Browse entries in the PDBbind-CN Database
HEADER 6O0M_COMPLEX COMPND 6O0M_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 27 GLY TYR ASP ASN ARG GLU ILE VAL MET LYS TYR ILE HIS SEQRES 2 A 27 TYR LYS LEU SER GLN ARG GLY TYR GLU TRP ASP ALA GLY SEQRES 3 A 27 ASP SEQRES 1 A 114 SER GLU VAL VAL HIS LEU THR LEU ARG GLN ALA GLY ASP SEQRES 2 A 114 ASP LEU SER ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SEQRES 3 A 114 SER SER GLN LEU HIS LEU THR PRO PHE THR ALA ARG GLY SEQRES 4 A 114 ARG PHE ALA THR VAL VAL GLU GLU LEU PHE ARG ASP GLY SEQRES 5 A 114 VAL ASN TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY SEQRES 6 A 114 GLY VAL MET CYS VAL GLU SER VAL ASN ARG GLU MET SER SEQRES 7 A 114 PRO LEU VAL ASP ASN ILE ALA LEU TRP MET THR GLU TYR SEQRES 8 A 114 LEU ASN ARG HIS LEU HIS THR TRP ILE GLN ASP ASN GLY SEQRES 9 A 114 GLY TRP ASP ALA PHE VAL GLU LEU TYR GLY HET LBM A 228 112 ATOM 1 N GLY A 8 5.069 7.212 7.094 1.00 47.20 N ATOM 2 CA GLY A 8 3.719 7.241 6.561 1.00 46.45 C ATOM 3 C GLY A 8 3.537 6.419 5.300 1.00 50.32 C ATOM 4 O GLY A 8 4.334 5.524 5.007 1.00 54.16 O ATOM 5 HN3 GLY A 8 5.729 7.588 6.384 1.00 0.00 H ATOM 6 HN2 GLY A 8 5.328 6.232 7.325 1.00 0.00 H ATOM 7 HN1 GLY A 8 5.114 7.796 7.954 1.00 0.00 H ATOM 8 N TYR A 9 2.485 6.725 4.544 1.00 30.49 N ATOM 9 CA TYR A 9 2.182 5.950 3.351 1.00 31.34 C ATOM 10 C TYR A 9 3.150 6.290 2.231 1.00 30.78 C ATOM 11 O TYR A 9 3.582 7.435 2.080 1.00 33.27 O ATOM 12 CB TYR A 9 0.742 6.188 2.913 1.00 36.18 C ATOM 13 CG TYR A 9 -0.212 5.582 3.898 1.00 42.48 C ATOM 14 CD1 TYR A 9 -1.017 6.376 4.702 1.00 49.73 C ATOM 15 CD2 TYR A 9 -0.261 4.209 4.070 1.00 39.84 C ATOM 16 CE1 TYR A 9 -1.873 5.811 5.624 1.00 51.69 C ATOM 17 CE2 TYR A 9 -1.101 3.641 4.989 1.00 43.83 C ATOM 18 CZ TYR A 9 -1.911 4.440 5.758 1.00 44.41 C ATOM 19 OH TYR A 9 -2.753 3.854 6.670 1.00 50.41 O ATOM 20 HH TYR A 9 -3.267 4.556 7.142 1.00 0.00 H ATOM 21 H TYR A 9 1.875 7.525 4.808 1.00 0.00 H ATOM 22 N ASP A 10 3.494 5.278 1.452 1.00 23.89 N ATOM 23 CA ASP A 10 4.543 5.371 0.450 1.00 23.07 C ATOM 24 C ASP A 10 3.902 5.115 -0.909 1.00 17.51 C ATOM 25 O ASP A 10 3.621 3.965 -1.250 1.00 16.47 O ATOM 26 CB ASP A 10 5.643 4.366 0.765 1.00 23.75 C ATOM 27 CG ASP A 10 6.826 4.504 -0.137 1.00 29.99 C ATOM 28 OD1 ASP A 10 6.632 4.552 -1.371 1.00 19.69 O ATOM 29 OD2 ASP A 10 7.950 4.568 0.401 1.00 27.16 O ATOM 30 H ASP A 10 2.991 4.374 1.561 1.00 0.00 H ATOM 31 N ASN A 11 3.689 6.184 -1.686 1.00 20.23 N ATOM 32 CA ASN A 11 2.998 6.051 -2.969 1.00 16.77 C ATOM 33 C ASN A 11 3.750 5.134 -3.926 1.00 18.56 C ATOM 34 O ASN A 11 3.133 4.377 -4.686 1.00 14.10 O ATOM 35 CB ASN A 11 2.804 7.425 -3.607 1.00 16.69 C ATOM 36 CG ASN A 11 1.733 8.234 -2.916 1.00 24.16 C ATOM 37 OD1 ASN A 11 0.801 7.675 -2.340 1.00 24.58 O ATOM 38 ND2 ASN A 11 1.856 9.556 -2.972 1.00 19.78 N ATOM 39 HD22 ASN A 11 2.662 9.983 -3.471 1.00 0.00 H ATOM 40 HD21 ASN A 11 1.146 10.164 -2.517 1.00 0.00 H ATOM 41 H ASN A 11 4.018 7.120 -1.374 1.00 0.00 H ATOM 42 N ARG A 12 5.080 5.208 -3.931 1.00 14.91 N ATOM 43 CA ARG A 12 5.841 4.322 -4.799 1.00 14.07 C ATOM 44 C ARG A 12 5.595 2.868 -4.431 1.00 13.49 C ATOM 45 O ARG A 12 5.422 2.015 -5.313 1.00 15.77 O ATOM 46 CB ARG A 12 7.330 4.651 -4.707 1.00 15.30 C ATOM 47 CG ARG A 12 8.204 3.757 -5.546 1.00 15.10 C ATOM 48 CD ARG A 12 9.653 4.182 -5.426 1.00 16.89 C ATOM 49 NE ARG A 12 10.527 3.364 -6.249 1.00 24.98 N ATOM 50 CZ ARG A 12 11.826 3.592 -6.387 1.00 19.16 C ATOM 51 NH1 ARG A 12 12.381 4.614 -5.753 1.00 20.85 N ATOM 52 NH2 ARG A 12 12.557 2.798 -7.153 1.00 19.77 N ATOM 53 HE ARG A 12 10.112 2.557 -6.757 1.00 0.00 H ATOM 54 HH12 ARG A 12 13.399 4.799 -5.856 1.00 0.00 H ATOM 55 HH11 ARG A 12 11.799 5.231 -5.152 1.00 0.00 H ATOM 56 HH22 ARG A 12 13.576 2.975 -7.263 1.00 0.00 H ATOM 57 HH21 ARG A 12 12.112 1.997 -7.645 1.00 0.00 H ATOM 58 H ARG A 12 5.570 5.893 -3.320 1.00 0.00 H ATOM 59 N GLU A 13 5.570 2.572 -3.128 1.00 14.50 N ATOM 60 CA GLU A 13 5.315 1.212 -2.667 1.00 14.59 C ATOM 61 C GLU A 13 3.914 0.761 -3.045 1.00 15.30 C ATOM 62 O GLU A 13 3.715 -0.379 -3.481 1.00 13.77 O ATOM 63 CB GLU A 13 5.494 1.136 -1.151 1.00 17.77 C ATOM 64 CG GLU A 13 5.197 -0.237 -0.564 1.00 26.82 C ATOM 65 CD GLU A 13 5.182 -0.243 0.955 1.00 41.72 C ATOM 66 OE1 GLU A 13 4.900 0.813 1.562 1.00 45.55 O ATOM 67 OE2 GLU A 13 5.454 -1.308 1.544 1.00 51.98 O ATOM 68 H GLU A 13 5.735 3.325 -2.430 1.00 0.00 H ATOM 69 N ILE A 14 2.931 1.640 -2.862 1.00 14.71 N ATOM 70 CA ILE A 14 1.551 1.312 -3.208 1.00 13.50 C ATOM 71 C ILE A 14 1.445 0.959 -4.686 1.00 13.21 C ATOM 72 O ILE A 14 0.828 -0.046 -5.061 1.00 11.74 O ATOM 73 CB ILE A 14 0.624 2.481 -2.829 1.00 14.46 C ATOM 74 CG1 ILE A 14 0.559 2.622 -1.307 1.00 16.32 C ATOM 75 CG2 ILE A 14 -0.768 2.286 -3.419 1.00 15.03 C ATOM 76 CD1 ILE A 14 -0.103 3.918 -0.844 1.00 17.73 C ATOM 77 H ILE A 14 3.150 2.576 -2.466 1.00 0.00 H ATOM 78 N VAL A 15 2.062 1.770 -5.547 1.00 12.01 N ATOM 79 CA VAL A 15 2.034 1.493 -6.983 1.00 11.10 C ATOM 80 C VAL A 15 2.782 0.200 -7.295 1.00 12.97 C ATOM 81 O VAL A 15 2.286 -0.657 -8.034 1.00 13.61 O ATOM 82 CB VAL A 15 2.615 2.678 -7.772 1.00 11.40 C ATOM 83 CG1 VAL A 15 2.786 2.299 -9.247 1.00 14.07 C ATOM 84 CG2 VAL A 15 1.706 3.887 -7.642 1.00 11.73 C ATOM 85 H VAL A 15 2.568 2.607 -5.194 1.00 0.00 H ATOM 86 N MET A 16 3.996 0.052 -6.759 1.00 10.86 N ATOM 87 CA MET A 16 4.797 -1.130 -7.060 1.00 10.71 C ATOM 88 C MET A 16 4.069 -2.414 -6.680 1.00 17.49 C ATOM 89 O MET A 16 3.989 -3.358 -7.477 1.00 13.24 O ATOM 90 CB MET A 16 6.139 -1.031 -6.332 1.00 12.43 C ATOM 91 CG MET A 16 7.032 -2.232 -6.493 1.00 26.97 C ATOM 92 SD MET A 16 8.592 -1.909 -5.660 1.00 40.47 S ATOM 93 CE MET A 16 9.266 -0.636 -6.735 1.00 58.53 C ATOM 94 H MET A 16 4.373 0.784 -6.123 1.00 0.00 H ATOM 95 N LYS A 17 3.511 -2.465 -5.468 1.00 13.72 N ATOM 96 CA LYS A 17 2.855 -3.692 -5.026 1.00 14.36 C ATOM 97 C LYS A 17 1.588 -3.963 -5.825 1.00 13.34 C ATOM 98 O LYS A 17 1.264 -5.123 -6.116 1.00 15.90 O ATOM 99 CB LYS A 17 2.536 -3.610 -3.536 1.00 16.59 C ATOM 100 CG LYS A 17 3.762 -3.662 -2.639 1.00 23.77 C ATOM 101 CD LYS A 17 3.361 -3.745 -1.179 1.00 35.79 C ATOM 102 CE LYS A 17 4.572 -3.785 -0.268 1.00 46.84 C ATOM 103 NZ LYS A 17 5.370 -5.027 -0.451 1.00 57.32 N ATOM 104 HZ1 LYS A 17 4.776 -5.854 -0.238 1.00 0.00 H ATOM 105 HZ2 LYS A 17 5.702 -5.082 -1.435 1.00 0.00 H ATOM 106 HZ3 LYS A 17 6.187 -5.010 0.192 1.00 0.00 H ATOM 107 H LYS A 17 3.544 -1.635 -4.842 1.00 0.00 H ATOM 108 N TYR A 18 0.847 -2.912 -6.168 1.00 11.63 N ATOM 109 CA TYR A 18 -0.389 -3.113 -6.912 1.00 11.49 C ATOM 110 C TYR A 18 -0.098 -3.645 -8.308 1.00 12.63 C ATOM 111 O TYR A 18 -0.724 -4.612 -8.759 1.00 12.14 O ATOM 112 CB TYR A 18 -1.178 -1.806 -6.984 1.00 11.61 C ATOM 113 CG TYR A 18 -2.438 -1.964 -7.785 1.00 14.73 C ATOM 114 CD1 TYR A 18 -3.623 -2.362 -7.184 1.00 22.24 C ATOM 115 CD2 TYR A 18 -2.431 -1.743 -9.151 1.00 20.42 C ATOM 116 CE1 TYR A 18 -4.768 -2.519 -7.931 1.00 25.74 C ATOM 117 CE2 TYR A 18 -3.552 -1.896 -9.893 1.00 24.65 C ATOM 118 CZ TYR A 18 -4.712 -2.289 -9.289 1.00 24.29 C ATOM 119 OH TYR A 18 -5.820 -2.428 -10.070 1.00 42.34 O ATOM 120 HH TYR A 18 -6.584 -2.715 -9.509 1.00 0.00 H ATOM 121 H TYR A 18 1.149 -1.952 -5.906 1.00 0.00 H ATOM 122 N ILE A 19 0.856 -3.031 -9.008 1.00 12.02 N ATOM 123 CA ILE A 19 1.155 -3.465 -10.369 1.00 13.56 C ATOM 124 C ILE A 19 1.758 -4.865 -10.368 1.00 15.23 C ATOM 125 O ILE A 19 1.435 -5.690 -11.233 1.00 11.82 O ATOM 126 CB ILE A 19 2.070 -2.439 -11.063 1.00 15.03 C ATOM 127 CG1 ILE A 19 1.303 -1.137 -11.302 1.00 10.19 C ATOM 128 CG2 ILE A 19 2.594 -2.993 -12.380 1.00 15.03 C ATOM 129 CD1 ILE A 19 0.089 -1.293 -12.186 1.00 13.81 C ATOM 130 H ILE A 19 1.387 -2.243 -8.585 1.00 0.00 H ATOM 131 N HIS A 20 2.632 -5.161 -9.398 1.00 11.98 N ATOM 132 CA HIS A 20 3.176 -6.512 -9.283 1.00 15.18 C ATOM 133 C HIS A 20 2.072 -7.534 -9.063 1.00 19.71 C ATOM 134 O HIS A 20 2.071 -8.602 -9.686 1.00 15.31 O ATOM 135 CB HIS A 20 4.191 -6.594 -8.143 1.00 16.23 C ATOM 136 CG HIS A 20 4.534 -8.001 -7.761 1.00 25.19 C ATOM 137 ND1 HIS A 20 5.421 -8.770 -8.482 1.00 28.32 N ATOM 138 CD2 HIS A 20 4.077 -8.791 -6.761 1.00 28.78 C ATOM 139 CE1 HIS A 20 5.516 -9.965 -7.927 1.00 36.81 C ATOM 140 NE2 HIS A 20 4.710 -10.005 -6.881 1.00 37.08 N ATOM 141 H HIS A 20 2.925 -4.426 -8.723 1.00 0.00 H ATOM 142 N TYR A 21 1.115 -7.215 -8.190 1.00 13.73 N ATOM 143 CA TYR A 21 -0.011 -8.117 -7.948 1.00 17.04 C ATOM 144 C TYR A 21 -0.822 -8.346 -9.216 1.00 17.00 C ATOM 145 O TYR A 21 -1.095 -9.491 -9.592 1.00 18.57 O ATOM 146 CB TYR A 21 -0.898 -7.548 -6.842 1.00 13.64 C ATOM 147 CG TYR A 21 -2.203 -8.292 -6.653 1.00 16.39 C ATOM 148 CD1 TYR A 21 -3.397 -7.777 -7.143 1.00 17.08 C ATOM 149 CD2 TYR A 21 -2.241 -9.505 -5.977 1.00 19.14 C ATOM 150 CE1 TYR A 21 -4.597 -8.455 -6.964 1.00 17.09 C ATOM 151 CE2 TYR A 21 -3.433 -10.187 -5.794 1.00 24.47 C ATOM 152 CZ TYR A 21 -4.608 -9.658 -6.291 1.00 21.57 C ATOM 153 OH TYR A 21 -5.798 -10.332 -6.110 1.00 22.93 O ATOM 154 HH TYR A 21 -6.534 -9.817 -6.525 1.00 0.00 H ATOM 155 H TYR A 21 1.170 -6.313 -7.675 1.00 0.00 H ATOM 156 N LYS A 22 -1.222 -7.259 -9.889 1.00 12.40 N ATOM 157 CA LYS A 22 -2.079 -7.393 -11.064 1.00 15.93 C ATOM 158 C LYS A 22 -1.382 -8.153 -12.182 1.00 19.45 C ATOM 159 O LYS A 22 -2.007 -8.970 -12.868 1.00 16.14 O ATOM 160 CB LYS A 22 -2.517 -6.018 -11.572 1.00 20.27 C ATOM 161 CG LYS A 22 -3.282 -5.175 -10.567 1.00 21.35 C ATOM 162 CD LYS A 22 -4.545 -5.866 -10.061 1.00 28.40 C ATOM 163 CE LYS A 22 -5.540 -6.139 -11.171 1.00 25.03 C ATOM 164 NZ LYS A 22 -6.826 -6.649 -10.610 1.00 28.18 N ATOM 165 HZ1 LYS A 22 -6.650 -7.532 -10.090 1.00 0.00 H ATOM 166 HZ2 LYS A 22 -7.227 -5.939 -9.964 1.00 0.00 H ATOM 167 HZ3 LYS A 22 -7.494 -6.830 -11.386 1.00 0.00 H ATOM 168 H LYS A 22 -0.921 -6.315 -9.573 1.00 0.00 H ATOM 169 N LEU A 23 -0.084 -7.908 -12.379 1.00 13.30 N ATOM 170 CA LEU A 23 0.631 -8.591 -13.454 1.00 12.33 C ATOM 171 C LEU A 23 0.869 -10.059 -13.121 1.00 14.13 C ATOM 172 O LEU A 23 0.713 -10.928 -13.987 1.00 14.27 O ATOM 173 CB LEU A 23 1.953 -7.881 -13.745 1.00 12.78 C ATOM 174 CG LEU A 23 1.935 -6.839 -14.869 1.00 14.37 C ATOM 175 CD1 LEU A 23 0.807 -5.830 -14.690 1.00 10.35 C ATOM 176 CD2 LEU A 23 3.277 -6.134 -14.956 1.00 11.64 C ATOM 177 H LEU A 23 0.417 -7.232 -11.768 1.00 0.00 H ATOM 178 N SER A 24 1.253 -10.357 -11.877 1.00 15.29 N ATOM 179 CA SER A 24 1.473 -11.749 -11.494 1.00 20.25 C ATOM 180 C SER A 24 0.166 -12.532 -11.469 1.00 21.23 C ATOM 181 O SER A 24 0.159 -13.735 -11.754 1.00 23.60 O ATOM 182 CB SER A 24 2.164 -11.818 -10.132 1.00 24.89 C ATOM 183 OG SER A 24 1.404 -11.152 -9.138 1.00 25.34 O ATOM 184 HG SER A 24 1.295 -10.201 -9.390 1.00 0.00 H ATOM 185 H SER A 24 1.395 -9.598 -11.181 1.00 0.00 H ATOM 186 N GLN A 25 -0.940 -11.863 -11.134 1.00 18.38 N ATOM 187 CA GLN A 25 -2.257 -12.488 -11.166 1.00 23.45 C ATOM 188 C GLN A 25 -2.604 -13.029 -12.549 1.00 21.88 C ATOM 189 O GLN A 25 -3.291 -14.051 -12.662 1.00 23.51 O ATOM 190 CB GLN A 25 -3.280 -11.440 -10.717 1.00 22.70 C ATOM 191 CG GLN A 25 -4.719 -11.868 -10.545 1.00 33.75 C ATOM 192 CD GLN A 25 -5.599 -10.676 -10.191 1.00 33.81 C ATOM 193 OE1 GLN A 25 -5.575 -9.651 -10.875 1.00 31.27 O ATOM 194 NE2 GLN A 25 -6.354 -10.794 -9.105 1.00 31.79 N ATOM 195 HE22 GLN A 25 -6.343 -11.678 -8.558 1.00 0.00 H ATOM 196 HE21 GLN A 25 -6.956 -10.002 -8.802 1.00 0.00 H ATOM 197 H GLN A 25 -0.860 -10.868 -10.842 1.00 0.00 H ATOM 198 N ARG A 26 -2.130 -12.371 -13.608 1.00 16.05 N ATOM 199 CA ARG A 26 -2.440 -12.768 -14.975 1.00 19.30 C ATOM 200 C ARG A 26 -1.242 -13.380 -15.701 1.00 23.10 C ATOM 201 O ARG A 26 -1.272 -13.520 -16.928 1.00 20.34 O ATOM 202 CB ARG A 26 -2.991 -11.571 -15.750 1.00 26.37 C ATOM 203 CG ARG A 26 -4.334 -11.094 -15.212 1.00 31.37 C ATOM 204 CD ARG A 26 -4.762 -9.788 -15.848 1.00 36.49 C ATOM 205 NE ARG A 26 -5.101 -9.951 -17.258 1.00 31.65 N ATOM 206 CZ ARG A 26 -5.430 -8.952 -18.070 1.00 36.52 C ATOM 207 NH1 ARG A 26 -5.719 -9.199 -19.340 1.00 29.47 N ATOM 208 NH2 ARG A 26 -5.468 -7.706 -17.615 1.00 36.36 N ATOM 209 HE ARG A 26 -5.084 -10.913 -17.653 1.00 0.00 H ATOM 210 HH12 ARG A 26 -5.977 -8.418 -19.976 1.00 0.00 H ATOM 211 HH11 ARG A 26 -5.688 -10.174 -19.700 1.00 0.00 H ATOM 212 HH22 ARG A 26 -5.726 -6.927 -18.254 1.00 0.00 H ATOM 213 HH21 ARG A 26 -5.240 -7.509 -16.620 1.00 0.00 H ATOM 214 H ARG A 26 -1.517 -11.545 -13.452 1.00 0.00 H ATOM 215 N GLY A 27 -0.198 -13.761 -14.971 1.00 17.23 N ATOM 216 CA GLY A 27 0.904 -14.508 -15.552 1.00 19.24 C ATOM 217 C GLY A 27 1.984 -13.675 -16.198 1.00 20.79 C ATOM 218 O GLY A 27 2.839 -14.234 -16.899 1.00 18.76 O ATOM 219 H GLY A 27 -0.170 -13.518 -13.960 1.00 0.00 H ATOM 220 N TYR A 28 1.970 -12.365 -15.995 1.00 16.46 N ATOM 221 CA TYR A 28 2.972 -11.470 -16.546 1.00 18.10 C ATOM 222 C TYR A 28 4.102 -11.272 -15.547 1.00 26.39 C ATOM 223 O TYR A 28 3.936 -11.448 -14.337 1.00 23.37 O ATOM 224 CB TYR A 28 2.344 -10.126 -16.915 1.00 20.45 C ATOM 225 CG TYR A 28 1.325 -10.229 -18.026 1.00 14.66 C ATOM 226 CD1 TYR A 28 1.694 -10.027 -19.347 1.00 15.98 C ATOM 227 CD2 TYR A 28 -0.006 -10.545 -17.756 1.00 14.77 C ATOM 228 CE1 TYR A 28 0.775 -10.127 -20.367 1.00 17.20 C ATOM 229 CE2 TYR A 28 -0.936 -10.647 -18.777 1.00 17.48 C ATOM 230 CZ TYR A 28 -0.537 -10.433 -20.080 1.00 16.73 C ATOM 231 OH TYR A 28 -1.436 -10.525 -21.114 1.00 18.18 O ATOM 232 HH TYR A 28 -0.973 -10.341 -21.970 1.00 0.00 H ATOM 233 H TYR A 28 1.207 -11.960 -15.415 1.00 0.00 H ATOM 234 N GLU A 29 5.267 -10.922 -16.075 1.00 28.30 N ATOM 235 CA GLU A 29 6.453 -10.683 -15.269 1.00 26.61 C ATOM 236 C GLU A 29 6.760 -9.193 -15.256 1.00 27.43 C ATOM 237 O GLU A 29 6.471 -8.473 -16.219 1.00 26.27 O ATOM 238 CB GLU A 29 7.663 -11.463 -15.802 1.00 30.11 C ATOM 239 CG GLU A 29 7.510 -12.981 -15.772 1.00 44.57 C ATOM 240 CD GLU A 29 8.785 -13.708 -16.175 1.00 64.22 C ATOM 241 OE1 GLU A 29 9.882 -13.129 -16.015 1.00 69.46 O ATOM 242 OE2 GLU A 29 8.692 -14.857 -16.657 1.00 72.85 O ATOM 243 H GLU A 29 5.335 -10.814 -17.107 1.00 0.00 H ATOM 244 N TRP A 30 7.312 -8.729 -14.142 1.00 19.36 N ATOM 245 CA TRP A 30 7.806 -7.356 -14.052 1.00 19.43 C ATOM 246 C TRP A 30 8.980 -7.387 -13.085 1.00 23.02 C ATOM 247 O TRP A 30 8.778 -7.413 -11.867 1.00 24.47 O ATOM 248 CB TRP A 30 6.731 -6.393 -13.583 1.00 15.89 C ATOM 249 CG TRP A 30 7.225 -4.987 -13.436 1.00 14.00 C ATOM 250 CD1 TRP A 30 8.128 -4.339 -14.234 1.00 18.07 C ATOM 251 CD2 TRP A 30 6.844 -4.052 -12.421 1.00 13.04 C ATOM 252 NE1 TRP A 30 8.324 -3.055 -13.778 1.00 17.76 N ATOM 253 CE2 TRP A 30 7.546 -2.856 -12.667 1.00 13.19 C ATOM 254 CE3 TRP A 30 5.975 -4.112 -11.329 1.00 16.29 C ATOM 255 CZ2 TRP A 30 7.411 -1.731 -11.855 1.00 19.33 C ATOM 256 CZ3 TRP A 30 5.837 -2.992 -10.527 1.00 20.11 C ATOM 257 CH2 TRP A 30 6.548 -1.819 -10.794 1.00 20.20 C ATOM 258 HE1 TRP A 30 8.959 -2.351 -14.206 1.00 0.00 H ATOM 259 H TRP A 30 7.395 -9.355 -13.316 1.00 0.00 H ATOM 260 N ASP A 31 10.193 -7.373 -13.636 1.00 23.56 N ATOM 261 CA ASP A 31 11.376 -7.593 -12.815 1.00 27.54 C ATOM 262 C ASP A 31 11.504 -6.532 -11.728 1.00 21.04 C ATOM 263 O ASP A 31 11.872 -6.846 -10.589 1.00 23.97 O ATOM 264 CB ASP A 31 12.622 -7.624 -13.700 1.00 41.13 C ATOM 265 CG ASP A 31 12.509 -8.634 -14.829 1.00 51.34 C ATOM 266 OD1 ASP A 31 11.972 -9.738 -14.591 1.00 54.11 O ATOM 267 OD2 ASP A 31 12.951 -8.316 -15.954 1.00 48.45 O ATOM 268 H ASP A 31 10.296 -7.204 -14.657 1.00 0.00 H ATOM 269 N ALA A 32 11.184 -5.276 -12.046 1.00 17.49 N ATOM 270 CA ALA A 32 11.398 -4.216 -11.064 1.00 23.17 C ATOM 271 C ALA A 32 10.447 -4.312 -9.882 1.00 25.71 C ATOM 272 O ALA A 32 10.705 -3.691 -8.847 1.00 30.05 O ATOM 273 CB ALA A 32 11.269 -2.837 -11.711 1.00 21.90 C ATOM 274 H ALA A 32 10.787 -5.055 -12.981 1.00 0.00 H ATOM 275 N GLY A 33 9.353 -5.052 -10.007 1.00 20.68 N ATOM 276 CA GLY A 33 8.482 -5.288 -8.878 1.00 28.26 C ATOM 277 C GLY A 33 8.593 -6.666 -8.272 1.00 38.52 C ATOM 278 O GLY A 33 7.921 -6.944 -7.274 1.00 44.24 O ATOM 279 H GLY A 33 9.119 -5.468 -10.931 1.00 0.00 H ATOM 280 N ASP A 34 9.431 -7.532 -8.835 1.00 41.30 N ATOM 281 CA ASP A 34 9.452 -8.951 -8.489 1.00 52.11 C ATOM 282 C ASP A 34 10.372 -9.245 -7.309 1.00 56.90 C ATOM 283 O ASP A 34 9.992 -9.060 -6.153 1.00 58.48 O ATOM 284 CB ASP A 34 9.874 -9.782 -9.709 1.00 62.29 C ATOM 285 CG ASP A 34 8.702 -10.501 -10.366 1.00 70.83 C ATOM 286 OD1 ASP A 34 7.919 -11.142 -9.635 1.00 74.13 O ATOM 287 OD2 ASP A 34 8.563 -10.428 -11.609 1.00 66.89 O ATOM 288 H ASP A 34 10.099 -7.184 -9.552 1.00 0.00 H TER 289 ASP A 34 ATOM 290 N SER A 90 1.177 -0.988 6.934 1.00 65.96 N ATOM 291 CA SER A 90 0.865 -0.495 5.598 1.00 65.54 C ATOM 292 C SER A 90 0.348 -1.618 4.703 1.00 66.89 C ATOM 293 O SER A 90 -0.164 -1.367 3.611 1.00 60.14 O ATOM 294 CB SER A 90 2.097 0.158 4.964 1.00 60.87 C ATOM 295 OG SER A 90 1.805 0.645 3.666 1.00 56.07 O ATOM 296 HG SER A 90 2.617 1.061 3.281 1.00 0.00 H ATOM 297 HN3 SER A 90 1.908 -1.725 6.868 1.00 0.00 H ATOM 298 HN2 SER A 90 0.318 -1.388 7.364 1.00 0.00 H ATOM 299 HN1 SER A 90 1.526 -0.202 7.519 1.00 0.00 H ATOM 300 N GLU A 91 0.486 -2.861 5.172 1.00 65.47 N ATOM 301 CA GLU A 91 0.009 -3.996 4.389 1.00 56.68 C ATOM 302 C GLU A 91 -1.497 -3.936 4.179 1.00 47.18 C ATOM 303 O GLU A 91 -2.003 -4.428 3.164 1.00 35.62 O ATOM 304 CB GLU A 91 0.395 -5.309 5.071 1.00 61.78 C ATOM 305 H GLU A 91 0.934 -3.020 6.097 1.00 0.00 H ATOM 306 N VAL A 92 -2.227 -3.329 5.117 1.00 40.28 N ATOM 307 CA VAL A 92 -3.681 -3.296 5.007 1.00 28.57 C ATOM 308 C VAL A 92 -4.116 -2.446 3.820 1.00 24.83 C ATOM 309 O VAL A 92 -5.118 -2.751 3.159 1.00 24.84 O ATOM 310 CB VAL A 92 -4.300 -2.792 6.324 1.00 37.40 C ATOM 311 CG1 VAL A 92 -5.803 -3.013 6.311 1.00 36.52 C ATOM 312 CG2 VAL A 92 -3.660 -3.498 7.508 1.00 43.94 C ATOM 313 H VAL A 92 -1.758 -2.878 5.928 1.00 0.00 H ATOM 314 N VAL A 93 -3.382 -1.372 3.525 1.00 25.01 N ATOM 315 CA VAL A 93 -3.733 -0.531 2.384 1.00 23.01 C ATOM 316 C VAL A 93 -3.536 -1.292 1.079 1.00 20.95 C ATOM 317 O VAL A 93 -4.379 -1.234 0.176 1.00 19.06 O ATOM 318 CB VAL A 93 -2.917 0.775 2.412 1.00 24.62 C ATOM 319 CG1 VAL A 93 -3.176 1.600 1.162 1.00 23.19 C ATOM 320 CG2 VAL A 93 -3.276 1.570 3.650 1.00 27.27 C ATOM 321 H VAL A 93 -2.556 -1.133 4.110 1.00 0.00 H ATOM 322 N HIS A 94 -2.430 -2.029 0.963 1.00 21.74 N ATOM 323 CA HIS A 94 -2.194 -2.814 -0.244 1.00 20.53 C ATOM 324 C HIS A 94 -3.276 -3.864 -0.436 1.00 19.44 C ATOM 325 O HIS A 94 -3.751 -4.080 -1.556 1.00 18.01 O ATOM 326 CB HIS A 94 -0.819 -3.471 -0.169 1.00 22.37 C ATOM 327 CG HIS A 94 0.279 -2.504 0.122 1.00 24.09 C ATOM 328 ND1 HIS A 94 0.545 -1.424 -0.691 1.00 25.98 N ATOM 329 CD2 HIS A 94 1.166 -2.436 1.143 1.00 30.07 C ATOM 330 CE1 HIS A 94 1.555 -0.737 -0.189 1.00 27.63 C ATOM 331 NE2 HIS A 94 1.951 -1.330 0.924 1.00 30.12 N ATOM 332 H HIS A 94 -1.734 -2.044 1.735 1.00 0.00 H ATOM 333 N LEU A 95 -3.672 -4.531 0.650 1.00 20.64 N ATOM 334 CA LEU A 95 -4.710 -5.552 0.571 1.00 20.38 C ATOM 335 C LEU A 95 -6.052 -4.939 0.194 1.00 19.11 C ATOM 336 O LEU A 95 -6.772 -5.469 -0.660 1.00 17.90 O ATOM 337 CB LEU A 95 -4.814 -6.288 1.908 1.00 22.83 C ATOM 338 CG LEU A 95 -5.998 -7.239 2.088 1.00 23.46 C ATOM 339 CD1 LEU A 95 -5.830 -8.473 1.222 1.00 23.88 C ATOM 340 CD2 LEU A 95 -6.167 -7.621 3.552 1.00 26.92 C ATOM 341 H LEU A 95 -3.233 -4.319 1.568 1.00 0.00 H ATOM 342 N THR A 96 -6.408 -3.822 0.831 1.00 18.74 N ATOM 343 CA THR A 96 -7.697 -3.194 0.561 1.00 17.66 C ATOM 344 C THR A 96 -7.768 -2.700 -0.873 1.00 19.81 C ATOM 345 O THR A 96 -8.777 -2.898 -1.558 1.00 14.86 O ATOM 346 CB THR A 96 -7.932 -2.047 1.541 1.00 18.90 C ATOM 347 OG1 THR A 96 -7.815 -2.543 2.882 1.00 21.67 O ATOM 348 CG2 THR A 96 -9.326 -1.445 1.336 1.00 24.03 C ATOM 349 HG1 THR A 96 -6.908 -2.916 3.017 1.00 0.00 H ATOM 350 H THR A 96 -5.762 -3.396 1.525 1.00 0.00 H ATOM 351 N LEU A 97 -6.687 -2.088 -1.354 1.00 15.74 N ATOM 352 CA LEU A 97 -6.685 -1.562 -2.711 1.00 17.47 C ATOM 353 C LEU A 97 -6.808 -2.678 -3.743 1.00 17.19 C ATOM 354 O LEU A 97 -7.591 -2.568 -4.693 1.00 16.39 O ATOM 355 CB LEU A 97 -5.420 -0.742 -2.931 1.00 16.19 C ATOM 356 CG LEU A 97 -5.211 -0.081 -4.286 1.00 19.73 C ATOM 357 CD1 LEU A 97 -6.343 0.894 -4.597 1.00 15.00 C ATOM 358 CD2 LEU A 97 -3.873 0.635 -4.263 1.00 20.39 C ATOM 359 H LEU A 97 -5.841 -1.986 -0.758 1.00 0.00 H ATOM 360 N ARG A 98 -6.060 -3.768 -3.578 1.00 16.42 N ATOM 361 CA ARG A 98 -6.130 -4.809 -4.597 1.00 16.10 C ATOM 362 C ARG A 98 -7.467 -5.543 -4.555 1.00 15.62 C ATOM 363 O ARG A 98 -7.977 -5.955 -5.603 1.00 18.02 O ATOM 364 CB ARG A 98 -4.950 -5.773 -4.464 1.00 22.14 C ATOM 365 CG ARG A 98 -4.987 -6.684 -3.272 1.00 19.37 C ATOM 366 CD ARG A 98 -3.640 -7.378 -3.095 1.00 19.70 C ATOM 367 NE ARG A 98 -3.799 -8.620 -2.354 1.00 24.95 N ATOM 368 CZ ARG A 98 -2.813 -9.467 -2.084 1.00 46.44 C ATOM 369 NH1 ARG A 98 -1.579 -9.204 -2.489 1.00 50.46 N ATOM 370 NH2 ARG A 98 -3.066 -10.576 -1.403 1.00 51.71 N ATOM 371 HE ARG A 98 -4.751 -8.861 -2.012 1.00 0.00 H ATOM 372 HH12 ARG A 98 -0.809 -9.870 -2.276 1.00 0.00 H ATOM 373 HH11 ARG A 98 -1.381 -8.332 -3.020 1.00 0.00 H ATOM 374 HH22 ARG A 98 -2.296 -11.242 -1.189 1.00 0.00 H ATOM 375 HH21 ARG A 98 -4.034 -10.780 -1.082 1.00 0.00 H ATOM 376 H ARG A 98 -5.444 -3.873 -2.747 1.00 0.00 H ATOM 377 N GLN A 99 -8.075 -5.670 -3.376 1.00 15.08 N ATOM 378 CA GLN A 99 -9.400 -6.280 -3.307 1.00 16.84 C ATOM 379 C GLN A 99 -10.463 -5.372 -3.919 1.00 16.32 C ATOM 380 O GLN A 99 -11.366 -5.850 -4.617 1.00 14.87 O ATOM 381 CB GLN A 99 -9.739 -6.632 -1.862 1.00 17.37 C ATOM 382 CG GLN A 99 -8.907 -7.793 -1.335 1.00 27.16 C ATOM 383 CD GLN A 99 -9.273 -8.191 0.077 1.00 44.76 C ATOM 384 OE1 GLN A 99 -9.902 -7.427 0.808 1.00 48.27 O ATOM 385 NE2 GLN A 99 -8.882 -9.397 0.470 1.00 50.75 N ATOM 386 HE22 GLN A 99 -8.352 -10.010 -0.182 1.00 0.00 H ATOM 387 HE21 GLN A 99 -9.106 -9.729 1.430 1.00 0.00 H ATOM 388 H GLN A 99 -7.608 -5.336 -2.509 1.00 0.00 H ATOM 389 N ALA A 100 -10.371 -4.060 -3.676 1.00 13.45 N ATOM 390 CA ALA A 100 -11.290 -3.123 -4.319 1.00 12.78 C ATOM 391 C ALA A 100 -11.121 -3.137 -5.834 1.00 13.99 C ATOM 392 O ALA A 100 -12.106 -3.107 -6.580 1.00 12.28 O ATOM 393 CB ALA A 100 -11.070 -1.712 -3.771 1.00 12.89 C ATOM 394 H ALA A 100 -9.641 -3.705 -3.026 1.00 0.00 H ATOM 395 N GLY A 101 -9.876 -3.180 -6.311 1.00 12.32 N ATOM 396 CA GLY A 101 -9.653 -3.185 -7.748 1.00 13.35 C ATOM 397 C GLY A 101 -10.146 -4.458 -8.406 1.00 18.70 C ATOM 398 O GLY A 101 -10.721 -4.418 -9.497 1.00 13.59 O ATOM 399 H GLY A 101 -9.068 -3.210 -5.657 1.00 0.00 H ATOM 400 N ASP A 102 -9.911 -5.604 -7.761 1.00 13.86 N ATOM 401 CA ASP A 102 -10.481 -6.860 -8.237 1.00 15.23 C ATOM 402 C ASP A 102 -11.994 -6.762 -8.341 1.00 15.21 C ATOM 403 O ASP A 102 -12.592 -7.214 -9.327 1.00 18.17 O ATOM 404 CB ASP A 102 -10.095 -8.005 -7.298 1.00 16.54 C ATOM 405 CG ASP A 102 -8.666 -8.484 -7.505 1.00 22.38 C ATOM 406 OD1 ASP A 102 -8.049 -8.112 -8.526 1.00 26.32 O ATOM 407 OD2 ASP A 102 -8.164 -9.236 -6.642 1.00 21.09 O ATOM 408 H ASP A 102 -9.314 -5.601 -6.909 1.00 0.00 H ATOM 409 N ASP A 103 -12.627 -6.164 -7.331 1.00 14.93 N ATOM 410 CA ASP A 103 -14.086 -6.068 -7.311 1.00 14.87 C ATOM 411 C ASP A 103 -14.585 -5.127 -8.400 1.00 15.65 C ATOM 412 O ASP A 103 -15.555 -5.438 -9.101 1.00 16.91 O ATOM 413 CB ASP A 103 -14.537 -5.616 -5.923 1.00 17.21 C ATOM 414 CG ASP A 103 -16.041 -5.472 -5.812 1.00 24.97 C ATOM 415 OD1 ASP A 103 -16.537 -4.328 -5.870 1.00 18.98 O ATOM 416 OD2 ASP A 103 -16.729 -6.506 -5.681 1.00 19.79 O ATOM 417 H ASP A 103 -12.076 -5.760 -6.547 1.00 0.00 H ATOM 418 N LEU A 104 -13.920 -3.979 -8.571 1.00 13.40 N ATOM 419 CA LEU A 104 -14.280 -3.068 -9.653 1.00 13.58 C ATOM 420 C LEU A 104 -14.163 -3.750 -11.010 1.00 17.16 C ATOM 421 O LEU A 104 -15.046 -3.604 -11.865 1.00 15.73 O ATOM 422 CB LEU A 104 -13.391 -1.823 -9.607 1.00 13.05 C ATOM 423 CG LEU A 104 -13.663 -0.782 -10.697 1.00 15.63 C ATOM 424 CD1 LEU A 104 -14.855 0.065 -10.334 1.00 18.66 C ATOM 425 CD2 LEU A 104 -12.441 0.091 -10.907 1.00 21.77 C ATOM 426 H LEU A 104 -13.140 -3.734 -7.928 1.00 0.00 H ATOM 427 N SER A 105 -13.082 -4.507 -11.221 1.00 15.01 N ATOM 428 CA SER A 105 -12.866 -5.147 -12.512 1.00 16.71 C ATOM 429 C SER A 105 -13.919 -6.208 -12.796 1.00 19.31 C ATOM 430 O SER A 105 -14.180 -6.519 -13.964 1.00 21.53 O ATOM 431 CB SER A 105 -11.469 -5.767 -12.564 1.00 21.98 C ATOM 432 OG SER A 105 -11.443 -7.031 -11.925 1.00 28.42 O ATOM 433 HG SER A 105 -11.706 -6.925 -10.977 1.00 0.00 H ATOM 434 H SER A 105 -12.389 -4.640 -10.457 1.00 0.00 H ATOM 435 N ARG A 106 -14.514 -6.780 -11.749 1.00 18.09 N ATOM 436 CA ARG A 106 -15.597 -7.738 -11.942 1.00 20.11 C ATOM 437 C ARG A 106 -16.908 -7.032 -12.258 1.00 20.31 C ATOM 438 O ARG A 106 -17.679 -7.498 -13.103 1.00 22.47 O ATOM 439 CB ARG A 106 -15.760 -8.610 -10.698 1.00 25.26 C ATOM 440 CG ARG A 106 -14.647 -9.615 -10.488 1.00 28.99 C ATOM 441 CD ARG A 106 -15.025 -10.621 -9.417 1.00 38.12 C ATOM 442 NE ARG A 106 -14.749 -10.121 -8.075 1.00 40.76 N ATOM 443 CZ ARG A 106 -13.587 -10.281 -7.451 1.00 46.08 C ATOM 444 NH1 ARG A 106 -12.596 -10.929 -8.051 1.00 47.85 N ATOM 445 NH2 ARG A 106 -13.415 -9.794 -6.229 1.00 44.62 N ATOM 446 HE ARG A 106 -15.506 -9.610 -7.578 1.00 0.00 H ATOM 447 HH12 ARG A 106 -11.686 -11.055 -7.563 1.00 0.00 H ATOM 448 HH11 ARG A 106 -12.729 -11.311 -9.009 1.00 0.00 H ATOM 449 HH22 ARG A 106 -12.505 -9.920 -5.742 1.00 0.00 H ATOM 450 HH21 ARG A 106 -14.191 -9.286 -5.758 1.00 0.00 H ATOM 451 H ARG A 106 -14.203 -6.541 -10.786 1.00 0.00 H ATOM 452 N ARG A 107 -17.172 -5.909 -11.588 1.00 18.58 N ATOM 453 CA ARG A 107 -18.424 -5.194 -11.815 1.00 19.17 C ATOM 454 C ARG A 107 -18.461 -4.529 -13.185 1.00 20.01 C ATOM 455 O ARG A 107 -19.539 -4.394 -13.774 1.00 21.67 O ATOM 456 CB ARG A 107 -18.642 -4.158 -10.713 1.00 17.76 C ATOM 457 CG ARG A 107 -18.767 -4.780 -9.342 1.00 17.65 C ATOM 458 CD ARG A 107 -19.197 -3.798 -8.264 1.00 21.26 C ATOM 459 NE ARG A 107 -19.094 -4.445 -6.959 1.00 19.13 N ATOM 460 CZ ARG A 107 -20.050 -5.177 -6.400 1.00 22.83 C ATOM 461 NH1 ARG A 107 -21.220 -5.340 -7.009 1.00 22.60 N ATOM 462 NH2 ARG A 107 -19.840 -5.740 -5.218 1.00 33.68 N ATOM 463 HE ARG A 107 -18.207 -4.324 -6.429 1.00 0.00 H ATOM 464 HH12 ARG A 107 -21.963 -5.915 -6.563 1.00 0.00 H ATOM 465 HH11 ARG A 107 -21.393 -4.892 -7.932 1.00 0.00 H ATOM 466 HH22 ARG A 107 -20.586 -6.314 -4.776 1.00 0.00 H ATOM 467 HH21 ARG A 107 -18.930 -5.607 -4.733 1.00 0.00 H ATOM 468 H ARG A 107 -16.483 -5.542 -10.901 1.00 0.00 H ATOM 469 N TYR A 108 -17.309 -4.114 -13.709 1.00 18.69 N ATOM 470 CA TYR A 108 -17.228 -3.386 -14.971 1.00 18.39 C ATOM 471 C TYR A 108 -16.335 -4.120 -15.965 1.00 19.98 C ATOM 472 O TYR A 108 -15.543 -3.516 -16.690 1.00 19.85 O ATOM 473 CB TYR A 108 -16.763 -1.950 -14.724 1.00 17.86 C ATOM 474 CG TYR A 108 -17.759 -1.251 -13.824 1.00 18.68 C ATOM 475 CD1 TYR A 108 -17.576 -1.215 -12.447 1.00 18.58 C ATOM 476 CD2 TYR A 108 -18.925 -0.711 -14.346 1.00 20.25 C ATOM 477 CE1 TYR A 108 -18.509 -0.623 -11.617 1.00 19.78 C ATOM 478 CE2 TYR A 108 -19.863 -0.113 -13.525 1.00 21.49 C ATOM 479 CZ TYR A 108 -19.651 -0.072 -12.165 1.00 21.13 C ATOM 480 OH TYR A 108 -20.590 0.516 -11.352 1.00 22.77 O ATOM 481 HH TYR A 108 -20.289 0.463 -10.410 1.00 0.00 H ATOM 482 H TYR A 108 -16.428 -4.318 -13.196 1.00 0.00 H ATOM 483 N ARG A 109 -16.495 -5.448 -16.019 1.00 18.86 N ATOM 484 CA ARG A 109 -15.664 -6.283 -16.883 1.00 19.08 C ATOM 485 C ARG A 109 -15.783 -5.886 -18.351 1.00 22.63 C ATOM 486 O ARG A 109 -14.797 -5.940 -19.093 1.00 21.71 O ATOM 487 CB ARG A 109 -16.041 -7.753 -16.703 1.00 31.98 C ATOM 488 CG ARG A 109 -17.523 -8.024 -16.870 1.00 41.42 C ATOM 489 CD ARG A 109 -17.808 -9.504 -17.057 1.00 57.47 C ATOM 490 NE ARG A 109 -17.042 -10.329 -16.129 1.00 64.49 N ATOM 491 CZ ARG A 109 -17.312 -10.450 -14.832 1.00 68.95 C ATOM 492 NH1 ARG A 109 -18.330 -9.791 -14.296 1.00 62.40 N ATOM 493 NH2 ARG A 109 -16.557 -11.226 -14.068 1.00 72.23 N ATOM 494 HE ARG A 109 -16.230 -10.858 -16.507 1.00 0.00 H ATOM 495 HH12 ARG A 109 -18.537 -9.889 -13.281 1.00 0.00 H ATOM 496 HH11 ARG A 109 -18.922 -9.176 -14.890 1.00 0.00 H ATOM 497 HH22 ARG A 109 -16.768 -11.321 -13.054 1.00 0.00 H ATOM 498 HH21 ARG A 109 -15.754 -11.740 -14.482 1.00 0.00 H ATOM 499 H ARG A 109 -17.228 -5.896 -15.432 1.00 0.00 H ATOM 500 N ARG A 110 -16.989 -5.509 -18.789 1.00 21.04 N ATOM 501 CA ARG A 110 -17.180 -5.095 -20.175 1.00 23.47 C ATOM 502 C ARG A 110 -16.378 -3.839 -20.486 1.00 25.79 C ATOM 503 O ARG A 110 -15.767 -3.733 -21.557 1.00 23.46 O ATOM 504 CB ARG A 110 -18.668 -4.871 -20.453 1.00 25.70 C ATOM 505 CG ARG A 110 -18.985 -4.255 -21.814 1.00 29.62 C ATOM 506 CD ARG A 110 -18.779 -5.242 -22.950 1.00 38.89 C ATOM 507 NE ARG A 110 -19.309 -4.734 -24.213 1.00 42.85 N ATOM 508 CZ ARG A 110 -20.546 -4.952 -24.647 1.00 45.32 C ATOM 509 NH1 ARG A 110 -21.388 -5.677 -23.922 1.00 49.30 N ATOM 510 NH2 ARG A 110 -20.943 -4.452 -25.811 1.00 48.63 N ATOM 511 HE ARG A 110 -18.677 -4.165 -24.811 1.00 0.00 H ATOM 512 HH12 ARG A 110 -22.356 -5.846 -24.264 1.00 0.00 H ATOM 513 HH11 ARG A 110 -21.080 -6.076 -23.012 1.00 0.00 H ATOM 514 HH22 ARG A 110 -21.912 -4.624 -26.148 1.00 0.00 H ATOM 515 HH21 ARG A 110 -20.285 -3.888 -26.386 1.00 0.00 H ATOM 516 H ARG A 110 -17.798 -5.511 -18.136 1.00 0.00 H ATOM 517 N ASP A 111 -16.363 -2.877 -19.557 1.00 21.16 N ATOM 518 CA ASP A 111 -15.586 -1.657 -19.763 1.00 24.18 C ATOM 519 C ASP A 111 -14.095 -1.954 -19.814 1.00 20.31 C ATOM 520 O ASP A 111 -13.364 -1.359 -20.614 1.00 24.08 O ATOM 521 CB ASP A 111 -15.871 -0.643 -18.655 1.00 26.00 C ATOM 522 CG ASP A 111 -17.218 0.027 -18.805 1.00 34.17 C ATOM 523 OD1 ASP A 111 -17.973 0.065 -17.811 1.00 36.48 O ATOM 524 OD2 ASP A 111 -17.523 0.509 -19.915 1.00 39.60 O ATOM 525 H ASP A 111 -16.909 -2.998 -18.680 1.00 0.00 H ATOM 526 N PHE A 112 -13.627 -2.856 -18.949 1.00 18.72 N ATOM 527 CA PHE A 112 -12.216 -3.223 -18.932 1.00 18.39 C ATOM 528 C PHE A 112 -11.815 -3.932 -20.219 1.00 21.09 C ATOM 529 O PHE A 112 -10.760 -3.639 -20.794 1.00 23.99 O ATOM 530 CB PHE A 112 -11.922 -4.116 -17.726 1.00 18.57 C ATOM 531 CG PHE A 112 -11.824 -3.377 -16.417 1.00 17.39 C ATOM 532 CD1 PHE A 112 -10.798 -3.658 -15.533 1.00 17.38 C ATOM 533 CD2 PHE A 112 -12.751 -2.408 -16.069 1.00 23.33 C ATOM 534 CE1 PHE A 112 -10.699 -2.987 -14.328 1.00 17.00 C ATOM 535 CE2 PHE A 112 -12.657 -1.735 -14.866 1.00 21.61 C ATOM 536 CZ PHE A 112 -11.630 -2.026 -13.994 1.00 24.88 C ATOM 537 H PHE A 112 -14.280 -3.305 -18.275 1.00 0.00 H ATOM 538 N ALA A 113 -12.641 -4.877 -20.679 1.00 22.71 N ATOM 539 CA ALA A 113 -12.329 -5.596 -21.910 1.00 24.06 C ATOM 540 C ALA A 113 -12.298 -4.652 -23.105 1.00 24.37 C ATOM 541 O ALA A 113 -11.448 -4.790 -23.992 1.00 25.88 O ATOM 542 CB ALA A 113 -13.343 -6.717 -22.136 1.00 24.37 C ATOM 543 H ALA A 113 -13.512 -5.101 -20.156 1.00 0.00 H ATOM 544 N GLU A 114 -13.216 -3.684 -23.144 1.00 24.77 N ATOM 545 CA GLU A 114 -13.214 -2.717 -24.236 1.00 31.39 C ATOM 546 C GLU A 114 -11.982 -1.822 -24.171 1.00 27.88 C ATOM 547 O GLU A 114 -11.360 -1.542 -25.201 1.00 30.63 O ATOM 548 CB GLU A 114 -14.498 -1.884 -24.214 1.00 29.11 C ATOM 549 CG GLU A 114 -15.753 -2.686 -24.554 1.00 46.61 C ATOM 550 CD GLU A 114 -16.959 -1.813 -24.863 1.00 62.34 C ATOM 551 OE1 GLU A 114 -16.766 -0.671 -25.332 1.00 71.11 O ATOM 552 OE2 GLU A 114 -18.102 -2.271 -24.639 1.00 65.83 O ATOM 553 H GLU A 114 -13.934 -3.619 -22.394 1.00 0.00 H ATOM 554 N MET A 115 -11.600 -1.390 -22.967 1.00 25.54 N ATOM 555 CA MET A 115 -10.400 -0.571 -22.817 1.00 26.60 C ATOM 556 C MET A 115 -9.156 -1.330 -23.260 1.00 26.66 C ATOM 557 O MET A 115 -8.317 -0.798 -23.996 1.00 37.28 O ATOM 558 CB MET A 115 -10.254 -0.116 -21.365 1.00 26.62 C ATOM 559 CG MET A 115 -8.967 0.646 -21.103 1.00 28.09 C ATOM 560 SD MET A 115 -8.953 2.209 -21.998 1.00 29.01 S ATOM 561 CE MET A 115 -10.136 3.134 -21.025 1.00 29.70 C ATOM 562 H MET A 115 -12.162 -1.639 -22.128 1.00 0.00 H ATOM 563 N SER A 116 -9.014 -2.580 -22.809 1.00 24.85 N ATOM 564 CA SER A 116 -7.870 -3.392 -23.213 1.00 25.83 C ATOM 565 C SER A 116 -7.764 -3.484 -24.729 1.00 33.15 C ATOM 566 O SER A 116 -6.663 -3.419 -25.290 1.00 33.08 O ATOM 567 CB SER A 116 -7.983 -4.794 -22.608 1.00 27.90 C ATOM 568 OG SER A 116 -8.049 -4.745 -21.194 1.00 24.36 O ATOM 569 HG SER A 116 -8.842 -4.220 -20.920 1.00 0.00 H ATOM 570 H SER A 116 -9.726 -2.978 -22.164 1.00 0.00 H ATOM 571 N SER A 117 -8.906 -3.612 -25.409 1.00 29.76 N ATOM 572 CA SER A 117 -8.907 -3.803 -26.856 1.00 33.40 C ATOM 573 C SER A 117 -8.566 -2.523 -27.610 1.00 37.60 C ATOM 574 O SER A 117 -8.078 -2.590 -28.743 1.00 44.09 O ATOM 575 CB SER A 117 -10.273 -4.318 -27.311 1.00 40.17 C ATOM 576 OG SER A 117 -10.656 -5.473 -26.586 1.00 45.90 O ATOM 577 HG SER A 117 -10.707 -5.254 -25.622 1.00 0.00 H ATOM 578 H SER A 117 -9.811 -3.575 -24.898 1.00 0.00 H ATOM 579 N GLN A 118 -8.818 -1.357 -27.013 1.00 36.72 N ATOM 580 CA GLN A 118 -8.731 -0.087 -27.726 1.00 44.64 C ATOM 581 C GLN A 118 -7.411 0.654 -27.547 1.00 45.65 C ATOM 582 O GLN A 118 -7.208 1.673 -28.213 1.00 45.95 O ATOM 583 CB GLN A 118 -9.868 0.845 -27.281 1.00 54.02 C ATOM 584 CG GLN A 118 -11.265 0.372 -27.637 1.00 67.35 C ATOM 585 CD GLN A 118 -11.523 0.388 -29.127 1.00 87.36 C ATOM 586 OE1 GLN A 118 -11.187 -0.560 -29.837 1.00 93.33 O ATOM 587 NE2 GLN A 118 -12.124 1.469 -29.611 1.00 96.86 N ATOM 588 HE22 GLN A 118 -12.390 2.246 -28.973 1.00 0.00 H ATOM 589 HE21 GLN A 118 -12.329 1.539 -30.628 1.00 0.00 H ATOM 590 H GLN A 118 -9.085 -1.353 -26.008 1.00 0.00 H ATOM 591 N LEU A 119 -6.518 0.190 -26.673 1.00 30.44 N ATOM 592 CA LEU A 119 -5.369 1.013 -26.302 1.00 35.65 C ATOM 593 C LEU A 119 -4.412 1.224 -27.475 1.00 43.08 C ATOM 594 O LEU A 119 -4.022 2.362 -27.764 1.00 41.80 O ATOM 595 CB LEU A 119 -4.654 0.401 -25.098 1.00 30.61 C ATOM 596 CG LEU A 119 -5.274 0.899 -23.788 1.00 28.52 C ATOM 597 CD1 LEU A 119 -4.654 0.241 -22.568 1.00 24.64 C ATOM 598 CD2 LEU A 119 -5.140 2.412 -23.701 1.00 22.28 C ATOM 599 H LEU A 119 -6.639 -0.755 -26.256 1.00 0.00 H ATOM 600 N HIS A 120 -4.023 0.147 -28.160 1.00 40.40 N ATOM 601 CA HIS A 120 -3.128 0.222 -29.324 1.00 48.79 C ATOM 602 C HIS A 120 -1.840 0.977 -28.993 1.00 35.08 C ATOM 603 O HIS A 120 -1.443 1.916 -29.685 1.00 37.68 O ATOM 604 CB HIS A 120 -3.832 0.869 -30.521 1.00 54.22 C ATOM 605 CG HIS A 120 -5.123 0.212 -30.895 1.00 65.55 C ATOM 606 ND1 HIS A 120 -5.341 -1.140 -30.749 1.00 67.97 N ATOM 607 CD2 HIS A 120 -6.267 0.726 -31.406 1.00 68.58 C ATOM 608 CE1 HIS A 120 -6.563 -1.432 -31.158 1.00 69.28 C ATOM 609 NE2 HIS A 120 -7.146 -0.317 -31.560 1.00 70.52 N ATOM 610 H HIS A 120 -4.368 -0.786 -27.857 1.00 0.00 H ATOM 611 N LEU A 121 -1.174 0.545 -27.928 1.00 29.28 N ATOM 612 CA LEU A 121 -0.025 1.279 -27.415 1.00 20.90 C ATOM 613 C LEU A 121 1.185 1.151 -28.332 1.00 32.95 C ATOM 614 O LEU A 121 1.383 0.135 -29.002 1.00 33.18 O ATOM 615 CB LEU A 121 0.349 0.776 -26.023 1.00 22.79 C ATOM 616 CG LEU A 121 -0.666 0.986 -24.905 1.00 25.47 C ATOM 617 CD1 LEU A 121 -0.184 0.287 -23.654 1.00 30.04 C ATOM 618 CD2 LEU A 121 -0.872 2.467 -24.645 1.00 24.89 C ATOM 619 H LEU A 121 -1.477 -0.330 -27.454 1.00 0.00 H ATOM 620 N THR A 122 1.997 2.214 -28.361 1.00 29.56 N ATOM 621 CA THR A 122 3.339 2.223 -28.937 1.00 30.35 C ATOM 622 C THR A 122 4.231 2.980 -27.956 1.00 27.37 C ATOM 623 O THR A 122 3.708 3.619 -27.033 1.00 27.48 O ATOM 624 CB THR A 122 3.365 2.880 -30.323 1.00 34.37 C ATOM 625 OG1 THR A 122 3.271 4.302 -30.185 1.00 37.13 O ATOM 626 CG2 THR A 122 2.226 2.375 -31.200 1.00 32.34 C ATOM 627 HG1 THR A 122 2.424 4.533 -29.728 1.00 0.00 H ATOM 628 H THR A 122 1.647 3.099 -27.942 1.00 0.00 H ATOM 629 N PRO A 123 5.561 2.939 -28.095 1.00 29.33 N ATOM 630 CA PRO A 123 6.398 3.656 -27.115 1.00 29.17 C ATOM 631 C PRO A 123 6.172 5.158 -27.107 1.00 32.14 C ATOM 632 O PRO A 123 6.213 5.782 -26.038 1.00 28.88 O ATOM 633 CB PRO A 123 7.827 3.295 -27.549 1.00 38.57 C ATOM 634 CG PRO A 123 7.684 2.016 -28.298 1.00 38.33 C ATOM 635 CD PRO A 123 6.383 2.144 -29.027 1.00 40.02 C ATOM 636 N PHE A 124 5.919 5.758 -28.271 1.00 29.64 N ATOM 637 CA PHE A 124 5.782 7.206 -28.367 1.00 29.32 C ATOM 638 C PHE A 124 4.382 7.700 -28.013 1.00 27.67 C ATOM 639 O PHE A 124 4.214 8.897 -27.756 1.00 29.20 O ATOM 640 CB PHE A 124 6.147 7.669 -29.779 1.00 44.71 C ATOM 641 CG PHE A 124 7.430 7.080 -30.296 1.00 60.25 C ATOM 642 CD1 PHE A 124 8.642 7.700 -30.047 1.00 65.00 C ATOM 643 CD2 PHE A 124 7.423 5.900 -31.026 1.00 68.61 C ATOM 644 CE1 PHE A 124 9.825 7.158 -30.520 1.00 73.00 C ATOM 645 CE2 PHE A 124 8.601 5.352 -31.500 1.00 73.49 C ATOM 646 CZ PHE A 124 9.804 5.982 -31.247 1.00 75.08 C ATOM 647 H PHE A 124 5.817 5.180 -29.129 1.00 0.00 H ATOM 648 N THR A 125 3.385 6.818 -27.992 1.00 21.78 N ATOM 649 CA THR A 125 2.009 7.221 -27.723 1.00 22.58 C ATOM 650 C THR A 125 1.530 6.859 -26.325 1.00 19.92 C ATOM 651 O THR A 125 0.458 7.323 -25.921 1.00 17.99 O ATOM 652 CB THR A 125 1.055 6.594 -28.750 1.00 21.81 C ATOM 653 OG1 THR A 125 1.101 5.164 -28.644 1.00 25.37 O ATOM 654 CG2 THR A 125 1.429 7.016 -30.165 1.00 25.17 C ATOM 655 HG1 THR A 125 2.024 4.851 -28.819 1.00 0.00 H ATOM 656 H THR A 125 3.593 5.815 -28.172 1.00 0.00 H ATOM 657 N ALA A 126 2.296 6.057 -25.576 1.00 17.95 N ATOM 658 CA ALA A 126 1.795 5.494 -24.324 1.00 16.98 C ATOM 659 C ALA A 126 1.452 6.580 -23.314 1.00 15.43 C ATOM 660 O ALA A 126 0.424 6.504 -22.627 1.00 15.32 O ATOM 661 CB ALA A 126 2.829 4.530 -23.740 1.00 18.74 C ATOM 662 H ALA A 126 3.262 5.831 -25.889 1.00 0.00 H ATOM 663 N ARG A 127 2.305 7.595 -23.203 1.00 16.22 N ATOM 664 CA ARG A 127 2.048 8.676 -22.259 1.00 15.82 C ATOM 665 C ARG A 127 0.768 9.422 -22.617 1.00 16.15 C ATOM 666 O ARG A 127 -0.027 9.766 -21.733 1.00 16.96 O ATOM 667 CB ARG A 127 3.254 9.615 -22.236 1.00 23.04 C ATOM 668 CG ARG A 127 3.116 10.797 -21.318 1.00 29.55 C ATOM 669 CD ARG A 127 3.102 10.391 -19.863 1.00 26.47 C ATOM 670 NE ARG A 127 2.942 11.574 -19.029 1.00 35.60 N ATOM 671 CZ ARG A 127 1.766 12.118 -18.751 1.00 42.10 C ATOM 672 NH1 ARG A 127 0.662 11.571 -19.235 1.00 45.41 N ATOM 673 NH2 ARG A 127 1.692 13.207 -18.000 1.00 45.08 N ATOM 674 HE ARG A 127 3.795 12.015 -18.631 1.00 0.00 H ATOM 675 HH12 ARG A 127 -0.264 11.993 -19.021 1.00 0.00 H ATOM 676 HH11 ARG A 127 0.721 10.720 -19.829 1.00 0.00 H ATOM 677 HH22 ARG A 127 0.766 13.629 -17.786 1.00 0.00 H ATOM 678 HH21 ARG A 127 2.560 13.640 -17.625 1.00 0.00 H ATOM 679 H ARG A 127 3.161 7.617 -23.794 1.00 0.00 H ATOM 680 N GLY A 128 0.542 9.655 -23.911 1.00 17.14 N ATOM 681 CA GLY A 128 -0.667 10.352 -24.328 1.00 17.58 C ATOM 682 C GLY A 128 -1.926 9.542 -24.086 1.00 16.47 C ATOM 683 O GLY A 128 -2.955 10.087 -23.679 1.00 16.23 O ATOM 684 H GLY A 128 1.230 9.338 -24.623 1.00 0.00 H ATOM 685 N ARG A 129 -1.868 8.232 -24.346 1.00 16.61 N ATOM 686 CA ARG A 129 -2.995 7.367 -24.005 1.00 16.95 C ATOM 687 C ARG A 129 -3.281 7.408 -22.512 1.00 14.54 C ATOM 688 O ARG A 129 -4.443 7.482 -22.096 1.00 15.24 O ATOM 689 CB ARG A 129 -2.705 5.934 -24.444 1.00 15.06 C ATOM 690 CG ARG A 129 -2.475 5.784 -25.925 1.00 21.07 C ATOM 691 CD ARG A 129 -3.788 5.818 -26.683 1.00 37.69 C ATOM 692 NE ARG A 129 -3.708 6.659 -27.871 1.00 53.92 N ATOM 693 CZ ARG A 129 -3.169 6.279 -29.025 1.00 52.92 C ATOM 694 NH1 ARG A 129 -2.653 5.064 -29.154 1.00 53.05 N ATOM 695 NH2 ARG A 129 -3.144 7.117 -30.050 1.00 50.29 N ATOM 696 HE ARG A 129 -4.099 7.621 -27.812 1.00 0.00 H ATOM 697 HH12 ARG A 129 -2.232 4.771 -30.059 1.00 0.00 H ATOM 698 HH11 ARG A 129 -2.669 4.404 -28.350 1.00 0.00 H ATOM 699 HH22 ARG A 129 -2.723 6.821 -30.954 1.00 0.00 H ATOM 700 HH21 ARG A 129 -3.546 8.071 -29.951 1.00 0.00 H ATOM 701 H ARG A 129 -1.020 7.828 -24.792 1.00 0.00 H ATOM 702 N PHE A 130 -2.230 7.346 -21.694 1.00 13.05 N ATOM 703 CA PHE A 130 -2.400 7.421 -20.246 1.00 15.29 C ATOM 704 C PHE A 130 -3.066 8.730 -19.849 1.00 17.65 C ATOM 705 O PHE A 130 -4.096 8.739 -19.163 1.00 17.57 O ATOM 706 CB PHE A 130 -1.040 7.276 -19.562 1.00 12.85 C ATOM 707 CG PHE A 130 -1.120 7.130 -18.065 1.00 14.78 C ATOM 708 CD1 PHE A 130 -0.880 8.208 -17.232 1.00 18.60 C ATOM 709 CD2 PHE A 130 -1.442 5.910 -17.496 1.00 23.89 C ATOM 710 CE1 PHE A 130 -0.949 8.064 -15.856 1.00 17.03 C ATOM 711 CE2 PHE A 130 -1.517 5.765 -16.123 1.00 22.82 C ATOM 712 CZ PHE A 130 -1.275 6.844 -15.303 1.00 18.77 C ATOM 713 H PHE A 130 -1.275 7.243 -22.093 1.00 0.00 H ATOM 714 N ALA A 131 -2.496 9.849 -20.294 1.00 13.96 N ATOM 715 CA ALA A 131 -3.041 11.158 -19.949 1.00 13.76 C ATOM 716 C ALA A 131 -4.481 11.303 -20.414 1.00 17.06 C ATOM 717 O ALA A 131 -5.315 11.882 -19.704 1.00 18.48 O ATOM 718 CB ALA A 131 -2.180 12.255 -20.569 1.00 16.64 C ATOM 719 H ALA A 131 -1.650 9.789 -20.896 1.00 0.00 H ATOM 720 N THR A 132 -4.788 10.803 -21.615 1.00 16.15 N ATOM 721 CA THR A 132 -6.123 10.991 -22.178 1.00 16.13 C ATOM 722 C THR A 132 -7.175 10.299 -21.324 1.00 19.58 C ATOM 723 O THR A 132 -8.228 10.878 -21.029 1.00 20.79 O ATOM 724 CB THR A 132 -6.174 10.464 -23.615 1.00 20.64 C ATOM 725 OG1 THR A 132 -5.259 11.201 -24.438 1.00 26.69 O ATOM 726 CG2 THR A 132 -7.581 10.598 -24.189 1.00 19.43 C ATOM 727 HG1 THR A 132 -5.298 10.855 -25.365 1.00 0.00 H ATOM 728 H THR A 132 -4.071 10.276 -22.153 1.00 0.00 H ATOM 729 N VAL A 133 -6.897 9.065 -20.901 1.00 14.47 N ATOM 730 CA VAL A 133 -7.878 8.321 -20.121 1.00 15.42 C ATOM 731 C VAL A 133 -7.985 8.883 -18.711 1.00 15.97 C ATOM 732 O VAL A 133 -9.089 9.039 -18.176 1.00 18.44 O ATOM 733 CB VAL A 133 -7.518 6.827 -20.115 1.00 14.38 C ATOM 734 CG1 VAL A 133 -8.392 6.074 -19.113 1.00 17.72 C ATOM 735 CG2 VAL A 133 -7.678 6.257 -21.516 1.00 13.53 C ATOM 736 H VAL A 133 -5.979 8.633 -21.128 1.00 0.00 H ATOM 737 N VAL A 134 -6.848 9.209 -18.090 1.00 15.65 N ATOM 738 CA VAL A 134 -6.881 9.731 -16.726 1.00 16.01 C ATOM 739 C VAL A 134 -7.678 11.030 -16.667 1.00 17.86 C ATOM 740 O VAL A 134 -8.446 11.260 -15.725 1.00 16.65 O ATOM 741 CB VAL A 134 -5.451 9.916 -16.186 1.00 21.92 C ATOM 742 CG1 VAL A 134 -5.491 10.630 -14.860 1.00 29.17 C ATOM 743 CG2 VAL A 134 -4.769 8.567 -16.028 1.00 15.54 C ATOM 744 H VAL A 134 -5.938 9.091 -18.579 1.00 0.00 H ATOM 745 N GLU A 135 -7.528 11.896 -17.675 1.00 14.83 N ATOM 746 CA GLU A 135 -8.293 13.137 -17.658 1.00 14.15 C ATOM 747 C GLU A 135 -9.792 12.872 -17.731 1.00 17.26 C ATOM 748 O GLU A 135 -10.580 13.518 -17.026 1.00 20.37 O ATOM 749 CB GLU A 135 -7.867 14.054 -18.804 1.00 15.57 C ATOM 750 CG GLU A 135 -8.733 15.301 -18.864 1.00 18.50 C ATOM 751 CD GLU A 135 -8.374 16.236 -19.993 1.00 31.74 C ATOM 752 OE1 GLU A 135 -8.618 17.450 -19.845 1.00 30.32 O ATOM 753 OE2 GLU A 135 -7.854 15.764 -21.024 1.00 30.13 O ATOM 754 H GLU A 135 -6.876 11.688 -18.458 1.00 0.00 H ATOM 755 N GLU A 136 -10.209 11.939 -18.589 1.00 21.96 N ATOM 756 CA GLU A 136 -11.630 11.609 -18.682 1.00 24.02 C ATOM 757 C GLU A 136 -12.129 10.986 -17.385 1.00 21.85 C ATOM 758 O GLU A 136 -13.237 11.287 -16.924 1.00 20.55 O ATOM 759 CB GLU A 136 -11.867 10.665 -19.863 1.00 23.35 C ATOM 760 CG GLU A 136 -13.330 10.350 -20.158 1.00 35.11 C ATOM 761 CD GLU A 136 -14.105 11.549 -20.669 1.00 49.80 C ATOM 762 OE1 GLU A 136 -15.337 11.587 -20.467 1.00 55.21 O ATOM 763 OE2 GLU A 136 -13.486 12.451 -21.273 1.00 47.36 O ATOM 764 H GLU A 136 -9.521 11.445 -19.193 1.00 0.00 H ATOM 765 N LEU A 137 -11.312 10.118 -16.785 1.00 18.53 N ATOM 766 CA LEU A 137 -11.682 9.444 -15.545 1.00 18.00 C ATOM 767 C LEU A 137 -12.021 10.432 -14.434 1.00 21.01 C ATOM 768 O LEU A 137 -12.957 10.209 -13.658 1.00 17.61 O ATOM 769 CB LEU A 137 -10.535 8.530 -15.113 1.00 13.32 C ATOM 770 CG LEU A 137 -10.722 7.710 -13.845 1.00 18.88 C ATOM 771 CD1 LEU A 137 -11.968 6.843 -13.970 1.00 18.84 C ATOM 772 CD2 LEU A 137 -9.484 6.856 -13.624 1.00 16.06 C ATOM 773 H LEU A 137 -10.386 9.916 -17.213 1.00 0.00 H ATOM 774 N PHE A 138 -11.268 11.526 -14.330 1.00 15.29 N ATOM 775 CA PHE A 138 -11.428 12.465 -13.225 1.00 18.22 C ATOM 776 C PHE A 138 -12.070 13.779 -13.647 1.00 22.94 C ATOM 777 O PHE A 138 -12.059 14.736 -12.866 1.00 19.51 O ATOM 778 CB PHE A 138 -10.074 12.748 -12.565 1.00 19.35 C ATOM 779 CG PHE A 138 -9.465 11.557 -11.874 1.00 16.53 C ATOM 780 CD1 PHE A 138 -8.279 11.006 -12.334 1.00 21.13 C ATOM 781 CD2 PHE A 138 -10.071 10.992 -10.762 1.00 16.81 C ATOM 782 CE1 PHE A 138 -7.708 9.915 -11.697 1.00 20.23 C ATOM 783 CE2 PHE A 138 -9.504 9.897 -10.123 1.00 15.54 C ATOM 784 CZ PHE A 138 -8.319 9.364 -10.589 1.00 14.31 C ATOM 785 H PHE A 138 -10.547 11.716 -15.055 1.00 0.00 H ATOM 786 N ARG A 139 -12.631 13.850 -14.856 1.00 19.34 N ATOM 787 CA ARG A 139 -13.163 15.118 -15.350 1.00 23.82 C ATOM 788 C ARG A 139 -14.320 15.625 -14.498 1.00 26.62 C ATOM 789 O ARG A 139 -14.525 16.840 -14.392 1.00 31.75 O ATOM 790 CB ARG A 139 -13.607 14.963 -16.801 1.00 28.09 C ATOM 791 CG ARG A 139 -13.883 16.272 -17.503 1.00 53.28 C ATOM 792 CD ARG A 139 -14.281 16.013 -18.934 1.00 69.85 C ATOM 793 NE ARG A 139 -15.541 15.286 -19.016 1.00 82.78 N ATOM 794 CZ ARG A 139 -15.923 14.583 -20.075 1.00 92.98 C ATOM 795 NH1 ARG A 139 -17.088 13.951 -20.069 1.00 95.34 N ATOM 796 NH2 ARG A 139 -15.131 14.502 -21.136 1.00 96.01 N ATOM 797 HE ARG A 139 -16.179 15.320 -18.196 1.00 0.00 H ATOM 798 HH12 ARG A 139 -17.385 13.401 -20.900 1.00 0.00 H ATOM 799 HH11 ARG A 139 -17.705 14.005 -19.233 1.00 0.00 H ATOM 800 HH22 ARG A 139 -15.429 13.952 -21.967 1.00 0.00 H ATOM 801 HH21 ARG A 139 -14.212 14.989 -21.137 1.00 0.00 H ATOM 802 H ARG A 139 -12.690 12.998 -15.450 1.00 0.00 H ATOM 803 N ASP A 140 -15.090 14.725 -13.894 1.00 24.49 N ATOM 804 CA ASP A 140 -16.191 15.125 -13.029 1.00 30.73 C ATOM 805 C ASP A 140 -15.791 15.205 -11.561 1.00 30.63 C ATOM 806 O ASP A 140 -16.662 15.386 -10.705 1.00 31.67 O ATOM 807 CB ASP A 140 -17.371 14.167 -13.197 1.00 40.41 C ATOM 808 CG ASP A 140 -18.162 14.437 -14.461 1.00 52.39 C ATOM 809 OD1 ASP A 140 -17.812 15.390 -15.188 1.00 50.21 O ATOM 810 OD2 ASP A 140 -19.136 13.699 -14.725 1.00 57.52 O ATOM 811 H ASP A 140 -14.902 13.713 -14.043 1.00 0.00 H ATOM 812 N GLY A 141 -14.508 15.084 -11.254 1.00 21.82 N ATOM 813 CA GLY A 141 -14.022 15.158 -9.893 1.00 22.56 C ATOM 814 C GLY A 141 -13.463 13.827 -9.424 1.00 24.91 C ATOM 815 O GLY A 141 -13.641 12.782 -10.048 1.00 25.52 O ATOM 816 H GLY A 141 -13.823 14.930 -12.021 1.00 0.00 H ATOM 817 N VAL A 142 -12.772 13.892 -8.292 1.00 21.07 N ATOM 818 CA VAL A 142 -12.118 12.732 -7.698 1.00 17.68 C ATOM 819 C VAL A 142 -13.019 12.135 -6.626 1.00 17.03 C ATOM 820 O VAL A 142 -13.637 12.864 -5.840 1.00 17.54 O ATOM 821 CB VAL A 142 -10.747 13.119 -7.108 1.00 19.97 C ATOM 822 CG1 VAL A 142 -10.053 11.902 -6.521 1.00 20.59 C ATOM 823 CG2 VAL A 142 -9.878 13.786 -8.164 1.00 29.71 C ATOM 824 H VAL A 142 -12.694 14.809 -7.808 1.00 0.00 H ATOM 825 N ASN A 143 -13.108 10.806 -6.605 1.00 15.13 N ATOM 826 CA ASN A 143 -13.620 10.061 -5.462 1.00 13.79 C ATOM 827 C ASN A 143 -12.815 8.772 -5.360 1.00 12.81 C ATOM 828 O ASN A 143 -12.005 8.464 -6.234 1.00 13.54 O ATOM 829 CB ASN A 143 -15.135 9.798 -5.566 1.00 19.83 C ATOM 830 CG ASN A 143 -15.530 8.984 -6.799 1.00 19.49 C ATOM 831 OD1 ASN A 143 -14.794 8.111 -7.263 1.00 19.58 O ATOM 832 ND2 ASN A 143 -16.720 9.262 -7.320 1.00 24.67 N ATOM 833 HD22 ASN A 143 -17.311 10.007 -6.898 1.00 0.00 H ATOM 834 HD21 ASN A 143 -17.061 8.735 -8.149 1.00 0.00 H ATOM 835 H ASN A 143 -12.798 10.275 -7.444 1.00 0.00 H ATOM 836 N TRP A 144 -13.024 8.022 -4.275 1.00 13.25 N ATOM 837 CA TRP A 144 -12.198 6.836 -4.048 1.00 12.64 C ATOM 838 C TRP A 144 -12.386 5.805 -5.157 1.00 19.81 C ATOM 839 O TRP A 144 -11.431 5.123 -5.551 1.00 12.70 O ATOM 840 CB TRP A 144 -12.514 6.216 -2.684 1.00 13.62 C ATOM 841 CG TRP A 144 -12.042 7.029 -1.508 1.00 18.01 C ATOM 842 CD1 TRP A 144 -12.821 7.627 -0.553 1.00 16.46 C ATOM 843 CD2 TRP A 144 -10.683 7.331 -1.161 1.00 14.36 C ATOM 844 NE1 TRP A 144 -12.028 8.281 0.363 1.00 16.57 N ATOM 845 CE2 TRP A 144 -10.713 8.110 0.014 1.00 15.71 C ATOM 846 CE3 TRP A 144 -9.444 7.010 -1.729 1.00 13.47 C ATOM 847 CZ2 TRP A 144 -9.551 8.581 0.630 1.00 18.37 C ATOM 848 CZ3 TRP A 144 -8.288 7.482 -1.115 1.00 13.98 C ATOM 849 CH2 TRP A 144 -8.352 8.256 0.052 1.00 16.46 C ATOM 850 HE1 TRP A 144 -12.371 8.817 1.186 1.00 0.00 H ATOM 851 H TRP A 144 -13.769 8.279 -3.596 1.00 0.00 H ATOM 852 N GLY A 145 -13.606 5.677 -5.680 1.00 12.35 N ATOM 853 CA GLY A 145 -13.840 4.688 -6.722 1.00 14.28 C ATOM 854 C GLY A 145 -13.116 5.019 -8.012 1.00 13.70 C ATOM 855 O GLY A 145 -12.640 4.121 -8.717 1.00 13.08 O ATOM 856 H GLY A 145 -14.385 6.280 -5.346 1.00 0.00 H ATOM 857 N ARG A 146 -13.018 6.306 -8.338 1.00 11.62 N ATOM 858 CA ARG A 146 -12.258 6.698 -9.518 1.00 12.26 C ATOM 859 C ARG A 146 -10.766 6.491 -9.311 1.00 13.52 C ATOM 860 O ARG A 146 -10.047 6.193 -10.273 1.00 10.77 O ATOM 861 CB ARG A 146 -12.571 8.147 -9.882 1.00 11.12 C ATOM 862 CG ARG A 146 -13.963 8.278 -10.506 1.00 12.05 C ATOM 863 CD ARG A 146 -14.463 9.703 -10.587 1.00 19.06 C ATOM 864 NE ARG A 146 -15.829 9.719 -11.118 1.00 24.44 N ATOM 865 CZ ARG A 146 -16.678 10.734 -10.996 1.00 37.36 C ATOM 866 NH1 ARG A 146 -17.897 10.646 -11.516 1.00 34.38 N ATOM 867 NH2 ARG A 146 -16.313 11.835 -10.356 1.00 37.84 N ATOM 868 HE ARG A 146 -16.158 8.874 -11.628 1.00 0.00 H ATOM 869 HH12 ARG A 146 -18.562 11.440 -11.421 1.00 0.00 H ATOM 870 HH11 ARG A 146 -18.187 9.783 -12.019 1.00 0.00 H ATOM 871 HH22 ARG A 146 -16.980 12.627 -10.262 1.00 0.00 H ATOM 872 HH21 ARG A 146 -15.359 11.907 -9.947 1.00 0.00 H ATOM 873 H ARG A 146 -13.482 7.029 -7.752 1.00 0.00 H ATOM 874 N ILE A 147 -10.287 6.623 -8.071 1.00 9.94 N ATOM 875 CA ILE A 147 -8.884 6.303 -7.789 1.00 9.53 C ATOM 876 C ILE A 147 -8.637 4.808 -7.950 1.00 11.19 C ATOM 877 O ILE A 147 -7.626 4.395 -8.530 1.00 10.82 O ATOM 878 CB ILE A 147 -8.494 6.810 -6.392 1.00 12.91 C ATOM 879 CG1 ILE A 147 -8.521 8.341 -6.364 1.00 13.12 C ATOM 880 CG2 ILE A 147 -7.108 6.299 -5.991 1.00 12.15 C ATOM 881 CD1 ILE A 147 -8.223 8.933 -5.003 1.00 17.15 C ATOM 882 H ILE A 147 -10.909 6.953 -7.306 1.00 0.00 H ATOM 883 N VAL A 148 -9.553 3.965 -7.459 1.00 10.78 N ATOM 884 CA VAL A 148 -9.400 2.532 -7.705 1.00 14.28 C ATOM 885 C VAL A 148 -9.390 2.256 -9.203 1.00 14.17 C ATOM 886 O VAL A 148 -8.582 1.458 -9.699 1.00 11.94 O ATOM 887 CB VAL A 148 -10.500 1.728 -6.987 1.00 11.44 C ATOM 888 CG1 VAL A 148 -10.399 0.242 -7.354 1.00 11.23 C ATOM 889 CG2 VAL A 148 -10.397 1.908 -5.480 1.00 10.96 C ATOM 890 H VAL A 148 -10.361 4.324 -6.911 1.00 0.00 H ATOM 891 N ALA A 149 -10.258 2.936 -9.952 1.00 9.22 N ATOM 892 CA ALA A 149 -10.279 2.755 -11.401 1.00 9.59 C ATOM 893 C ALA A 149 -8.961 3.196 -12.026 1.00 12.12 C ATOM 894 O ALA A 149 -8.497 2.597 -13.004 1.00 13.11 O ATOM 895 CB ALA A 149 -11.449 3.526 -12.010 1.00 11.55 C ATOM 896 H ALA A 149 -10.923 3.598 -9.503 1.00 0.00 H ATOM 897 N PHE A 150 -8.352 4.246 -11.470 1.00 11.06 N ATOM 898 CA PHE A 150 -7.051 4.709 -11.941 1.00 12.97 C ATOM 899 C PHE A 150 -5.996 3.629 -11.758 1.00 14.38 C ATOM 900 O PHE A 150 -5.175 3.389 -12.654 1.00 11.50 O ATOM 901 CB PHE A 150 -6.693 5.997 -11.191 1.00 10.00 C ATOM 902 CG PHE A 150 -5.229 6.350 -11.200 1.00 11.47 C ATOM 903 CD1 PHE A 150 -4.688 7.096 -12.232 1.00 15.54 C ATOM 904 CD2 PHE A 150 -4.414 5.988 -10.140 1.00 12.15 C ATOM 905 CE1 PHE A 150 -3.351 7.443 -12.225 1.00 16.29 C ATOM 906 CE2 PHE A 150 -3.073 6.331 -10.127 1.00 16.21 C ATOM 907 CZ PHE A 150 -2.545 7.061 -11.170 1.00 12.55 C ATOM 908 H PHE A 150 -8.815 4.745 -10.684 1.00 0.00 H ATOM 909 N PHE A 151 -6.018 2.943 -10.613 1.00 9.18 N ATOM 910 CA PHE A 151 -5.082 1.840 -10.406 1.00 11.85 C ATOM 911 C PHE A 151 -5.357 0.702 -11.380 1.00 13.41 C ATOM 912 O PHE A 151 -4.431 0.158 -11.991 1.00 12.37 O ATOM 913 CB PHE A 151 -5.146 1.355 -8.955 1.00 8.85 C ATOM 914 CG PHE A 151 -4.306 2.176 -8.008 1.00 11.13 C ATOM 915 CD1 PHE A 151 -4.853 3.256 -7.336 1.00 12.24 C ATOM 916 CD2 PHE A 151 -2.959 1.879 -7.811 1.00 11.91 C ATOM 917 CE1 PHE A 151 -4.083 4.017 -6.466 1.00 11.06 C ATOM 918 CE2 PHE A 151 -2.182 2.631 -6.945 1.00 10.94 C ATOM 919 CZ PHE A 151 -2.741 3.706 -6.274 1.00 11.94 C ATOM 920 H PHE A 151 -6.700 3.193 -9.869 1.00 0.00 H ATOM 921 N GLU A 152 -6.631 0.331 -11.551 1.00 9.48 N ATOM 922 CA GLU A 152 -6.958 -0.750 -12.478 1.00 9.35 C ATOM 923 C GLU A 152 -6.556 -0.396 -13.904 1.00 13.62 C ATOM 924 O GLU A 152 -6.084 -1.257 -14.662 1.00 11.38 O ATOM 925 CB GLU A 152 -8.453 -1.073 -12.397 1.00 14.90 C ATOM 926 CG GLU A 152 -8.820 -1.923 -11.193 1.00 15.44 C ATOM 927 CD GLU A 152 -8.206 -3.307 -11.264 1.00 19.49 C ATOM 928 OE1 GLU A 152 -8.361 -3.982 -12.306 1.00 16.69 O ATOM 929 OE2 GLU A 152 -7.543 -3.703 -10.283 1.00 22.17 O ATOM 930 H GLU A 152 -7.388 0.812 -11.024 1.00 0.00 H ATOM 931 N PHE A 153 -6.723 0.867 -14.286 1.00 12.02 N ATOM 932 CA PHE A 153 -6.321 1.279 -15.624 1.00 12.54 C ATOM 933 C PHE A 153 -4.812 1.172 -15.798 1.00 10.46 C ATOM 934 O PHE A 153 -4.332 0.702 -16.837 1.00 13.43 O ATOM 935 CB PHE A 153 -6.799 2.702 -15.896 1.00 10.38 C ATOM 936 CG PHE A 153 -6.268 3.269 -17.167 1.00 11.95 C ATOM 937 CD1 PHE A 153 -6.617 2.714 -18.386 1.00 13.27 C ATOM 938 CD2 PHE A 153 -5.401 4.351 -17.145 1.00 20.90 C ATOM 939 CE1 PHE A 153 -6.120 3.231 -19.565 1.00 19.18 C ATOM 940 CE2 PHE A 153 -4.899 4.877 -18.323 1.00 21.35 C ATOM 941 CZ PHE A 153 -5.253 4.312 -19.534 1.00 16.82 C ATOM 942 H PHE A 153 -7.140 1.559 -13.631 1.00 0.00 H ATOM 943 N GLY A 154 -4.051 1.606 -14.795 1.00 10.52 N ATOM 944 CA GLY A 154 -2.612 1.392 -14.833 1.00 10.89 C ATOM 945 C GLY A 154 -2.259 -0.069 -15.019 1.00 13.29 C ATOM 946 O GLY A 154 -1.382 -0.410 -15.815 1.00 14.03 O ATOM 947 H GLY A 154 -4.484 2.097 -13.987 1.00 0.00 H ATOM 948 N GLY A 155 -2.955 -0.955 -14.304 1.00 11.81 N ATOM 949 CA GLY A 155 -2.754 -2.384 -14.506 1.00 13.04 C ATOM 950 C GLY A 155 -3.035 -2.823 -15.933 1.00 13.71 C ATOM 951 O GLY A 155 -2.270 -3.593 -16.515 1.00 14.44 O ATOM 952 H GLY A 155 -3.644 -0.624 -13.599 1.00 0.00 H ATOM 953 N VAL A 156 -4.123 -2.320 -16.523 1.00 12.59 N ATOM 954 CA VAL A 156 -4.447 -2.653 -17.908 1.00 13.29 C ATOM 955 C VAL A 156 -3.380 -2.119 -18.855 1.00 16.59 C ATOM 956 O VAL A 156 -2.974 -2.804 -19.806 1.00 14.43 O ATOM 957 CB VAL A 156 -5.845 -2.113 -18.267 1.00 18.61 C ATOM 958 CG1 VAL A 156 -6.038 -2.085 -19.779 1.00 16.88 C ATOM 959 CG2 VAL A 156 -6.905 -2.967 -17.614 1.00 19.64 C ATOM 960 H VAL A 156 -4.748 -1.683 -15.989 1.00 0.00 H ATOM 961 N MET A 157 -2.905 -0.894 -18.612 1.00 11.57 N ATOM 962 CA MET A 157 -1.827 -0.339 -19.426 1.00 11.35 C ATOM 963 C MET A 157 -0.589 -1.226 -19.383 1.00 15.64 C ATOM 964 O MET A 157 0.065 -1.438 -20.409 1.00 12.80 O ATOM 965 CB MET A 157 -1.471 1.068 -18.952 1.00 15.62 C ATOM 966 CG MET A 157 -2.534 2.115 -19.228 1.00 16.06 C ATOM 967 SD MET A 157 -2.304 2.831 -20.865 1.00 23.94 S ATOM 968 CE MET A 157 -0.629 3.452 -20.719 1.00 20.04 C ATOM 969 H MET A 157 -3.307 -0.330 -17.836 1.00 0.00 H ATOM 970 N CYS A 158 -0.242 -1.734 -18.199 1.00 14.09 N ATOM 971 CA CYS A 158 0.950 -2.572 -18.084 1.00 11.97 C ATOM 972 C CYS A 158 0.760 -3.903 -18.794 1.00 12.83 C ATOM 973 O CYS A 158 1.671 -4.385 -19.482 1.00 13.86 O ATOM 974 CB CYS A 158 1.286 -2.791 -16.613 1.00 14.21 C ATOM 975 SG CYS A 158 1.816 -1.273 -15.799 1.00 15.83 S ATOM 976 H CYS A 158 -0.820 -1.534 -17.358 1.00 0.00 H ATOM 977 N VAL A 159 -0.411 -4.520 -18.632 1.00 12.66 N ATOM 978 CA VAL A 159 -0.668 -5.798 -19.292 1.00 13.74 C ATOM 979 C VAL A 159 -0.593 -5.635 -20.802 1.00 14.52 C ATOM 980 O VAL A 159 0.037 -6.432 -21.503 1.00 15.75 O ATOM 981 CB VAL A 159 -2.032 -6.356 -18.853 1.00 15.87 C ATOM 982 CG1 VAL A 159 -2.509 -7.422 -19.838 1.00 20.59 C ATOM 983 CG2 VAL A 159 -1.928 -6.922 -17.443 1.00 15.93 C ATOM 984 H VAL A 159 -1.145 -4.090 -18.033 1.00 0.00 H ATOM 985 N GLU A 160 -1.228 -4.591 -21.325 1.00 16.16 N ATOM 986 CA GLU A 160 -1.221 -4.424 -22.769 1.00 17.52 C ATOM 987 C GLU A 160 0.170 -4.065 -23.277 1.00 15.67 C ATOM 988 O GLU A 160 0.537 -4.467 -24.384 1.00 21.15 O ATOM 989 CB GLU A 160 -2.268 -3.389 -23.177 1.00 18.49 C ATOM 990 CG GLU A 160 -3.706 -3.818 -22.826 1.00 23.87 C ATOM 991 CD GLU A 160 -4.059 -5.235 -23.301 1.00 35.23 C ATOM 992 OE1 GLU A 160 -3.649 -5.628 -24.415 1.00 35.95 O ATOM 993 OE2 GLU A 160 -4.755 -5.959 -22.553 1.00 37.92 O ATOM 994 H GLU A 160 -1.720 -3.908 -20.714 1.00 0.00 H ATOM 995 N SER A 161 0.972 -3.362 -22.468 1.00 16.21 N ATOM 996 CA SER A 161 2.356 -3.090 -22.853 1.00 15.77 C ATOM 997 C SER A 161 3.117 -4.384 -23.116 1.00 17.04 C ATOM 998 O SER A 161 3.822 -4.508 -24.125 1.00 18.40 O ATOM 999 CB SER A 161 3.056 -2.266 -21.770 1.00 15.02 C ATOM 1000 OG SER A 161 2.536 -0.945 -21.706 1.00 17.14 O ATOM 1001 HG SER A 161 1.569 -0.982 -21.497 1.00 0.00 H ATOM 1002 H SER A 161 0.609 -3.007 -21.560 1.00 0.00 H ATOM 1003 N VAL A 162 2.982 -5.369 -22.222 1.00 16.85 N ATOM 1004 CA VAL A 162 3.659 -6.646 -22.444 1.00 23.25 C ATOM 1005 C VAL A 162 3.059 -7.364 -23.645 1.00 19.44 C ATOM 1006 O VAL A 162 3.782 -7.964 -24.445 1.00 21.05 O ATOM 1007 CB VAL A 162 3.610 -7.526 -21.181 1.00 20.18 C ATOM 1008 CG1 VAL A 162 4.376 -8.826 -21.419 1.00 19.89 C ATOM 1009 CG2 VAL A 162 4.183 -6.781 -19.990 1.00 17.23 C ATOM 1010 H VAL A 162 2.398 -5.228 -21.373 1.00 0.00 H ATOM 1011 N ASN A 163 1.729 -7.314 -23.796 1.00 18.87 N ATOM 1012 CA ASN A 163 1.107 -7.961 -24.946 1.00 23.60 C ATOM 1013 C ASN A 163 1.627 -7.391 -26.258 1.00 24.11 C ATOM 1014 O ASN A 163 1.713 -8.116 -27.257 1.00 27.57 O ATOM 1015 CB ASN A 163 -0.417 -7.834 -24.881 1.00 21.49 C ATOM 1016 CG ASN A 163 -1.035 -8.709 -23.804 1.00 23.77 C ATOM 1017 OD1 ASN A 163 -0.453 -9.713 -23.391 1.00 24.04 O ATOM 1018 ND2 ASN A 163 -2.233 -8.338 -23.354 1.00 21.19 N ATOM 1019 HD22 ASN A 163 -2.688 -7.482 -23.731 1.00 0.00 H ATOM 1020 HD21 ASN A 163 -2.713 -8.904 -22.626 1.00 0.00 H ATOM 1021 H ASN A 163 1.142 -6.816 -23.096 1.00 0.00 H ATOM 1022 N ARG A 164 1.995 -6.111 -26.281 1.00 19.22 N ATOM 1023 CA ARG A 164 2.556 -5.511 -27.484 1.00 26.15 C ATOM 1024 C ARG A 164 4.080 -5.563 -27.510 1.00 28.32 C ATOM 1025 O ARG A 164 4.698 -4.836 -28.295 1.00 25.47 O ATOM 1026 CB ARG A 164 2.078 -4.065 -27.636 1.00 30.73 C ATOM 1027 CG ARG A 164 0.619 -3.835 -27.286 1.00 46.81 C ATOM 1028 CD ARG A 164 -0.106 -3.057 -28.359 1.00 63.04 C ATOM 1029 NE ARG A 164 -0.748 -3.953 -29.312 1.00 77.03 N ATOM 1030 CZ ARG A 164 -1.344 -3.553 -30.430 1.00 83.47 C ATOM 1031 NH1 ARG A 164 -1.375 -2.265 -30.744 1.00 83.29 N ATOM 1032 NH2 ARG A 164 -1.903 -4.444 -31.235 1.00 87.13 N ATOM 1033 HE ARG A 164 -0.739 -4.972 -29.103 1.00 0.00 H ATOM 1034 HH12 ARG A 164 -1.842 -1.954 -31.620 1.00 0.00 H ATOM 1035 HH11 ARG A 164 -0.932 -1.566 -30.115 1.00 0.00 H ATOM 1036 HH22 ARG A 164 -2.370 -4.133 -32.111 1.00 0.00 H ATOM 1037 HH21 ARG A 164 -1.875 -5.455 -30.991 1.00 0.00 H ATOM 1038 H ARG A 164 1.880 -5.530 -25.426 1.00 0.00 H ATOM 1039 N GLU A 165 4.691 -6.401 -26.665 1.00 22.86 N ATOM 1040 CA GLU A 165 6.144 -6.600 -26.642 1.00 20.27 C ATOM 1041 C GLU A 165 6.882 -5.310 -26.303 1.00 21.36 C ATOM 1042 O GLU A 165 7.912 -4.977 -26.897 1.00 25.44 O ATOM 1043 CB GLU A 165 6.635 -7.189 -27.960 1.00 24.68 C ATOM 1044 CG GLU A 165 6.162 -8.605 -28.157 1.00 23.04 C ATOM 1045 CD GLU A 165 6.439 -9.117 -29.543 1.00 36.39 C ATOM 1046 OE1 GLU A 165 5.462 -9.423 -30.252 1.00 38.11 O ATOM 1047 OE2 GLU A 165 7.627 -9.205 -29.923 1.00 32.94 O ATOM 1048 H GLU A 165 4.107 -6.937 -25.992 1.00 0.00 H ATOM 1049 N MET A 166 6.346 -4.580 -25.335 1.00 20.83 N ATOM 1050 CA MET A 166 6.924 -3.337 -24.853 1.00 25.55 C ATOM 1051 C MET A 166 6.999 -3.352 -23.336 1.00 21.55 C ATOM 1052 O MET A 166 6.581 -2.413 -22.660 1.00 19.22 O ATOM 1053 CB MET A 166 6.108 -2.150 -25.337 1.00 28.59 C ATOM 1054 CG MET A 166 6.014 -2.055 -26.837 1.00 40.77 C ATOM 1055 SD MET A 166 5.125 -0.575 -27.321 1.00 49.98 S ATOM 1056 CE MET A 166 3.462 -1.013 -26.860 1.00 42.46 C ATOM 1057 H MET A 166 5.464 -4.915 -24.897 1.00 0.00 H ATOM 1058 N SER A 167 7.538 -4.436 -22.783 1.00 23.84 N ATOM 1059 CA SER A 167 7.695 -4.541 -21.333 1.00 21.78 C ATOM 1060 C SER A 167 8.387 -3.349 -20.675 1.00 15.45 C ATOM 1061 O SER A 167 8.010 -3.011 -19.541 1.00 19.34 O ATOM 1062 CB SER A 167 8.453 -5.829 -20.982 1.00 32.57 C ATOM 1063 OG SER A 167 7.591 -6.947 -21.041 1.00 29.43 O ATOM 1064 HG SER A 167 8.098 -7.766 -20.812 1.00 0.00 H ATOM 1065 H SER A 167 7.852 -5.219 -23.391 1.00 0.00 H ATOM 1066 N PRO A 168 9.387 -2.696 -21.283 1.00 19.47 N ATOM 1067 CA PRO A 168 9.987 -1.531 -20.612 1.00 22.71 C ATOM 1068 C PRO A 168 8.980 -0.458 -20.251 1.00 19.17 C ATOM 1069 O PRO A 168 9.203 0.280 -19.282 1.00 21.29 O ATOM 1070 CB PRO A 168 11.008 -1.027 -21.638 1.00 24.18 C ATOM 1071 CG PRO A 168 11.419 -2.248 -22.361 1.00 29.70 C ATOM 1072 CD PRO A 168 10.178 -3.089 -22.470 1.00 23.44 C ATOM 1073 N LEU A 169 7.871 -0.360 -20.990 1.00 14.44 N ATOM 1074 CA LEU A 169 6.858 0.644 -20.674 1.00 14.86 C ATOM 1075 C LEU A 169 6.275 0.458 -19.283 1.00 19.15 C ATOM 1076 O LEU A 169 5.761 1.420 -18.705 1.00 14.46 O ATOM 1077 CB LEU A 169 5.724 0.608 -21.699 1.00 21.38 C ATOM 1078 CG LEU A 169 5.927 1.310 -23.037 1.00 29.24 C ATOM 1079 CD1 LEU A 169 4.650 1.200 -23.852 1.00 30.38 C ATOM 1080 CD2 LEU A 169 6.301 2.765 -22.816 1.00 31.52 C ATOM 1081 H LEU A 169 7.728 -1.003 -21.795 1.00 0.00 H ATOM 1082 N VAL A 170 6.298 -0.766 -18.743 1.00 14.14 N ATOM 1083 CA VAL A 170 5.747 -0.975 -17.405 1.00 12.25 C ATOM 1084 C VAL A 170 6.443 -0.066 -16.403 1.00 15.41 C ATOM 1085 O VAL A 170 5.799 0.528 -15.527 1.00 13.04 O ATOM 1086 CB VAL A 170 5.853 -2.457 -16.992 1.00 12.56 C ATOM 1087 CG1 VAL A 170 5.311 -2.644 -15.583 1.00 12.16 C ATOM 1088 CG2 VAL A 170 5.095 -3.345 -17.974 1.00 13.44 C ATOM 1089 H VAL A 170 6.705 -1.564 -19.272 1.00 0.00 H ATOM 1090 N ASP A 171 7.767 0.073 -16.529 1.00 14.05 N ATOM 1091 CA ASP A 171 8.501 0.958 -15.629 1.00 13.49 C ATOM 1092 C ASP A 171 8.046 2.402 -15.784 1.00 13.61 C ATOM 1093 O ASP A 171 7.945 3.137 -14.794 1.00 13.62 O ATOM 1094 CB ASP A 171 10.007 0.846 -15.886 1.00 14.49 C ATOM 1095 CG ASP A 171 10.550 -0.542 -15.611 1.00 18.14 C ATOM 1096 OD1 ASP A 171 11.236 -1.103 -16.496 1.00 26.74 O ATOM 1097 OD2 ASP A 171 10.290 -1.072 -14.511 1.00 20.80 O ATOM 1098 H ASP A 171 8.275 -0.451 -17.270 1.00 0.00 H ATOM 1099 N ASN A 172 7.774 2.831 -17.019 1.00 13.95 N ATOM 1100 CA ASN A 172 7.311 4.204 -17.229 1.00 13.06 C ATOM 1101 C ASN A 172 5.915 4.408 -16.666 1.00 12.14 C ATOM 1102 O ASN A 172 5.641 5.430 -16.030 1.00 13.33 O ATOM 1103 CB ASN A 172 7.330 4.547 -18.716 1.00 16.73 C ATOM 1104 CG ASN A 172 8.718 4.488 -19.302 1.00 24.65 C ATOM 1105 OD1 ASN A 172 9.153 3.445 -19.778 1.00 30.60 O ATOM 1106 ND2 ASN A 172 9.428 5.609 -19.257 1.00 27.73 N ATOM 1107 HD22 ASN A 172 9.016 6.469 -18.843 1.00 0.00 H ATOM 1108 HD21 ASN A 172 10.396 5.627 -19.636 1.00 0.00 H ATOM 1109 H ASN A 172 7.891 2.191 -17.830 1.00 0.00 H ATOM 1110 N ILE A 173 5.016 3.454 -16.909 1.00 12.46 N ATOM 1111 CA ILE A 173 3.652 3.568 -16.401 1.00 10.90 C ATOM 1112 C ILE A 173 3.656 3.646 -14.882 1.00 12.03 C ATOM 1113 O ILE A 173 2.954 4.476 -14.287 1.00 12.57 O ATOM 1114 CB ILE A 173 2.796 2.391 -16.911 1.00 10.68 C ATOM 1115 CG1 ILE A 173 2.590 2.495 -18.424 1.00 16.33 C ATOM 1116 CG2 ILE A 173 1.452 2.359 -16.188 1.00 11.84 C ATOM 1117 CD1 ILE A 173 2.217 1.163 -19.082 1.00 16.45 C ATOM 1118 H ILE A 173 5.289 2.620 -17.466 1.00 0.00 H ATOM 1119 N ALA A 174 4.454 2.791 -14.231 1.00 11.92 N ATOM 1120 CA ALA A 174 4.566 2.845 -12.777 1.00 12.67 C ATOM 1121 C ALA A 174 5.051 4.212 -12.318 1.00 12.43 C ATOM 1122 O ALA A 174 4.569 4.747 -11.314 1.00 12.11 O ATOM 1123 CB ALA A 174 5.510 1.748 -12.279 1.00 12.88 C ATOM 1124 H ALA A 174 4.998 2.083 -14.765 1.00 0.00 H ATOM 1125 N LEU A 175 6.007 4.791 -13.046 1.00 12.70 N ATOM 1126 CA LEU A 175 6.459 6.146 -12.738 1.00 13.22 C ATOM 1127 C LEU A 175 5.328 7.156 -12.898 1.00 14.39 C ATOM 1128 O LEU A 175 5.115 8.010 -12.032 1.00 16.17 O ATOM 1129 CB LEU A 175 7.643 6.510 -13.632 1.00 13.33 C ATOM 1130 CG LEU A 175 8.228 7.895 -13.380 1.00 19.30 C ATOM 1131 CD1 LEU A 175 8.523 8.052 -11.894 1.00 26.50 C ATOM 1132 CD2 LEU A 175 9.494 8.074 -14.207 1.00 25.13 C ATOM 1133 H LEU A 175 6.435 4.273 -13.840 1.00 0.00 H ATOM 1134 N TRP A 176 4.594 7.088 -14.010 1.00 11.61 N ATOM 1135 CA TRP A 176 3.514 8.054 -14.210 1.00 11.45 C ATOM 1136 C TRP A 176 2.456 7.925 -13.125 1.00 10.75 C ATOM 1137 O TRP A 176 1.922 8.934 -12.651 1.00 13.23 O ATOM 1138 CB TRP A 176 2.879 7.880 -15.588 1.00 13.44 C ATOM 1139 CG TRP A 176 3.856 7.931 -16.719 1.00 12.22 C ATOM 1140 CD1 TRP A 176 5.058 8.585 -16.750 1.00 15.92 C ATOM 1141 CD2 TRP A 176 3.715 7.290 -17.988 1.00 14.52 C ATOM 1142 NE1 TRP A 176 5.673 8.386 -17.966 1.00 18.55 N ATOM 1143 CE2 TRP A 176 4.870 7.590 -18.740 1.00 19.13 C ATOM 1144 CE3 TRP A 176 2.727 6.484 -18.559 1.00 16.68 C ATOM 1145 CZ2 TRP A 176 5.059 7.115 -20.036 1.00 20.22 C ATOM 1146 CZ3 TRP A 176 2.918 6.009 -19.840 1.00 18.22 C ATOM 1147 CH2 TRP A 176 4.073 6.327 -20.565 1.00 17.52 C ATOM 1148 HE1 TRP A 176 6.595 8.775 -18.250 1.00 0.00 H ATOM 1149 H TRP A 176 4.787 6.358 -14.725 1.00 0.00 H ATOM 1150 N MET A 177 2.139 6.694 -12.712 1.00 10.71 N ATOM 1151 CA MET A 177 1.141 6.515 -11.659 1.00 9.69 C ATOM 1152 C MET A 177 1.627 7.099 -10.341 1.00 12.75 C ATOM 1153 O MET A 177 0.859 7.750 -9.622 1.00 11.74 O ATOM 1154 CB MET A 177 0.815 5.034 -11.482 1.00 10.07 C ATOM 1155 CG MET A 177 0.106 4.405 -12.666 1.00 13.67 C ATOM 1156 SD MET A 177 -0.049 2.621 -12.435 1.00 13.34 S ATOM 1157 CE MET A 177 -1.277 2.558 -11.126 1.00 11.90 C ATOM 1158 H MET A 177 2.601 5.866 -13.139 1.00 0.00 H ATOM 1159 N THR A 178 2.894 6.858 -10.012 1.00 12.63 N ATOM 1160 CA THR A 178 3.452 7.368 -8.770 1.00 11.18 C ATOM 1161 C THR A 178 3.447 8.887 -8.751 1.00 15.23 C ATOM 1162 O THR A 178 3.065 9.501 -7.749 1.00 16.39 O ATOM 1163 CB THR A 178 4.873 6.829 -8.589 1.00 11.96 C ATOM 1164 OG1 THR A 178 4.831 5.395 -8.565 1.00 11.65 O ATOM 1165 CG2 THR A 178 5.477 7.334 -7.291 1.00 18.33 C ATOM 1166 HG1 THR A 178 4.454 5.063 -9.418 1.00 0.00 H ATOM 1167 H THR A 178 3.493 6.298 -10.652 1.00 0.00 H ATOM 1168 N GLU A 179 3.857 9.520 -9.850 1.00 14.25 N ATOM 1169 CA GLU A 179 3.886 10.976 -9.827 1.00 19.00 C ATOM 1170 C GLU A 179 2.482 11.558 -9.854 1.00 18.93 C ATOM 1171 O GLU A 179 2.257 12.645 -9.319 1.00 15.08 O ATOM 1172 CB GLU A 179 4.738 11.517 -10.975 1.00 27.42 C ATOM 1173 CG GLU A 179 6.247 11.266 -10.803 1.00 33.01 C ATOM 1174 CD GLU A 179 6.823 11.733 -9.450 1.00 38.32 C ATOM 1175 OE1 GLU A 179 6.464 12.823 -8.953 1.00 33.50 O ATOM 1176 OE2 GLU A 179 7.655 10.996 -8.879 1.00 47.05 O ATOM 1177 H GLU A 179 4.147 8.991 -10.697 1.00 0.00 H ATOM 1178 N TYR A 180 1.516 10.841 -10.434 1.00 11.97 N ATOM 1179 CA TYR A 180 0.136 11.303 -10.385 1.00 13.07 C ATOM 1180 C TYR A 180 -0.378 11.324 -8.950 1.00 14.74 C ATOM 1181 O TYR A 180 -1.046 12.277 -8.533 1.00 16.08 O ATOM 1182 CB TYR A 180 -0.740 10.412 -11.259 1.00 18.52 C ATOM 1183 CG TYR A 180 -2.058 11.040 -11.576 1.00 21.26 C ATOM 1184 CD1 TYR A 180 -2.146 12.081 -12.484 1.00 26.91 C ATOM 1185 CD2 TYR A 180 -3.217 10.602 -10.963 1.00 21.97 C ATOM 1186 CE1 TYR A 180 -3.354 12.665 -12.779 1.00 35.28 C ATOM 1187 CE2 TYR A 180 -4.429 11.177 -11.247 1.00 30.12 C ATOM 1188 CZ TYR A 180 -4.496 12.210 -12.150 1.00 33.95 C ATOM 1189 OH TYR A 180 -5.721 12.776 -12.424 1.00 29.75 O ATOM 1190 HH TYR A 180 -5.607 13.501 -13.088 1.00 0.00 H ATOM 1191 H TYR A 180 1.750 9.952 -10.921 1.00 0.00 H ATOM 1192 N LEU A 181 -0.066 10.280 -8.179 1.00 13.32 N ATOM 1193 CA LEU A 181 -0.408 10.273 -6.763 1.00 10.71 C ATOM 1194 C LEU A 181 0.350 11.351 -6.003 1.00 14.99 C ATOM 1195 O LEU A 181 -0.226 12.025 -5.140 1.00 15.08 O ATOM 1196 CB LEU A 181 -0.103 8.903 -6.166 1.00 11.69 C ATOM 1197 CG LEU A 181 -0.974 7.778 -6.704 1.00 15.56 C ATOM 1198 CD1 LEU A 181 -0.373 6.424 -6.368 1.00 20.17 C ATOM 1199 CD2 LEU A 181 -2.354 7.903 -6.100 1.00 16.07 C ATOM 1200 H LEU A 181 0.426 9.463 -8.594 1.00 0.00 H ATOM 1201 N ASN A 182 1.641 11.522 -6.312 1.00 12.77 N ATOM 1202 CA ASN A 182 2.498 12.424 -5.545 1.00 15.55 C ATOM 1203 C ASN A 182 2.126 13.886 -5.738 1.00 15.17 C ATOM 1204 O ASN A 182 2.349 14.701 -4.834 1.00 15.21 O ATOM 1205 CB ASN A 182 3.959 12.250 -5.955 1.00 14.32 C ATOM 1206 CG ASN A 182 4.571 10.971 -5.432 1.00 17.01 C ATOM 1207 OD1 ASN A 182 4.067 10.369 -4.488 1.00 16.92 O ATOM 1208 ND2 ASN A 182 5.684 10.562 -6.035 1.00 19.18 N ATOM 1209 HD22 ASN A 182 6.074 11.105 -6.831 1.00 0.00 H ATOM 1210 HD21 ASN A 182 6.164 9.699 -5.710 1.00 0.00 H ATOM 1211 H ASN A 182 2.044 11.001 -7.117 1.00 0.00 H ATOM 1212 N ARG A 183 1.623 14.244 -6.910 1.00 13.93 N ATOM 1213 CA ARG A 183 1.463 15.645 -7.277 1.00 14.84 C ATOM 1214 C ARG A 183 0.039 16.020 -7.625 1.00 25.27 C ATOM 1215 O ARG A 183 -0.426 17.088 -7.218 1.00 30.92 O ATOM 1216 CB ARG A 183 2.353 15.988 -8.475 1.00 16.03 C ATOM 1217 CG ARG A 183 3.833 15.749 -8.254 1.00 22.56 C ATOM 1218 CD ARG A 183 4.566 15.804 -9.575 1.00 27.38 C ATOM 1219 NE ARG A 183 6.011 15.731 -9.407 1.00 35.62 N ATOM 1220 CZ ARG A 183 6.821 16.783 -9.456 1.00 41.63 C ATOM 1221 NH1 ARG A 183 6.332 17.995 -9.675 1.00 44.53 N ATOM 1222 NH2 ARG A 183 8.125 16.618 -9.294 1.00 43.88 N ATOM 1223 HE ARG A 183 6.435 14.797 -9.238 1.00 0.00 H ATOM 1224 HH12 ARG A 183 6.971 18.815 -9.712 1.00 0.00 H ATOM 1225 HH11 ARG A 183 5.309 18.127 -9.810 1.00 0.00 H ATOM 1226 HH22 ARG A 183 8.762 17.439 -9.332 1.00 0.00 H ATOM 1227 HH21 ARG A 183 8.512 15.667 -9.129 1.00 0.00 H ATOM 1228 H ARG A 183 1.335 13.507 -7.585 1.00 0.00 H ATOM 1229 N HIS A 184 -0.663 15.174 -8.388 1.00 15.97 N ATOM 1230 CA HIS A 184 -1.992 15.521 -8.882 1.00 18.64 C ATOM 1231 C HIS A 184 -3.075 15.191 -7.858 1.00 20.97 C ATOM 1232 O HIS A 184 -3.958 16.014 -7.589 1.00 25.23 O ATOM 1233 CB HIS A 184 -2.278 14.791 -10.200 1.00 20.36 C ATOM 1234 CG HIS A 184 -1.334 15.131 -11.314 1.00 27.58 C ATOM 1235 ND1 HIS A 184 0.036 15.049 -11.187 1.00 30.80 N ATOM 1236 CD2 HIS A 184 -1.569 15.524 -12.588 1.00 34.42 C ATOM 1237 CE1 HIS A 184 0.604 15.392 -12.329 1.00 35.35 C ATOM 1238 NE2 HIS A 184 -0.348 15.683 -13.197 1.00 31.85 N ATOM 1239 H HIS A 184 -0.253 14.250 -8.634 1.00 0.00 H ATOM 1240 N LEU A 185 -3.038 13.983 -7.294 1.00 15.16 N ATOM 1241 CA LEU A 185 -4.071 13.505 -6.377 1.00 17.29 C ATOM 1242 C LEU A 185 -3.722 13.714 -4.912 1.00 18.09 C ATOM 1243 O LEU A 185 -4.548 13.404 -4.046 1.00 16.06 O ATOM 1244 CB LEU A 185 -4.339 12.015 -6.603 1.00 10.48 C ATOM 1245 CG LEU A 185 -4.922 11.555 -7.932 1.00 13.30 C ATOM 1246 CD1 LEU A 185 -4.903 10.031 -7.985 1.00 17.05 C ATOM 1247 CD2 LEU A 185 -6.334 12.080 -8.113 1.00 19.59 C ATOM 1248 H LEU A 185 -2.240 13.354 -7.516 1.00 0.00 H ATOM 1249 N HIS A 186 -2.530 14.233 -4.616 1.00 14.07 N ATOM 1250 CA HIS A 186 -2.020 14.189 -3.250 1.00 18.75 C ATOM 1251 C HIS A 186 -2.898 14.985 -2.297 1.00 13.65 C ATOM 1252 O HIS A 186 -3.227 14.518 -1.200 1.00 16.11 O ATOM 1253 CB HIS A 186 -0.591 14.716 -3.205 1.00 18.75 C ATOM 1254 CG HIS A 186 -0.045 14.819 -1.817 1.00 23.17 C ATOM 1255 ND1 HIS A 186 0.423 13.726 -1.121 1.00 29.58 N ATOM 1256 CD2 HIS A 186 0.078 15.879 -0.983 1.00 26.90 C ATOM 1257 CE1 HIS A 186 0.827 14.110 0.076 1.00 31.13 C ATOM 1258 NE2 HIS A 186 0.630 15.412 0.185 1.00 27.47 N ATOM 1259 H HIS A 186 -1.959 14.673 -5.366 1.00 0.00 H ATOM 1260 N THR A 187 -3.278 16.198 -2.692 1.00 14.25 N ATOM 1261 CA THR A 187 -4.032 17.046 -1.779 1.00 14.99 C ATOM 1262 C THR A 187 -5.428 16.489 -1.541 1.00 17.93 C ATOM 1263 O THR A 187 -5.915 16.497 -0.403 1.00 17.91 O ATOM 1264 CB THR A 187 -4.077 18.474 -2.317 1.00 16.02 C ATOM 1265 OG1 THR A 187 -2.751 19.021 -2.286 1.00 24.51 O ATOM 1266 CG2 THR A 187 -5.002 19.355 -1.470 1.00 17.37 C ATOM 1267 HG1 THR A 187 -2.769 19.948 -2.633 1.00 0.00 H ATOM 1268 H THR A 187 -3.038 16.538 -3.645 1.00 0.00 H ATOM 1269 N TRP A 188 -6.075 15.969 -2.589 1.00 15.80 N ATOM 1270 CA TRP A 188 -7.394 15.369 -2.400 1.00 16.24 C ATOM 1271 C TRP A 188 -7.318 14.183 -1.451 1.00 17.18 C ATOM 1272 O TRP A 188 -8.131 14.057 -0.529 1.00 15.50 O ATOM 1273 CB TRP A 188 -7.992 14.937 -3.737 1.00 14.96 C ATOM 1274 CG TRP A 188 -9.415 14.517 -3.574 1.00 18.31 C ATOM 1275 CD1 TRP A 188 -10.517 15.304 -3.728 1.00 19.23 C ATOM 1276 CD2 TRP A 188 -9.898 13.221 -3.179 1.00 17.81 C ATOM 1277 NE1 TRP A 188 -11.655 14.580 -3.468 1.00 18.75 N ATOM 1278 CE2 TRP A 188 -11.304 13.298 -3.135 1.00 18.03 C ATOM 1279 CE3 TRP A 188 -9.278 12.002 -2.874 1.00 18.60 C ATOM 1280 CZ2 TRP A 188 -12.103 12.209 -2.787 1.00 21.40 C ATOM 1281 CZ3 TRP A 188 -10.076 10.918 -2.528 1.00 15.71 C ATOM 1282 CH2 TRP A 188 -11.471 11.030 -2.488 1.00 17.54 C ATOM 1283 HE1 TRP A 188 -12.627 14.946 -3.516 1.00 0.00 H ATOM 1284 H TRP A 188 -5.642 15.991 -3.534 1.00 0.00 H ATOM 1285 N ILE A 189 -6.339 13.301 -1.657 1.00 16.04 N ATOM 1286 CA ILE A 189 -6.211 12.131 -0.792 1.00 12.54 C ATOM 1287 C ILE A 189 -5.962 12.563 0.649 1.00 14.87 C ATOM 1288 O ILE A 189 -6.603 12.071 1.583 1.00 19.36 O ATOM 1289 CB ILE A 189 -5.099 11.202 -1.312 1.00 12.36 C ATOM 1290 CG1 ILE A 189 -5.551 10.526 -2.612 1.00 14.49 C ATOM 1291 CG2 ILE A 189 -4.740 10.167 -0.257 1.00 16.85 C ATOM 1292 CD1 ILE A 189 -4.434 9.839 -3.373 1.00 19.26 C ATOM 1293 H ILE A 189 -5.665 13.447 -2.436 1.00 0.00 H ATOM 1294 N GLN A 190 -5.039 13.507 0.848 1.00 14.07 N ATOM 1295 CA GLN A 190 -4.729 13.960 2.197 1.00 14.72 C ATOM 1296 C GLN A 190 -5.941 14.607 2.850 1.00 20.15 C ATOM 1297 O GLN A 190 -6.276 14.315 4.007 1.00 20.90 O ATOM 1298 CB GLN A 190 -3.564 14.947 2.152 1.00 20.90 C ATOM 1299 CG GLN A 190 -2.228 14.301 1.885 1.00 36.48 C ATOM 1300 CD GLN A 190 -1.488 13.984 3.164 1.00 56.11 C ATOM 1301 OE1 GLN A 190 -1.258 14.866 3.993 1.00 60.44 O ATOM 1302 NE2 GLN A 190 -1.121 12.721 3.340 1.00 57.93 N ATOM 1303 HE22 GLN A 190 -1.337 12.010 2.612 1.00 0.00 H ATOM 1304 HE21 GLN A 190 -0.617 12.442 4.206 1.00 0.00 H ATOM 1305 H GLN A 190 -4.539 13.921 0.036 1.00 0.00 H ATOM 1306 N ASP A 191 -6.606 15.496 2.124 1.00 15.05 N ATOM 1307 CA ASP A 191 -7.665 16.294 2.721 1.00 15.71 C ATOM 1308 C ASP A 191 -8.942 15.499 2.940 1.00 16.52 C ATOM 1309 O ASP A 191 -9.792 15.924 3.727 1.00 26.24 O ATOM 1310 CB ASP A 191 -7.951 17.515 1.849 1.00 17.89 C ATOM 1311 CG ASP A 191 -6.859 18.566 1.944 1.00 22.40 C ATOM 1312 OD1 ASP A 191 -5.907 18.361 2.726 1.00 23.50 O ATOM 1313 OD2 ASP A 191 -6.955 19.601 1.250 1.00 24.37 O ATOM 1314 H ASP A 191 -6.368 15.623 1.120 1.00 0.00 H ATOM 1315 N ASN A 192 -9.092 14.359 2.274 1.00 15.38 N ATOM 1316 CA ASN A 192 -10.257 13.516 2.485 1.00 14.43 C ATOM 1317 C ASN A 192 -9.934 12.296 3.341 1.00 16.59 C ATOM 1318 O ASN A 192 -10.660 11.297 3.297 1.00 20.75 O ATOM 1319 CB ASN A 192 -10.858 13.139 1.134 1.00 17.41 C ATOM 1320 CG ASN A 192 -11.419 14.356 0.414 1.00 25.52 C ATOM 1321 OD1 ASN A 192 -10.895 14.785 -0.612 1.00 31.32 O ATOM 1322 ND2 ASN A 192 -12.466 14.949 0.984 1.00 26.65 N ATOM 1323 HD22 ASN A 192 -12.879 14.553 1.852 1.00 0.00 H ATOM 1324 HD21 ASN A 192 -12.871 15.809 0.561 1.00 0.00 H ATOM 1325 H ASN A 192 -8.365 14.065 1.591 1.00 0.00 H ATOM 1326 N GLY A 193 -8.878 12.379 4.150 1.00 16.37 N ATOM 1327 CA GLY A 193 -8.619 11.408 5.196 1.00 19.62 C ATOM 1328 C GLY A 193 -7.495 10.444 4.906 1.00 21.77 C ATOM 1329 O GLY A 193 -7.192 9.602 5.761 1.00 19.34 O ATOM 1330 H GLY A 193 -8.214 13.170 4.027 1.00 0.00 H ATOM 1331 N GLY A 194 -6.873 10.533 3.741 1.00 18.03 N ATOM 1332 CA GLY A 194 -5.752 9.673 3.420 1.00 18.03 C ATOM 1333 C GLY A 194 -6.173 8.235 3.198 1.00 17.77 C ATOM 1334 O GLY A 194 -7.346 7.866 3.241 1.00 17.50 O ATOM 1335 H GLY A 194 -7.195 11.233 3.043 1.00 0.00 H ATOM 1336 N TRP A 195 -5.162 7.396 2.963 1.00 17.24 N ATOM 1337 CA TRP A 195 -5.428 5.979 2.765 1.00 17.68 C ATOM 1338 C TRP A 195 -6.038 5.331 3.998 1.00 17.15 C ATOM 1339 O TRP A 195 -6.687 4.287 3.875 1.00 18.84 O ATOM 1340 CB TRP A 195 -4.140 5.272 2.347 1.00 14.96 C ATOM 1341 CG TRP A 195 -3.775 5.639 0.952 1.00 16.60 C ATOM 1342 CD1 TRP A 195 -2.766 6.465 0.554 1.00 22.49 C ATOM 1343 CD2 TRP A 195 -4.457 5.233 -0.236 1.00 16.06 C ATOM 1344 NE1 TRP A 195 -2.764 6.579 -0.816 1.00 20.38 N ATOM 1345 CE2 TRP A 195 -3.796 5.836 -1.324 1.00 20.43 C ATOM 1346 CE3 TRP A 195 -5.565 4.417 -0.486 1.00 18.77 C ATOM 1347 CZ2 TRP A 195 -4.196 5.635 -2.643 1.00 20.53 C ATOM 1348 CZ3 TRP A 195 -5.963 4.223 -1.796 1.00 24.03 C ATOM 1349 CH2 TRP A 195 -5.280 4.830 -2.858 1.00 20.53 C ATOM 1350 HE1 TRP A 195 -2.089 7.138 -1.375 1.00 0.00 H ATOM 1351 H TRP A 195 -4.186 7.754 2.921 1.00 0.00 H ATOM 1352 N ASP A 196 -5.869 5.932 5.178 1.00 21.13 N ATOM 1353 CA ASP A 196 -6.498 5.376 6.371 1.00 23.25 C ATOM 1354 C ASP A 196 -8.017 5.473 6.285 1.00 21.43 C ATOM 1355 O ASP A 196 -8.726 4.568 6.740 1.00 20.21 O ATOM 1356 CB ASP A 196 -5.974 6.085 7.621 1.00 27.24 C ATOM 1357 CG ASP A 196 -6.386 5.385 8.904 1.00 32.60 C ATOM 1358 OD1 ASP A 196 -5.976 4.223 9.112 1.00 34.72 O ATOM 1359 OD2 ASP A 196 -7.114 6.000 9.710 1.00 37.95 O ATOM 1360 H ASP A 196 -5.291 6.794 5.247 1.00 0.00 H ATOM 1361 N ALA A 197 -8.535 6.557 5.698 1.00 17.64 N ATOM 1362 CA ALA A 197 -9.979 6.665 5.499 1.00 18.41 C ATOM 1363 C ALA A 197 -10.462 5.667 4.457 1.00 18.17 C ATOM 1364 O ALA A 197 -11.500 5.020 4.644 1.00 20.52 O ATOM 1365 CB ALA A 197 -10.348 8.091 5.089 1.00 16.74 C ATOM 1366 H ALA A 197 -7.909 7.325 5.382 1.00 0.00 H ATOM 1367 N PHE A 198 -9.721 5.537 3.352 1.00 14.23 N ATOM 1368 CA PHE A 198 -10.014 4.517 2.348 1.00 14.86 C ATOM 1369 C PHE A 198 -10.127 3.140 2.986 1.00 16.86 C ATOM 1370 O PHE A 198 -11.058 2.377 2.699 1.00 15.46 O ATOM 1371 CB PHE A 198 -8.919 4.527 1.275 1.00 15.20 C ATOM 1372 CG PHE A 198 -9.083 3.464 0.223 1.00 13.97 C ATOM 1373 CD1 PHE A 198 -10.027 3.607 -0.782 1.00 11.59 C ATOM 1374 CD2 PHE A 198 -8.281 2.329 0.228 1.00 18.04 C ATOM 1375 CE1 PHE A 198 -10.184 2.636 -1.753 1.00 17.01 C ATOM 1376 CE2 PHE A 198 -8.431 1.352 -0.743 1.00 22.01 C ATOM 1377 CZ PHE A 198 -9.384 1.505 -1.733 1.00 21.02 C ATOM 1378 H PHE A 198 -8.916 6.178 3.203 1.00 0.00 H ATOM 1379 N VAL A 199 -9.186 2.811 3.872 1.00 19.42 N ATOM 1380 CA VAL A 199 -9.199 1.499 4.506 1.00 19.77 C ATOM 1381 C VAL A 199 -10.412 1.351 5.417 1.00 21.01 C ATOM 1382 O VAL A 199 -11.082 0.311 5.408 1.00 26.62 O ATOM 1383 CB VAL A 199 -7.878 1.261 5.257 1.00 26.56 C ATOM 1384 CG1 VAL A 199 -7.984 0.028 6.132 1.00 28.19 C ATOM 1385 CG2 VAL A 199 -6.750 1.097 4.259 1.00 20.68 C ATOM 1386 H VAL A 199 -8.439 3.494 4.112 1.00 0.00 H ATOM 1387 N GLU A 200 -10.734 2.384 6.203 1.00 20.87 N ATOM 1388 CA GLU A 200 -11.905 2.283 7.070 1.00 21.79 C ATOM 1389 C GLU A 200 -13.190 2.161 6.257 1.00 25.43 C ATOM 1390 O GLU A 200 -14.123 1.454 6.663 1.00 28.18 O ATOM 1391 CB GLU A 200 -11.991 3.487 8.015 1.00 27.55 C ATOM 1392 CG GLU A 200 -13.429 3.793 8.436 1.00 36.69 C ATOM 1393 CD GLU A 200 -13.552 4.367 9.831 1.00 53.88 C ATOM 1394 OE1 GLU A 200 -12.520 4.747 10.421 1.00 54.05 O ATOM 1395 OE2 GLU A 200 -14.694 4.433 10.337 1.00 57.40 O ATOM 1396 H GLU A 200 -10.157 3.249 6.197 1.00 0.00 H ATOM 1397 N LEU A 201 -13.257 2.830 5.100 1.00 19.02 N ATOM 1398 CA LEU A 201 -14.487 2.814 4.313 1.00 20.46 C ATOM 1399 C LEU A 201 -14.679 1.481 3.600 1.00 27.44 C ATOM 1400 O LEU A 201 -15.789 0.938 3.570 1.00 27.15 O ATOM 1401 CB LEU A 201 -14.479 3.950 3.289 1.00 19.92 C ATOM 1402 CG LEU A 201 -14.657 5.361 3.830 1.00 15.14 C ATOM 1403 CD1 LEU A 201 -14.229 6.365 2.771 1.00 13.83 C ATOM 1404 CD2 LEU A 201 -16.100 5.600 4.244 1.00 18.97 C ATOM 1405 H LEU A 201 -12.431 3.363 4.760 1.00 0.00 H ATOM 1406 N TYR A 202 -13.620 0.953 2.993 1.00 20.72 N ATOM 1407 CA TYR A 202 -13.758 -0.165 2.071 1.00 24.30 C ATOM 1408 C TYR A 202 -12.943 -1.391 2.455 1.00 30.53 C ATOM 1409 O TYR A 202 -12.940 -2.371 1.701 1.00 32.70 O ATOM 1410 CB TYR A 202 -13.383 0.293 0.658 1.00 21.55 C ATOM 1411 CG TYR A 202 -14.091 1.568 0.269 1.00 22.81 C ATOM 1412 CD1 TYR A 202 -15.463 1.581 0.053 1.00 26.07 C ATOM 1413 CD2 TYR A 202 -13.395 2.760 0.131 1.00 17.76 C ATOM 1414 CE1 TYR A 202 -16.122 2.742 -0.296 1.00 21.27 C ATOM 1415 CE2 TYR A 202 -14.044 3.926 -0.221 1.00 21.39 C ATOM 1416 CZ TYR A 202 -15.405 3.912 -0.429 1.00 23.76 C ATOM 1417 OH TYR A 202 -16.046 5.076 -0.780 1.00 25.31 O ATOM 1418 HH TYR A 202 -17.013 4.898 -0.892 1.00 0.00 H ATOM 1419 H TYR A 202 -12.676 1.346 3.181 1.00 0.00 H ATOM 1420 N GLY A 203 -12.267 -1.377 3.599 1.00 28.03 N ATOM 1421 CA GLY A 203 -11.485 -2.523 4.029 1.00 29.37 C ATOM 1422 C GLY A 203 -12.159 -3.326 5.123 1.00 33.56 C ATOM 1423 O GLY A 203 -13.384 -3.430 5.158 1.00 39.28 O ATOM 1424 H GLY A 203 -12.299 -0.528 4.199 1.00 0.00 H TER 1425 GLY A 203 HETATM 1426 O HOH 1 8.507 14.593 -8.349 1.00 34.41 O HETATM 1427 O HOH 2 -19.798 1.578 -17.206 1.00 43.39 O HETATM 1428 O HOH 3 -18.407 5.357 -0.518 1.00 34.70 O HETATM 1429 O HOH 4 -10.396 18.344 -18.475 1.00 40.08 O HETATM 1430 O HOH 5 -15.544 7.868 -2.593 1.00 31.24 O HETATM 1431 O HOH 6 -1.272 8.812 -1.747 1.00 36.12 O HETATM 1432 O HOH 7 -2.379 8.483 -31.939 1.00 45.57 O HETATM 1433 O HOH 8 -11.727 14.146 -21.583 1.00 39.68 O HETATM 1434 O HOH 9 12.368 -1.101 -4.767 1.00 42.52 O HETATM 1435 O HOH 10 9.768 -8.735 -28.710 1.00 20.13 O HETATM 1436 O HOH 11 -2.629 -4.539 -26.431 1.00 44.70 O HETATM 1437 O HOH 12 -12.246 -8.412 -4.471 1.00 32.00 O HETATM 1438 O HOH 13 -5.521 13.638 -25.193 1.00 21.27 O HETATM 1439 O HOH 14 -14.925 14.849 -4.822 1.00 46.34 O HETATM 1440 O HOH 15 -16.853 4.451 8.913 1.00 51.24 O HETATM 1441 O HOH 16 -3.231 -13.903 -18.583 1.00 24.99 O HETATM 1442 O HOH 17 6.302 -8.149 -10.859 1.00 32.19 O HETATM 1443 O HOH 18 8.067 -8.061 -18.246 1.00 47.12 O HETATM 1444 O HOH 19 2.824 2.469 2.083 1.00 30.58 O HETATM 1445 O HOH 20 -5.924 -5.952 -20.205 1.00 30.84 O HETATM 1446 O HOH 21 8.248 5.083 2.983 1.00 37.69 O HETATM 1447 O HOH 22 -0.045 -16.101 -10.574 1.00 48.69 O HETATM 1448 O HOH 23 -21.718 0.364 -8.955 1.00 38.02 O HETATM 1449 O HOH 24 -5.225 1.711 8.632 1.00 45.34 O HETATM 1450 O HOH 25 -6.789 -5.455 -7.945 1.00 36.60 O HETATM 1451 O HOH 26 9.355 2.877 -12.528 1.00 22.78 O HETATM 1452 O HOH 27 10.538 0.347 -12.243 1.00 19.82 O HETATM 1453 O HOH 28 -8.414 -6.942 -12.769 1.00 35.93 O HETATM 1454 O HOH 29 -6.286 -13.026 -7.583 1.00 51.82 O HETATM 1455 O HOH 30 -3.955 8.336 6.109 1.00 41.55 O HETATM 1456 O HOH 31 -5.907 -10.316 -2.254 1.00 40.17 O HETATM 1457 O HOH 32 8.509 -8.597 -32.421 1.00 46.84 O HETATM 1458 O HOH 33 -24.499 7.530 -7.257 1.00 34.47 O HETATM 1459 O HOH 34 -11.141 -3.676 -0.443 1.00 38.08 O HETATM 1460 O HOH 35 5.016 7.655 -24.429 1.00 23.10 O HETATM 1461 O HOH 36 -19.889 12.458 -10.985 1.00 52.98 O HETATM 1462 O HOH 37 -5.341 16.861 -5.288 1.00 22.53 O HETATM 1463 O HOH 38 12.277 0.112 -18.728 1.00 36.23 O HETATM 1464 O HOH 39 -4.083 13.814 -18.051 1.00 20.61 O HETATM 1465 O HOH 40 -14.850 12.220 -12.661 1.00 38.77 O HETATM 1466 O HOH 41 3.872 14.181 -2.593 1.00 15.72 O HETATM 1467 O HOH 42 -4.877 -2.508 -27.188 1.00 47.26 O HETATM 1468 O HOH 43 4.403 5.490 -32.421 1.00 35.17 O HETATM 1469 O HOH 44 -0.718 -1.361 -3.169 1.00 17.99 O HETATM 1470 O HOH 45 -1.779 -3.928 -3.505 1.00 18.42 O HETATM 1471 O HOH 46 -3.296 19.113 2.128 1.00 26.56 O HETATM 1472 O HOH 47 -2.517 20.460 -4.668 1.00 33.60 O HETATM 1473 O HOH 48 -6.002 -3.963 -13.953 1.00 20.44 O HETATM 1474 O HOH 49 -22.145 -3.787 -14.637 1.00 31.33 O HETATM 1475 O HOH 50 -5.436 8.722 -26.994 1.00 31.22 O HETATM 1476 O HOH 51 -23.476 -6.513 -16.680 1.00 35.20 O HETATM 1477 O HOH 52 -16.741 2.369 7.252 1.00 47.54 O HETATM 1478 O HOH 53 -9.293 13.196 -22.278 1.00 29.85 O HETATM 1479 O HOH 54 -0.610 11.151 -2.453 1.00 30.11 O HETATM 1480 O HOH 55 1.853 -7.284 -4.350 1.00 33.50 O HETATM 1481 O HOH 56 4.783 -9.839 -11.967 1.00 35.84 O HETATM 1482 O HOH 57 -2.575 -1.882 -26.718 1.00 44.56 O HETATM 1483 O HOH 58 -18.079 4.421 -16.192 1.00 40.13 O HETATM 1484 O HOH 59 -3.972 -11.413 -20.042 1.00 29.61 O HETATM 1485 O HOH 60 10.314 -6.235 -27.908 1.00 39.36 O HETATM 1486 O HOH 61 -5.189 12.810 6.248 1.00 45.04 O HETATM 1487 O HOH 62 -12.563 -8.132 -15.774 1.00 46.49 O HETATM 1488 O HOH 63 3.744 -12.621 -6.023 1.00 60.42 O HETATM 1489 O HOH 64 -18.710 -2.766 -17.768 1.00 31.00 O HETATM 1490 O HOH 65 8.517 8.493 -18.737 1.00 26.54 O HETATM 1491 O HOH 66 -1.787 5.426 9.873 1.00 51.04 O HETATM 1492 O HOH 67 -9.782 -10.016 -4.295 1.00 33.72 O HETATM 1493 O HOH 68 9.865 -3.695 -17.334 1.00 29.14 O HETATM 1494 O HOH 69 4.511 -14.066 -13.072 1.00 51.20 O HETATM 1495 O HOH 70 -2.550 17.699 -5.206 1.00 22.17 O HETATM 1496 O HOH 71 6.672 3.650 4.882 1.00 53.54 O HETATM 1497 O HOH 72 -5.021 -6.248 -15.018 1.00 47.37 O HETATM 1498 O HOH 73 11.222 7.398 -5.955 1.00 31.75 O HETATM 1499 O HOH 74 -17.943 -8.360 -7.758 1.00 42.48 O HETATM 1500 O HOH 75 -18.003 1.849 5.445 1.00 39.45 O HETATM 1501 O HOH 76 -13.831 1.416 -21.780 1.00 49.34 O HETATM 1502 O HOH 77 -19.566 -5.387 -17.156 1.00 26.59 O HETATM 1503 O HOH 78 14.202 -8.631 -9.676 1.00 39.26 O HETATM 1504 O HOH 79 6.076 -5.832 -4.934 1.00 36.72 O HETATM 1505 O HOH 80 -2.345 8.975 3.058 1.00 28.45 O HETATM 1506 O HOH 81 1.640 9.846 1.094 1.00 33.74 O HETATM 1507 O HOH 82 -0.451 -6.059 -3.017 1.00 27.59 O HETATM 1508 O HOH 83 -6.726 18.938 -4.938 1.00 41.59 O HETATM 1509 O HOH 84 -0.622 9.689 0.916 1.00 49.88 O HETATM 1510 O HOH 85 -6.758 9.288 -31.173 1.00 58.88 O HETATM 1511 O HOH 86 7.095 9.248 -23.165 1.00 41.40 O HETATM 1512 C11 LBM A 87 -11.099 0.563 -17.907 1.00 -0.06 C HETATM 1513 C12 LBM A 87 -11.971 1.591 -18.212 1.00 -0.07 C HETATM 1514 C7 LBM A 87 -12.130 2.649 -17.329 1.00 -0.05 C HETATM 1515 C5 LBM A 87 -13.024 3.783 -17.671 1.00 -0.05 C HETATM 1516 C4 LBM A 87 -14.327 3.829 -17.320 1.00 -0.01 C HETATM 1517 C13 LBM A 87 -14.929 2.663 -16.587 1.00 0.00 C HETATM 1518 N LBM A 87 -15.536 3.192 -15.367 1.00 0.25 N HETATM 1519 C14 LBM A 87 -14.522 3.708 -14.451 1.00 -0.01 C HETATM 1520 C15 LBM A 87 -15.178 4.347 -13.250 1.00 0.07 C HETATM 1521 N1 LBM A 87 -16.038 3.384 -12.557 1.00 -0.30 N HETATM 1522 C16 LBM A 87 -17.008 2.756 -13.458 1.00 0.07 C HETATM 1523 C17 LBM A 87 -16.307 2.164 -14.667 1.00 -0.01 C HETATM 1524 H11 LBM A 87 -17.059 1.746 -15.353 1.00 0.08 H HETATM 1525 H12 LBM A 87 -15.628 1.365 -14.336 1.00 0.08 H HETATM 1526 H9 LBM A 87 -17.537 1.956 -12.919 1.00 0.06 H HETATM 1527 H10 LBM A 87 -17.732 3.513 -13.794 1.00 0.06 H HETATM 1528 C18 LBM A 87 -16.521 3.849 -11.348 1.00 0.04 C HETATM 1529 C19 LBM A 87 -17.202 3.003 -10.470 1.00 -0.01 C HETATM 1530 C20 LBM A 87 -17.637 3.473 -9.244 1.00 0.12 C HETATM 1531 C21 LBM A 87 -17.409 4.797 -8.854 1.00 0.07 C HETATM 1532 C22 LBM A 87 -16.750 5.635 -9.748 1.00 -0.06 C HETATM 1533 C23 LBM A 87 -16.311 5.170 -10.972 1.00 -0.05 C HETATM 1534 H15 LBM A 87 -15.796 5.844 -11.648 1.00 0.04 H HETATM 1535 H14 LBM A 87 -16.578 6.671 -9.479 1.00 0.06 H HETATM 1536 C24 LBM A 87 -17.731 5.387 -7.519 1.00 0.21 C HETATM 1537 O LBM A 87 -18.596 6.243 -7.365 1.00 -0.39 O HETATM 1538 N2 LBM A 87 -16.973 4.928 -6.458 1.00 -0.16 N HETATM 1539 S LBM A 87 -17.305 5.229 -4.883 1.00 0.09 S HETATM 1540 C25 LBM A 87 -16.916 3.720 -4.074 1.00 0.11 C HETATM 1541 C26 LBM A 87 -15.585 3.422 -3.838 1.00 -0.00 C HETATM 1542 C27 LBM A 87 -15.243 2.136 -3.487 1.00 0.22 C HETATM 1543 C28 LBM A 87 -16.219 1.116 -3.327 1.00 0.08 C HETATM 1544 C29 LBM A 87 -17.549 1.487 -3.516 1.00 -0.03 C HETATM 1545 C30 LBM A 87 -17.904 2.772 -3.881 1.00 -0.04 C HETATM 1546 H28 LBM A 87 -18.947 3.034 -4.015 1.00 0.06 H HETATM 1547 H17 LBM A 87 -18.328 0.747 -3.373 1.00 0.05 H HETATM 1548 N3 LBM A 87 -15.895 -0.174 -3.035 1.00 -0.32 N HETATM 1549 C31 LBM A 87 -16.921 -1.193 -2.896 1.00 0.03 C HETATM 1550 C32 LBM A 87 -16.430 -2.286 -1.969 1.00 -0.02 C HETATM 1551 C33 LBM A 87 -17.315 -3.520 -2.084 1.00 -0.02 C HETATM 1552 C34 LBM A 87 -16.742 -4.639 -1.252 1.00 0.05 C HETATM 1553 O3 LBM A 87 -15.416 -4.957 -1.660 1.00 -0.38 O HETATM 1554 C35 LBM A 87 -14.562 -3.835 -1.465 1.00 0.05 C HETATM 1555 C36 LBM A 87 -14.996 -2.667 -2.311 1.00 -0.02 C HETATM 1556 H36 LBM A 87 -14.334 -1.810 -2.117 1.00 0.03 H HETATM 1557 H37 LBM A 87 -14.935 -2.944 -3.374 1.00 0.03 H HETATM 1558 H34 LBM A 87 -14.592 -3.541 -0.405 1.00 0.06 H HETATM 1559 H35 LBM A 87 -13.534 -4.114 -1.739 1.00 0.06 H HETATM 1560 H32 LBM A 87 -17.376 -5.531 -1.365 1.00 0.06 H HETATM 1561 H33 LBM A 87 -16.728 -4.330 -0.196 1.00 0.06 H HETATM 1562 H30 LBM A 87 -17.366 -3.836 -3.136 1.00 0.03 H HETATM 1563 H31 LBM A 87 -18.326 -3.279 -1.725 1.00 0.03 H HETATM 1564 H29 LBM A 87 -16.465 -1.915 -0.934 1.00 0.03 H HETATM 1565 H18 LBM A 87 -17.832 -0.740 -2.478 1.00 0.05 H HETATM 1566 H19 LBM A 87 -17.145 -1.624 -3.883 1.00 0.05 H HETATM 1567 H50 LBM A 87 -14.905 -0.432 -2.911 1.00 0.18 H HETATM 1568 N4 LBM A 87 -13.813 1.875 -3.342 1.00 0.31 N HETATM 1569 O4 LBM A 87 -13.458 0.775 -2.948 1.00 0.17 O HETATM 1570 O5 LBM A 87 -13.031 2.769 -3.633 1.00 0.17 O HETATM 1571 H16 LBM A 87 -14.824 4.189 -3.928 1.00 0.07 H HETATM 1572 O1 LBM A 87 -18.711 5.462 -4.749 1.00 -0.15 O HETATM 1573 O2 LBM A 87 -16.377 6.228 -4.446 1.00 -0.15 O HETATM 1574 H49 LBM A 87 -16.167 4.374 -6.667 1.00 0.21 H HETATM 1575 O6 LBM A 87 -18.320 2.621 -8.377 1.00 -0.26 O HETATM 1576 C37 LBM A 87 -17.665 1.503 -7.852 1.00 0.13 C HETATM 1577 C38 LBM A 87 -18.322 0.286 -7.748 1.00 0.03 C HETATM 1578 N5 LBM A 87 -17.755 -0.813 -7.230 1.00 -0.29 N HETATM 1579 C39 LBM A 87 -16.487 -0.700 -6.797 1.00 0.13 C HETATM 1580 C40 LBM A 87 -15.725 0.499 -6.864 1.00 -0.01 C HETATM 1581 C41 LBM A 87 -16.354 1.617 -7.412 1.00 -0.02 C HETATM 1582 H39 LBM A 87 -15.827 2.561 -7.493 1.00 0.06 H HETATM 1583 C42 LBM A 87 -14.450 0.190 -6.295 1.00 -0.06 C HETATM 1584 C43 LBM A 87 -14.484 -1.116 -5.924 1.00 0.02 C HETATM 1585 N6 LBM A 87 -15.712 -1.664 -6.223 1.00 -0.27 N HETATM 1586 H51 LBM A 87 -15.997 -2.637 -6.043 1.00 0.23 H HETATM 1587 H41 LBM A 87 -13.659 -1.653 -5.457 1.00 0.10 H HETATM 1588 H40 LBM A 87 -13.610 0.873 -6.181 1.00 0.03 H HETATM 1589 H38 LBM A 87 -19.344 0.220 -8.103 1.00 0.07 H HETATM 1590 H13 LBM A 87 -17.391 1.973 -10.751 1.00 0.05 H HETATM 1591 H7 LBM A 87 -15.787 5.201 -13.582 1.00 0.06 H HETATM 1592 H8 LBM A 87 -14.399 4.699 -12.558 1.00 0.06 H HETATM 1593 H5 LBM A 87 -13.880 2.880 -14.116 1.00 0.08 H HETATM 1594 H6 LBM A 87 -13.910 4.459 -14.973 1.00 0.08 H HETATM 1595 H20 LBM A 87 -16.156 3.945 -15.624 1.00 0.21 H HETATM 1596 H3 LBM A 87 -15.695 2.179 -17.211 1.00 0.10 H HETATM 1597 H4 LBM A 87 -14.147 1.932 -16.334 1.00 0.10 H HETATM 1598 C3 LBM A 87 -15.211 4.996 -17.667 1.00 -0.01 C HETATM 1599 C2 LBM A 87 -14.540 6.119 -18.462 1.00 -0.04 C HETATM 1600 C1 LBM A 87 -13.373 5.648 -19.340 1.00 -0.03 C HETATM 1601 C LBM A 87 -13.885 4.728 -20.449 1.00 -0.06 C HETATM 1602 H21 LBM A 87 -14.594 5.279 -21.085 1.00 0.02 H HETATM 1603 H22 LBM A 87 -14.392 3.861 -20.001 1.00 0.02 H HETATM 1604 H23 LBM A 87 -13.037 4.382 -21.059 1.00 0.02 H HETATM 1605 C44 LBM A 87 -12.675 6.852 -19.972 1.00 -0.06 C HETATM 1606 H42 LBM A 87 -11.841 6.505 -20.599 1.00 0.02 H HETATM 1607 H43 LBM A 87 -12.289 7.510 -19.179 1.00 0.02 H HETATM 1608 H44 LBM A 87 -13.393 7.408 -20.593 1.00 0.02 H HETATM 1609 C6 LBM A 87 -12.386 4.890 -18.450 1.00 -0.03 C HETATM 1610 H45 LBM A 87 -11.936 5.601 -17.742 1.00 0.03 H HETATM 1611 H46 LBM A 87 -11.599 4.460 -19.087 1.00 0.03 H HETATM 1612 H24 LBM A 87 -15.297 6.583 -19.111 1.00 0.03 H HETATM 1613 H25 LBM A 87 -14.159 6.867 -17.751 1.00 0.03 H HETATM 1614 H26 LBM A 87 -16.054 4.617 -18.263 1.00 0.05 H HETATM 1615 H27 LBM A 87 -15.589 5.425 -16.728 1.00 0.05 H HETATM 1616 C8 LBM A 87 -11.423 2.661 -16.135 1.00 -0.07 C HETATM 1617 C9 LBM A 87 -10.554 1.628 -15.838 1.00 -0.06 C HETATM 1618 C10 LBM A 87 -10.386 0.585 -16.725 1.00 0.03 C HETATM 1619 CL LBM A 87 -9.257 -0.691 -16.367 1.00 -0.08 CL HETATM 1620 H48 LBM A 87 -10.003 1.637 -14.905 1.00 0.06 H HETATM 1621 H47 LBM A 87 -11.552 3.479 -15.436 1.00 0.05 H HETATM 1622 H2 LBM A 87 -12.530 1.571 -19.140 1.00 0.05 H HETATM 1623 H1 LBM A 87 -10.975 -0.263 -18.598 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 290 291 297 298 299 CONECT 297 290 CONECT 298 290 CONECT 299 290 CONECT 1512 1513 1618 1623 CONECT 1513 1512 1514 1622 CONECT 1514 1513 1515 1616 CONECT 1515 1514 1516 1609 CONECT 1516 1515 1517 1598 CONECT 1517 1516 1518 1596 1597 CONECT 1518 1517 1519 1523 1595 CONECT 1519 1518 1520 1593 1594 CONECT 1520 1519 1521 1591 1592 CONECT 1521 1520 1522 1528 CONECT 1522 1521 1523 1526 1527 CONECT 1523 1518 1522 1524 1525 CONECT 1524 1523 CONECT 1525 1523 CONECT 1526 1522 CONECT 1527 1522 CONECT 1528 1521 1529 1533 CONECT 1529 1528 1530 1590 CONECT 1530 1529 1531 1575 CONECT 1531 1530 1532 1536 CONECT 1532 1531 1533 1535 CONECT 1533 1528 1532 1534 CONECT 1534 1533 CONECT 1535 1532 CONECT 1536 1531 1537 1538 CONECT 1537 1536 CONECT 1538 1536 1539 1574 CONECT 1539 1538 1540 1572 1573 CONECT 1540 1539 1541 1545 CONECT 1541 1540 1542 1571 CONECT 1542 1541 1543 1568 CONECT 1543 1542 1544 1548 CONECT 1544 1543 1545 1547 CONECT 1545 1540 1544 1546 CONECT 1546 1545 CONECT 1547 1544 CONECT 1548 1543 1549 1567 CONECT 1549 1548 1550 1565 1566 CONECT 1550 1549 1551 1555 1564 CONECT 1551 1550 1552 1562 1563 CONECT 1552 1551 1553 1560 1561 CONECT 1553 1552 1554 CONECT 1554 1553 1555 1558 1559 CONECT 1555 1550 1554 1556 1557 CONECT 1556 1555 CONECT 1557 1555 CONECT 1558 1554 CONECT 1559 1554 CONECT 1560 1552 CONECT 1561 1552 CONECT 1562 1551 CONECT 1563 1551 CONECT 1564 1550 CONECT 1565 1549 CONECT 1566 1549 CONECT 1567 1548 CONECT 1568 1542 1569 1570 CONECT 1569 1568 CONECT 1570 1568 CONECT 1571 1541 CONECT 1572 1539 CONECT 1573 1539 CONECT 1574 1538 CONECT 1575 1530 1576 CONECT 1576 1575 1577 1581 CONECT 1577 1576 1578 1589 CONECT 1578 1577 1579 CONECT 1579 1578 1580 1585 CONECT 1580 1579 1581 1583 CONECT 1581 1576 1580 1582 CONECT 1582 1581 CONECT 1583 1580 1584 1588 CONECT 1584 1583 1585 1587 CONECT 1585 1579 1584 1586 CONECT 1586 1585 CONECT 1587 1584 CONECT 1588 1583 CONECT 1589 1577 CONECT 1590 1529 CONECT 1591 1520 CONECT 1592 1520 CONECT 1593 1519 CONECT 1594 1519 CONECT 1595 1518 CONECT 1596 1517 CONECT 1597 1517 CONECT 1598 1516 1599 1614 1615 CONECT 1599 1598 1600 1612 1613 CONECT 1600 1599 1601 1605 1609 CONECT 1601 1600 1602 1603 1604 CONECT 1602 1601 CONECT 1603 1601 CONECT 1604 1601 CONECT 1605 1600 1606 1607 1608 CONECT 1606 1605 CONECT 1607 1605 CONECT 1608 1605 CONECT 1609 1515 1600 1610 1611 CONECT 1610 1609 CONECT 1611 1609 CONECT 1612 1599 CONECT 1613 1599 CONECT 1614 1598 CONECT 1615 1598 CONECT 1616 1514 1617 1621 CONECT 1617 1616 1618 1620 CONECT 1618 1512 1617 1619 CONECT 1619 1618 CONECT 1620 1617 CONECT 1621 1616 CONECT 1622 1513 CONECT 1623 1512 MASTER 0 0 0 0 0 0 0 0 1621 2 120 12 END
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Related entries of code: 6o0m
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Protein Sequence Similarity
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PDBbind
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6gl8
RCSB PDB
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RCSB PDB
PDBbind
166aa, >6O0P_1|Chain... at 92%
6o0o
RCSB PDB
PDBbind
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6o0k
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PDBbind
166aa, >6O0K_1|Chain... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
6o0p
RCSB PDB
PDBbind
LBM
6o0k
RCSB PDB
PDBbind
LBM
Entry Information
PDB ID
6o0m
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
BCL-2 F104L mutation
Ligand Name
LBM
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Ki=0.46nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Nat Commun Vol. 10: pp. 2385-2385
Ligand Properties
Formula
C
4
5
H
5
1
ClN
7
O
7
S
Molecular Weight
869.447
Exact Mass
868.326
No. of atoms
112
No. of bonds
119
Polar Surface Area
184.29
LOGP Value
8.18 (
Computed with XLOGP3
)
10.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 8
Canonical SMILES
Clc1ccc(cc1)C1=C(CCC(C1)(C)C)C[NH+]1CCN(CC1)c1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)NS(=O)(=O)c1ccc(c(c1)N(=O)=O)NCC1CCOCC1
InChI String
InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)/p+1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P10415
Q07817
Entrez Gene ID
NCBI Entrez Gene ID:
596
598
ASD
Information of known allosteric effects of PDB entries
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