Browse entries in the PDBbind-CN Database
HEADER 6S55_COMPLEX COMPND 6S55_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 130 SER MET GLN GLU GLU ASP THR PHE ARG GLU LEU ARG ILE SEQRES 2 A 130 PHE LEU ARG ASN VAL THR HIS ARG LEU ALA ILE ASP LYS SEQRES 3 A 130 ARG PHE ARG VAL PHE THR LYS PRO VAL ASP PRO ASP GLU SEQRES 4 A 130 VAL PRO ASP TYR VAL THR VAL ILE LYS GLN PRO MET ASP SEQRES 5 A 130 LEU SER SER VAL ILE SER LYS ILE ASP LEU HIS LYS TYR SEQRES 6 A 130 LEU THR VAL LYS ASP TYR LEU ARG ASP ILE ASP LEU ILE SEQRES 7 A 130 CYS SER ASN ALA LEU GLU TYR ASN PRO ASP ARG ASP PRO SEQRES 8 A 130 GLY ASP ARG LEU ILE ARG HIS ARG ALA CYS ALA LEU ARG SEQRES 9 A 130 ASP THR ALA TYR ALA ILE ILE LYS GLU GLU LEU ASP GLU SEQRES 10 A 130 ASP PHE GLU GLN LEU CYS GLU GLU ILE GLN GLU SER ARG HET KW A 5 49 ATOM 1 N SER A 979 12.490 45.968 -3.367 1.00 56.49 N ATOM 2 CA SER A 979 12.866 46.258 -4.771 1.00 59.03 C ATOM 3 C SER A 979 11.632 46.651 -5.606 1.00 59.22 C ATOM 4 O SER A 979 10.487 46.500 -5.130 1.00 49.09 O ATOM 5 CB SER A 979 13.577 45.072 -5.375 1.00 60.16 C ATOM 6 OG SER A 979 12.748 43.918 -5.317 1.00 57.84 O ATOM 7 HG SER A 979 13.227 43.149 -5.716 1.00 0.00 H ATOM 8 HN3 SER A 979 11.810 45.181 -3.347 1.00 0.00 H ATOM 9 HN2 SER A 979 12.057 46.813 -2.944 1.00 0.00 H ATOM 10 HN1 SER A 979 13.340 45.706 -2.829 1.00 0.00 H ATOM 11 N MET A 980 11.882 47.161 -6.814 1.00 63.40 N ATOM 12 CA MET A 980 10.885 47.419 -7.893 1.00 66.38 C ATOM 13 C MET A 980 10.044 46.151 -8.135 1.00 60.02 C ATOM 14 O MET A 980 8.801 46.261 -8.220 1.00 60.87 O ATOM 15 CB MET A 980 11.627 47.835 -9.176 1.00 75.52 C ATOM 16 CG MET A 980 10.824 47.722 -10.481 1.00 84.37 C ATOM 17 SD MET A 980 9.545 49.022 -10.700 1.00 95.11 S ATOM 18 CE MET A 980 10.393 50.195 -11.760 1.00 90.86 C ATOM 19 H MET A 980 12.871 47.403 -7.024 1.00 0.00 H ATOM 20 N GLN A 981 10.694 44.988 -8.224 1.00 56.35 N ATOM 21 CA GLN A 981 10.048 43.670 -8.475 1.00 56.77 C ATOM 22 C GLN A 981 9.080 43.351 -7.317 1.00 49.73 C ATOM 23 O GLN A 981 7.953 42.866 -7.570 1.00 45.57 O ATOM 24 CB GLN A 981 11.127 42.594 -8.650 1.00 65.08 C ATOM 25 CG GLN A 981 12.186 42.926 -9.707 1.00 77.99 C ATOM 26 CD GLN A 981 13.356 43.751 -9.202 1.00 90.53 C ATOM 27 OE1 GLN A 981 13.704 44.788 -9.769 1.00 94.72 O ATOM 28 NE2 GLN A 981 13.978 43.306 -8.118 1.00 93.63 N ATOM 29 HE22 GLN A 981 13.662 42.427 -7.661 1.00 0.00 H ATOM 30 HE21 GLN A 981 14.782 43.836 -7.725 1.00 0.00 H ATOM 31 H GLN A 981 11.728 45.004 -8.110 1.00 0.00 H ATOM 32 N GLU A 982 9.488 43.621 -6.078 1.00 40.12 N ATOM 33 CA GLU A 982 8.639 43.350 -4.887 1.00 40.41 C ATOM 34 C GLU A 982 7.473 44.338 -4.897 1.00 36.54 C ATOM 35 O GLU A 982 6.353 43.946 -4.505 1.00 34.19 O ATOM 36 CB GLU A 982 9.462 43.379 -3.599 1.00 41.08 C ATOM 37 CG GLU A 982 10.420 42.194 -3.499 1.00 45.93 C ATOM 38 CD GLU A 982 11.219 42.108 -2.202 1.00 45.89 C ATOM 39 OE1 GLU A 982 11.216 43.092 -1.430 1.00 44.22 O ATOM 40 OE2 GLU A 982 11.853 41.057 -1.971 1.00 43.31 O ATOM 41 H GLU A 982 10.432 44.035 -5.939 1.00 0.00 H ATOM 42 N GLU A 983 7.722 45.564 -5.345 1.00 36.64 N ATOM 43 CA GLU A 983 6.702 46.635 -5.319 1.00 38.21 C ATOM 44 C GLU A 983 5.662 46.302 -6.386 1.00 31.83 C ATOM 45 O GLU A 983 4.475 46.540 -6.122 1.00 28.37 O ATOM 46 CB GLU A 983 7.345 48.019 -5.430 1.00 44.70 C ATOM 47 CG GLU A 983 8.040 48.453 -4.129 1.00 56.10 C ATOM 48 CD GLU A 983 7.429 47.994 -2.792 1.00 68.21 C ATOM 49 OE1 GLU A 983 6.239 48.333 -2.507 1.00 67.66 O ATOM 50 OE2 GLU A 983 8.142 47.292 -2.010 1.00 68.80 O ATOM 51 H GLU A 983 8.666 45.778 -5.727 1.00 0.00 H ATOM 52 N ASP A 984 6.102 45.740 -7.512 1.00 29.40 N ATOM 53 CA ASP A 984 5.216 45.214 -8.579 1.00 31.08 C ATOM 54 C ASP A 984 4.349 44.072 -8.026 1.00 27.27 C ATOM 55 O ASP A 984 3.137 44.040 -8.341 1.00 25.09 O ATOM 56 CB ASP A 984 6.028 44.722 -9.776 1.00 33.17 C ATOM 57 CG ASP A 984 6.705 45.844 -10.553 1.00 36.91 C ATOM 58 OD1 ASP A 984 6.425 47.013 -10.266 1.00 36.35 O ATOM 59 OD2 ASP A 984 7.494 45.523 -11.446 1.00 39.93 O ATOM 60 H ASP A 984 7.130 45.666 -7.651 1.00 0.00 H ATOM 61 N THR A 985 4.941 43.161 -7.244 1.00 24.12 N ATOM 62 CA THR A 985 4.186 42.055 -6.615 1.00 23.66 C ATOM 63 C THR A 985 3.028 42.627 -5.791 1.00 22.80 C ATOM 64 O THR A 985 1.878 42.236 -6.054 1.00 20.71 O ATOM 65 CB THR A 985 5.078 41.140 -5.776 1.00 24.07 C ATOM 66 OG1 THR A 985 6.090 40.659 -6.653 1.00 23.30 O ATOM 67 CG2 THR A 985 4.301 39.999 -5.153 1.00 24.24 C ATOM 68 HG1 THR A 985 5.670 40.161 -7.399 1.00 0.00 H ATOM 69 H THR A 985 5.964 43.233 -7.073 1.00 0.00 H ATOM 70 N PHE A 986 3.312 43.508 -4.826 1.00 25.15 N ATOM 71 CA PHE A 986 2.276 44.071 -3.918 1.00 25.47 C ATOM 72 C PHE A 986 1.258 44.887 -4.744 1.00 24.40 C ATOM 73 O PHE A 986 0.082 44.892 -4.399 1.00 24.12 O ATOM 74 CB PHE A 986 2.932 44.860 -2.794 1.00 27.56 C ATOM 75 CG PHE A 986 3.679 44.002 -1.803 1.00 29.54 C ATOM 76 CD1 PHE A 986 3.131 42.817 -1.321 1.00 31.71 C ATOM 77 CD2 PHE A 986 4.920 44.378 -1.341 1.00 29.99 C ATOM 78 CE1 PHE A 986 3.817 42.027 -0.412 1.00 32.17 C ATOM 79 CE2 PHE A 986 5.584 43.611 -0.402 1.00 32.88 C ATOM 80 CZ PHE A 986 5.036 42.439 0.067 1.00 33.69 C ATOM 81 H PHE A 986 4.299 43.813 -4.705 1.00 0.00 H ATOM 82 N ARG A 987 1.667 45.543 -5.829 1.00 24.76 N ATOM 83 CA ARG A 987 0.716 46.291 -6.695 1.00 24.16 C ATOM 84 C ARG A 987 -0.252 45.296 -7.336 1.00 22.17 C ATOM 85 O ARG A 987 -1.475 45.580 -7.346 1.00 21.33 O ATOM 86 CB ARG A 987 1.419 47.103 -7.782 1.00 25.66 C ATOM 87 CG ARG A 987 0.447 47.899 -8.644 1.00 27.44 C ATOM 88 CD ARG A 987 1.062 49.140 -9.269 1.00 28.94 C ATOM 89 NE ARG A 987 0.060 49.988 -9.889 1.00 28.94 N ATOM 90 CZ ARG A 987 -0.380 49.849 -11.135 1.00 28.26 C ATOM 91 NH1 ARG A 987 0.097 48.896 -11.925 1.00 26.64 N ATOM 92 NH2 ARG A 987 -1.283 50.694 -11.588 1.00 28.17 N ATOM 93 HE ARG A 987 -0.342 50.759 -9.318 1.00 0.00 H ATOM 94 HH12 ARG A 987 -0.258 48.801 -12.898 1.00 0.00 H ATOM 95 HH11 ARG A 987 0.826 48.244 -11.572 1.00 0.00 H ATOM 96 HH22 ARG A 987 -1.640 50.602 -12.560 1.00 0.00 H ATOM 97 HH21 ARG A 987 -1.639 51.453 -10.973 1.00 0.00 H ATOM 98 H ARG A 987 2.677 45.532 -6.077 1.00 0.00 H ATOM 99 N GLU A 988 0.257 44.160 -7.812 1.00 20.61 N ATOM 100 CA GLU A 988 -0.612 43.120 -8.405 1.00 20.62 C ATOM 101 C GLU A 988 -1.588 42.593 -7.357 1.00 19.39 C ATOM 102 O GLU A 988 -2.797 42.447 -7.672 1.00 16.75 O ATOM 103 CB GLU A 988 0.184 41.981 -9.037 1.00 23.40 C ATOM 104 CG GLU A 988 -0.736 40.962 -9.679 1.00 24.08 C ATOM 105 CD GLU A 988 -0.090 39.979 -10.630 1.00 25.45 C ATOM 106 OE1 GLU A 988 1.078 40.198 -11.040 1.00 25.57 O ATOM 107 OE2 GLU A 988 -0.772 38.999 -10.965 1.00 24.88 O ATOM 108 H GLU A 988 1.284 44.002 -7.766 1.00 0.00 H ATOM 109 N LEU A 989 -1.099 42.351 -6.138 1.00 19.17 N ATOM 110 CA LEU A 989 -1.958 41.912 -5.029 1.00 19.08 C ATOM 111 C LEU A 989 -3.078 42.937 -4.832 1.00 19.86 C ATOM 112 O LEU A 989 -4.243 42.504 -4.727 1.00 20.08 O ATOM 113 CB LEU A 989 -1.103 41.765 -3.765 1.00 22.34 C ATOM 114 CG LEU A 989 -1.881 41.484 -2.481 1.00 20.91 C ATOM 115 CD1 LEU A 989 -2.625 40.162 -2.589 1.00 21.45 C ATOM 116 CD2 LEU A 989 -0.944 41.502 -1.276 1.00 23.16 C ATOM 117 H LEU A 989 -0.081 42.477 -5.968 1.00 0.00 H ATOM 118 N ARG A 990 -2.771 44.236 -4.731 1.00 19.36 N ATOM 119 CA ARG A 990 -3.817 45.261 -4.442 1.00 20.01 C ATOM 120 C ARG A 990 -4.844 45.258 -5.591 1.00 19.15 C ATOM 121 O ARG A 990 -6.047 45.337 -5.311 1.00 18.74 O ATOM 122 CB ARG A 990 -3.201 46.653 -4.244 1.00 20.64 C ATOM 123 CG ARG A 990 -2.279 46.770 -3.035 1.00 22.44 C ATOM 124 CD ARG A 990 -1.967 48.224 -2.714 1.00 23.23 C ATOM 125 NE ARG A 990 -1.169 48.848 -3.772 1.00 24.58 N ATOM 126 CZ ARG A 990 0.154 48.822 -3.844 1.00 23.89 C ATOM 127 NH1 ARG A 990 0.861 48.184 -2.923 1.00 21.71 N ATOM 128 NH2 ARG A 990 0.757 49.416 -4.864 1.00 23.64 N ATOM 129 HE ARG A 990 -1.680 49.351 -4.525 1.00 0.00 H ATOM 130 HH12 ARG A 990 1.899 48.167 -2.984 1.00 0.00 H ATOM 131 HH11 ARG A 990 0.378 47.701 -2.139 1.00 0.00 H ATOM 132 HH22 ARG A 990 1.795 49.404 -4.934 1.00 0.00 H ATOM 133 HH21 ARG A 990 0.193 49.894 -5.595 1.00 0.00 H ATOM 134 H ARG A 990 -1.784 44.537 -4.856 1.00 0.00 H ATOM 135 N ILE A 991 -4.384 45.147 -6.848 1.00 18.26 N ATOM 136 CA ILE A 991 -5.285 45.085 -8.040 1.00 17.65 C ATOM 137 C ILE A 991 -6.228 43.890 -7.898 1.00 17.31 C ATOM 138 O ILE A 991 -7.455 44.067 -7.981 1.00 18.12 O ATOM 139 CB ILE A 991 -4.510 45.068 -9.361 1.00 17.30 C ATOM 140 CG1 ILE A 991 -3.782 46.394 -9.566 1.00 18.36 C ATOM 141 CG2 ILE A 991 -5.456 44.776 -10.506 1.00 17.20 C ATOM 142 CD1 ILE A 991 -2.766 46.354 -10.651 1.00 19.97 C ATOM 143 H ILE A 991 -3.356 45.102 -6.999 1.00 0.00 H ATOM 144 N PHE A 992 -5.679 42.728 -7.607 1.00 17.74 N ATOM 145 CA PHE A 992 -6.463 41.503 -7.324 1.00 17.48 C ATOM 146 C PHE A 992 -7.487 41.742 -6.202 1.00 17.53 C ATOM 147 O PHE A 992 -8.684 41.430 -6.384 1.00 16.64 O ATOM 148 CB PHE A 992 -5.505 40.362 -6.985 1.00 18.19 C ATOM 149 CG PHE A 992 -6.199 39.064 -6.672 1.00 18.64 C ATOM 150 CD1 PHE A 992 -6.863 38.377 -7.676 1.00 18.84 C ATOM 151 CD2 PHE A 992 -6.223 38.558 -5.376 1.00 18.57 C ATOM 152 CE1 PHE A 992 -7.490 37.179 -7.407 1.00 19.07 C ATOM 153 CE2 PHE A 992 -6.858 37.356 -5.117 1.00 18.63 C ATOM 154 CZ PHE A 992 -7.473 36.665 -6.133 1.00 18.89 C ATOM 155 H PHE A 992 -4.641 42.668 -7.574 1.00 0.00 H ATOM 156 N LEU A 993 -7.044 42.240 -5.040 1.00 17.41 N ATOM 157 CA LEU A 993 -7.925 42.438 -3.861 1.00 17.84 C ATOM 158 C LEU A 993 -9.057 43.431 -4.172 1.00 18.66 C ATOM 159 O LEU A 993 -10.190 43.161 -3.753 1.00 18.41 O ATOM 160 CB LEU A 993 -7.059 42.881 -2.674 1.00 19.05 C ATOM 161 CG LEU A 993 -6.119 41.808 -2.138 1.00 18.38 C ATOM 162 CD1 LEU A 993 -5.382 42.305 -0.900 1.00 20.54 C ATOM 163 CD2 LEU A 993 -6.863 40.509 -1.845 1.00 17.79 C ATOM 164 H LEU A 993 -6.040 42.499 -4.960 1.00 0.00 H ATOM 165 N ARG A 994 -8.796 44.509 -4.922 1.00 19.08 N ATOM 166 CA ARG A 994 -9.846 45.484 -5.302 1.00 20.33 C ATOM 167 C ARG A 994 -10.867 44.788 -6.206 1.00 20.16 C ATOM 168 O ARG A 994 -12.059 45.047 -6.061 1.00 20.74 O ATOM 169 CB ARG A 994 -9.298 46.707 -6.053 1.00 21.13 C ATOM 170 CG ARG A 994 -8.598 47.753 -5.205 1.00 22.69 C ATOM 171 CD ARG A 994 -8.185 48.950 -6.045 1.00 23.97 C ATOM 172 NE ARG A 994 -7.082 49.546 -5.325 1.00 24.20 N ATOM 173 CZ ARG A 994 -5.794 49.440 -5.592 1.00 23.94 C ATOM 174 NH1 ARG A 994 -5.352 48.848 -6.688 1.00 22.88 N ATOM 175 NH2 ARG A 994 -4.942 50.022 -4.764 1.00 27.10 N ATOM 176 HE ARG A 994 -7.333 50.127 -4.500 1.00 0.00 H ATOM 177 HH12 ARG A 994 -4.330 48.782 -6.867 1.00 0.00 H ATOM 178 HH11 ARG A 994 -6.027 48.448 -7.371 1.00 0.00 H ATOM 179 HH22 ARG A 994 -3.919 49.960 -4.942 1.00 0.00 H ATOM 180 HH21 ARG A 994 -5.295 50.542 -3.935 1.00 0.00 H ATOM 181 H ARG A 994 -7.822 44.668 -5.250 1.00 0.00 H ATOM 182 N ASN A 995 -10.408 43.974 -7.149 1.00 19.78 N ATOM 183 CA ASN A 995 -11.328 43.289 -8.083 1.00 20.02 C ATOM 184 C ASN A 995 -12.236 42.340 -7.290 1.00 18.75 C ATOM 185 O ASN A 995 -13.457 42.404 -7.461 1.00 17.64 O ATOM 186 CB ASN A 995 -10.577 42.627 -9.240 1.00 22.63 C ATOM 187 CG ASN A 995 -11.512 41.849 -10.142 1.00 23.47 C ATOM 188 OD1 ASN A 995 -11.707 40.674 -9.894 1.00 21.82 O ATOM 189 ND2 ASN A 995 -12.090 42.481 -11.169 1.00 28.67 N ATOM 190 HD22 ASN A 995 -11.891 43.487 -11.339 1.00 0.00 H ATOM 191 HD21 ASN A 995 -12.739 41.966 -11.798 1.00 0.00 H ATOM 192 H ASN A 995 -9.384 43.815 -7.232 1.00 0.00 H ATOM 193 N VAL A 996 -11.671 41.502 -6.427 1.00 18.67 N ATOM 194 CA VAL A 996 -12.483 40.572 -5.592 1.00 18.61 C ATOM 195 C VAL A 996 -13.462 41.386 -4.724 1.00 19.85 C ATOM 196 O VAL A 996 -14.698 41.018 -4.652 1.00 19.76 O ATOM 197 CB VAL A 996 -11.608 39.684 -4.703 1.00 17.52 C ATOM 198 CG1 VAL A 996 -12.469 38.872 -3.738 1.00 18.11 C ATOM 199 CG2 VAL A 996 -10.693 38.789 -5.518 1.00 17.21 C ATOM 200 H VAL A 996 -10.635 41.495 -6.332 1.00 0.00 H ATOM 201 N THR A 997 -12.963 42.425 -4.053 1.00 18.91 N ATOM 202 CA THR A 997 -13.793 43.255 -3.139 1.00 19.36 C ATOM 203 C THR A 997 -14.929 43.918 -3.937 1.00 20.54 C ATOM 204 O THR A 997 -16.085 43.946 -3.433 1.00 21.19 O ATOM 205 CB THR A 997 -12.917 44.220 -2.351 1.00 20.16 C ATOM 206 OG1 THR A 997 -11.855 43.491 -1.730 1.00 20.24 O ATOM 207 CG2 THR A 997 -13.710 44.956 -1.302 1.00 22.38 C ATOM 208 HG1 THR A 997 -11.313 43.042 -2.426 1.00 0.00 H ATOM 209 H THR A 997 -11.958 42.663 -4.173 1.00 0.00 H ATOM 210 N HIS A 998 -14.645 44.435 -5.135 1.00 19.13 N ATOM 211 CA HIS A 998 -15.679 45.070 -5.980 1.00 21.52 C ATOM 212 C HIS A 998 -16.788 44.059 -6.285 1.00 20.96 C ATOM 213 O HIS A 998 -17.966 44.433 -6.201 1.00 21.82 O ATOM 214 CB HIS A 998 -15.076 45.646 -7.267 1.00 24.19 C ATOM 215 CG HIS A 998 -16.086 46.200 -8.212 1.00 26.92 C ATOM 216 ND1 HIS A 998 -16.745 47.390 -7.964 1.00 29.74 N ATOM 217 CD2 HIS A 998 -16.546 45.749 -9.402 1.00 29.73 C ATOM 218 CE1 HIS A 998 -17.571 47.649 -8.964 1.00 30.37 C ATOM 219 NE2 HIS A 998 -17.459 46.660 -9.869 1.00 30.64 N ATOM 220 H HIS A 998 -13.667 44.390 -5.484 1.00 0.00 H ATOM 221 N ARG A 999 -16.430 42.821 -6.611 1.00 20.66 N ATOM 222 CA ARG A 999 -17.417 41.791 -6.990 1.00 21.58 C ATOM 223 C ARG A 999 -18.260 41.420 -5.781 1.00 21.62 C ATOM 224 O ARG A 999 -19.467 41.190 -5.974 1.00 21.30 O ATOM 225 CB ARG A 999 -16.728 40.577 -7.601 1.00 22.94 C ATOM 226 CG ARG A 999 -16.275 40.849 -9.024 1.00 24.23 C ATOM 227 CD ARG A 999 -15.013 40.071 -9.333 1.00 24.73 C ATOM 228 NE ARG A 999 -15.296 38.664 -9.507 1.00 24.61 N ATOM 229 CZ ARG A 999 -14.380 37.728 -9.689 1.00 23.54 C ATOM 230 NH1 ARG A 999 -13.100 38.049 -9.721 1.00 22.85 N ATOM 231 NH2 ARG A 999 -14.759 36.474 -9.866 1.00 23.49 N ATOM 232 HE ARG A 999 -16.292 38.366 -9.488 1.00 0.00 H ATOM 233 HH12 ARG A 999 -12.382 37.310 -9.864 1.00 0.00 H ATOM 234 HH11 ARG A 999 -12.809 39.041 -9.603 1.00 0.00 H ATOM 235 HH22 ARG A 999 -14.046 35.731 -10.010 1.00 0.00 H ATOM 236 HH21 ARG A 999 -15.770 36.231 -9.861 1.00 0.00 H ATOM 237 H ARG A 999 -15.421 42.570 -6.599 1.00 0.00 H ATOM 238 N LEU A1000 -17.689 41.451 -4.572 1.00 20.04 N ATOM 239 CA LEU A1000 -18.497 41.237 -3.339 1.00 20.03 C ATOM 240 C LEU A1000 -19.463 42.418 -3.143 1.00 21.74 C ATOM 241 O LEU A1000 -20.649 42.190 -2.845 1.00 20.65 O ATOM 242 CB LEU A1000 -17.563 41.082 -2.133 1.00 20.27 C ATOM 243 CG LEU A1000 -16.625 39.883 -2.200 1.00 19.65 C ATOM 244 CD1 LEU A1000 -15.718 39.824 -0.990 1.00 21.55 C ATOM 245 CD2 LEU A1000 -17.402 38.589 -2.349 1.00 20.11 C ATOM 246 H LEU A1000 -16.667 41.627 -4.492 1.00 0.00 H ATOM 247 N ALA A1001 -18.982 43.641 -3.350 1.00 22.84 N ATOM 248 CA ALA A1001 -19.686 44.878 -2.962 1.00 24.23 C ATOM 249 C ALA A1001 -20.876 45.126 -3.888 1.00 27.65 C ATOM 250 O ALA A1001 -21.821 45.763 -3.406 1.00 29.96 O ATOM 251 CB ALA A1001 -18.745 46.057 -2.938 1.00 25.39 C ATOM 252 H ALA A1001 -18.055 43.730 -3.813 1.00 0.00 H ATOM 253 N ILE A1002 -20.874 44.617 -5.122 1.00 25.93 N ATOM 254 CA ILE A1002 -22.004 44.878 -6.054 1.00 28.35 C ATOM 255 C ILE A1002 -23.023 43.753 -5.921 1.00 30.35 C ATOM 256 O ILE A1002 -24.070 43.845 -6.583 1.00 32.99 O ATOM 257 CB ILE A1002 -21.558 45.059 -7.516 1.00 30.21 C ATOM 258 CG1 ILE A1002 -20.895 43.797 -8.071 1.00 31.48 C ATOM 259 CG2 ILE A1002 -20.676 46.293 -7.634 1.00 30.85 C ATOM 260 CD1 ILE A1002 -20.398 43.927 -9.502 1.00 34.45 C ATOM 261 H ILE A1002 -20.074 44.031 -5.435 1.00 0.00 H ATOM 262 N ASP A1003 -22.751 42.745 -5.098 1.00 28.60 N ATOM 263 CA ASP A1003 -23.739 41.666 -4.870 1.00 29.35 C ATOM 264 C ASP A1003 -24.803 42.225 -3.915 1.00 29.06 C ATOM 265 O ASP A1003 -24.464 42.666 -2.772 1.00 28.71 O ATOM 266 CB ASP A1003 -23.073 40.365 -4.419 1.00 30.70 C ATOM 267 CG ASP A1003 -23.997 39.151 -4.401 1.00 30.43 C ATOM 268 OD1 ASP A1003 -25.162 39.259 -3.889 1.00 29.15 O ATOM 269 OD2 ASP A1003 -23.529 38.087 -4.867 1.00 29.86 O ATOM 270 H ASP A1003 -21.834 42.714 -4.609 1.00 0.00 H ATOM 271 N LYS A1004 -26.049 42.211 -4.379 1.00 29.91 N ATOM 272 CA LYS A1004 -27.213 42.777 -3.666 1.00 33.30 C ATOM 273 C LYS A1004 -27.320 42.146 -2.277 1.00 29.69 C ATOM 274 O LYS A1004 -27.701 42.859 -1.386 1.00 29.76 O ATOM 275 CB LYS A1004 -28.513 42.549 -4.446 1.00 40.35 C ATOM 276 CG LYS A1004 -28.974 43.748 -5.261 1.00 47.08 C ATOM 277 CD LYS A1004 -30.047 43.402 -6.295 1.00 56.27 C ATOM 278 CE LYS A1004 -30.013 44.314 -7.515 1.00 63.95 C ATOM 279 NZ LYS A1004 -30.648 43.702 -8.713 1.00 67.12 N ATOM 280 HZ1 LYS A1004 -30.147 42.824 -8.959 1.00 0.00 H ATOM 281 HZ2 LYS A1004 -31.644 43.488 -8.505 1.00 0.00 H ATOM 282 HZ3 LYS A1004 -30.595 44.368 -9.510 1.00 0.00 H ATOM 283 H LYS A1004 -26.216 41.772 -5.307 1.00 0.00 H ATOM 284 N ARG A1005 -27.017 40.856 -2.134 1.00 28.48 N ATOM 285 CA ARG A1005 -27.087 40.121 -0.849 1.00 28.28 C ATOM 286 C ARG A1005 -26.160 40.747 0.194 1.00 27.61 C ATOM 287 O ARG A1005 -26.471 40.576 1.383 1.00 25.19 O ATOM 288 CB ARG A1005 -26.682 38.658 -0.995 1.00 28.06 C ATOM 289 CG ARG A1005 -27.577 37.857 -1.920 1.00 29.66 C ATOM 290 CD ARG A1005 -26.987 36.486 -2.096 1.00 29.40 C ATOM 291 NE ARG A1005 -25.768 36.532 -2.885 1.00 29.60 N ATOM 292 CZ ARG A1005 -24.947 35.498 -3.044 1.00 30.25 C ATOM 293 NH1 ARG A1005 -25.210 34.345 -2.461 1.00 31.53 N ATOM 294 NH2 ARG A1005 -23.838 35.624 -3.748 1.00 31.66 N ATOM 295 HE ARG A1005 -25.523 37.427 -3.354 1.00 0.00 H ATOM 296 HH12 ARG A1005 -24.565 33.539 -2.588 1.00 0.00 H ATOM 297 HH11 ARG A1005 -26.062 34.242 -1.874 1.00 0.00 H ATOM 298 HH22 ARG A1005 -23.202 34.810 -3.867 1.00 0.00 H ATOM 299 HH21 ARG A1005 -23.600 36.538 -4.184 1.00 0.00 H ATOM 300 H ARG A1005 -26.712 40.331 -2.979 1.00 0.00 H ATOM 301 N PHE A1006 -25.098 41.447 -0.228 1.00 26.00 N ATOM 302 CA PHE A1006 -24.004 41.915 0.669 1.00 27.47 C ATOM 303 C PHE A1006 -24.061 43.432 0.887 1.00 28.47 C ATOM 304 O PHE A1006 -23.121 43.965 1.521 1.00 28.23 O ATOM 305 CB PHE A1006 -22.638 41.449 0.160 1.00 24.29 C ATOM 306 CG PHE A1006 -22.568 39.981 -0.176 1.00 24.23 C ATOM 307 CD1 PHE A1006 -23.269 39.043 0.567 1.00 24.18 C ATOM 308 CD2 PHE A1006 -21.813 39.534 -1.250 1.00 24.69 C ATOM 309 CE1 PHE A1006 -23.227 37.697 0.225 1.00 25.73 C ATOM 310 CE2 PHE A1006 -21.778 38.188 -1.595 1.00 25.59 C ATOM 311 CZ PHE A1006 -22.455 37.262 -0.832 1.00 24.43 C ATOM 312 H PHE A1006 -25.034 41.677 -1.240 1.00 0.00 H ATOM 313 N ARG A1007 -25.148 44.086 0.479 1.00 30.13 N ATOM 314 CA ARG A1007 -25.288 45.565 0.560 1.00 34.18 C ATOM 315 C ARG A1007 -25.043 46.003 2.005 1.00 34.03 C ATOM 316 O ARG A1007 -24.352 46.994 2.227 1.00 35.07 O ATOM 317 CB ARG A1007 -26.675 46.008 0.084 1.00 40.90 C ATOM 318 CG ARG A1007 -26.793 47.502 -0.193 1.00 47.70 C ATOM 319 CD ARG A1007 -28.222 48.000 -0.260 1.00 53.06 C ATOM 320 NE ARG A1007 -29.009 47.355 0.784 1.00 62.53 N ATOM 321 CZ ARG A1007 -28.906 47.589 2.098 1.00 68.01 C ATOM 322 NH1 ARG A1007 -28.056 48.490 2.573 1.00 71.83 N ATOM 323 NH2 ARG A1007 -29.670 46.911 2.940 1.00 64.63 N ATOM 324 HE ARG A1007 -29.712 46.651 0.481 1.00 0.00 H ATOM 325 HH12 ARG A1007 -27.993 48.656 3.598 1.00 0.00 H ATOM 326 HH11 ARG A1007 -27.453 49.031 1.921 1.00 0.00 H ATOM 327 HH22 ARG A1007 -29.598 47.085 3.963 1.00 0.00 H ATOM 328 HH21 ARG A1007 -30.342 46.204 2.579 1.00 0.00 H ATOM 329 H ARG A1007 -25.937 43.536 0.085 1.00 0.00 H ATOM 330 N VAL A1008 -25.603 45.275 2.955 1.00 31.63 N ATOM 331 CA VAL A1008 -25.485 45.629 4.391 1.00 35.27 C ATOM 332 C VAL A1008 -24.001 45.683 4.797 1.00 34.56 C ATOM 333 O VAL A1008 -23.679 46.468 5.675 1.00 33.45 O ATOM 334 CB VAL A1008 -26.294 44.651 5.259 1.00 40.27 C ATOM 335 CG1 VAL A1008 -25.752 43.230 5.207 1.00 41.04 C ATOM 336 CG2 VAL A1008 -26.375 45.142 6.690 1.00 47.30 C ATOM 337 H VAL A1008 -26.143 44.427 2.688 1.00 0.00 H ATOM 338 N PHE A1009 -23.116 44.923 4.145 1.00 32.74 N ATOM 339 CA PHE A1009 -21.675 44.863 4.501 1.00 30.08 C ATOM 340 C PHE A1009 -20.861 45.912 3.724 1.00 27.13 C ATOM 341 O PHE A1009 -19.632 45.910 3.847 1.00 25.04 O ATOM 342 CB PHE A1009 -21.162 43.440 4.298 1.00 29.77 C ATOM 343 CG PHE A1009 -22.009 42.366 4.940 1.00 30.37 C ATOM 344 CD1 PHE A1009 -22.211 42.324 6.312 1.00 31.06 C ATOM 345 CD2 PHE A1009 -22.583 41.369 4.166 1.00 31.44 C ATOM 346 CE1 PHE A1009 -22.978 41.320 6.890 1.00 32.17 C ATOM 347 CE2 PHE A1009 -23.349 40.369 4.741 1.00 31.65 C ATOM 348 CZ PHE A1009 -23.555 40.348 6.102 1.00 32.24 C ATOM 349 H PHE A1009 -23.453 44.345 3.349 1.00 0.00 H ATOM 350 N THR A1010 -21.494 46.789 2.938 1.00 28.86 N ATOM 351 CA THR A1010 -20.759 47.714 2.041 1.00 29.07 C ATOM 352 C THR A1010 -20.392 49.000 2.785 1.00 32.81 C ATOM 353 O THR A1010 -19.445 49.643 2.371 1.00 33.76 O ATOM 354 CB THR A1010 -21.540 48.016 0.771 1.00 30.39 C ATOM 355 OG1 THR A1010 -22.770 48.623 1.169 1.00 29.89 O ATOM 356 CG2 THR A1010 -21.769 46.762 -0.031 1.00 30.91 C ATOM 357 HG1 THR A1010 -23.273 47.997 1.748 1.00 0.00 H ATOM 358 H THR A1010 -22.533 46.824 2.956 1.00 0.00 H ATOM 359 N LYS A1011 -21.075 49.330 3.877 1.00 37.14 N ATOM 360 CA LYS A1011 -20.824 50.578 4.628 1.00 41.23 C ATOM 361 C LYS A1011 -20.671 50.217 6.093 1.00 40.25 C ATOM 362 O LYS A1011 -21.284 49.265 6.555 1.00 35.36 O ATOM 363 CB LYS A1011 -21.982 51.564 4.434 1.00 49.63 C ATOM 364 CG LYS A1011 -22.328 51.887 2.982 1.00 58.66 C ATOM 365 CD LYS A1011 -23.451 52.916 2.801 1.00 65.32 C ATOM 366 CE LYS A1011 -24.795 52.502 3.378 1.00 70.13 C ATOM 367 NZ LYS A1011 -25.297 51.214 2.831 1.00 72.80 N ATOM 368 HZ1 LYS A1011 -25.410 51.297 1.800 1.00 0.00 H ATOM 369 HZ2 LYS A1011 -24.616 50.458 3.047 1.00 0.00 H ATOM 370 HZ3 LYS A1011 -26.215 50.989 3.264 1.00 0.00 H ATOM 371 H LYS A1011 -21.816 48.684 4.216 1.00 0.00 H ATOM 372 N PRO A1012 -19.927 51.019 6.883 1.00 43.34 N ATOM 373 CA PRO A1012 -19.873 50.827 8.328 1.00 45.33 C ATOM 374 C PRO A1012 -21.290 50.950 8.909 1.00 46.25 C ATOM 375 O PRO A1012 -22.109 51.636 8.321 1.00 46.11 O ATOM 376 CB PRO A1012 -18.982 51.975 8.833 1.00 49.36 C ATOM 377 CG PRO A1012 -18.258 52.479 7.593 1.00 49.53 C ATOM 378 CD PRO A1012 -19.204 52.218 6.443 1.00 45.90 C ATOM 379 N VAL A1013 -21.573 50.262 10.012 1.00 47.56 N ATOM 380 CA VAL A1013 -22.860 50.429 10.751 1.00 52.86 C ATOM 381 C VAL A1013 -22.969 51.909 11.156 1.00 61.23 C ATOM 382 O VAL A1013 -22.054 52.401 11.842 1.00 61.64 O ATOM 383 CB VAL A1013 -22.957 49.486 11.968 1.00 51.32 C ATOM 384 CG1 VAL A1013 -24.199 49.767 12.798 1.00 51.23 C ATOM 385 CG2 VAL A1013 -22.937 48.022 11.557 1.00 49.97 C ATOM 386 H VAL A1013 -20.872 49.583 10.373 1.00 0.00 H ATOM 387 N ASP A1014 -24.027 52.610 10.737 1.00 68.45 N ATOM 388 CA ASP A1014 -24.219 54.052 11.061 1.00 76.58 C ATOM 389 C ASP A1014 -24.477 54.200 12.564 1.00 77.85 C ATOM 390 O ASP A1014 -25.477 53.673 13.058 1.00 77.08 O ATOM 391 CB ASP A1014 -25.346 54.665 10.226 1.00 80.30 C ATOM 392 CG ASP A1014 -25.640 56.121 10.559 1.00 83.61 C ATOM 393 OD1 ASP A1014 -24.700 56.851 10.908 1.00 83.04 O ATOM 394 OD2 ASP A1014 -26.815 56.511 10.476 1.00 91.16 O ATOM 395 H ASP A1014 -24.747 52.129 10.161 1.00 0.00 H ATOM 396 N PRO A1015 -23.602 54.912 13.329 1.00 76.60 N ATOM 397 CA PRO A1015 -23.748 55.032 14.786 1.00 82.78 C ATOM 398 C PRO A1015 -25.096 55.630 15.221 1.00 93.59 C ATOM 399 O PRO A1015 -25.624 55.228 16.257 1.00 93.06 O ATOM 400 CB PRO A1015 -22.611 55.972 15.214 1.00 81.05 C ATOM 401 CG PRO A1015 -22.190 56.666 13.934 1.00 78.34 C ATOM 402 CD PRO A1015 -22.427 55.650 12.838 1.00 72.06 C ATOM 403 N ASP A1016 -25.611 56.570 14.421 1.00 99.53 N ATOM 404 CA ASP A1016 -26.957 57.172 14.599 1.00 97.91 C ATOM 405 C ASP A1016 -27.957 56.017 14.641 1.00 96.92 C ATOM 406 O ASP A1016 -28.502 55.756 15.730 1.00105.71 O ATOM 407 CB ASP A1016 -27.266 58.203 13.508 1.00 95.91 C ATOM 408 CG ASP A1016 -26.148 59.212 13.295 1.00 96.00 C ATOM 409 OD1 ASP A1016 -25.729 59.850 14.284 1.00 90.74 O ATOM 410 OD2 ASP A1016 -25.684 59.327 12.147 1.00 98.96 O ATOM 411 H ASP A1016 -25.032 56.901 13.623 1.00 0.00 H ATOM 412 N GLU A1017 -28.116 55.302 13.525 1.00 91.51 N ATOM 413 CA GLU A1017 -29.099 54.194 13.398 1.00 92.79 C ATOM 414 C GLU A1017 -28.837 53.142 14.484 1.00 91.16 C ATOM 415 O GLU A1017 -29.827 52.665 15.072 1.00101.80 O ATOM 416 CB GLU A1017 -29.090 53.594 11.991 1.00 93.35 C ATOM 417 CG GLU A1017 -30.221 54.120 11.129 1.00 96.05 C ATOM 418 CD GLU A1017 -30.039 53.874 9.645 1.00104.71 C ATOM 419 OE1 GLU A1017 -30.939 53.262 9.038 1.00110.82 O ATOM 420 OE2 GLU A1017 -28.999 54.299 9.101 1.00108.54 O ATOM 421 H GLU A1017 -27.522 55.532 12.703 1.00 0.00 H ATOM 422 N VAL A1018 -27.575 52.799 14.763 1.00 84.05 N ATOM 423 CA VAL A1018 -27.236 51.718 15.738 1.00 78.27 C ATOM 424 C VAL A1018 -26.235 52.250 16.755 1.00 75.24 C ATOM 425 O VAL A1018 -25.034 52.283 16.500 1.00 71.87 O ATOM 426 CB VAL A1018 -26.709 50.448 15.047 1.00 76.01 C ATOM 427 CG1 VAL A1018 -26.531 49.311 16.041 1.00 76.63 C ATOM 428 CG2 VAL A1018 -27.605 50.013 13.896 1.00 77.59 C ATOM 429 H VAL A1018 -26.801 53.303 14.284 1.00 0.00 H ATOM 430 N PRO A1019 -26.701 52.610 17.971 1.00 82.52 N ATOM 431 CA PRO A1019 -25.832 53.221 18.975 1.00 79.17 C ATOM 432 C PRO A1019 -24.871 52.205 19.616 1.00 70.12 C ATOM 433 O PRO A1019 -23.728 52.529 19.778 1.00 64.59 O ATOM 434 CB PRO A1019 -26.829 53.779 20.003 1.00 81.67 C ATOM 435 CG PRO A1019 -28.022 52.840 19.919 1.00 82.30 C ATOM 436 CD PRO A1019 -28.067 52.373 18.476 1.00 81.63 C ATOM 437 N ASP A1020 -25.344 50.992 19.923 1.00 70.81 N ATOM 438 CA ASP A1020 -24.582 50.000 20.729 1.00 74.01 C ATOM 439 C ASP A1020 -23.620 49.195 19.842 1.00 67.56 C ATOM 440 O ASP A1020 -22.960 48.300 20.390 1.00 71.26 O ATOM 441 CB ASP A1020 -25.512 49.100 21.558 1.00 78.74 C ATOM 442 CG ASP A1020 -26.256 48.029 20.780 1.00 85.24 C ATOM 443 OD1 ASP A1020 -27.121 48.398 19.964 1.00102.53 O ATOM 444 OD2 ASP A1020 -25.979 46.832 21.004 1.00 80.86 O ATOM 445 H ASP A1020 -26.291 50.729 19.582 1.00 0.00 H ATOM 446 N TYR A1021 -23.490 49.482 18.547 1.00 58.73 N ATOM 447 CA TYR A1021 -22.632 48.632 17.682 1.00 59.03 C ATOM 448 C TYR A1021 -21.174 48.781 18.137 1.00 58.94 C ATOM 449 O TYR A1021 -20.569 47.772 18.553 1.00 54.43 O ATOM 450 CB TYR A1021 -22.804 48.920 16.187 1.00 53.78 C ATOM 451 CG TYR A1021 -22.246 47.812 15.330 1.00 49.69 C ATOM 452 CD1 TYR A1021 -22.946 46.631 15.150 1.00 47.96 C ATOM 453 CD2 TYR A1021 -20.994 47.920 14.745 1.00 48.20 C ATOM 454 CE1 TYR A1021 -22.434 45.598 14.382 1.00 47.46 C ATOM 455 CE2 TYR A1021 -20.459 46.892 13.986 1.00 45.10 C ATOM 456 CZ TYR A1021 -21.189 45.734 13.792 1.00 43.33 C ATOM 457 OH TYR A1021 -20.673 44.706 13.076 1.00 39.94 O ATOM 458 HH TYR A1021 -20.472 45.014 12.157 1.00 0.00 H ATOM 459 H TYR A1021 -23.989 50.300 18.142 1.00 0.00 H ATOM 460 N VAL A1022 -20.654 50.008 18.096 1.00 61.86 N ATOM 461 CA VAL A1022 -19.240 50.341 18.444 1.00 68.25 C ATOM 462 C VAL A1022 -18.907 49.811 19.851 1.00 65.52 C ATOM 463 O VAL A1022 -17.738 49.430 20.067 1.00 64.62 O ATOM 464 CB VAL A1022 -18.976 51.855 18.297 1.00 77.78 C ATOM 465 CG1 VAL A1022 -17.736 52.313 19.054 1.00 83.29 C ATOM 466 CG2 VAL A1022 -18.869 52.256 16.831 1.00 75.02 C ATOM 467 H VAL A1022 -21.276 50.788 17.801 1.00 0.00 H ATOM 468 N THR A1023 -19.874 49.756 20.773 1.00 62.92 N ATOM 469 CA THR A1023 -19.643 49.231 22.148 1.00 64.47 C ATOM 470 C THR A1023 -19.576 47.694 22.115 1.00 60.08 C ATOM 471 O THR A1023 -18.738 47.135 22.830 1.00 59.55 O ATOM 472 CB THR A1023 -20.653 49.794 23.163 1.00 69.81 C ATOM 473 OG1 THR A1023 -21.945 49.211 22.967 1.00 73.35 O ATOM 474 CG2 THR A1023 -20.744 51.305 23.110 1.00 70.09 C ATOM 475 HG1 THR A1023 -22.262 49.415 22.052 1.00 0.00 H ATOM 476 H THR A1023 -20.825 50.093 20.520 1.00 0.00 H ATOM 477 N VAL A1024 -20.397 47.026 21.302 1.00 58.57 N ATOM 478 CA VAL A1024 -20.475 45.532 21.264 1.00 56.50 C ATOM 479 C VAL A1024 -19.373 44.979 20.350 1.00 51.99 C ATOM 480 O VAL A1024 -18.658 44.053 20.773 1.00 55.14 O ATOM 481 CB VAL A1024 -21.864 45.031 20.821 1.00 59.45 C ATOM 482 CG1 VAL A1024 -21.881 43.520 20.610 1.00 58.05 C ATOM 483 CG2 VAL A1024 -22.943 45.446 21.810 1.00 59.39 C ATOM 484 H VAL A1024 -21.012 47.570 20.664 1.00 0.00 H ATOM 485 N ILE A1025 -19.264 45.481 19.122 1.00 46.57 N ATOM 486 CA ILE A1025 -18.269 44.961 18.144 1.00 43.53 C ATOM 487 C ILE A1025 -16.993 45.800 18.268 1.00 44.87 C ATOM 488 O ILE A1025 -17.017 47.006 17.945 1.00 47.38 O ATOM 489 CB ILE A1025 -18.843 44.913 16.711 1.00 41.03 C ATOM 490 CG1 ILE A1025 -20.068 43.997 16.635 1.00 42.28 C ATOM 491 CG2 ILE A1025 -17.771 44.477 15.731 1.00 37.27 C ATOM 492 CD1 ILE A1025 -19.828 42.598 17.177 1.00 41.55 C ATOM 493 H ILE A1025 -19.892 46.259 18.837 1.00 0.00 H ATOM 494 N LYS A1026 -15.925 45.176 18.756 1.00 44.21 N ATOM 495 CA LYS A1026 -14.676 45.875 19.153 1.00 46.55 C ATOM 496 C LYS A1026 -13.866 46.223 17.908 1.00 46.79 C ATOM 497 O LYS A1026 -13.056 47.162 17.973 1.00 50.46 O ATOM 498 CB LYS A1026 -13.864 44.971 20.077 1.00 48.49 C ATOM 499 CG LYS A1026 -14.514 44.742 21.430 1.00 51.84 C ATOM 500 CD LYS A1026 -14.884 46.034 22.112 1.00 54.21 C ATOM 501 CE LYS A1026 -15.793 45.822 23.300 1.00 58.27 C ATOM 502 NZ LYS A1026 -16.194 47.112 23.913 1.00 60.53 N ATOM 503 HZ1 LYS A1026 -15.345 47.621 24.233 1.00 0.00 H ATOM 504 HZ2 LYS A1026 -16.699 47.687 23.209 1.00 0.00 H ATOM 505 HZ3 LYS A1026 -16.817 46.930 24.725 1.00 0.00 H ATOM 506 H LYS A1026 -15.966 44.143 18.866 1.00 0.00 H ATOM 507 N GLN A1027 -14.086 45.481 16.829 1.00 41.52 N ATOM 508 CA GLN A1027 -13.278 45.578 15.605 1.00 43.02 C ATOM 509 C GLN A1027 -14.229 45.621 14.415 1.00 40.73 C ATOM 510 O GLN A1027 -14.328 44.668 13.652 1.00 39.01 O ATOM 511 CB GLN A1027 -12.322 44.394 15.619 1.00 45.80 C ATOM 512 CG GLN A1027 -10.976 44.732 15.031 1.00 48.83 C ATOM 513 CD GLN A1027 -10.004 43.587 15.175 1.00 50.29 C ATOM 514 OE1 GLN A1027 -10.278 42.558 15.800 1.00 51.98 O ATOM 515 NE2 GLN A1027 -8.845 43.781 14.589 1.00 43.10 N ATOM 516 HE22 GLN A1027 -8.664 44.667 14.074 1.00 0.00 H ATOM 517 HE21 GLN A1027 -8.108 43.049 14.639 1.00 0.00 H ATOM 518 H GLN A1027 -14.869 44.797 16.851 1.00 0.00 H ATOM 519 N PRO A1028 -14.942 46.744 14.210 1.00 40.66 N ATOM 520 CA PRO A1028 -15.896 46.846 13.117 1.00 40.02 C ATOM 521 C PRO A1028 -15.118 46.641 11.816 1.00 36.80 C ATOM 522 O PRO A1028 -13.977 47.053 11.718 1.00 34.65 O ATOM 523 CB PRO A1028 -16.448 48.274 13.196 1.00 41.50 C ATOM 524 CG PRO A1028 -16.070 48.757 14.581 1.00 44.55 C ATOM 525 CD PRO A1028 -14.807 48.008 14.949 1.00 44.90 C ATOM 526 N MET A1029 -15.734 45.976 10.857 1.00 32.12 N ATOM 527 CA MET A1029 -15.118 45.791 9.525 1.00 29.85 C ATOM 528 C MET A1029 -16.260 45.708 8.520 1.00 29.11 C ATOM 529 O MET A1029 -17.328 45.139 8.864 1.00 28.06 O ATOM 530 CB MET A1029 -14.259 44.523 9.472 1.00 29.76 C ATOM 531 CG MET A1029 -13.434 44.338 8.191 1.00 28.52 C ATOM 532 SD MET A1029 -12.425 45.758 7.765 1.00 30.06 S ATOM 533 CE MET A1029 -11.498 45.964 9.289 1.00 32.24 C ATOM 534 H MET A1029 -16.675 45.573 11.042 1.00 0.00 H ATOM 535 N ASP A1030 -16.035 46.303 7.361 1.00 28.31 N ATOM 536 CA ASP A1030 -16.983 46.282 6.229 1.00 29.56 C ATOM 537 C ASP A1030 -16.171 46.428 4.936 1.00 25.06 C ATOM 538 O ASP A1030 -14.958 46.695 4.997 1.00 22.92 O ATOM 539 CB ASP A1030 -18.007 47.400 6.424 1.00 31.82 C ATOM 540 CG ASP A1030 -17.390 48.765 6.204 1.00 34.10 C ATOM 541 OD1 ASP A1030 -16.768 49.289 7.148 1.00 37.55 O ATOM 542 OD2 ASP A1030 -17.495 49.263 5.082 1.00 32.27 O ATOM 543 H ASP A1030 -15.138 46.816 7.239 1.00 0.00 H ATOM 544 N LEU A1031 -16.836 46.323 3.801 1.00 25.19 N ATOM 545 CA LEU A1031 -16.146 46.289 2.487 1.00 25.16 C ATOM 546 C LEU A1031 -15.574 47.669 2.128 1.00 25.45 C ATOM 547 O LEU A1031 -14.587 47.703 1.378 1.00 23.06 O ATOM 548 CB LEU A1031 -17.111 45.761 1.428 1.00 25.37 C ATOM 549 CG LEU A1031 -17.550 44.322 1.677 1.00 26.57 C ATOM 550 CD1 LEU A1031 -18.624 43.890 0.687 1.00 27.72 C ATOM 551 CD2 LEU A1031 -16.353 43.386 1.649 1.00 24.44 C ATOM 552 H LEU A1031 -17.874 46.262 3.828 1.00 0.00 H ATOM 553 N SER A1032 -16.151 48.761 2.630 1.00 27.43 N ATOM 554 CA SER A1032 -15.609 50.121 2.391 1.00 31.26 C ATOM 555 C SER A1032 -14.267 50.252 3.110 1.00 30.50 C ATOM 556 O SER A1032 -13.344 50.822 2.500 1.00 33.85 O ATOM 557 CB SER A1032 -16.589 51.214 2.800 1.00 31.44 C ATOM 558 OG SER A1032 -16.816 51.228 4.205 1.00 31.17 O ATOM 559 HG SER A1032 -17.190 50.356 4.486 1.00 0.00 H ATOM 560 H SER A1032 -17.009 48.656 3.208 1.00 0.00 H ATOM 561 N SER A1033 -14.157 49.706 4.324 1.00 27.92 N ATOM 562 CA SER A1033 -12.911 49.726 5.125 1.00 28.97 C ATOM 563 C SER A1033 -11.882 48.836 4.452 1.00 25.97 C ATOM 564 O SER A1033 -10.696 49.225 4.449 1.00 24.63 O ATOM 565 CB SER A1033 -13.131 49.294 6.536 1.00 31.41 C ATOM 566 OG SER A1033 -14.115 50.117 7.133 1.00 36.36 O ATOM 567 HG SER A1033 -14.962 50.037 6.627 1.00 0.00 H ATOM 568 H SER A1033 -14.994 49.240 4.730 1.00 0.00 H ATOM 569 N VAL A1034 -12.325 47.705 3.902 1.00 23.48 N ATOM 570 CA VAL A1034 -11.405 46.775 3.184 1.00 23.26 C ATOM 571 C VAL A1034 -10.817 47.532 1.997 1.00 22.37 C ATOM 572 O VAL A1034 -9.572 47.491 1.850 1.00 22.51 O ATOM 573 CB VAL A1034 -12.075 45.446 2.802 1.00 22.71 C ATOM 574 CG1 VAL A1034 -11.194 44.619 1.892 1.00 23.30 C ATOM 575 CG2 VAL A1034 -12.456 44.642 4.048 1.00 24.70 C ATOM 576 H VAL A1034 -13.334 47.466 3.975 1.00 0.00 H ATOM 577 N ILE A1035 -11.627 48.265 1.237 1.00 23.22 N ATOM 578 CA ILE A1035 -11.106 49.082 0.093 1.00 26.13 C ATOM 579 C ILE A1035 -10.067 50.092 0.612 1.00 26.07 C ATOM 580 O ILE A1035 -8.998 50.203 0.005 1.00 23.94 O ATOM 581 CB ILE A1035 -12.235 49.789 -0.677 1.00 27.46 C ATOM 582 CG1 ILE A1035 -13.155 48.795 -1.376 1.00 30.08 C ATOM 583 CG2 ILE A1035 -11.655 50.790 -1.666 1.00 28.49 C ATOM 584 CD1 ILE A1035 -12.435 47.975 -2.398 1.00 33.66 C ATOM 585 H ILE A1035 -12.647 48.271 1.442 1.00 0.00 H ATOM 586 N SER A1036 -10.379 50.837 1.676 1.00 26.25 N ATOM 587 CA SER A1036 -9.439 51.826 2.259 1.00 27.52 C ATOM 588 C SER A1036 -8.134 51.130 2.665 1.00 27.08 C ATOM 589 O SER A1036 -7.073 51.667 2.359 1.00 27.86 O ATOM 590 CB SER A1036 -10.041 52.525 3.433 1.00 29.39 C ATOM 591 OG SER A1036 -11.247 53.133 3.033 1.00 31.78 O ATOM 592 HG SER A1036 -11.653 53.599 3.807 1.00 0.00 H ATOM 593 H SER A1036 -11.316 50.719 2.112 1.00 0.00 H ATOM 594 N LYS A1037 -8.216 49.968 3.329 1.00 25.62 N ATOM 595 CA LYS A1037 -7.016 49.237 3.798 1.00 24.41 C ATOM 596 C LYS A1037 -6.185 48.784 2.582 1.00 22.62 C ATOM 597 O LYS A1037 -4.959 48.943 2.593 1.00 20.70 O ATOM 598 CB LYS A1037 -7.433 48.119 4.743 1.00 23.66 C ATOM 599 CG LYS A1037 -7.966 48.643 6.076 1.00 27.47 C ATOM 600 CD LYS A1037 -8.250 47.552 7.091 1.00 28.95 C ATOM 601 CE LYS A1037 -6.987 46.787 7.449 1.00 29.50 C ATOM 602 NZ LYS A1037 -7.200 45.846 8.570 1.00 29.66 N ATOM 603 HZ1 LYS A1037 -7.507 46.375 9.411 1.00 0.00 H ATOM 604 HZ2 LYS A1037 -7.932 45.156 8.307 1.00 0.00 H ATOM 605 HZ3 LYS A1037 -6.311 45.348 8.777 1.00 0.00 H ATOM 606 H LYS A1037 -9.155 49.566 3.522 1.00 0.00 H ATOM 607 N ILE A1038 -6.817 48.281 1.536 1.00 20.44 N ATOM 608 CA ILE A1038 -6.059 47.897 0.322 1.00 20.09 C ATOM 609 C ILE A1038 -5.213 49.086 -0.113 1.00 20.04 C ATOM 610 O ILE A1038 -4.016 48.933 -0.311 1.00 19.65 O ATOM 611 CB ILE A1038 -6.992 47.434 -0.801 1.00 20.34 C ATOM 612 CG1 ILE A1038 -7.674 46.111 -0.452 1.00 20.35 C ATOM 613 CG2 ILE A1038 -6.175 47.336 -2.075 1.00 20.92 C ATOM 614 CD1 ILE A1038 -8.834 45.744 -1.357 1.00 23.06 C ATOM 615 H ILE A1038 -7.849 48.154 1.565 1.00 0.00 H ATOM 616 N ASP A1039 -5.854 50.233 -0.237 1.00 22.30 N ATOM 617 CA ASP A1039 -5.272 51.480 -0.777 1.00 25.27 C ATOM 618 C ASP A1039 -4.176 52.006 0.150 1.00 25.54 C ATOM 619 O ASP A1039 -3.224 52.610 -0.360 1.00 24.89 O ATOM 620 CB ASP A1039 -6.406 52.462 -1.065 1.00 27.71 C ATOM 621 CG ASP A1039 -7.191 52.100 -2.325 1.00 29.76 C ATOM 622 OD1 ASP A1039 -6.784 51.173 -2.997 1.00 27.62 O ATOM 623 OD2 ASP A1039 -8.197 52.765 -2.622 1.00 32.96 O ATOM 624 H ASP A1039 -6.847 50.262 0.070 1.00 0.00 H ATOM 625 N LEU A1040 -4.258 51.740 1.456 1.00 26.03 N ATOM 626 CA LEU A1040 -3.205 52.171 2.412 1.00 27.20 C ATOM 627 C LEU A1040 -2.128 51.093 2.493 1.00 28.30 C ATOM 628 O LEU A1040 -1.236 51.203 3.358 1.00 30.84 O ATOM 629 CB LEU A1040 -3.843 52.449 3.769 1.00 26.89 C ATOM 630 CG LEU A1040 -4.715 53.699 3.800 1.00 28.25 C ATOM 631 CD1 LEU A1040 -5.608 53.687 5.023 1.00 29.49 C ATOM 632 CD2 LEU A1040 -3.874 54.959 3.752 1.00 30.71 C ATOM 633 H LEU A1040 -5.082 51.216 1.814 1.00 0.00 H ATOM 634 N HIS A1041 -2.170 50.094 1.612 1.00 26.88 N ATOM 635 CA HIS A1041 -1.135 49.028 1.535 1.00 26.72 C ATOM 636 C HIS A1041 -1.122 48.191 2.825 1.00 26.51 C ATOM 637 O HIS A1041 -0.074 47.684 3.169 1.00 27.23 O ATOM 638 CB HIS A1041 0.255 49.619 1.265 1.00 27.82 C ATOM 639 CG HIS A1041 0.349 50.375 -0.012 1.00 28.24 C ATOM 640 ND1 HIS A1041 1.552 50.773 -0.527 1.00 30.34 N ATOM 641 CD2 HIS A1041 -0.592 50.792 -0.882 1.00 29.11 C ATOM 642 CE1 HIS A1041 1.349 51.413 -1.663 1.00 31.36 C ATOM 643 NE2 HIS A1041 0.041 51.443 -1.901 1.00 29.47 N ATOM 644 H HIS A1041 -2.967 50.058 0.944 1.00 0.00 H ATOM 645 N LYS A1042 -2.259 48.009 3.481 1.00 25.79 N ATOM 646 CA LYS A1042 -2.343 47.282 4.767 1.00 27.89 C ATOM 647 C LYS A1042 -2.325 45.777 4.523 1.00 27.52 C ATOM 648 O LYS A1042 -2.076 45.041 5.456 1.00 27.05 O ATOM 649 CB LYS A1042 -3.628 47.649 5.491 1.00 31.15 C ATOM 650 CG LYS A1042 -3.685 49.094 5.939 1.00 36.97 C ATOM 651 CD LYS A1042 -2.657 49.428 6.977 1.00 42.46 C ATOM 652 CE LYS A1042 -2.882 50.786 7.613 1.00 52.26 C ATOM 653 NZ LYS A1042 -1.649 51.265 8.282 1.00 60.06 N ATOM 654 HZ1 LYS A1042 -1.373 50.589 9.023 1.00 0.00 H ATOM 655 HZ2 LYS A1042 -0.885 51.345 7.581 1.00 0.00 H ATOM 656 HZ3 LYS A1042 -1.827 52.196 8.710 1.00 0.00 H ATOM 657 H LYS A1042 -3.134 48.396 3.073 1.00 0.00 H ATOM 658 N TYR A1043 -2.626 45.315 3.318 1.00 25.75 N ATOM 659 CA TYR A1043 -2.644 43.867 3.014 1.00 24.90 C ATOM 660 C TYR A1043 -1.396 43.574 2.199 1.00 26.46 C ATOM 661 O TYR A1043 -1.282 44.148 1.089 1.00 28.48 O ATOM 662 CB TYR A1043 -3.919 43.473 2.268 1.00 23.94 C ATOM 663 CG TYR A1043 -5.193 43.826 2.982 1.00 23.37 C ATOM 664 CD1 TYR A1043 -5.472 43.323 4.244 1.00 23.69 C ATOM 665 CD2 TYR A1043 -6.140 44.646 2.382 1.00 21.88 C ATOM 666 CE1 TYR A1043 -6.641 43.660 4.912 1.00 22.96 C ATOM 667 CE2 TYR A1043 -7.310 44.985 3.027 1.00 21.71 C ATOM 668 CZ TYR A1043 -7.572 44.481 4.291 1.00 22.75 C ATOM 669 OH TYR A1043 -8.757 44.809 4.891 1.00 20.96 O ATOM 670 HH TYR A1043 -8.804 44.380 5.782 1.00 0.00 H ATOM 671 H TYR A1043 -2.857 45.991 2.562 1.00 0.00 H ATOM 672 N LEU A1044 -0.501 42.745 2.741 1.00 25.67 N ATOM 673 CA LEU A1044 0.689 42.237 2.012 1.00 28.76 C ATOM 674 C LEU A1044 0.448 40.794 1.556 1.00 25.98 C ATOM 675 O LEU A1044 1.259 40.299 0.767 1.00 25.47 O ATOM 676 CB LEU A1044 1.927 42.340 2.917 1.00 33.76 C ATOM 677 CG LEU A1044 2.436 43.753 3.236 1.00 37.30 C ATOM 678 CD1 LEU A1044 3.867 43.700 3.768 1.00 38.19 C ATOM 679 CD2 LEU A1044 2.383 44.668 2.019 1.00 37.03 C ATOM 680 H LEU A1044 -0.644 42.439 3.725 1.00 0.00 H ATOM 681 N THR A1045 -0.617 40.143 2.028 1.00 22.78 N ATOM 682 CA THR A1045 -0.953 38.753 1.635 1.00 23.33 C ATOM 683 C THR A1045 -2.461 38.633 1.502 1.00 22.62 C ATOM 684 O THR A1045 -3.153 39.444 2.137 1.00 21.42 O ATOM 685 CB THR A1045 -0.448 37.735 2.659 1.00 23.90 C ATOM 686 OG1 THR A1045 -1.181 37.860 3.869 1.00 24.26 O ATOM 687 CG2 THR A1045 1.010 37.926 2.974 1.00 24.57 C ATOM 688 HG1 THR A1045 -0.848 37.198 4.525 1.00 0.00 H ATOM 689 H THR A1045 -1.240 40.633 2.702 1.00 0.00 H ATOM 690 N VAL A1046 -2.939 37.688 0.691 1.00 21.81 N ATOM 691 CA VAL A1046 -4.398 37.370 0.629 1.00 22.11 C ATOM 692 C VAL A1046 -4.839 36.774 1.970 1.00 23.39 C ATOM 693 O VAL A1046 -6.002 36.990 2.370 1.00 23.42 O ATOM 694 CB VAL A1046 -4.731 36.434 -0.532 1.00 21.63 C ATOM 695 CG1 VAL A1046 -6.209 36.085 -0.512 1.00 21.17 C ATOM 696 CG2 VAL A1046 -4.322 37.061 -1.864 1.00 22.24 C ATOM 697 H VAL A1046 -2.279 37.159 0.086 1.00 0.00 H ATOM 698 N LYS A1047 -3.951 36.073 2.662 1.00 25.33 N ATOM 699 CA LYS A1047 -4.237 35.590 4.041 1.00 29.68 C ATOM 700 C LYS A1047 -4.696 36.767 4.926 1.00 28.91 C ATOM 701 O LYS A1047 -5.679 36.630 5.688 1.00 30.11 O ATOM 702 CB LYS A1047 -3.017 34.843 4.582 1.00 34.09 C ATOM 703 CG LYS A1047 -3.281 33.946 5.779 1.00 42.67 C ATOM 704 CD LYS A1047 -2.074 33.146 6.224 1.00 51.34 C ATOM 705 CE LYS A1047 -2.329 32.428 7.536 1.00 63.07 C ATOM 706 NZ LYS A1047 -1.173 31.597 7.955 1.00 72.89 N ATOM 707 HZ1 LYS A1047 -0.981 30.880 7.226 1.00 0.00 H ATOM 708 HZ2 LYS A1047 -0.337 32.204 8.076 1.00 0.00 H ATOM 709 HZ3 LYS A1047 -1.394 31.127 8.856 1.00 0.00 H ATOM 710 H LYS A1047 -3.030 35.855 2.230 1.00 0.00 H ATOM 711 N ASP A1048 -4.030 37.907 4.846 1.00 29.82 N ATOM 712 CA ASP A1048 -4.330 39.055 5.739 1.00 28.78 C ATOM 713 C ASP A1048 -5.677 39.677 5.360 1.00 25.86 C ATOM 714 O ASP A1048 -6.442 40.085 6.248 1.00 22.92 O ATOM 715 CB ASP A1048 -3.177 40.062 5.706 1.00 32.34 C ATOM 716 CG ASP A1048 -1.970 39.587 6.511 1.00 35.93 C ATOM 717 OD1 ASP A1048 -2.079 38.539 7.162 1.00 36.60 O ATOM 718 OD2 ASP A1048 -0.929 40.238 6.448 1.00 36.91 O ATOM 719 H ASP A1048 -3.275 38.002 4.137 1.00 0.00 H ATOM 720 N TYR A1049 -5.942 39.781 4.061 1.00 23.95 N ATOM 721 CA TYR A1049 -7.234 40.235 3.508 1.00 21.69 C ATOM 722 C TYR A1049 -8.356 39.322 4.000 1.00 22.43 C ATOM 723 O TYR A1049 -9.388 39.831 4.439 1.00 22.62 O ATOM 724 CB TYR A1049 -7.147 40.200 1.984 1.00 19.88 C ATOM 725 CG TYR A1049 -8.434 40.427 1.259 1.00 19.81 C ATOM 726 CD1 TYR A1049 -8.872 41.708 0.965 1.00 19.42 C ATOM 727 CD2 TYR A1049 -9.188 39.361 0.813 1.00 19.78 C ATOM 728 CE1 TYR A1049 -10.064 41.909 0.291 1.00 20.03 C ATOM 729 CE2 TYR A1049 -10.367 39.551 0.120 1.00 19.49 C ATOM 730 CZ TYR A1049 -10.814 40.831 -0.155 1.00 19.92 C ATOM 731 OH TYR A1049 -11.978 41.009 -0.884 1.00 19.65 O ATOM 732 HH TYR A1049 -12.154 41.977 -0.991 1.00 0.00 H ATOM 733 H TYR A1049 -5.190 39.526 3.390 1.00 0.00 H ATOM 734 N LEU A1050 -8.170 38.008 3.901 1.00 23.20 N ATOM 735 CA LEU A1050 -9.225 37.037 4.269 1.00 23.41 C ATOM 736 C LEU A1050 -9.471 37.103 5.777 1.00 26.12 C ATOM 737 O LEU A1050 -10.593 36.739 6.179 1.00 27.29 O ATOM 738 CB LEU A1050 -8.869 35.624 3.817 1.00 23.58 C ATOM 739 CG LEU A1050 -9.046 35.371 2.321 1.00 22.87 C ATOM 740 CD1 LEU A1050 -8.572 33.979 1.957 1.00 24.95 C ATOM 741 CD2 LEU A1050 -10.489 35.537 1.898 1.00 23.64 C ATOM 742 H LEU A1050 -7.256 37.653 3.555 1.00 0.00 H ATOM 743 N ARG A1051 -8.518 37.586 6.577 1.00 27.51 N ATOM 744 CA ARG A1051 -8.763 37.790 8.039 1.00 30.32 C ATOM 745 C ARG A1051 -9.849 38.848 8.210 1.00 25.71 C ATOM 746 O ARG A1051 -10.667 38.693 9.107 1.00 25.91 O ATOM 747 CB ARG A1051 -7.518 38.238 8.816 1.00 33.73 C ATOM 748 CG ARG A1051 -6.548 37.116 9.127 1.00 44.88 C ATOM 749 CD ARG A1051 -5.625 37.469 10.284 1.00 57.64 C ATOM 750 NE ARG A1051 -4.674 36.383 10.453 1.00 68.55 N ATOM 751 CZ ARG A1051 -3.572 36.214 9.726 1.00 77.92 C ATOM 752 NH1 ARG A1051 -3.252 37.079 8.776 1.00 79.98 N ATOM 753 NH2 ARG A1051 -2.784 35.178 9.965 1.00 84.17 N ATOM 754 HE ARG A1051 -4.869 35.685 11.199 1.00 0.00 H ATOM 755 HH12 ARG A1051 -2.389 36.938 8.214 1.00 0.00 H ATOM 756 HH11 ARG A1051 -3.864 37.900 8.592 1.00 0.00 H ATOM 757 HH22 ARG A1051 -1.921 35.040 9.401 1.00 0.00 H ATOM 758 HH21 ARG A1051 -3.027 34.502 10.717 1.00 0.00 H ATOM 759 H ARG A1051 -7.588 37.825 6.177 1.00 0.00 H ATOM 760 N ASP A1052 -9.847 39.876 7.362 1.00 25.40 N ATOM 761 CA ASP A1052 -10.846 40.979 7.415 1.00 24.86 C ATOM 762 C ASP A1052 -12.187 40.502 6.845 1.00 24.23 C ATOM 763 O ASP A1052 -13.248 40.809 7.464 1.00 23.29 O ATOM 764 CB ASP A1052 -10.317 42.245 6.761 1.00 24.00 C ATOM 765 CG ASP A1052 -9.438 43.061 7.691 1.00 26.46 C ATOM 766 OD1 ASP A1052 -9.404 42.740 8.920 1.00 25.88 O ATOM 767 OD2 ASP A1052 -8.832 44.032 7.199 1.00 24.79 O ATOM 768 H ASP A1052 -9.112 39.910 6.627 1.00 0.00 H ATOM 769 N ILE A1053 -12.176 39.727 5.765 1.00 23.65 N ATOM 770 CA ILE A1053 -13.444 39.110 5.286 1.00 22.91 C ATOM 771 C ILE A1053 -14.024 38.269 6.443 1.00 23.98 C ATOM 772 O ILE A1053 -15.210 38.442 6.762 1.00 23.28 O ATOM 773 CB ILE A1053 -13.217 38.261 4.034 1.00 22.49 C ATOM 774 CG1 ILE A1053 -12.663 39.081 2.864 1.00 22.99 C ATOM 775 CG2 ILE A1053 -14.489 37.521 3.680 1.00 22.56 C ATOM 776 CD1 ILE A1053 -13.513 40.259 2.434 1.00 23.97 C ATOM 777 H ILE A1053 -11.286 39.552 5.257 1.00 0.00 H ATOM 778 N ASP A1054 -13.236 37.379 7.049 1.00 23.90 N ATOM 779 CA ASP A1054 -13.687 36.529 8.182 1.00 26.46 C ATOM 780 C ASP A1054 -14.235 37.385 9.351 1.00 27.96 C ATOM 781 O ASP A1054 -15.138 36.910 10.054 1.00 26.40 O ATOM 782 CB ASP A1054 -12.543 35.657 8.715 1.00 30.57 C ATOM 783 CG ASP A1054 -12.170 34.480 7.821 1.00 34.63 C ATOM 784 OD1 ASP A1054 -12.992 34.065 7.005 1.00 35.51 O ATOM 785 OD2 ASP A1054 -11.060 33.973 7.972 1.00 40.30 O ATOM 786 H ASP A1054 -12.258 37.275 6.712 1.00 0.00 H ATOM 787 N LEU A1055 -13.680 38.573 9.597 1.00 27.49 N ATOM 788 CA LEU A1055 -14.120 39.483 10.685 1.00 28.45 C ATOM 789 C LEU A1055 -15.503 40.059 10.347 1.00 28.35 C ATOM 790 O LEU A1055 -16.382 40.041 11.235 1.00 28.93 O ATOM 791 CB LEU A1055 -13.063 40.569 10.844 1.00 31.12 C ATOM 792 CG LEU A1055 -13.165 41.451 12.075 1.00 31.97 C ATOM 793 CD1 LEU A1055 -13.089 40.635 13.352 1.00 32.39 C ATOM 794 CD2 LEU A1055 -12.064 42.489 12.025 1.00 33.99 C ATOM 795 H LEU A1055 -12.893 38.880 8.991 1.00 0.00 H ATOM 796 N ILE A1056 -15.752 40.422 9.083 1.00 25.16 N ATOM 797 CA ILE A1056 -17.091 40.911 8.674 1.00 25.34 C ATOM 798 C ILE A1056 -18.093 39.807 8.998 1.00 25.80 C ATOM 799 O ILE A1056 -19.185 40.089 9.523 1.00 27.36 O ATOM 800 CB ILE A1056 -17.157 41.277 7.186 1.00 25.68 C ATOM 801 CG1 ILE A1056 -16.190 42.405 6.841 1.00 25.14 C ATOM 802 CG2 ILE A1056 -18.595 41.623 6.811 1.00 27.30 C ATOM 803 CD1 ILE A1056 -16.061 42.677 5.363 1.00 24.46 C ATOM 804 H ILE A1056 -14.993 40.360 8.375 1.00 0.00 H ATOM 805 N CYS A1057 -17.752 38.572 8.689 1.00 25.19 N ATOM 806 CA CYS A1057 -18.673 37.437 8.937 1.00 26.58 C ATOM 807 C CYS A1057 -18.822 37.186 10.445 1.00 26.89 C ATOM 808 O CYS A1057 -19.947 37.032 10.917 1.00 27.33 O ATOM 809 CB CYS A1057 -18.174 36.223 8.178 1.00 27.44 C ATOM 810 SG CYS A1057 -19.210 34.773 8.418 1.00 32.00 S ATOM 811 H CYS A1057 -16.820 38.390 8.264 1.00 0.00 H ATOM 812 N SER A1058 -17.742 37.175 11.216 1.00 27.43 N ATOM 813 CA SER A1058 -17.832 36.791 12.651 1.00 28.43 C ATOM 814 C SER A1058 -18.538 37.897 13.455 1.00 26.87 C ATOM 815 O SER A1058 -19.264 37.575 14.394 1.00 28.07 O ATOM 816 CB SER A1058 -16.458 36.422 13.217 1.00 31.36 C ATOM 817 OG SER A1058 -15.507 37.463 13.033 1.00 33.13 O ATOM 818 HG SER A1058 -14.636 37.184 13.412 1.00 0.00 H ATOM 819 H SER A1058 -16.820 37.438 10.812 1.00 0.00 H ATOM 820 N ASN A1059 -18.315 39.163 13.114 1.00 27.27 N ATOM 821 CA ASN A1059 -19.020 40.342 13.691 1.00 28.38 C ATOM 822 C ASN A1059 -20.533 40.195 13.442 1.00 28.52 C ATOM 823 O ASN A1059 -21.320 40.447 14.357 1.00 28.09 O ATOM 824 CB ASN A1059 -18.516 41.668 13.098 1.00 28.50 C ATOM 825 CG ASN A1059 -17.103 42.044 13.506 1.00 29.93 C ATOM 826 OD1 ASN A1059 -16.529 41.429 14.407 1.00 28.16 O ATOM 827 ND2 ASN A1059 -16.553 43.067 12.862 1.00 27.77 N ATOM 828 HD22 ASN A1059 -17.081 43.552 12.109 1.00 0.00 H ATOM 829 HD21 ASN A1059 -15.594 43.383 13.111 1.00 0.00 H ATOM 830 H ASN A1059 -17.592 39.344 12.388 1.00 0.00 H ATOM 831 N ALA A1060 -20.930 39.813 12.227 1.00 27.91 N ATOM 832 CA ALA A1060 -22.349 39.665 11.835 1.00 28.05 C ATOM 833 C ALA A1060 -22.951 38.540 12.667 1.00 29.74 C ATOM 834 O ALA A1060 -23.974 38.777 13.308 1.00 32.79 O ATOM 835 CB ALA A1060 -22.468 39.405 10.351 1.00 28.41 C ATOM 836 H ALA A1060 -20.201 39.608 11.515 1.00 0.00 H ATOM 837 N LEU A1061 -22.287 37.384 12.731 1.00 30.80 N ATOM 838 CA LEU A1061 -22.796 36.230 13.500 1.00 34.31 C ATOM 839 C LEU A1061 -22.877 36.663 14.963 1.00 37.07 C ATOM 840 O LEU A1061 -23.829 36.254 15.643 1.00 39.31 O ATOM 841 CB LEU A1061 -21.892 35.005 13.347 1.00 38.70 C ATOM 842 CG LEU A1061 -21.725 34.406 11.944 1.00 41.09 C ATOM 843 CD1 LEU A1061 -21.301 32.950 12.043 1.00 45.42 C ATOM 844 CD2 LEU A1061 -22.979 34.507 11.100 1.00 38.46 C ATOM 845 H LEU A1061 -21.384 37.293 12.224 1.00 0.00 H ATOM 846 N GLU A1062 -21.930 37.485 15.421 1.00 36.16 N ATOM 847 CA GLU A1062 -21.798 37.777 16.867 1.00 38.53 C ATOM 848 C GLU A1062 -22.922 38.729 17.271 1.00 37.01 C ATOM 849 O GLU A1062 -23.570 38.466 18.280 1.00 39.18 O ATOM 850 CB GLU A1062 -20.425 38.348 17.217 1.00 40.17 C ATOM 851 CG GLU A1062 -20.318 38.732 18.684 1.00 47.32 C ATOM 852 CD GLU A1062 -19.028 39.442 19.067 1.00 53.55 C ATOM 853 OE1 GLU A1062 -18.028 39.253 18.334 1.00 54.14 O ATOM 854 OE2 GLU A1062 -19.036 40.194 20.087 1.00 59.47 O ATOM 855 H GLU A1062 -21.272 37.929 14.749 1.00 0.00 H ATOM 856 N TYR A1063 -23.136 39.782 16.492 1.00 36.35 N ATOM 857 CA TYR A1063 -24.088 40.868 16.808 1.00 36.81 C ATOM 858 C TYR A1063 -25.537 40.442 16.515 1.00 35.52 C ATOM 859 O TYR A1063 -26.403 41.008 17.163 1.00 35.74 O ATOM 860 CB TYR A1063 -23.723 42.150 16.054 1.00 40.06 C ATOM 861 CG TYR A1063 -24.498 43.352 16.537 1.00 44.19 C ATOM 862 CD1 TYR A1063 -24.151 43.990 17.718 1.00 46.91 C ATOM 863 CD2 TYR A1063 -25.618 43.806 15.857 1.00 48.32 C ATOM 864 CE1 TYR A1063 -24.868 45.076 18.188 1.00 50.87 C ATOM 865 CE2 TYR A1063 -26.349 44.888 16.318 1.00 49.76 C ATOM 866 CZ TYR A1063 -25.975 45.521 17.488 1.00 53.64 C ATOM 867 OH TYR A1063 -26.686 46.590 17.947 1.00 61.35 O ATOM 868 HH TYR A1063 -26.282 46.917 18.790 1.00 0.00 H ATOM 869 H TYR A1063 -22.600 39.847 15.603 1.00 0.00 H ATOM 870 N ASN A1064 -25.787 39.512 15.580 1.00 32.67 N ATOM 871 CA ASN A1064 -27.148 39.112 15.120 1.00 32.35 C ATOM 872 C ASN A1064 -27.317 37.608 15.365 1.00 32.38 C ATOM 873 O ASN A1064 -27.467 36.834 14.421 1.00 34.25 O ATOM 874 CB ASN A1064 -27.376 39.478 13.634 1.00 32.02 C ATOM 875 CG ASN A1064 -27.023 40.911 13.256 1.00 33.09 C ATOM 876 OD1 ASN A1064 -27.852 41.817 13.357 1.00 33.08 O ATOM 877 ND2 ASN A1064 -25.797 41.140 12.804 1.00 33.08 N ATOM 878 HD22 ASN A1064 -25.116 40.358 12.728 1.00 0.00 H ATOM 879 HD21 ASN A1064 -25.517 42.102 12.525 1.00 0.00 H ATOM 880 H ASN A1064 -24.972 39.035 15.144 1.00 0.00 H ATOM 881 N PRO A1065 -27.283 37.114 16.622 1.00 33.73 N ATOM 882 CA PRO A1065 -27.260 35.675 16.886 1.00 35.06 C ATOM 883 C PRO A1065 -28.639 35.011 17.033 1.00 37.33 C ATOM 884 O PRO A1065 -28.682 33.814 17.171 1.00 39.59 O ATOM 885 CB PRO A1065 -26.585 35.640 18.276 1.00 36.46 C ATOM 886 CG PRO A1065 -27.153 36.857 18.968 1.00 35.90 C ATOM 887 CD PRO A1065 -27.273 37.900 17.872 1.00 33.79 C ATOM 888 N ASP A1066 -29.720 35.788 17.059 1.00 36.77 N ATOM 889 CA ASP A1066 -31.069 35.279 17.423 1.00 40.21 C ATOM 890 C ASP A1066 -31.643 34.371 16.327 1.00 40.21 C ATOM 891 O ASP A1066 -31.112 34.363 15.178 1.00 39.20 O ATOM 892 CB ASP A1066 -32.037 36.424 17.714 1.00 43.19 C ATOM 893 CG ASP A1066 -31.646 37.263 18.913 1.00 47.73 C ATOM 894 OD1 ASP A1066 -30.696 36.859 19.640 1.00 46.22 O ATOM 895 OD2 ASP A1066 -32.285 38.319 19.109 1.00 51.59 O ATOM 896 H ASP A1066 -29.616 36.794 16.814 1.00 0.00 H ATOM 897 N ARG A1067 -32.714 33.656 16.680 1.00 38.70 N ATOM 898 CA ARG A1067 -33.431 32.684 15.812 1.00 39.05 C ATOM 899 C ARG A1067 -34.418 33.401 14.877 1.00 37.01 C ATOM 900 O ARG A1067 -34.991 32.729 14.003 1.00 36.04 O ATOM 901 CB ARG A1067 -34.225 31.706 16.678 1.00 43.22 C ATOM 902 CG ARG A1067 -35.339 32.385 17.468 1.00 43.64 C ATOM 903 CD ARG A1067 -36.659 31.678 17.316 1.00 44.04 C ATOM 904 NE ARG A1067 -37.053 31.335 15.951 1.00 44.11 N ATOM 905 CZ ARG A1067 -37.922 32.027 15.195 1.00 45.60 C ATOM 906 NH1 ARG A1067 -38.445 33.180 15.609 1.00 47.17 N ATOM 907 NH2 ARG A1067 -38.236 31.570 13.999 1.00 39.16 N ATOM 908 HE ARG A1067 -36.626 30.485 15.530 1.00 0.00 H ATOM 909 HH12 ARG A1067 -39.115 33.694 15.003 1.00 0.00 H ATOM 910 HH11 ARG A1067 -38.183 33.566 16.539 1.00 0.00 H ATOM 911 HH22 ARG A1067 -38.907 32.094 13.402 1.00 0.00 H ATOM 912 HH21 ARG A1067 -37.813 30.685 13.653 1.00 0.00 H ATOM 913 H ARG A1067 -33.078 33.790 17.645 1.00 0.00 H ATOM 914 N ASP A1068 -34.676 34.691 15.088 1.00 36.38 N ATOM 915 CA ASP A1068 -35.699 35.428 14.304 1.00 34.59 C ATOM 916 C ASP A1068 -35.181 35.623 12.882 1.00 32.12 C ATOM 917 O ASP A1068 -33.980 35.693 12.643 1.00 30.64 O ATOM 918 CB ASP A1068 -36.049 36.764 14.953 1.00 37.67 C ATOM 919 CG ASP A1068 -34.879 37.722 14.995 1.00 41.79 C ATOM 920 OD1 ASP A1068 -34.585 38.347 13.959 1.00 45.77 O ATOM 921 OD2 ASP A1068 -34.257 37.818 16.055 1.00 51.82 O ATOM 922 H ASP A1068 -34.144 35.197 15.825 1.00 0.00 H ATOM 923 N PRO A1069 -36.093 35.721 11.904 1.00 31.89 N ATOM 924 CA PRO A1069 -35.715 35.793 10.501 1.00 29.73 C ATOM 925 C PRO A1069 -34.752 36.936 10.148 1.00 27.28 C ATOM 926 O PRO A1069 -33.922 36.745 9.278 1.00 25.99 O ATOM 927 CB PRO A1069 -37.054 36.011 9.803 1.00 30.36 C ATOM 928 CG PRO A1069 -38.075 35.433 10.747 1.00 32.80 C ATOM 929 CD PRO A1069 -37.551 35.711 12.122 1.00 32.53 C ATOM 930 N GLY A1070 -34.888 38.085 10.817 1.00 27.62 N ATOM 931 CA GLY A1070 -33.989 39.235 10.633 1.00 28.51 C ATOM 932 C GLY A1070 -32.547 38.814 10.805 1.00 29.21 C ATOM 933 O GLY A1070 -31.733 39.003 9.851 1.00 27.91 O ATOM 934 H GLY A1070 -35.667 38.170 11.501 1.00 0.00 H ATOM 935 N ASP A1071 -32.251 38.228 11.967 1.00 29.14 N ATOM 936 CA ASP A1071 -30.901 37.752 12.333 1.00 29.81 C ATOM 937 C ASP A1071 -30.530 36.541 11.476 1.00 29.67 C ATOM 938 O ASP A1071 -29.375 36.509 11.037 1.00 28.05 O ATOM 939 CB ASP A1071 -30.788 37.414 13.822 1.00 34.67 C ATOM 940 CG ASP A1071 -30.678 38.620 14.743 1.00 36.13 C ATOM 941 OD1 ASP A1071 -31.018 39.753 14.308 1.00 36.63 O ATOM 942 OD2 ASP A1071 -30.235 38.415 15.890 1.00 40.19 O ATOM 943 H ASP A1071 -33.018 38.098 12.657 1.00 0.00 H ATOM 944 N ARG A1072 -31.430 35.580 11.232 1.00 29.14 N ATOM 945 CA ARG A1072 -31.039 34.412 10.408 1.00 30.53 C ATOM 946 C ARG A1072 -30.653 34.883 8.996 1.00 26.52 C ATOM 947 O ARG A1072 -29.734 34.280 8.408 1.00 23.77 O ATOM 948 CB ARG A1072 -32.119 33.334 10.341 1.00 35.13 C ATOM 949 CG ARG A1072 -32.139 32.461 11.583 1.00 42.06 C ATOM 950 CD ARG A1072 -32.996 31.222 11.447 1.00 48.46 C ATOM 951 NE ARG A1072 -32.961 30.458 12.696 1.00 52.32 N ATOM 952 CZ ARG A1072 -33.919 29.628 13.123 1.00 58.13 C ATOM 953 NH1 ARG A1072 -35.029 29.455 12.421 1.00 63.24 N ATOM 954 NH2 ARG A1072 -33.769 28.980 14.265 1.00 56.47 N ATOM 955 HE ARG A1072 -32.122 30.570 13.301 1.00 0.00 H ATOM 956 HH12 ARG A1072 -35.766 28.807 12.765 1.00 0.00 H ATOM 957 HH11 ARG A1072 -35.164 29.968 11.526 1.00 0.00 H ATOM 958 HH22 ARG A1072 -34.513 28.334 14.598 1.00 0.00 H ATOM 959 HH21 ARG A1072 -32.907 29.116 14.831 1.00 0.00 H ATOM 960 H ARG A1072 -32.393 35.653 11.617 1.00 0.00 H ATOM 961 N LEU A1073 -31.326 35.892 8.450 1.00 27.02 N ATOM 962 CA LEU A1073 -31.029 36.385 7.074 1.00 26.48 C ATOM 963 C LEU A1073 -29.623 36.999 7.045 1.00 27.52 C ATOM 964 O LEU A1073 -28.792 36.549 6.257 1.00 27.20 O ATOM 965 CB LEU A1073 -32.098 37.394 6.659 1.00 27.48 C ATOM 966 CG LEU A1073 -31.861 38.047 5.300 1.00 26.89 C ATOM 967 CD1 LEU A1073 -31.768 37.001 4.214 1.00 27.69 C ATOM 968 CD2 LEU A1073 -32.966 39.035 5.004 1.00 28.97 C ATOM 969 H LEU A1073 -32.081 36.351 8.999 1.00 0.00 H ATOM 970 N ILE A1074 -29.334 37.950 7.929 1.00 29.34 N ATOM 971 CA ILE A1074 -27.989 38.591 8.016 1.00 31.07 C ATOM 972 C ILE A1074 -26.936 37.485 8.131 1.00 30.39 C ATOM 973 O ILE A1074 -25.978 37.510 7.352 1.00 26.82 O ATOM 974 CB ILE A1074 -27.904 39.604 9.173 1.00 33.57 C ATOM 975 CG1 ILE A1074 -28.911 40.738 8.994 1.00 38.14 C ATOM 976 CG2 ILE A1074 -26.498 40.173 9.290 1.00 34.93 C ATOM 977 CD1 ILE A1074 -29.393 41.319 10.314 1.00 42.31 C ATOM 978 H ILE A1074 -30.077 38.260 8.588 1.00 0.00 H ATOM 979 N ARG A1075 -27.110 36.537 9.057 1.00 29.73 N ATOM 980 CA ARG A1075 -26.081 35.491 9.283 1.00 30.23 C ATOM 981 C ARG A1075 -25.887 34.689 8.000 1.00 28.07 C ATOM 982 O ARG A1075 -24.735 34.303 7.711 1.00 26.47 O ATOM 983 CB ARG A1075 -26.464 34.555 10.423 1.00 32.66 C ATOM 984 CG ARG A1075 -26.396 35.215 11.788 1.00 35.22 C ATOM 985 CD ARG A1075 -26.200 34.151 12.845 1.00 39.75 C ATOM 986 NE ARG A1075 -27.203 33.088 12.835 1.00 42.97 N ATOM 987 CZ ARG A1075 -28.405 33.166 13.392 1.00 44.04 C ATOM 988 NH1 ARG A1075 -28.802 34.291 13.962 1.00 45.51 N ATOM 989 NH2 ARG A1075 -29.220 32.120 13.358 1.00 48.90 N ATOM 990 HE ARG A1075 -26.955 32.200 12.353 1.00 0.00 H ATOM 991 HH12 ARG A1075 -29.745 34.349 14.398 1.00 0.00 H ATOM 992 HH11 ARG A1075 -28.172 35.118 13.975 1.00 0.00 H ATOM 993 HH22 ARG A1075 -30.162 32.180 13.794 1.00 0.00 H ATOM 994 HH21 ARG A1075 -28.917 31.239 12.895 1.00 0.00 H ATOM 995 H ARG A1075 -27.979 36.532 9.628 1.00 0.00 H ATOM 996 N HIS A1076 -26.979 34.404 7.294 1.00 27.31 N ATOM 997 CA HIS A1076 -26.926 33.594 6.059 1.00 26.73 C ATOM 998 C HIS A1076 -26.138 34.399 5.031 1.00 23.91 C ATOM 999 O HIS A1076 -25.315 33.802 4.347 1.00 24.28 O ATOM 1000 CB HIS A1076 -28.308 33.199 5.550 1.00 28.02 C ATOM 1001 CG HIS A1076 -28.249 32.279 4.374 1.00 29.37 C ATOM 1002 ND1 HIS A1076 -28.222 32.740 3.056 1.00 30.69 N ATOM 1003 CD2 HIS A1076 -28.255 30.925 4.299 1.00 32.03 C ATOM 1004 CE1 HIS A1076 -28.193 31.709 2.232 1.00 30.18 C ATOM 1005 NE2 HIS A1076 -28.215 30.587 2.965 1.00 31.47 N ATOM 1006 H HIS A1076 -27.898 34.763 7.622 1.00 0.00 H ATOM 1007 N ARG A1077 -26.370 35.707 4.976 1.00 24.66 N ATOM 1008 CA ARG A1077 -25.668 36.629 4.047 1.00 25.47 C ATOM 1009 C ARG A1077 -24.189 36.752 4.422 1.00 25.63 C ATOM 1010 O ARG A1077 -23.348 36.702 3.518 1.00 25.07 O ATOM 1011 CB ARG A1077 -26.367 37.981 4.016 1.00 26.26 C ATOM 1012 CG ARG A1077 -27.634 37.957 3.169 1.00 25.47 C ATOM 1013 CD ARG A1077 -28.454 39.170 3.477 1.00 25.60 C ATOM 1014 NE ARG A1077 -29.546 39.291 2.548 1.00 28.05 N ATOM 1015 CZ ARG A1077 -30.454 40.253 2.577 1.00 29.64 C ATOM 1016 NH1 ARG A1077 -30.396 41.179 3.518 1.00 31.48 N ATOM 1017 NH2 ARG A1077 -31.405 40.291 1.654 1.00 30.67 N ATOM 1018 HE ARG A1077 -29.627 38.572 1.801 1.00 0.00 H ATOM 1019 HH12 ARG A1077 -31.107 41.937 3.546 1.00 0.00 H ATOM 1020 HH11 ARG A1077 -29.639 41.149 4.231 1.00 0.00 H ATOM 1021 HH22 ARG A1077 -32.120 41.046 1.675 1.00 0.00 H ATOM 1022 HH21 ARG A1077 -31.436 39.566 0.909 1.00 0.00 H ATOM 1023 H ARG A1077 -27.083 36.107 5.619 1.00 0.00 H ATOM 1024 N ALA A1078 -23.894 36.855 5.710 1.00 26.40 N ATOM 1025 CA ALA A1078 -22.520 36.961 6.228 1.00 26.56 C ATOM 1026 C ALA A1078 -21.719 35.737 5.789 1.00 27.69 C ATOM 1027 O ALA A1078 -20.614 35.921 5.252 1.00 28.90 O ATOM 1028 CB ALA A1078 -22.558 37.102 7.724 1.00 29.38 C ATOM 1029 H ALA A1078 -24.678 36.861 6.394 1.00 0.00 H ATOM 1030 N CYS A1079 -22.280 34.544 5.970 1.00 30.01 N ATOM 1031 CA CYS A1079 -21.657 33.247 5.589 1.00 31.01 C ATOM 1032 C CYS A1079 -21.513 33.164 4.059 1.00 28.71 C ATOM 1033 O CYS A1079 -20.533 32.556 3.579 1.00 26.91 O ATOM 1034 CB CYS A1079 -22.446 32.066 6.154 1.00 35.02 C ATOM 1035 SG CYS A1079 -22.241 31.840 7.954 1.00 44.59 S ATOM 1036 H CYS A1079 -23.222 34.516 6.410 1.00 0.00 H ATOM 1037 N ALA A1080 -22.461 33.710 3.304 1.00 25.04 N ATOM 1038 CA ALA A1080 -22.406 33.677 1.820 1.00 25.50 C ATOM 1039 C ALA A1080 -21.305 34.632 1.321 1.00 23.95 C ATOM 1040 O ALA A1080 -20.585 34.274 0.364 1.00 23.59 O ATOM 1041 CB ALA A1080 -23.772 33.990 1.250 1.00 23.65 C ATOM 1042 H ALA A1080 -23.267 34.175 3.767 1.00 0.00 H ATOM 1043 N LEU A1081 -21.140 35.793 1.952 1.00 24.00 N ATOM 1044 CA LEU A1081 -20.023 36.735 1.643 1.00 25.52 C ATOM 1045 C LEU A1081 -18.678 36.030 1.873 1.00 26.23 C ATOM 1046 O LEU A1081 -17.774 36.122 1.010 1.00 21.32 O ATOM 1047 CB LEU A1081 -20.135 37.988 2.521 1.00 28.04 C ATOM 1048 CG LEU A1081 -18.979 38.982 2.399 1.00 30.44 C ATOM 1049 CD1 LEU A1081 -19.078 39.746 1.100 1.00 32.38 C ATOM 1050 CD2 LEU A1081 -18.955 39.956 3.559 1.00 33.89 C ATOM 1051 H LEU A1081 -21.820 36.056 2.694 1.00 0.00 H ATOM 1052 N ARG A1082 -18.522 35.381 3.028 1.00 28.54 N ATOM 1053 CA ARG A1082 -17.264 34.681 3.364 1.00 28.61 C ATOM 1054 C ARG A1082 -17.035 33.569 2.342 1.00 26.21 C ATOM 1055 O ARG A1082 -15.929 33.487 1.814 1.00 23.81 O ATOM 1056 CB ARG A1082 -17.297 34.106 4.777 1.00 31.64 C ATOM 1057 CG ARG A1082 -16.051 33.316 5.116 1.00 36.67 C ATOM 1058 CD ARG A1082 -15.960 32.890 6.565 1.00 47.59 C ATOM 1059 NE ARG A1082 -14.769 32.055 6.681 1.00 57.12 N ATOM 1060 CZ ARG A1082 -14.257 31.551 7.801 1.00 71.75 C ATOM 1061 NH1 ARG A1082 -13.153 30.821 7.728 1.00 77.53 N ATOM 1062 NH2 ARG A1082 -14.825 31.776 8.980 1.00 78.47 N ATOM 1063 HE ARG A1082 -14.269 31.831 5.797 1.00 0.00 H ATOM 1064 HH12 ARG A1082 -12.738 30.418 8.592 1.00 0.00 H ATOM 1065 HH11 ARG A1082 -12.702 30.651 6.806 1.00 0.00 H ATOM 1066 HH22 ARG A1082 -14.408 31.373 9.843 1.00 0.00 H ATOM 1067 HH21 ARG A1082 -15.686 32.356 9.040 1.00 0.00 H ATOM 1068 H ARG A1082 -19.307 35.367 3.711 1.00 0.00 H ATOM 1069 N ASP A1083 -18.031 32.721 2.097 1.00 26.09 N ATOM 1070 CA ASP A1083 -17.871 31.567 1.173 1.00 25.97 C ATOM 1071 C ASP A1083 -17.570 32.057 -0.255 1.00 23.57 C ATOM 1072 O ASP A1083 -16.821 31.346 -0.969 1.00 22.77 O ATOM 1073 CB ASP A1083 -19.085 30.650 1.160 1.00 27.89 C ATOM 1074 CG ASP A1083 -19.335 29.938 2.482 1.00 31.15 C ATOM 1075 OD1 ASP A1083 -18.414 29.896 3.354 1.00 30.60 O ATOM 1076 OD2 ASP A1083 -20.456 29.477 2.641 1.00 32.70 O ATOM 1077 H ASP A1083 -18.948 32.870 2.565 1.00 0.00 H ATOM 1078 N THR A1084 -18.148 33.181 -0.661 1.00 21.87 N ATOM 1079 CA THR A1084 -17.980 33.719 -2.030 1.00 22.72 C ATOM 1080 C THR A1084 -16.563 34.267 -2.150 1.00 21.84 C ATOM 1081 O THR A1084 -15.906 34.010 -3.168 1.00 21.57 O ATOM 1082 CB THR A1084 -19.036 34.773 -2.375 1.00 22.60 C ATOM 1083 OG1 THR A1084 -20.329 34.179 -2.304 1.00 22.27 O ATOM 1084 CG2 THR A1084 -18.857 35.354 -3.759 1.00 23.25 C ATOM 1085 HG1 THR A1084 -20.485 33.839 -1.387 1.00 0.00 H ATOM 1086 H THR A1084 -18.744 33.706 0.011 1.00 0.00 H ATOM 1087 N ALA A1085 -16.086 34.998 -1.145 1.00 20.62 N ATOM 1088 CA ALA A1085 -14.719 35.542 -1.198 1.00 20.42 C ATOM 1089 C ALA A1085 -13.743 34.364 -1.307 1.00 20.66 C ATOM 1090 O ALA A1085 -12.867 34.420 -2.222 1.00 19.92 O ATOM 1091 CB ALA A1085 -14.416 36.419 -0.014 1.00 20.59 C ATOM 1092 H ALA A1085 -16.684 35.186 -0.315 1.00 0.00 H ATOM 1093 N TYR A1086 -13.894 33.344 -0.446 1.00 20.46 N ATOM 1094 CA TYR A1086 -12.982 32.170 -0.391 1.00 22.77 C ATOM 1095 C TYR A1086 -13.019 31.412 -1.728 1.00 23.73 C ATOM 1096 O TYR A1086 -11.950 30.969 -2.219 1.00 22.35 O ATOM 1097 CB TYR A1086 -13.301 31.231 0.772 1.00 23.90 C ATOM 1098 CG TYR A1086 -12.586 31.577 2.047 1.00 24.89 C ATOM 1099 CD1 TYR A1086 -13.051 32.597 2.848 1.00 25.12 C ATOM 1100 CD2 TYR A1086 -11.421 30.934 2.433 1.00 26.37 C ATOM 1101 CE1 TYR A1086 -12.431 32.925 4.037 1.00 26.00 C ATOM 1102 CE2 TYR A1086 -10.753 31.294 3.598 1.00 27.93 C ATOM 1103 CZ TYR A1086 -11.272 32.281 4.417 1.00 27.20 C ATOM 1104 OH TYR A1086 -10.680 32.644 5.596 1.00 28.59 O ATOM 1105 HH TYR A1086 -11.210 33.363 6.022 1.00 0.00 H ATOM 1106 H TYR A1086 -14.693 33.377 0.219 1.00 0.00 H ATOM 1107 N ALA A1087 -14.210 31.265 -2.309 1.00 24.28 N ATOM 1108 CA ALA A1087 -14.399 30.542 -3.589 1.00 24.75 C ATOM 1109 C ALA A1087 -13.764 31.324 -4.756 1.00 23.13 C ATOM 1110 O ALA A1087 -13.141 30.670 -5.640 1.00 22.11 O ATOM 1111 CB ALA A1087 -15.870 30.285 -3.801 1.00 27.30 C ATOM 1112 H ALA A1087 -15.044 31.676 -1.843 1.00 0.00 H ATOM 1113 N ILE A1088 -13.899 32.657 -4.795 1.00 20.74 N ATOM 1114 CA ILE A1088 -13.252 33.474 -5.859 1.00 21.42 C ATOM 1115 C ILE A1088 -11.743 33.245 -5.759 1.00 22.04 C ATOM 1116 O ILE A1088 -11.084 32.979 -6.792 1.00 20.53 O ATOM 1117 CB ILE A1088 -13.627 34.969 -5.773 1.00 20.81 C ATOM 1118 CG1 ILE A1088 -15.107 35.163 -6.094 1.00 21.52 C ATOM 1119 CG2 ILE A1088 -12.753 35.803 -6.676 1.00 19.62 C ATOM 1120 CD1 ILE A1088 -15.641 36.507 -5.753 1.00 22.09 C ATOM 1121 H ILE A1088 -14.469 33.132 -4.066 1.00 0.00 H ATOM 1122 N ILE A1089 -11.212 33.326 -4.550 1.00 21.97 N ATOM 1123 CA ILE A1089 -9.746 33.271 -4.323 1.00 23.24 C ATOM 1124 C ILE A1089 -9.255 31.858 -4.673 1.00 24.53 C ATOM 1125 O ILE A1089 -8.191 31.710 -5.312 1.00 22.58 O ATOM 1126 CB ILE A1089 -9.430 33.790 -2.904 1.00 25.63 C ATOM 1127 CG1 ILE A1089 -9.490 35.322 -2.901 1.00 26.44 C ATOM 1128 CG2 ILE A1089 -8.086 33.284 -2.404 1.00 27.52 C ATOM 1129 CD1 ILE A1089 -9.783 35.923 -1.543 1.00 30.55 C ATOM 1130 H ILE A1089 -11.843 33.432 -3.730 1.00 0.00 H ATOM 1131 N LYS A1090 -10.044 30.845 -4.358 1.00 28.28 N ATOM 1132 CA LYS A1090 -9.679 29.443 -4.641 1.00 31.17 C ATOM 1133 C LYS A1090 -9.541 29.265 -6.151 1.00 30.36 C ATOM 1134 O LYS A1090 -8.642 28.550 -6.576 1.00 28.53 O ATOM 1135 CB LYS A1090 -10.725 28.490 -4.059 1.00 35.84 C ATOM 1136 CG LYS A1090 -10.350 27.024 -4.188 1.00 42.85 C ATOM 1137 CD LYS A1090 -11.447 26.096 -3.761 1.00 48.84 C ATOM 1138 CE LYS A1090 -10.961 24.675 -3.567 1.00 57.66 C ATOM 1139 NZ LYS A1090 -12.096 23.771 -3.268 1.00 65.34 N ATOM 1140 HZ1 LYS A1090 -12.569 24.087 -2.398 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 -12.771 23.791 -4.059 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 -11.741 22.802 -3.139 1.00 0.00 H ATOM 1143 H LYS A1090 -10.954 31.043 -3.895 1.00 0.00 H ATOM 1144 N GLU A1091 -10.413 29.876 -6.941 1.00 31.23 N ATOM 1145 CA GLU A1091 -10.401 29.710 -8.413 1.00 31.69 C ATOM 1146 C GLU A1091 -9.358 30.621 -9.058 1.00 29.08 C ATOM 1147 O GLU A1091 -8.952 30.284 -10.191 1.00 28.82 O ATOM 1148 CB GLU A1091 -11.745 30.063 -9.041 1.00 36.02 C ATOM 1149 CG GLU A1091 -12.818 29.009 -8.864 1.00 45.95 C ATOM 1150 CD GLU A1091 -13.859 29.026 -9.982 1.00 55.72 C ATOM 1151 OE1 GLU A1091 -14.442 30.114 -10.239 1.00 59.06 O ATOM 1152 OE2 GLU A1091 -14.061 27.966 -10.625 1.00 52.85 O ATOM 1153 H GLU A1091 -11.131 30.494 -6.512 1.00 0.00 H ATOM 1154 N GLU A1092 -9.005 31.761 -8.445 1.00 25.48 N ATOM 1155 CA GLU A1092 -8.364 32.865 -9.223 1.00 25.39 C ATOM 1156 C GLU A1092 -7.011 33.318 -8.645 1.00 23.91 C ATOM 1157 O GLU A1092 -6.300 34.026 -9.348 1.00 22.63 O ATOM 1158 CB GLU A1092 -9.318 34.049 -9.331 1.00 24.24 C ATOM 1159 CG GLU A1092 -10.638 33.702 -9.981 1.00 24.53 C ATOM 1160 CD GLU A1092 -11.594 34.869 -10.120 1.00 25.71 C ATOM 1161 OE1 GLU A1092 -11.132 36.013 -10.079 1.00 25.94 O ATOM 1162 OE2 GLU A1092 -12.806 34.623 -10.295 1.00 28.64 O ATOM 1163 H GLU A1092 -9.178 31.877 -7.426 1.00 0.00 H ATOM 1164 N LEU A1093 -6.698 32.997 -7.399 1.00 22.91 N ATOM 1165 CA LEU A1093 -5.373 33.269 -6.804 1.00 24.68 C ATOM 1166 C LEU A1093 -4.409 32.138 -7.163 1.00 25.36 C ATOM 1167 O LEU A1093 -4.639 30.982 -6.758 1.00 24.72 O ATOM 1168 CB LEU A1093 -5.501 33.348 -5.290 1.00 25.09 C ATOM 1169 CG LEU A1093 -4.195 33.593 -4.545 1.00 25.75 C ATOM 1170 CD1 LEU A1093 -3.547 34.875 -4.993 1.00 23.14 C ATOM 1171 CD2 LEU A1093 -4.468 33.622 -3.036 1.00 25.92 C ATOM 1172 H LEU A1093 -7.419 32.531 -6.811 1.00 0.00 H ATOM 1173 N ASP A1094 -3.312 32.471 -7.821 1.00 27.29 N ATOM 1174 CA ASP A1094 -2.203 31.504 -8.043 1.00 29.00 C ATOM 1175 C ASP A1094 -1.472 31.278 -6.717 1.00 27.52 C ATOM 1176 O ASP A1094 -1.022 32.244 -6.138 1.00 29.06 O ATOM 1177 CB ASP A1094 -1.261 32.017 -9.120 1.00 29.99 C ATOM 1178 CG ASP A1094 -0.214 30.983 -9.444 1.00 31.39 C ATOM 1179 OD1 ASP A1094 0.532 30.582 -8.544 1.00 32.69 O ATOM 1180 OD2 ASP A1094 -0.184 30.587 -10.581 1.00 34.94 O ATOM 1181 H ASP A1094 -3.221 33.437 -8.195 1.00 0.00 H ATOM 1182 N GLU A1095 -1.349 30.041 -6.245 1.00 30.86 N ATOM 1183 CA GLU A1095 -0.739 29.721 -4.919 1.00 33.08 C ATOM 1184 C GLU A1095 0.724 30.181 -4.868 1.00 28.88 C ATOM 1185 O GLU A1095 1.193 30.524 -3.786 1.00 27.62 O ATOM 1186 CB GLU A1095 -0.735 28.216 -4.658 1.00 41.20 C ATOM 1187 CG GLU A1095 -2.066 27.632 -4.217 1.00 51.44 C ATOM 1188 CD GLU A1095 -1.983 26.140 -3.893 1.00 63.70 C ATOM 1189 OE1 GLU A1095 -0.941 25.492 -4.248 1.00 63.59 O ATOM 1190 OE2 GLU A1095 -2.953 25.619 -3.284 1.00 78.29 O ATOM 1191 H GLU A1095 -1.696 29.254 -6.830 1.00 0.00 H ATOM 1192 N ASP A1096 1.432 30.168 -5.995 1.00 26.46 N ATOM 1193 CA ASP A1096 2.850 30.608 -6.037 1.00 26.64 C ATOM 1194 C ASP A1096 2.913 32.115 -5.863 1.00 25.53 C ATOM 1195 O ASP A1096 3.943 32.600 -5.322 1.00 23.24 O ATOM 1196 CB ASP A1096 3.555 30.156 -7.312 1.00 27.57 C ATOM 1197 CG ASP A1096 3.701 28.656 -7.330 1.00 30.10 C ATOM 1198 OD1 ASP A1096 3.657 28.042 -6.238 1.00 30.69 O ATOM 1199 OD2 ASP A1096 3.797 28.125 -8.413 1.00 34.15 O ATOM 1200 H ASP A1096 0.979 29.840 -6.872 1.00 0.00 H ATOM 1201 N PHE A1097 1.875 32.829 -6.319 1.00 24.76 N ATOM 1202 CA PHE A1097 1.778 34.298 -6.137 1.00 22.00 C ATOM 1203 C PHE A1097 1.596 34.583 -4.652 1.00 21.78 C ATOM 1204 O PHE A1097 2.343 35.446 -4.090 1.00 23.30 O ATOM 1205 CB PHE A1097 0.643 34.916 -6.947 1.00 21.39 C ATOM 1206 CG PHE A1097 0.550 36.406 -6.755 1.00 20.30 C ATOM 1207 CD1 PHE A1097 1.325 37.269 -7.507 1.00 21.74 C ATOM 1208 CD2 PHE A1097 -0.292 36.937 -5.798 1.00 20.67 C ATOM 1209 CE1 PHE A1097 1.267 38.636 -7.282 1.00 22.35 C ATOM 1210 CE2 PHE A1097 -0.357 38.299 -5.584 1.00 20.37 C ATOM 1211 CZ PHE A1097 0.427 39.146 -6.325 1.00 20.07 C ATOM 1212 H PHE A1097 1.109 32.335 -6.819 1.00 0.00 H ATOM 1213 N GLU A1098 0.647 33.888 -4.023 1.00 21.89 N ATOM 1214 CA GLU A1098 0.408 34.010 -2.563 1.00 22.74 C ATOM 1215 C GLU A1098 1.719 33.708 -1.819 1.00 23.93 C ATOM 1216 O GLU A1098 2.082 34.505 -0.979 1.00 21.91 O ATOM 1217 CB GLU A1098 -0.727 33.116 -2.086 1.00 23.15 C ATOM 1218 CG GLU A1098 -1.017 33.227 -0.583 1.00 24.30 C ATOM 1219 CD GLU A1098 -1.310 34.611 -0.015 1.00 25.84 C ATOM 1220 OE1 GLU A1098 -1.433 35.568 -0.786 1.00 26.66 O ATOM 1221 OE2 GLU A1098 -1.428 34.736 1.218 1.00 26.54 O ATOM 1222 H GLU A1098 0.053 33.237 -4.575 1.00 0.00 H ATOM 1223 N GLN A1099 2.413 32.622 -2.175 1.00 28.21 N ATOM 1224 CA GLN A1099 3.648 32.134 -1.499 1.00 29.43 C ATOM 1225 C GLN A1099 4.746 33.207 -1.584 1.00 27.87 C ATOM 1226 O GLN A1099 5.409 33.435 -0.573 1.00 25.39 O ATOM 1227 CB GLN A1099 4.090 30.819 -2.141 1.00 32.24 C ATOM 1228 CG GLN A1099 5.261 30.171 -1.413 1.00 33.39 C ATOM 1229 CD GLN A1099 4.832 29.795 -0.024 1.00 36.84 C ATOM 1230 OE1 GLN A1099 3.718 29.334 0.169 1.00 39.48 O ATOM 1231 NE2 GLN A1099 5.707 30.005 0.946 1.00 35.78 N ATOM 1232 HE22 GLN A1099 6.643 30.400 0.725 1.00 0.00 H ATOM 1233 HE21 GLN A1099 5.459 29.775 1.929 1.00 0.00 H ATOM 1234 H GLN A1099 2.063 32.075 -2.987 1.00 0.00 H ATOM 1235 N LEU A1100 4.924 33.842 -2.751 1.00 24.59 N ATOM 1236 CA LEU A1100 5.868 34.974 -2.959 1.00 24.51 C ATOM 1237 C LEU A1100 5.509 36.115 -2.006 1.00 25.57 C ATOM 1238 O LEU A1100 6.434 36.668 -1.377 1.00 25.57 O ATOM 1239 CB LEU A1100 5.824 35.442 -4.420 1.00 24.94 C ATOM 1240 CG LEU A1100 6.699 36.650 -4.762 1.00 25.87 C ATOM 1241 CD1 LEU A1100 8.150 36.368 -4.437 1.00 28.40 C ATOM 1242 CD2 LEU A1100 6.557 37.047 -6.235 1.00 26.15 C ATOM 1243 H LEU A1100 4.364 33.522 -3.567 1.00 0.00 H ATOM 1244 N CYS A1101 4.222 36.464 -1.908 1.00 25.55 N ATOM 1245 CA CYS A1101 3.714 37.564 -1.049 1.00 23.79 C ATOM 1246 C CYS A1101 4.103 37.230 0.405 1.00 25.24 C ATOM 1247 O CYS A1101 4.656 38.114 1.096 1.00 24.81 O ATOM 1248 CB CYS A1101 2.212 37.786 -1.223 1.00 22.27 C ATOM 1249 SG CYS A1101 1.739 38.609 -2.769 1.00 23.54 S ATOM 1250 H CYS A1101 3.530 35.929 -2.471 1.00 0.00 H ATOM 1251 N GLU A1102 3.893 35.985 0.823 1.00 26.90 N ATOM 1252 CA GLU A1102 4.177 35.520 2.202 1.00 30.46 C ATOM 1253 C GLU A1102 5.683 35.635 2.427 1.00 30.35 C ATOM 1254 O GLU A1102 6.067 36.257 3.422 1.00 29.80 O ATOM 1255 CB GLU A1102 3.571 34.136 2.441 1.00 32.39 C ATOM 1256 CG GLU A1102 2.051 34.199 2.504 1.00 35.03 C ATOM 1257 CD GLU A1102 1.275 32.916 2.776 1.00 39.62 C ATOM 1258 OE1 GLU A1102 1.911 31.938 3.160 1.00 43.25 O ATOM 1259 OE2 GLU A1102 0.013 32.899 2.598 1.00 41.50 O ATOM 1260 H GLU A1102 3.508 35.298 0.144 1.00 0.00 H ATOM 1261 N GLU A1103 6.506 35.176 1.482 1.00 30.28 N ATOM 1262 CA GLU A1103 7.983 35.185 1.648 1.00 31.14 C ATOM 1263 C GLU A1103 8.476 36.636 1.683 1.00 31.95 C ATOM 1264 O GLU A1103 9.356 36.897 2.494 1.00 34.36 O ATOM 1265 CB GLU A1103 8.676 34.308 0.602 1.00 32.52 C ATOM 1266 CG GLU A1103 8.411 32.840 0.864 1.00 32.47 C ATOM 1267 CD GLU A1103 9.035 31.835 -0.082 1.00 30.09 C ATOM 1268 OE1 GLU A1103 9.923 32.220 -0.846 1.00 30.37 O ATOM 1269 OE2 GLU A1103 8.637 30.669 -0.008 1.00 28.33 O ATOM 1270 H GLU A1103 6.101 34.800 0.601 1.00 0.00 H ATOM 1271 N ILE A1104 7.929 37.562 0.891 1.00 30.56 N ATOM 1272 CA ILE A1104 8.381 38.977 0.979 1.00 32.81 C ATOM 1273 C ILE A1104 7.988 39.521 2.359 1.00 38.91 C ATOM 1274 O ILE A1104 8.840 40.186 2.993 1.00 41.59 O ATOM 1275 CB ILE A1104 7.825 39.862 -0.133 1.00 33.20 C ATOM 1276 CG1 ILE A1104 8.245 39.393 -1.528 1.00 33.27 C ATOM 1277 CG2 ILE A1104 8.259 41.292 0.117 1.00 35.27 C ATOM 1278 CD1 ILE A1104 7.448 40.014 -2.654 1.00 30.71 C ATOM 1279 H ILE A1104 7.187 37.294 0.213 1.00 0.00 H ATOM 1280 N GLN A1105 6.766 39.224 2.817 1.00 40.59 N ATOM 1281 CA GLN A1105 6.223 39.719 4.108 1.00 43.68 C ATOM 1282 C GLN A1105 7.121 39.213 5.253 1.00 45.97 C ATOM 1283 O GLN A1105 7.549 40.060 6.043 1.00 51.27 O ATOM 1284 CB GLN A1105 4.759 39.312 4.284 1.00 42.29 C ATOM 1285 CG GLN A1105 4.125 39.917 5.528 1.00 42.45 C ATOM 1286 CD GLN A1105 2.827 39.237 5.879 1.00 47.20 C ATOM 1287 OE1 GLN A1105 2.769 38.012 5.940 1.00 49.68 O ATOM 1288 NE2 GLN A1105 1.779 40.020 6.115 1.00 42.67 N ATOM 1289 HE22 GLN A1105 1.877 41.053 6.051 1.00 0.00 H ATOM 1290 HE21 GLN A1105 0.861 39.599 6.364 1.00 0.00 H ATOM 1291 H GLN A1105 6.161 38.610 2.235 1.00 0.00 H ATOM 1292 N GLU A1106 7.400 37.904 5.319 1.00 48.00 N ATOM 1293 CA GLU A1106 8.258 37.242 6.341 1.00 51.91 C ATOM 1294 C GLU A1106 9.657 37.873 6.354 1.00 54.81 C ATOM 1295 O GLU A1106 10.236 37.952 7.450 1.00 58.42 O ATOM 1296 CB GLU A1106 8.407 35.743 6.070 1.00 58.66 C ATOM 1297 CG GLU A1106 7.177 34.913 6.398 1.00 67.79 C ATOM 1298 CD GLU A1106 6.909 33.733 5.460 1.00 76.71 C ATOM 1299 OE1 GLU A1106 7.841 32.937 5.193 1.00 74.45 O ATOM 1300 OE2 GLU A1106 5.757 33.603 4.988 1.00 87.31 O ATOM 1301 H GLU A1106 6.979 37.294 4.590 1.00 0.00 H ATOM 1302 N SER A1107 10.172 38.312 5.198 1.00 52.17 N ATOM 1303 CA SER A1107 11.545 38.861 5.028 1.00 56.98 C ATOM 1304 C SER A1107 11.643 40.311 5.526 1.00 61.36 C ATOM 1305 O SER A1107 12.730 40.889 5.388 1.00 62.99 O ATOM 1306 CB SER A1107 12.009 38.770 3.588 1.00 55.58 C ATOM 1307 OG SER A1107 11.447 39.814 2.793 1.00 51.41 O ATOM 1308 HG SER A1107 11.769 39.727 1.861 1.00 0.00 H ATOM 1309 H SER A1107 9.566 38.266 4.354 1.00 0.00 H ATOM 1310 N ARG A1108 10.570 40.889 6.073 1.00 67.84 N ATOM 1311 CA ARG A1108 10.568 42.274 6.628 1.00 69.57 C ATOM 1312 C ARG A1108 10.389 42.194 8.151 1.00 72.62 C ATOM 1313 O ARG A1108 9.545 41.474 8.690 1.00 72.29 O ATOM 1314 CB ARG A1108 9.501 43.107 5.909 1.00 67.52 C ATOM 1315 CG ARG A1108 9.676 43.096 4.397 1.00 68.84 C ATOM 1316 CD ARG A1108 8.701 43.955 3.622 1.00 68.35 C ATOM 1317 NE ARG A1108 9.157 44.163 2.246 1.00 67.42 N ATOM 1318 CZ ARG A1108 8.533 44.927 1.349 1.00 69.31 C ATOM 1319 NH1 ARG A1108 9.023 45.056 0.122 1.00 65.19 N ATOM 1320 NH2 ARG A1108 7.412 45.554 1.683 1.00 69.13 N ATOM 1321 OXT ARG A1108 11.112 42.849 8.898 1.00 79.46 O ATOM 1322 HE ARG A1108 10.029 43.681 1.948 1.00 0.00 H ATOM 1323 HH12 ARG A1108 8.532 45.653 -0.574 1.00 0.00 H ATOM 1324 HH11 ARG A1108 9.898 44.560 -0.143 1.00 0.00 H ATOM 1325 HH22 ARG A1108 6.922 46.151 0.986 1.00 0.00 H ATOM 1326 HH21 ARG A1108 7.023 45.449 2.642 1.00 0.00 H ATOM 1327 H ARG A1108 9.686 40.343 6.114 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 -31.704 41.767 -9.387 1.00 69.64 O HETATM 1330 O HOH 2 -18.866 42.192 22.152 1.00 59.18 O HETATM 1331 O HOH 3 -0.681 42.199 5.211 1.00 33.82 O HETATM 1332 O HOH 4 -37.730 29.315 13.640 1.00 27.86 O HETATM 1333 O HOH 5 -12.780 48.835 19.599 1.00 51.40 O HETATM 1334 O HOH 6 3.948 47.958 -2.122 1.00 55.51 O HETATM 1335 O HOH 7 -8.764 34.469 8.464 1.00 53.23 O HETATM 1336 O HOH 8 -30.207 39.950 17.764 1.00 43.66 O HETATM 1337 O HOH 9 -3.818 31.644 -14.002 1.00 52.53 O HETATM 1338 O HOH 10 -14.234 32.541 -9.949 1.00 38.56 O HETATM 1339 O HOH 11 -22.910 53.761 7.359 1.00 38.37 O HETATM 1340 O HOH 12 3.324 40.399 -10.009 1.00 40.36 O HETATM 1341 O HOH 13 9.949 33.266 3.907 1.00 43.56 O HETATM 1342 O HOH 14 -33.214 40.057 16.479 1.00 65.85 O HETATM 1343 O HOH 15 12.111 39.894 0.237 1.00 49.53 O HETATM 1344 O HOH 16 -23.070 50.486 -0.490 1.00 60.98 O HETATM 1345 O HOH 17 3.735 50.793 -5.983 1.00 55.81 O HETATM 1346 O HOH 18 -23.522 37.026 20.368 1.00 45.49 O HETATM 1347 O HOH 19 -20.673 40.285 -8.027 1.00 37.94 O HETATM 1348 O HOH 20 -9.671 52.181 -4.616 1.00 45.07 O HETATM 1349 O HOH 21 -24.144 45.146 -2.271 1.00 29.72 O HETATM 1350 O HOH 22 -16.038 28.988 -0.371 1.00 29.21 O HETATM 1351 O HOH 23 11.280 35.481 3.411 1.00 38.73 O HETATM 1352 O HOH 24 -29.959 44.504 1.974 1.00 46.66 O HETATM 1353 O HOH 25 0.051 36.593 5.745 1.00 33.81 O HETATM 1354 O HOH 26 -16.170 39.089 15.462 1.00 34.19 O HETATM 1355 O HOH 27 -15.527 34.081 9.945 1.00 45.81 O HETATM 1356 O HOH 28 -26.612 32.316 16.679 1.00 63.23 O HETATM 1357 O HOH 29 -9.103 45.946 13.160 1.00 49.33 O HETATM 1358 O HOH 30 -13.093 36.547 12.573 1.00 33.60 O HETATM 1359 O HOH 31 -16.868 48.824 9.728 1.00 41.79 O HETATM 1360 O HOH 32 -5.618 41.577 8.243 1.00 40.88 O HETATM 1361 O HOH 33 2.020 28.717 -10.251 1.00 57.15 O HETATM 1362 O HOH 34 -3.563 34.870 -11.172 1.00 69.31 O HETATM 1363 O HOH 35 11.713 34.082 -1.354 1.00 26.78 O HETATM 1364 O HOH 36 -15.373 52.602 5.930 1.00 54.51 O HETATM 1365 O HOH 37 0.688 36.852 -11.424 1.00 23.21 O HETATM 1366 O HOH 38 -10.677 37.524 11.480 1.00 30.71 O HETATM 1367 O HOH 39 -18.860 35.283 15.658 1.00 43.09 O HETATM 1368 O HOH 40 9.835 39.193 10.005 1.00 61.09 O HETATM 1369 O HOH 41 -30.076 34.515 20.710 1.00 63.92 O HETATM 1370 O HOH 42 -9.382 39.599 -9.211 1.00 39.90 O HETATM 1371 O HOH 43 -29.951 44.038 -0.623 1.00 42.41 O HETATM 1372 O HOH 44 -26.829 38.208 -5.681 1.00 45.21 O HETATM 1373 O HOH 45 -8.662 45.937 -9.450 1.00 17.81 O HETATM 1374 O HOH 46 -17.232 37.204 16.811 1.00 57.39 O HETATM 1375 O HOH 47 -36.859 39.016 12.375 1.00 41.10 O HETATM 1376 O HOH 48 3.800 48.470 -4.390 1.00 42.45 O HETATM 1377 O HOH 49 6.847 43.098 -12.404 1.00 49.24 O HETATM 1378 O HOH 50 -13.107 47.334 -5.116 1.00 41.32 O HETATM 1379 O HOH 51 -6.524 36.093 -11.060 1.00 27.95 O HETATM 1380 O HOH 52 -17.890 37.942 -9.572 1.00 36.04 O HETATM 1381 O HOH 53 -13.772 47.600 24.993 1.00 41.96 O HETATM 1382 O HOH 54 2.764 47.590 -11.445 1.00 51.27 O HETATM 1383 O HOH 55 -5.276 38.428 -10.994 1.00 18.20 O HETATM 1384 O HOH 56 9.392 29.048 2.031 1.00 44.64 O HETATM 1385 O HOH 57 -22.717 30.366 1.435 1.00 47.26 O HETATM 1386 O HOH 58 -11.703 47.232 13.187 1.00 48.87 O HETATM 1387 O HOH 59 4.019 27.901 -3.547 1.00 36.61 O HETATM 1388 O HOH 60 -9.102 54.322 -0.580 1.00 33.08 O HETATM 1389 O HOH 61 -22.095 33.622 -4.361 1.00 31.83 O HETATM 1390 O HOH 62 -13.820 52.923 0.828 1.00 36.93 O HETATM 1391 O HOH 63 5.416 39.104 -8.792 1.00 34.62 O HETATM 1392 O HOH 64 -32.045 41.369 8.526 1.00 50.85 O HETATM 1393 O HOH 65 -14.399 43.299 -9.953 1.00 39.63 O HETATM 1394 O HOH 66 0.234 29.631 -1.384 1.00 52.02 O HETATM 1395 O HOH 67 -8.506 44.404 10.909 1.00 42.79 O HETATM 1396 O HOH 68 -29.778 41.544 15.978 1.00 65.96 O HETATM 1397 O HOH 69 14.935 47.226 -9.427 1.00 68.22 O HETATM 1398 O HOH 70 -34.733 34.774 7.536 1.00 24.23 O HETATM 1399 O HOH 71 -18.622 45.278 11.330 1.00 24.99 O HETATM 1400 O HOH 72 9.137 36.029 9.089 1.00 72.47 O HETATM 1401 O HOH 73 -2.260 52.273 -3.613 1.00 38.54 O HETATM 1402 O HOH 74 6.428 46.123 4.201 1.00 50.45 O HETATM 1403 O HOH 75 -22.293 52.349 16.839 1.00 48.61 O HETATM 1404 O HOH 76 -6.635 34.265 6.751 1.00 43.20 O HETATM 1405 O HOH 77 -22.401 29.333 4.610 1.00 56.94 O HETATM 1406 O HOH 78 1.366 30.890 0.635 1.00 51.16 O HETATM 1407 O HOH 79 -17.425 35.686 -9.643 1.00 41.93 O HETATM 1408 O HOH 80 -7.443 54.347 1.654 1.00 32.97 O HETATM 1409 O HOH 81 -27.571 42.924 2.430 1.00 31.29 O HETATM 1410 O HOH 82 -1.102 54.197 0.588 1.00 46.09 O HETATM 1411 O HOH 83 -28.893 41.603 5.861 1.00 47.07 O HETATM 1412 O HOH 84 -21.879 48.582 -3.587 1.00 50.36 O HETATM 1413 O HOH 85 -18.287 49.224 -0.175 1.00 40.22 O HETATM 1414 O HOH 86 -24.261 33.454 15.620 1.00 54.00 O HETATM 1415 O HOH 87 -35.238 36.085 18.079 1.00 52.26 O HETATM 1416 O HOH 88 -12.951 53.744 5.225 1.00 44.80 O HETATM 1417 O HOH 89 -15.495 48.268 -5.564 1.00 44.19 O HETATM 1418 O HOH 90 -19.244 49.801 11.590 1.00 56.66 O HETATM 1419 O HOH 91 -18.614 30.686 6.093 1.00 50.64 O HETATM 1420 O HOH 92 -12.644 41.547 17.044 1.00 59.39 O HETATM 1421 O HOH 93 -9.834 29.903 -0.620 1.00 31.85 O HETATM 1422 O HOH 94 -13.880 27.923 -5.968 1.00 36.67 O HETATM 1423 O HOH 95 -13.358 49.097 9.798 1.00 48.75 O HETATM 1424 O HOH 96 -3.084 46.394 0.662 1.00 24.08 O HETATM 1425 O HOH 97 -18.057 48.833 -5.848 1.00 47.54 O HETATM 1426 O HOH 98 10.712 48.442 -2.608 1.00 54.77 O HETATM 1427 O HOH 99 -1.567 38.796 -13.726 1.00 19.90 O HETATM 1428 O HOH 100 -6.763 34.322 -12.623 1.00 52.28 O HETATM 1429 O HOH 101 -0.622 35.802 8.155 1.00 49.86 O HETATM 1430 O HOH 102 -36.390 32.388 11.480 1.00 27.53 O HETATM 1431 O HOH 103 -24.017 31.690 -2.448 1.00 43.55 O HETATM 1432 O HOH 104 -2.425 27.904 -7.905 1.00 35.64 O HETATM 1433 O HOH 105 -5.546 29.365 -4.511 1.00 56.23 O HETATM 1434 O HOH 106 -18.679 44.486 24.053 1.00 48.58 O HETATM 1435 O HOH 107 -8.133 27.804 -11.506 1.00 53.57 O HETATM 1436 O HOH 108 -15.631 49.594 17.982 1.00 44.31 O HETATM 1437 O HOH 109 -7.771 32.366 5.889 1.00 55.03 O HETATM 1438 O HOH 110 -24.789 31.094 3.335 1.00 37.94 O HETATM 1439 O HOH 111 -1.280 34.907 -11.194 1.00 51.75 O HETATM 1440 O HOH 112 -1.309 32.339 -12.659 1.00 34.11 O HETATM 1441 O HOH 113 -16.216 42.230 18.953 1.00 43.30 O HETATM 1442 O HOH 114 -30.729 30.002 14.803 1.00 41.10 O HETATM 1443 O HOH 115 -29.035 31.442 8.979 1.00 53.12 O HETATM 1444 O HOH 116 8.933 40.055 -6.000 1.00 45.77 O HETATM 1445 O HOH 117 -20.594 38.106 -5.414 1.00 43.33 O HETATM 1446 O HOH 118 -14.935 42.604 16.649 1.00 32.30 O HETATM 1447 O HOH 119 0.954 50.968 5.389 1.00 57.77 O HETATM 1448 O HOH 120 -25.259 31.002 11.808 1.00 53.04 O HETATM 1449 O HOH 121 0.027 46.663 -0.437 1.00 25.91 O HETATM 1450 O HOH 122 -15.700 29.034 -7.701 1.00 46.31 O HETATM 1451 O HOH 123 -7.716 47.667 10.939 1.00 42.03 O HETATM 1452 O HOH 124 -27.478 33.374 -0.691 1.00 37.64 O HETATM 1453 O HOH 125 -33.443 42.664 6.827 1.00 45.15 O HETATM 1454 O HOH 126 -0.414 46.259 7.736 1.00 55.89 O HETATM 1455 O HOH 127 -3.657 54.324 -2.904 1.00 53.18 O HETATM 1456 O HOH 128 -5.638 26.615 -4.513 1.00 66.76 O HETATM 1457 O HOH 129 14.734 40.937 -3.207 1.00 70.53 O HETATM 1458 O HOH 130 1.340 25.869 -6.404 1.00 64.19 O HETATM 1459 O HOH 131 -26.207 41.606 20.269 1.00 50.28 O HETATM 1460 O HOH 132 7.255 40.755 -9.834 1.00 59.96 O HETATM 1461 O HOH 133 -33.052 33.483 19.831 1.00 39.08 O HETATM 1462 O HOH 134 -26.480 40.589 -7.119 1.00 37.78 O HETATM 1463 O HOH 135 -25.395 46.787 -6.428 1.00 59.24 O HETATM 1464 O HOH 136 -21.925 31.580 -1.027 1.00 47.36 O HETATM 1465 O HOH 137 -15.703 51.794 -0.811 1.00 55.97 O HETATM 1466 O HOH 138 -30.427 30.974 16.976 1.00 51.80 O HETATM 1467 O HOH 139 -17.628 32.594 -5.677 1.00 50.63 O HETATM 1468 O HOH 140 -31.776 42.167 -1.411 1.00 48.77 O HETATM 1469 O HOH 141 -4.491 43.804 8.358 1.00 48.04 O HETATM 1470 O HOH 142 11.135 43.324 12.266 1.00 71.66 O HETATM 1471 O HOH 143 -15.440 28.620 2.252 1.00 50.38 O HETATM 1472 O HOH 144 -14.315 29.492 4.457 1.00 45.90 O HETATM 1473 O HOH 145 -16.127 31.672 -7.698 1.00 40.34 O HETATM 1474 O HOH 146 -11.702 49.456 15.813 1.00 54.71 O HETATM 1475 O HOH 147 -5.097 32.953 8.686 1.00 57.93 O HETATM 1476 O HOH 148 15.301 47.534 -7.159 1.00 59.71 O HETATM 1477 O HOH 149 -19.101 47.932 10.688 1.00 38.32 O HETATM 1478 O HOH 150 -9.695 34.998 10.991 1.00 39.15 O HETATM 1479 O HOH 151 -11.336 46.672 -9.132 1.00 36.89 O HETATM 1480 O HOH 152 15.115 42.102 -1.220 1.00 60.89 O HETATM 1481 O HOH 153 -19.805 30.138 -2.372 1.00 44.67 O HETATM 1482 O HOH 154 1.911 26.973 -2.811 1.00 62.75 O HETATM 1483 O HOH 155 -28.452 28.697 12.972 1.00 63.28 O HETATM 1484 O HOH 156 -13.838 27.814 -1.472 1.00 30.85 O HETATM 1485 O HOH 157 -30.081 43.805 6.530 1.00 50.65 O HETATM 1486 O HOH 158 -41.290 33.939 13.473 1.00 60.62 O HETATM 1487 O HOH 159 -1.237 22.802 -1.675 1.00 59.71 O HETATM 1488 O HOH 160 -7.404 29.800 -2.011 1.00 65.29 O HETATM 1489 O HOH 161 -18.325 28.026 -1.631 1.00 42.63 O HETATM 1490 O HOH 162 4.662 50.534 1.480 1.00 59.48 O HETATM 1491 O HOH 163 2.760 47.300 0.187 1.00 28.64 O HETATM 1492 O HOH 164 5.543 37.811 8.578 1.00 62.49 O HETATM 1493 O HOH 165 -10.296 51.217 7.606 1.00 54.87 O HETATM 1494 O HOH 166 1.128 53.781 1.690 1.00 54.97 O HETATM 1495 O HOH 167 0.289 26.753 -8.505 1.00 47.01 O HETATM 1496 O HOH 168 -11.963 54.253 -0.503 1.00 51.75 O HETATM 1497 O HOH 169 -11.144 55.484 5.995 1.00 51.98 O HETATM 1498 O HOH 170 -17.731 33.203 10.977 1.00 52.55 O HETATM 1499 O HOH 171 -26.309 30.690 7.803 1.00 62.21 O HETATM 1500 O HOH 172 -26.181 31.299 -0.356 1.00 43.21 O HETATM 1501 O HOH 173 -11.414 27.582 -0.453 1.00 47.66 O HETATM 1502 O HOH 174 -13.454 38.927 15.990 1.00 47.95 O HETATM 1503 O HOH 175 -8.582 52.316 6.423 1.00 53.48 O HETATM 1504 O HOH 176 -8.319 42.353 -12.332 1.00 22.96 O HETATM 1505 O HOH 177 -12.429 48.734 -7.516 1.00 51.75 O HETATM 1506 O HOH 178 15.916 38.651 4.458 1.00 51.43 O HETATM 1507 O HOH 179 -13.227 33.791 12.048 1.00 58.07 O HETATM 1508 O HOH 180 -11.872 26.140 -7.372 1.00 51.20 O HETATM 1509 O HOH 181 -5.340 55.925 0.589 1.00 40.67 O HETATM 1510 O HOH 182 -14.876 26.713 -3.653 1.00 30.85 O HETATM 1511 O HOH 183 -25.010 29.425 5.197 1.00 56.43 O HETATM 1512 O HOH 184 -20.762 41.389 23.590 1.00 69.25 O HETATM 1513 O HOH 185 4.146 47.995 2.174 1.00 56.18 O HETATM 1514 O HOH 186 -24.888 49.527 -2.389 1.00 49.76 O HETATM 1515 O HOH 187 -9.264 39.224 13.084 1.00 54.70 O HETATM 1516 O HOH 188 -5.807 50.416 8.675 1.00 54.98 O HETATM 1517 O HOH 189 -27.738 34.858 22.017 1.00 68.61 O HETATM 1518 O HOH 190 -13.887 41.649 20.153 1.00 61.97 O HETATM 1519 O HOH 191 3.880 52.268 -4.050 1.00 47.25 O HETATM 1520 O HOH 192 -21.085 34.688 -6.954 1.00 52.78 O HETATM 1521 O HOH 193 -17.800 33.496 14.027 1.00 46.83 O HETATM 1522 O HOH 194 -29.378 45.879 8.078 1.00 46.83 O HETATM 1523 O HOH 195 -2.784 30.030 -2.028 1.00 38.16 O HETATM 1524 O HOH 196 -12.347 36.745 15.980 1.00 59.73 O HETATM 1525 O HOH 197 -35.353 32.525 8.973 1.00 30.15 O HETATM 1526 O HOH 198 -19.382 30.710 -4.873 1.00 39.13 O HETATM 1527 O HOH 199 -7.885 24.518 -4.895 1.00 62.47 O HETATM 1528 O HOH 200 -32.965 44.677 -5.041 1.00 60.44 O HETATM 1529 O HOH 201 -19.190 36.856 -7.133 1.00 56.57 O HETATM 1530 O HOH 202 -18.468 50.750 14.237 1.00 58.91 O HETATM 1531 O HOH 203 -24.140 30.338 9.815 1.00 48.29 O HETATM 1532 O HOH 204 -0.835 38.415 12.469 1.00 61.22 O HETATM 1533 O HOH 205 -26.413 46.704 -3.878 1.00 53.93 O HETATM 1534 O HOH 206 -15.211 33.273 14.980 1.00 59.28 O HETATM 1535 O HOH 207 -4.925 48.838 11.445 1.00 56.19 O HETATM 1536 O HOH 208 -5.044 31.625 0.295 1.00 47.12 O HETATM 1537 O HOH 209 -3.312 57.173 1.320 1.00 48.09 O HETATM 1538 O HOH 210 -23.096 30.432 13.834 1.00 63.25 O HETATM 1539 O HOH 211 -2.359 27.721 4.927 1.00 76.45 O HETATM 1540 O HOH 212 -18.626 34.144 -7.575 1.00 48.03 O HETATM 1541 O HOH 213 -16.866 51.879 12.088 1.00 56.89 O HETATM 1542 O HOH 214 -17.465 26.988 -3.821 1.00 43.49 O HETATM 1543 O HOH 215 -9.280 28.072 3.104 1.00 60.35 O HETATM 1544 O HOH 216 -7.934 30.073 1.441 1.00 62.77 O HETATM 1545 O HOH 217 -18.188 28.172 -5.730 1.00 48.79 O HETATM 1546 O HOH 218 -8.704 27.844 10.298 1.00 76.43 O HETATM 1547 O HOH 219 12.995 33.746 10.990 1.00 59.01 O HETATM 1548 O HOH 220 -42.099 37.849 18.698 1.00 46.64 O HETATM 1549 C10 KW A 5 -27.565 44.146 10.448 1.00 -0.04 C HETATM 1550 C13 KW A 5 -26.209 44.189 9.805 1.00 0.03 C HETATM 1551 N16 KW A 5 -25.194 44.220 10.865 1.00 -0.23 N HETATM 1552 C17 KW A 5 -25.303 45.412 11.721 1.00 0.03 C HETATM 1553 C05 KW A 5 -26.665 45.436 12.400 1.00 -0.03 C HETATM 1554 C01 KW A 5 -26.808 46.680 13.260 1.00 -0.06 C HETATM 1555 H8 KW A 5 -27.797 46.681 13.742 1.00 0.02 H HETATM 1556 H9 KW A 5 -26.707 47.575 12.629 1.00 0.02 H HETATM 1557 H10 KW A 5 -26.024 46.685 14.031 1.00 0.02 H HETATM 1558 C07 KW A 5 -27.758 45.355 11.347 1.00 -0.05 C HETATM 1559 H12 KW A 5 -28.734 45.278 11.848 1.00 0.03 H HETATM 1560 H13 KW A 5 -27.733 46.267 10.732 1.00 0.03 H HETATM 1561 H11 KW A 5 -26.747 44.555 13.054 1.00 0.03 H HETATM 1562 H5 KW A 5 -24.514 45.385 12.487 1.00 0.05 H HETATM 1563 H6 KW A 5 -25.186 46.316 11.105 1.00 0.05 H HETATM 1564 S20 KW A 5 -23.740 43.549 10.571 1.00 0.07 S HETATM 1565 O21 KW A 5 -23.991 42.394 9.771 1.00 -0.15 O HETATM 1566 O22 KW A 5 -23.102 43.400 11.842 1.00 -0.15 O HETATM 1567 C23 KW A 5 -22.741 44.650 9.580 1.00 0.10 C HETATM 1568 C24 KW A 5 -23.358 45.792 9.093 1.00 -0.01 C HETATM 1569 C26 KW A 5 -22.652 46.699 8.308 1.00 0.07 C HETATM 1570 N27 KW A 5 -23.232 47.886 7.798 1.00 -0.23 N HETATM 1571 C29 KW A 5 -24.511 48.314 7.888 1.00 0.23 C HETATM 1572 O30 KW A 5 -25.416 47.699 8.450 1.00 -0.38 O HETATM 1573 C31 KW A 5 -24.753 49.658 7.225 1.00 0.15 C HETATM 1574 N34 KW A 5 -26.102 50.186 7.344 1.00 -0.15 N HETATM 1575 C35 KW A 5 -26.596 50.875 8.465 1.00 0.23 C HETATM 1576 O36 KW A 5 -25.960 51.099 9.491 1.00 -0.38 O HETATM 1577 C37 KW A 5 -28.016 51.252 8.141 1.00 0.13 C HETATM 1578 N40 KW A 5 -28.174 50.711 6.807 1.00 -0.25 N HETATM 1579 C42 KW A 5 -27.063 50.105 6.350 1.00 0.29 C HETATM 1580 O43 KW A 5 -26.904 49.562 5.262 1.00 -0.39 O HETATM 1581 H19 KW A 5 -29.021 50.781 6.280 1.00 0.19 H HETATM 1582 H17 KW A 5 -28.151 52.344 8.148 1.00 0.08 H HETATM 1583 H18 KW A 5 -28.723 50.790 8.846 1.00 0.08 H HETATM 1584 H15 KW A 5 -24.525 49.553 6.154 1.00 0.08 H HETATM 1585 H16 KW A 5 -24.064 50.387 7.677 1.00 0.08 H HETATM 1586 H14 KW A 5 -22.609 48.491 7.303 1.00 0.23 H HETATM 1587 C44 KW A 5 -21.314 46.452 8.009 1.00 -0.04 C HETATM 1588 C46 KW A 5 -20.690 45.312 8.483 1.00 -0.06 C HETATM 1589 C48 KW A 5 -21.395 44.408 9.263 1.00 0.02 C HETATM 1590 BR1 KW A 5 -20.448 42.880 9.869 1.00 -0.06 BR HETATM 1591 H21 KW A 5 -19.649 45.125 8.245 1.00 0.06 H HETATM 1592 H20 KW A 5 -20.759 47.157 7.401 1.00 0.05 H HETATM 1593 H7 KW A 5 -24.400 45.980 9.326 1.00 0.05 H HETATM 1594 H3 KW A 5 -26.122 45.091 9.181 1.00 0.05 H HETATM 1595 H4 KW A 5 -26.066 43.295 9.180 1.00 0.05 H HETATM 1596 H1 KW A 5 -27.653 43.229 11.049 1.00 0.03 H HETATM 1597 H2 KW A 5 -28.338 44.148 9.666 1.00 0.03 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1549 1550 1558 1596 1597 CONECT 1550 1549 1551 1594 1595 CONECT 1551 1550 1552 1564 CONECT 1552 1551 1553 1562 1563 CONECT 1553 1552 1554 1558 1561 CONECT 1554 1553 1555 1556 1557 CONECT 1555 1554 CONECT 1556 1554 CONECT 1557 1554 CONECT 1558 1549 1553 1559 1560 CONECT 1559 1558 CONECT 1560 1558 CONECT 1561 1553 CONECT 1562 1552 CONECT 1563 1552 CONECT 1564 1551 1565 1566 1567 CONECT 1565 1564 CONECT 1566 1564 CONECT 1567 1564 1568 1589 CONECT 1568 1567 1569 1593 CONECT 1569 1568 1570 1587 CONECT 1570 1569 1571 1586 CONECT 1571 1570 1572 1573 CONECT 1572 1571 CONECT 1573 1571 1574 1584 1585 CONECT 1574 1573 1575 1579 CONECT 1575 1574 1576 1577 CONECT 1576 1575 CONECT 1577 1575 1578 1582 1583 CONECT 1578 1577 1579 1581 CONECT 1579 1574 1578 1580 CONECT 1580 1579 CONECT 1581 1578 CONECT 1582 1577 CONECT 1583 1577 CONECT 1584 1573 CONECT 1585 1573 CONECT 1586 1570 CONECT 1587 1569 1588 1592 CONECT 1588 1587 1589 1591 CONECT 1589 1567 1588 1590 CONECT 1590 1589 CONECT 1591 1588 CONECT 1592 1587 CONECT 1593 1568 CONECT 1594 1550 CONECT 1595 1550 CONECT 1596 1549 CONECT 1597 1549 MASTER 0 0 0 0 0 0 0 0 1596 1 53 10 END
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Structure:
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6s55
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human ATAD2 bromodomain
Ligand Name
KW5
EC.Number
E.C.3.6.1.3
Resolution
2.09(Å)
Affinity (Kd/Ki/IC50)
IC50=631nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 7506-7525
Ligand Properties
Formula
C
1
7
H
2
1
BrN
4
O
5
S
Molecular Weight
473.341
Exact Mass
472.042
No. of atoms
49
No. of bonds
51
Polar Surface Area
124.27
LOGP Value
1.16 (
Computed with XLOGP3
)
2.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
C[C@H]1CCCN(C1)S(=O)(=O)c1cc(ccc1Br)NC(=O)CN1C(=O)CNC1=O
InChI String
InChI=1S/C17H21BrN4O5S/c1-11-3-2-6-21(9-11)28(26,27)14-7-12(4-5-13(14)18)20-15(23)10-22-16(24)8-19-17(22)25/h4-5,7,11H,2-3,6,8-10H2,1H3,(H,19,25)(H,20,23)/t11-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q6PL18
Entrez Gene ID
NCBI Entrez Gene ID:
29028
ASD
Information of known allosteric effects of PDB entries
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