH 216 -10.092 10.040 24.018 1.00 39.80 O HETATM 3587 O HOH 217 10.932 6.178 29.333 1.00 25.53 O HETATM 3588 O HOH 218 -11.392 5.946 22.411 1.00 36.91 O HETATM 3589 O HOH 219 18.707 4.775 1.380 1.00 21.15 O HETATM 3590 O HOH 220 10.084 13.042 24.834 1.00 38.03 O HETATM 3591 O HOH 221 18.883 -4.492 10.954 1.00 9.35 O HETATM 3592 O HOH 222 16.855 -6.552 11.447 1.00 14.42 O HETATM 3593 O HOH 223 19.366 -0.109 24.156 1.00 18.00 O HETATM 3594 O HOH 224 19.598 1.347 21.739 1.00 17.66 O HETATM 3595 O HOH 225 -4.872 25.584 5.103 1.00 28.43 O HETATM 3596 O HOH 226 -6.948 27.611 6.900 1.00 26.92 O HETATM 3597 O HOH 227 4.203 29.336 21.045 1.00 18.52 O HETATM 3598 O HOH 228 26.936 6.116 17.718 1.00 16.60 O HETATM 3599 O HOH 229 25.350 1.793 19.632 1.00 30.81 O HETATM 3600 O HOH 230 19.207 6.047 3.862 1.00 19.86 O HETATM 3601 C1 RNS A 231 11.237 31.777 10.298 1.00 0.27 C HETATM 3602 C2 RNS A 231 12.145 31.848 9.071 1.00 0.18 C HETATM 3603 C3 RNS A 231 11.399 31.244 7.873 1.00 0.13 C HETATM 3604 C4 RNS A 231 10.074 31.983 7.665 1.00 0.12 C HETATM 3605 C5 RNS A 231 9.261 31.936 8.967 1.00 0.11 C HETATM 3606 C6 RNS A 231 7.947 32.688 8.892 1.00 -0.03 C HETATM 3607 H5 RNS A 231 7.424 32.609 9.857 1.00 0.03 H HETATM 3608 H6 RNS A 231 7.321 32.254 8.099 1.00 0.03 H HETATM 3609 H7 RNS A 231 8.143 33.747 8.666 1.00 0.03 H HETATM 3610 O5 RNS A 231 10.026 32.506 10.053 1.00 -0.27 O HETATM 3611 H4 RNS A 231 9.045 30.881 9.193 1.00 0.07 H HETATM 3612 O4 RNS A 231 9.355 31.356 6.609 1.00 -0.39 O HETATM 3613 H10 RNS A 231 9.187 30.449 6.837 1.00 0.21 H HETATM 3614 H3 RNS A 231 10.274 33.031 7.398 1.00 0.07 H HETATM 3615 O3 RNS A 231 12.191 31.334 6.696 1.00 -0.38 O HETATM 3616 H9 RNS A 231 11.722 30.941 5.969 1.00 0.21 H HETATM 3617 H2 RNS A 231 11.190 30.184 8.081 1.00 0.07 H HETATM 3618 O2 RNS A 231 12.492 33.208 8.810 1.00 -0.37 O HETATM 3619 H8 RNS A 231 12.952 33.566 9.560 1.00 0.21 H HETATM 3620 H1 RNS A 231 13.062 31.271 9.258 1.00 0.09 H HETATM 3621 O1 RNS A 231 11.873 32.334 11.389 1.00 -0.37 O CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1686 1687 1702 1703 1704 CONECT 1702 1686 CONECT 1703 1686 CONECT 1704 1686 CONECT 3601 3602 3610 3621 CONECT 3602 3601 3603 3618 3620 CONECT 3603 3602 3604 3615 3617 CONECT 3604 3603 3605 3612 3614 CONECT 3605 3604 3606 3610 3611 CONECT 3606 3605 3607 3608 3609 CONECT 3607 3606 CONECT 3608 3606 CONECT 3609 3606 CONECT 3610 3601 3605 CONECT 3611 3605 CONECT 3612 3604 3613 CONECT 3613 3612 CONECT 3614 3604 CONECT 3615 3603 3616 CONECT 3616 3615 CONECT 3617 3603 CONECT 3618 3602 3619 CONECT 3619 3618 CONECT 3620 3602 CONECT 3621 3601 MASTER 0 0 0 0 0 0 0 0 3619 2 29 16 END
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Related entries of code: 1x8d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1x8d
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
hypothetical protein yiil
Ligand Name
RNS
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=6.16mM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. v349 pp. 153-62, 2005
Ligand Properties
Formula
C
6
H
1
0
O
5
Molecular Weight
162.141
Exact Mass
162.053
No. of atoms
21
No. of bonds
21
Polar Surface Area
86.99
LOGP Value
-1.53 (
Computed with XLOGP3
)
-1.99 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
C[C@@H]1OC(=O)[C@@H]([C@@H]([C@H]1O)O)O
InChI String
InChI=1S/C6H10O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-5,7-9H,1H3/t2-,3-,4+,5+/m0/s1
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):
P32156
Entrez Gene ID
NCBI Entrez Gene ID:
948402
ASD
Information of known allosteric effects of PDB entries
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