Browse entries in the PDBbind-CN Database
HEADER 6HDN_COMPLEX COMPND 6HDN_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 FZB A 329 45 ATOM 1 N SER A 979 12.966 45.608 -3.379 1.00 76.02 N ATOM 2 CA SER A 979 13.356 45.720 -4.816 1.00 78.52 C ATOM 3 C SER A 979 12.164 46.114 -5.678 1.00 80.94 C ATOM 4 O SER A 979 11.018 46.014 -5.245 1.00 77.46 O ATOM 5 CB SER A 979 13.921 44.393 -5.328 1.00 80.40 C ATOM 6 OG SER A 979 12.892 43.428 -5.476 1.00 76.12 O ATOM 7 HG SER A 979 13.281 42.580 -5.808 1.00 0.00 H ATOM 8 HN3 SER A 979 12.227 44.883 -3.277 1.00 0.00 H ATOM 9 HN2 SER A 979 12.603 46.524 -3.047 1.00 0.00 H ATOM 10 HN1 SER A 979 13.797 45.338 -2.815 1.00 0.00 H ATOM 11 N MET A 980 12.446 46.542 -6.906 1.00 83.78 N ATOM 12 CA MET A 980 11.401 46.892 -7.869 1.00 85.50 C ATOM 13 C MET A 980 10.507 45.691 -8.181 1.00 75.81 C ATOM 14 O MET A 980 9.291 45.834 -8.306 1.00 74.41 O ATOM 15 CB MET A 980 12.029 47.424 -9.164 1.00 92.03 C ATOM 16 CG MET A 980 11.035 47.921 -10.206 1.00 98.64 C ATOM 17 SD MET A 980 9.838 49.115 -9.572 1.00110.60 S ATOM 18 CE MET A 980 10.917 50.410 -8.963 1.00107.51 C ATOM 19 H MET A 980 13.442 46.631 -7.191 1.00 0.00 H ATOM 20 N GLN A 981 11.122 44.517 -8.312 1.00 71.74 N ATOM 21 CA GLN A 981 10.401 43.253 -8.489 1.00 74.65 C ATOM 22 C GLN A 981 9.357 43.056 -7.394 1.00 64.97 C ATOM 23 O GLN A 981 8.226 42.659 -7.666 1.00 61.08 O ATOM 24 CB GLN A 981 11.386 42.075 -8.475 1.00 82.02 C ATOM 25 CG GLN A 981 10.813 40.738 -8.934 1.00 87.66 C ATOM 26 CD GLN A 981 10.435 39.793 -7.794 1.00 92.06 C ATOM 27 OE1 GLN A 981 9.692 40.157 -6.876 1.00 91.38 O ATOM 28 NE2 GLN A 981 10.930 38.558 -7.863 1.00 92.49 N ATOM 29 HE22 GLN A 981 11.552 38.291 -8.652 1.00 0.00 H ATOM 30 HE21 GLN A 981 10.694 37.861 -7.128 1.00 0.00 H ATOM 31 H GLN A 981 12.162 44.496 -8.288 1.00 0.00 H ATOM 32 N GLU A 982 9.754 43.328 -6.155 1.00 59.69 N ATOM 33 CA GLU A 982 8.876 43.148 -5.004 1.00 59.45 C ATOM 34 C GLU A 982 7.748 44.176 -4.972 1.00 54.61 C ATOM 35 O GLU A 982 6.621 43.837 -4.627 1.00 48.94 O ATOM 36 CB GLU A 982 9.691 43.173 -3.710 1.00 60.59 C ATOM 37 CG GLU A 982 10.599 41.955 -3.590 1.00 64.61 C ATOM 38 CD GLU A 982 11.599 42.047 -2.456 1.00 68.32 C ATOM 39 OE1 GLU A 982 11.762 43.141 -1.872 1.00 70.69 O ATOM 40 OE2 GLU A 982 12.227 41.011 -2.156 1.00 64.85 O ATOM 41 H GLU A 982 10.720 43.680 -6.001 1.00 0.00 H ATOM 42 N GLU A 983 8.045 45.415 -5.358 1.00 54.76 N ATOM 43 CA GLU A 983 7.014 46.459 -5.444 1.00 58.71 C ATOM 44 C GLU A 983 5.957 46.053 -6.481 1.00 53.18 C ATOM 45 O GLU A 983 4.757 46.215 -6.245 1.00 51.19 O ATOM 46 CB GLU A 983 7.602 47.824 -5.840 1.00 64.87 C ATOM 47 CG GLU A 983 8.848 48.280 -5.082 1.00 75.43 C ATOM 48 CD GLU A 983 8.559 48.929 -3.743 1.00 84.89 C ATOM 49 OE1 GLU A 983 7.474 48.688 -3.171 1.00 87.11 O ATOM 50 OE2 GLU A 983 9.437 49.680 -3.257 1.00 92.53 O ATOM 51 H GLU A 983 9.028 45.649 -5.604 1.00 0.00 H ATOM 52 N ASP A 984 6.415 45.541 -7.624 1.00 48.79 N ATOM 53 CA ASP A 984 5.525 45.015 -8.670 1.00 53.21 C ATOM 54 C ASP A 984 4.638 43.880 -8.143 1.00 50.54 C ATOM 55 O ASP A 984 3.458 43.812 -8.473 1.00 46.69 O ATOM 56 CB ASP A 984 6.327 44.488 -9.869 1.00 55.86 C ATOM 57 CG ASP A 984 6.930 45.599 -10.735 1.00 59.02 C ATOM 58 OD1 ASP A 984 6.630 46.790 -10.524 1.00 61.19 O ATOM 59 OD2 ASP A 984 7.711 45.260 -11.644 1.00 64.05 O ATOM 60 H ASP A 984 7.443 45.513 -7.782 1.00 0.00 H ATOM 61 N THR A 985 5.222 42.988 -7.344 1.00 49.13 N ATOM 62 CA THR A 985 4.484 41.877 -6.760 1.00 48.23 C ATOM 63 C THR A 985 3.346 42.396 -5.887 1.00 47.40 C ATOM 64 O THR A 985 2.201 41.970 -6.044 1.00 41.95 O ATOM 65 CB THR A 985 5.399 40.945 -5.933 1.00 46.97 C ATOM 66 OG1 THR A 985 6.397 40.378 -6.788 1.00 49.22 O ATOM 67 CG2 THR A 985 4.601 39.818 -5.301 1.00 47.00 C ATOM 68 HG1 THR A 985 5.957 39.858 -7.507 1.00 0.00 H ATOM 69 H THR A 985 6.235 43.088 -7.131 1.00 0.00 H ATOM 70 N PHE A 986 3.656 43.316 -4.977 1.00 47.46 N ATOM 71 CA PHE A 986 2.628 43.857 -4.097 1.00 47.61 C ATOM 72 C PHE A 986 1.586 44.681 -4.855 1.00 45.35 C ATOM 73 O PHE A 986 0.423 44.682 -4.469 1.00 44.93 O ATOM 74 CB PHE A 986 3.229 44.672 -2.952 1.00 48.82 C ATOM 75 CG PHE A 986 3.976 43.843 -1.943 1.00 51.55 C ATOM 76 CD1 PHE A 986 3.442 42.653 -1.454 1.00 53.30 C ATOM 77 CD2 PHE A 986 5.200 44.264 -1.459 1.00 54.53 C ATOM 78 CE1 PHE A 986 4.132 41.897 -0.520 1.00 55.30 C ATOM 79 CE2 PHE A 986 5.891 43.511 -0.521 1.00 56.02 C ATOM 80 CZ PHE A 986 5.358 42.330 -0.053 1.00 54.38 C ATOM 81 H PHE A 986 4.637 43.651 -4.893 1.00 0.00 H ATOM 82 N ARG A 987 1.990 45.377 -5.912 1.00 44.81 N ATOM 83 CA ARG A 987 1.027 46.095 -6.739 1.00 47.35 C ATOM 84 C ARG A 987 0.044 45.123 -7.392 1.00 44.73 C ATOM 85 O ARG A 987 -1.171 45.366 -7.391 1.00 42.86 O ATOM 86 CB ARG A 987 1.721 46.940 -7.798 1.00 50.31 C ATOM 87 CG ARG A 987 0.766 47.892 -8.487 1.00 50.70 C ATOM 88 CD ARG A 987 1.482 49.059 -9.129 1.00 52.71 C ATOM 89 NE ARG A 987 0.522 50.030 -9.628 1.00 53.03 N ATOM 90 CZ ARG A 987 -0.009 50.004 -10.845 1.00 52.44 C ATOM 91 NH1 ARG A 987 0.333 49.056 -11.713 1.00 51.41 N ATOM 92 NH2 ARG A 987 -0.879 50.939 -11.193 1.00 52.22 N ATOM 93 HE ARG A 987 0.231 50.797 -8.989 1.00 0.00 H ATOM 94 HH12 ARG A 987 -0.089 49.045 -12.664 1.00 0.00 H ATOM 95 HH11 ARG A 987 1.022 48.326 -11.441 1.00 0.00 H ATOM 96 HH22 ARG A 987 -1.301 50.929 -12.143 1.00 0.00 H ATOM 97 HH21 ARG A 987 -1.140 51.684 -10.516 1.00 0.00 H ATOM 98 H ARG A 987 3.001 45.410 -6.152 1.00 0.00 H ATOM 99 N GLU A 988 0.555 44.017 -7.933 1.00 41.97 N ATOM 100 CA GLU A 988 -0.323 42.984 -8.504 1.00 41.37 C ATOM 101 C GLU A 988 -1.271 42.406 -7.443 1.00 42.15 C ATOM 102 O GLU A 988 -2.461 42.179 -7.717 1.00 40.28 O ATOM 103 CB GLU A 988 0.471 41.864 -9.190 1.00 44.12 C ATOM 104 CG GLU A 988 -0.428 40.713 -9.633 1.00 43.85 C ATOM 105 CD GLU A 988 0.195 39.794 -10.658 1.00 48.21 C ATOM 106 OE1 GLU A 988 1.352 40.022 -11.060 1.00 45.62 O ATOM 107 OE2 GLU A 988 -0.490 38.835 -11.065 1.00 43.95 O ATOM 108 H GLU A 988 1.586 43.883 -7.952 1.00 0.00 H ATOM 109 N LEU A 989 -0.758 42.191 -6.231 1.00 41.52 N ATOM 110 CA LEU A 989 -1.600 41.758 -5.120 1.00 41.70 C ATOM 111 C LEU A 989 -2.751 42.735 -4.882 1.00 43.55 C ATOM 112 O LEU A 989 -3.898 42.315 -4.758 1.00 40.25 O ATOM 113 CB LEU A 989 -0.786 41.579 -3.828 1.00 43.67 C ATOM 114 CG LEU A 989 -1.605 41.214 -2.577 1.00 43.43 C ATOM 115 CD1 LEU A 989 -2.300 39.875 -2.769 1.00 44.40 C ATOM 116 CD2 LEU A 989 -0.738 41.186 -1.327 1.00 46.63 C ATOM 117 H LEU A 989 0.260 42.334 -6.075 1.00 0.00 H ATOM 118 N ARG A 990 -2.448 44.033 -4.814 1.00 41.71 N ATOM 119 CA ARG A 990 -3.495 45.034 -4.581 1.00 41.10 C ATOM 120 C ARG A 990 -4.542 45.028 -5.700 1.00 39.58 C ATOM 121 O ARG A 990 -5.739 45.089 -5.433 1.00 39.23 O ATOM 122 CB ARG A 990 -2.891 46.434 -4.393 1.00 41.88 C ATOM 123 CG ARG A 990 -2.028 46.562 -3.142 1.00 43.32 C ATOM 124 CD ARG A 990 -1.661 48.014 -2.844 1.00 44.12 C ATOM 125 NE ARG A 990 -0.812 48.612 -3.877 1.00 44.12 N ATOM 126 CZ ARG A 990 0.520 48.541 -3.922 1.00 45.69 C ATOM 127 NH1 ARG A 990 1.208 47.874 -3.004 1.00 46.05 N ATOM 128 NH2 ARG A 990 1.172 49.133 -4.912 1.00 48.47 N ATOM 129 HE ARG A 990 -1.287 49.136 -4.639 1.00 0.00 H ATOM 130 HH12 ARG A 990 2.246 47.833 -3.060 1.00 0.00 H ATOM 131 HH11 ARG A 990 0.710 47.393 -2.229 1.00 0.00 H ATOM 132 HH22 ARG A 990 2.210 49.083 -4.955 1.00 0.00 H ATOM 133 HH21 ARG A 990 0.646 49.648 -5.646 1.00 0.00 H ATOM 134 H ARG A 990 -1.460 44.338 -4.927 1.00 0.00 H ATOM 135 N ILE A 991 -4.090 44.929 -6.947 1.00 40.06 N ATOM 136 CA ILE A 991 -5.008 44.868 -8.090 1.00 41.21 C ATOM 137 C ILE A 991 -5.949 43.660 -7.962 1.00 40.68 C ATOM 138 O ILE A 991 -7.174 43.791 -8.097 1.00 40.62 O ATOM 139 CB ILE A 991 -4.243 44.832 -9.424 1.00 40.69 C ATOM 140 CG1 ILE A 991 -3.524 46.173 -9.646 1.00 44.93 C ATOM 141 CG2 ILE A 991 -5.184 44.551 -10.588 1.00 42.76 C ATOM 142 CD1 ILE A 991 -2.431 46.120 -10.679 1.00 46.16 C ATOM 143 H ILE A 991 -3.064 44.894 -7.115 1.00 0.00 H ATOM 144 N PHE A 992 -5.369 42.504 -7.674 1.00 39.35 N ATOM 145 CA PHE A 992 -6.138 41.277 -7.467 1.00 39.36 C ATOM 146 C PHE A 992 -7.174 41.449 -6.339 1.00 40.13 C ATOM 147 O PHE A 992 -8.360 41.147 -6.526 1.00 39.74 O ATOM 148 CB PHE A 992 -5.189 40.105 -7.180 1.00 41.77 C ATOM 149 CG PHE A 992 -5.901 38.830 -6.832 1.00 41.60 C ATOM 150 CD1 PHE A 992 -6.571 38.107 -7.812 1.00 44.64 C ATOM 151 CD2 PHE A 992 -5.925 38.364 -5.525 1.00 45.78 C ATOM 152 CE1 PHE A 992 -7.247 36.938 -7.494 1.00 44.11 C ATOM 153 CE2 PHE A 992 -6.601 37.192 -5.202 1.00 45.14 C ATOM 154 CZ PHE A 992 -7.258 36.483 -6.189 1.00 43.92 C ATOM 155 H PHE A 992 -4.333 42.468 -7.592 1.00 0.00 H ATOM 156 N LEU A 993 -6.741 41.980 -5.194 1.00 40.06 N ATOM 157 CA LEU A 993 -7.635 42.165 -4.039 1.00 41.46 C ATOM 158 C LEU A 993 -8.754 43.176 -4.290 1.00 39.77 C ATOM 159 O LEU A 993 -9.874 42.972 -3.827 1.00 39.53 O ATOM 160 CB LEU A 993 -6.852 42.552 -2.773 1.00 40.49 C ATOM 161 CG LEU A 993 -5.846 41.515 -2.254 1.00 43.95 C ATOM 162 CD1 LEU A 993 -5.119 42.023 -1.017 1.00 43.63 C ATOM 163 CD2 LEU A 993 -6.498 40.168 -1.977 1.00 42.66 C ATOM 164 H LEU A 993 -5.746 42.271 -5.115 1.00 0.00 H ATOM 165 N ARG A 994 -8.458 44.262 -5.002 1.00 40.59 N ATOM 166 CA ARG A 994 -9.498 45.235 -5.360 1.00 42.14 C ATOM 167 C ARG A 994 -10.552 44.590 -6.236 1.00 41.10 C ATOM 168 O ARG A 994 -11.733 44.852 -6.088 1.00 40.24 O ATOM 169 CB ARG A 994 -8.925 46.435 -6.110 1.00 44.63 C ATOM 170 CG ARG A 994 -8.236 47.430 -5.220 1.00 47.11 C ATOM 171 CD ARG A 994 -7.887 48.713 -5.961 1.00 45.84 C ATOM 172 NE ARG A 994 -6.751 49.313 -5.289 1.00 46.89 N ATOM 173 CZ ARG A 994 -5.479 49.226 -5.666 1.00 47.31 C ATOM 174 NH1 ARG A 994 -5.117 48.611 -6.784 1.00 47.10 N ATOM 175 NH2 ARG A 994 -4.554 49.799 -4.911 1.00 49.23 N ATOM 176 HE ARG A 994 -6.950 49.864 -4.430 1.00 0.00 H ATOM 177 HH12 ARG A 994 -4.112 48.562 -7.049 1.00 0.00 H ATOM 178 HH11 ARG A 994 -5.838 48.178 -7.396 1.00 0.00 H ATOM 179 HH22 ARG A 994 -3.552 49.745 -5.185 1.00 0.00 H ATOM 180 HH21 ARG A 994 -4.829 50.303 -4.044 1.00 0.00 H ATOM 181 H ARG A 994 -7.477 44.423 -5.308 1.00 0.00 H ATOM 182 N ASN A 995 -10.113 43.754 -7.164 1.00 41.25 N ATOM 183 CA ASN A 995 -11.037 43.100 -8.072 1.00 43.01 C ATOM 184 C ASN A 995 -11.943 42.114 -7.336 1.00 40.71 C ATOM 185 O ASN A 995 -13.158 42.146 -7.519 1.00 39.90 O ATOM 186 CB ASN A 995 -10.287 42.418 -9.201 1.00 45.11 C ATOM 187 CG ASN A 995 -11.210 41.644 -10.105 1.00 48.16 C ATOM 188 OD1 ASN A 995 -11.403 40.464 -9.911 1.00 43.84 O ATOM 189 ND2 ASN A 995 -11.820 42.325 -11.077 1.00 54.81 N ATOM 190 HD22 ASN A 995 -11.622 43.338 -11.205 1.00 0.00 H ATOM 191 HD21 ASN A 995 -12.493 41.843 -11.706 1.00 0.00 H ATOM 192 H ASN A 995 -9.094 43.564 -7.243 1.00 0.00 H ATOM 193 N VAL A 996 -11.365 41.269 -6.482 1.00 39.03 N ATOM 194 CA VAL A 996 -12.168 40.365 -5.646 1.00 41.16 C ATOM 195 C VAL A 996 -13.176 41.160 -4.791 1.00 40.00 C ATOM 196 O VAL A 996 -14.368 40.827 -4.743 1.00 39.62 O ATOM 197 CB VAL A 996 -11.297 39.468 -4.732 1.00 40.37 C ATOM 198 CG1 VAL A 996 -12.170 38.631 -3.802 1.00 42.78 C ATOM 199 CG2 VAL A 996 -10.395 38.558 -5.556 1.00 41.13 C ATOM 200 H VAL A 996 -10.328 41.249 -6.406 1.00 0.00 H ATOM 201 N THR A 997 -12.694 42.218 -4.141 1.00 41.39 N ATOM 202 CA THR A 997 -13.522 43.020 -3.232 1.00 40.84 C ATOM 203 C THR A 997 -14.666 43.710 -3.976 1.00 42.04 C ATOM 204 O THR A 997 -15.795 43.726 -3.486 1.00 41.41 O ATOM 205 CB THR A 997 -12.671 44.053 -2.458 1.00 42.27 C ATOM 206 OG1 THR A 997 -11.560 43.391 -1.850 1.00 41.75 O ATOM 207 CG2 THR A 997 -13.491 44.747 -1.369 1.00 44.36 C ATOM 208 HG1 THR A 997 -11.007 42.965 -2.552 1.00 0.00 H ATOM 209 H THR A 997 -11.699 42.485 -4.282 1.00 0.00 H ATOM 210 N HIS A 998 -14.383 44.248 -5.163 1.00 40.51 N ATOM 211 CA HIS A 998 -15.425 44.848 -6.008 1.00 42.69 C ATOM 212 C HIS A 998 -16.530 43.837 -6.354 1.00 42.59 C ATOM 213 O HIS A 998 -17.723 44.144 -6.283 1.00 44.28 O ATOM 214 CB HIS A 998 -14.812 45.432 -7.289 1.00 45.71 C ATOM 215 CG HIS A 998 -15.821 45.982 -8.251 1.00 52.27 C ATOM 216 ND1 HIS A 998 -16.488 47.169 -8.034 1.00 54.08 N ATOM 217 CD2 HIS A 998 -16.276 45.508 -9.436 1.00 59.19 C ATOM 218 CE1 HIS A 998 -17.314 47.400 -9.040 1.00 57.99 C ATOM 219 NE2 HIS A 998 -17.205 46.407 -9.904 1.00 60.49 N ATOM 220 H HIS A 998 -13.399 44.243 -5.500 1.00 0.00 H ATOM 221 N ARG A 999 -16.126 42.625 -6.709 1.00 42.00 N ATOM 222 CA ARG A 999 -17.088 41.587 -7.052 1.00 42.21 C ATOM 223 C ARG A 999 -17.966 41.183 -5.861 1.00 40.51 C ATOM 224 O ARG A 999 -19.136 40.866 -6.042 1.00 42.29 O ATOM 225 CB ARG A 999 -16.377 40.389 -7.672 1.00 43.37 C ATOM 226 CG ARG A 999 -15.931 40.674 -9.096 1.00 46.81 C ATOM 227 CD ARG A 999 -14.698 39.880 -9.484 1.00 45.42 C ATOM 228 NE ARG A 999 -14.995 38.463 -9.600 1.00 43.93 N ATOM 229 CZ ARG A 999 -14.080 37.512 -9.750 1.00 44.17 C ATOM 230 NH1 ARG A 999 -12.787 37.815 -9.801 1.00 44.06 N ATOM 231 NH2 ARG A 999 -14.464 36.250 -9.843 1.00 45.89 N ATOM 232 HE ARG A 999 -15.993 38.173 -9.563 1.00 0.00 H ATOM 233 HH12 ARG A 999 -12.080 37.061 -9.919 1.00 0.00 H ATOM 234 HH11 ARG A 999 -12.482 38.806 -9.723 1.00 0.00 H ATOM 235 HH22 ARG A 999 -13.755 35.498 -9.961 1.00 0.00 H ATOM 236 HH21 ARG A 999 -15.475 36.009 -9.799 1.00 0.00 H ATOM 237 H ARG A 999 -15.108 42.413 -6.743 1.00 0.00 H ATOM 238 N LEU A1000 -17.412 41.215 -4.652 1.00 40.09 N ATOM 239 CA LEU A1000 -18.197 40.992 -3.445 1.00 42.51 C ATOM 240 C LEU A1000 -19.129 42.173 -3.201 1.00 44.73 C ATOM 241 O LEU A1000 -20.313 41.982 -2.904 1.00 43.57 O ATOM 242 CB LEU A1000 -17.299 40.779 -2.224 1.00 41.06 C ATOM 243 CG LEU A1000 -16.324 39.603 -2.292 1.00 42.00 C ATOM 244 CD1 LEU A1000 -15.433 39.602 -1.065 1.00 44.02 C ATOM 245 CD2 LEU A1000 -17.072 38.284 -2.431 1.00 43.92 C ATOM 246 H LEU A1000 -16.393 41.404 -4.566 1.00 0.00 H ATOM 247 N ALA A1001 -18.597 43.385 -3.360 1.00 42.61 N ATOM 248 CA ALA A1001 -19.337 44.610 -3.053 1.00 44.82 C ATOM 249 C ALA A1001 -20.546 44.864 -3.953 1.00 46.37 C ATOM 250 O ALA A1001 -21.488 45.524 -3.524 1.00 45.84 O ATOM 251 CB ALA A1001 -18.407 45.819 -3.084 1.00 48.53 C ATOM 252 H ALA A1001 -17.622 43.463 -3.714 1.00 0.00 H ATOM 253 N ILE A1002 -20.522 44.361 -5.184 1.00 46.97 N ATOM 254 CA ILE A1002 -21.649 44.565 -6.105 1.00 50.11 C ATOM 255 C ILE A1002 -22.717 43.472 -6.010 1.00 52.27 C ATOM 256 O ILE A1002 -23.770 43.599 -6.621 1.00 52.27 O ATOM 257 CB ILE A1002 -21.209 44.726 -7.576 1.00 51.70 C ATOM 258 CG1 ILE A1002 -20.616 43.421 -8.127 1.00 51.53 C ATOM 259 CG2 ILE A1002 -20.253 45.904 -7.718 1.00 55.05 C ATOM 260 CD1 ILE A1002 -20.095 43.534 -9.537 1.00 56.80 C ATOM 261 H ILE A1002 -19.694 43.816 -5.499 1.00 0.00 H ATOM 262 N ASP A1003 -22.447 42.408 -5.253 1.00 48.54 N ATOM 263 CA ASP A1003 -23.414 41.337 -5.040 1.00 49.24 C ATOM 264 C ASP A1003 -24.478 41.827 -4.050 1.00 50.69 C ATOM 265 O ASP A1003 -24.158 42.194 -2.923 1.00 46.04 O ATOM 266 CB ASP A1003 -22.695 40.094 -4.507 1.00 49.60 C ATOM 267 CG ASP A1003 -23.565 38.847 -4.516 1.00 51.56 C ATOM 268 OD1 ASP A1003 -24.711 38.890 -4.025 1.00 51.52 O ATOM 269 OD2 ASP A1003 -23.077 37.802 -4.985 1.00 50.38 O ATOM 270 H ASP A1003 -21.514 42.339 -4.798 1.00 0.00 H ATOM 271 N LYS A1004 -25.738 41.835 -4.481 1.00 50.16 N ATOM 272 CA LYS A1004 -26.849 42.344 -3.663 1.00 54.64 C ATOM 273 C LYS A1004 -26.963 41.700 -2.278 1.00 48.92 C ATOM 274 O LYS A1004 -27.380 42.355 -1.324 1.00 48.85 O ATOM 275 CB LYS A1004 -28.187 42.166 -4.393 1.00 59.34 C ATOM 276 CG LYS A1004 -28.469 43.192 -5.473 1.00 70.54 C ATOM 277 CD LYS A1004 -29.865 42.979 -6.049 1.00 77.44 C ATOM 278 CE LYS A1004 -30.002 43.539 -7.456 1.00 82.37 C ATOM 279 NZ LYS A1004 -31.217 43.013 -8.141 1.00 83.56 N ATOM 280 HZ1 LYS A1004 -31.157 41.977 -8.204 1.00 0.00 H ATOM 281 HZ2 LYS A1004 -32.063 43.280 -7.597 1.00 0.00 H ATOM 282 HZ3 LYS A1004 -31.277 43.417 -9.097 1.00 0.00 H ATOM 283 H LYS A1004 -25.944 41.467 -5.432 1.00 0.00 H ATOM 284 N ARG A1005 -26.593 40.429 -2.166 1.00 49.84 N ATOM 285 CA ARG A1005 -26.663 39.723 -0.881 1.00 49.40 C ATOM 286 C ARG A1005 -25.785 40.368 0.183 1.00 48.94 C ATOM 287 O ARG A1005 -26.068 40.249 1.375 1.00 48.78 O ATOM 288 CB ARG A1005 -26.217 38.273 -1.027 1.00 50.65 C ATOM 289 CG ARG A1005 -27.137 37.395 -1.851 1.00 52.27 C ATOM 290 CD ARG A1005 -26.519 36.019 -2.022 1.00 52.85 C ATOM 291 NE ARG A1005 -25.303 36.067 -2.827 1.00 53.11 N ATOM 292 CZ ARG A1005 -24.457 35.052 -2.990 1.00 55.80 C ATOM 293 NH1 ARG A1005 -24.679 33.879 -2.404 1.00 56.57 N ATOM 294 NH2 ARG A1005 -23.376 35.209 -3.750 1.00 54.92 N ATOM 295 HE ARG A1005 -25.080 36.961 -3.310 1.00 0.00 H ATOM 296 HH12 ARG A1005 -24.010 33.095 -2.540 1.00 0.00 H ATOM 297 HH11 ARG A1005 -25.522 33.746 -1.810 1.00 0.00 H ATOM 298 HH22 ARG A1005 -22.713 34.419 -3.880 1.00 0.00 H ATOM 299 HH21 ARG A1005 -23.195 36.122 -4.214 1.00 0.00 H ATOM 300 H ARG A1005 -26.247 39.924 -3.006 1.00 0.00 H ATOM 301 N PHE A1006 -24.720 41.037 -0.252 1.00 47.30 N ATOM 302 CA PHE A1006 -23.687 41.526 0.652 1.00 46.97 C ATOM 303 C PHE A1006 -23.740 43.031 0.899 1.00 48.57 C ATOM 304 O PHE A1006 -22.807 43.597 1.486 1.00 47.72 O ATOM 305 CB PHE A1006 -22.308 41.117 0.117 1.00 44.52 C ATOM 306 CG PHE A1006 -22.191 39.649 -0.217 1.00 45.83 C ATOM 307 CD1 PHE A1006 -22.850 38.687 0.539 1.00 46.23 C ATOM 308 CD2 PHE A1006 -21.405 39.226 -1.283 1.00 44.16 C ATOM 309 CE1 PHE A1006 -22.739 37.344 0.228 1.00 48.07 C ATOM 310 CE2 PHE A1006 -21.292 37.885 -1.596 1.00 45.78 C ATOM 311 CZ PHE A1006 -21.962 36.940 -0.839 1.00 48.13 C ATOM 312 H PHE A1006 -24.622 41.217 -1.272 1.00 0.00 H ATOM 313 N ARG A1007 -24.840 43.674 0.505 1.00 47.76 N ATOM 314 CA ARG A1007 -24.992 45.120 0.672 1.00 50.22 C ATOM 315 C ARG A1007 -24.772 45.572 2.111 1.00 49.34 C ATOM 316 O ARG A1007 -24.133 46.603 2.350 1.00 53.62 O ATOM 317 CB ARG A1007 -26.371 45.583 0.192 1.00 53.28 C ATOM 318 CG ARG A1007 -26.565 47.092 0.231 1.00 60.23 C ATOM 319 CD ARG A1007 -27.994 47.472 -0.132 1.00 69.72 C ATOM 320 NE ARG A1007 -28.312 48.846 0.263 1.00 77.26 N ATOM 321 CZ ARG A1007 -28.125 49.931 -0.490 1.00 84.96 C ATOM 322 NH1 ARG A1007 -27.609 49.841 -1.715 1.00 84.95 N ATOM 323 NH2 ARG A1007 -28.459 51.126 -0.010 1.00 88.68 N ATOM 324 HE ARG A1007 -28.718 48.988 1.210 1.00 0.00 H ATOM 325 HH12 ARG A1007 -27.471 50.699 -2.286 1.00 0.00 H ATOM 326 HH11 ARG A1007 -27.344 48.912 -2.101 1.00 0.00 H ATOM 327 HH22 ARG A1007 -28.317 51.978 -0.590 1.00 0.00 H ATOM 328 HH21 ARG A1007 -28.862 51.209 0.945 1.00 0.00 H ATOM 329 H ARG A1007 -25.612 43.132 0.066 1.00 0.00 H ATOM 330 N VAL A1008 -25.290 44.794 3.056 1.00 48.25 N ATOM 331 CA VAL A1008 -25.149 45.079 4.487 1.00 51.97 C ATOM 332 C VAL A1008 -23.679 45.158 4.937 1.00 51.06 C ATOM 333 O VAL A1008 -23.367 45.833 5.915 1.00 51.34 O ATOM 334 CB VAL A1008 -25.925 44.043 5.344 1.00 56.14 C ATOM 335 CG1 VAL A1008 -25.309 42.651 5.247 1.00 56.41 C ATOM 336 CG2 VAL A1008 -26.021 44.486 6.796 1.00 62.50 C ATOM 337 H VAL A1008 -25.818 43.946 2.768 1.00 0.00 H ATOM 338 N PHE A1009 -22.786 44.492 4.209 1.00 48.03 N ATOM 339 CA PHE A1009 -21.359 44.486 4.540 1.00 47.72 C ATOM 340 C PHE A1009 -20.523 45.501 3.749 1.00 48.49 C ATOM 341 O PHE A1009 -19.304 45.519 3.889 1.00 45.64 O ATOM 342 CB PHE A1009 -20.782 43.083 4.316 1.00 46.90 C ATOM 343 CG PHE A1009 -21.583 41.981 4.964 1.00 45.08 C ATOM 344 CD1 PHE A1009 -21.755 41.947 6.341 1.00 47.78 C ATOM 345 CD2 PHE A1009 -22.157 40.978 4.196 1.00 48.48 C ATOM 346 CE1 PHE A1009 -22.494 40.938 6.941 1.00 50.79 C ATOM 347 CE2 PHE A1009 -22.899 39.964 4.787 1.00 50.00 C ATOM 348 CZ PHE A1009 -23.067 39.942 6.161 1.00 49.59 C ATOM 349 H PHE A1009 -23.112 43.958 3.378 1.00 0.00 H ATOM 350 N THR A1010 -21.150 46.341 2.925 1.00 47.52 N ATOM 351 CA THR A1010 -20.387 47.255 2.062 1.00 48.22 C ATOM 352 C THR A1010 -19.910 48.527 2.766 1.00 52.24 C ATOM 353 O THR A1010 -18.970 49.168 2.299 1.00 53.36 O ATOM 354 CB THR A1010 -21.170 47.672 0.801 1.00 50.87 C ATOM 355 OG1 THR A1010 -22.407 48.293 1.176 1.00 52.74 O ATOM 356 CG2 THR A1010 -21.435 46.468 -0.087 1.00 49.75 C ATOM 357 HG1 THR A1010 -22.950 47.653 1.701 1.00 0.00 H ATOM 358 H THR A1010 -22.189 46.350 2.892 1.00 0.00 H ATOM 359 N LYS A1011 -20.552 48.884 3.875 1.00 51.93 N ATOM 360 CA LYS A1011 -20.234 50.115 4.599 1.00 55.63 C ATOM 361 C LYS A1011 -20.238 49.870 6.105 1.00 53.79 C ATOM 362 O LYS A1011 -20.875 48.927 6.574 1.00 51.23 O ATOM 363 CB LYS A1011 -21.276 51.191 4.280 1.00 60.76 C ATOM 364 CG LYS A1011 -21.284 51.666 2.837 1.00 67.43 C ATOM 365 CD LYS A1011 -22.460 52.601 2.594 1.00 75.77 C ATOM 366 CE LYS A1011 -22.326 53.357 1.281 1.00 84.22 C ATOM 367 NZ LYS A1011 -23.606 54.016 0.892 1.00 87.72 N ATOM 368 HZ1 LYS A1011 -24.346 53.294 0.781 1.00 0.00 H ATOM 369 HZ2 LYS A1011 -23.886 54.691 1.632 1.00 0.00 H ATOM 370 HZ3 LYS A1011 -23.475 54.521 -0.008 1.00 0.00 H ATOM 371 H LYS A1011 -21.306 48.267 4.240 1.00 0.00 H ATOM 372 N PRO A1012 -19.563 50.746 6.876 1.00 57.70 N ATOM 373 CA PRO A1012 -19.628 50.617 8.329 1.00 61.98 C ATOM 374 C PRO A1012 -21.066 50.712 8.826 1.00 63.69 C ATOM 375 O PRO A1012 -21.912 51.296 8.152 1.00 62.00 O ATOM 376 CB PRO A1012 -18.813 51.816 8.840 1.00 63.15 C ATOM 377 CG PRO A1012 -18.007 52.282 7.681 1.00 63.41 C ATOM 378 CD PRO A1012 -18.805 51.940 6.461 1.00 61.43 C ATOM 379 N VAL A1013 -21.331 50.135 9.992 1.00 70.36 N ATOM 380 CA VAL A1013 -22.662 50.188 10.592 1.00 73.17 C ATOM 381 C VAL A1013 -22.950 51.609 11.072 1.00 75.90 C ATOM 382 O VAL A1013 -22.098 52.246 11.692 1.00 78.15 O ATOM 383 CB VAL A1013 -22.788 49.205 11.775 1.00 74.45 C ATOM 384 CG1 VAL A1013 -24.130 49.373 12.475 1.00 78.12 C ATOM 385 CG2 VAL A1013 -22.614 47.769 11.294 1.00 71.50 C ATOM 386 H VAL A1013 -20.570 49.632 10.492 1.00 0.00 H ATOM 387 N ASP A1014 -24.153 52.096 10.780 1.00 83.87 N ATOM 388 CA ASP A1014 -24.575 53.432 11.197 1.00 91.65 C ATOM 389 C ASP A1014 -24.855 53.436 12.705 1.00 91.88 C ATOM 390 O ASP A1014 -25.692 52.661 13.173 1.00 92.74 O ATOM 391 CB ASP A1014 -25.831 53.845 10.419 1.00 98.98 C ATOM 392 CG ASP A1014 -26.220 55.301 10.642 1.00105.93 C ATOM 393 OD1 ASP A1014 -25.359 56.114 11.043 1.00108.73 O ATOM 394 OD2 ASP A1014 -27.400 55.634 10.402 1.00106.71 O ATOM 395 H ASP A1014 -24.816 51.506 10.237 1.00 0.00 H ATOM 396 N PRO A1015 -24.151 54.297 13.473 1.00 92.58 N ATOM 397 CA PRO A1015 -24.385 54.372 14.923 1.00 98.84 C ATOM 398 C PRO A1015 -25.820 54.740 15.320 1.00104.19 C ATOM 399 O PRO A1015 -26.274 54.345 16.395 1.00108.18 O ATOM 400 CB PRO A1015 -23.420 55.472 15.383 1.00100.32 C ATOM 401 CG PRO A1015 -22.357 55.512 14.347 1.00 97.84 C ATOM 402 CD PRO A1015 -23.041 55.176 13.056 1.00 96.12 C ATOM 403 N ASP A1016 -26.515 55.494 14.470 1.00106.08 N ATOM 404 CA ASP A1016 -27.904 55.876 14.733 1.00112.11 C ATOM 405 C ASP A1016 -28.823 54.657 14.799 1.00108.46 C ATOM 406 O ASP A1016 -29.651 54.548 15.704 1.00109.31 O ATOM 407 CB ASP A1016 -28.414 56.848 13.660 1.00116.01 C ATOM 408 CG ASP A1016 -27.706 58.198 13.697 1.00118.26 C ATOM 409 OD1 ASP A1016 -26.932 58.458 14.645 1.00115.62 O ATOM 410 OD2 ASP A1016 -27.930 59.003 12.769 1.00120.65 O ATOM 411 H ASP A1016 -26.058 55.821 13.595 1.00 0.00 H ATOM 412 N GLU A1017 -28.670 53.747 13.841 1.00105.09 N ATOM 413 CA GLU A1017 -29.480 52.531 13.799 1.00104.23 C ATOM 414 C GLU A1017 -29.027 51.530 14.861 1.00104.95 C ATOM 415 O GLU A1017 -29.855 50.973 15.584 1.00107.71 O ATOM 416 CB GLU A1017 -29.418 51.887 12.411 1.00101.41 C ATOM 417 CG GLU A1017 -30.404 50.743 12.213 1.00100.30 C ATOM 418 CD GLU A1017 -30.420 50.202 10.794 1.00 99.82 C ATOM 419 OE1 GLU A1017 -31.275 49.340 10.501 1.00103.80 O ATOM 420 OE2 GLU A1017 -29.587 50.632 9.969 1.00 97.92 O ATOM 421 H GLU A1017 -27.955 53.905 13.102 1.00 0.00 H ATOM 422 N VAL A1018 -27.715 51.313 14.949 1.00 99.95 N ATOM 423 CA VAL A1018 -27.150 50.314 15.856 1.00 94.33 C ATOM 424 C VAL A1018 -26.111 50.960 16.785 1.00 92.71 C ATOM 425 O VAL A1018 -24.905 50.856 16.549 1.00 88.50 O ATOM 426 CB VAL A1018 -26.513 49.142 15.073 1.00 93.53 C ATOM 427 CG1 VAL A1018 -26.523 47.887 15.924 1.00 91.73 C ATOM 428 CG2 VAL A1018 -27.256 48.881 13.770 1.00 94.15 C ATOM 429 H VAL A1018 -27.072 51.872 14.353 1.00 0.00 H ATOM 430 N PRO A1019 -26.580 51.633 17.855 1.00 90.16 N ATOM 431 CA PRO A1019 -25.666 52.335 18.759 1.00 83.47 C ATOM 432 C PRO A1019 -24.851 51.410 19.663 1.00 78.21 C ATOM 433 O PRO A1019 -23.769 51.792 20.101 1.00 81.58 O ATOM 434 CB PRO A1019 -26.604 53.218 19.590 1.00 89.71 C ATOM 435 CG PRO A1019 -27.900 52.487 19.595 1.00 88.49 C ATOM 436 CD PRO A1019 -27.987 51.763 18.280 1.00 89.92 C ATOM 437 N ASP A1020 -25.357 50.209 19.936 1.00 78.47 N ATOM 438 CA ASP A1020 -24.608 49.233 20.736 1.00 80.06 C ATOM 439 C ASP A1020 -23.577 48.429 19.925 1.00 73.75 C ATOM 440 O ASP A1020 -22.842 47.630 20.502 1.00 74.91 O ATOM 441 CB ASP A1020 -25.557 48.268 21.458 1.00 82.82 C ATOM 442 CG ASP A1020 -26.316 47.369 20.505 1.00 89.38 C ATOM 443 OD1 ASP A1020 -26.865 47.891 19.511 1.00 95.53 O ATOM 444 OD2 ASP A1020 -26.366 46.144 20.753 1.00 89.97 O ATOM 445 H ASP A1020 -26.300 49.958 19.576 1.00 0.00 H ATOM 446 N TYR A1021 -23.519 48.632 18.607 1.00 72.59 N ATOM 447 CA TYR A1021 -22.593 47.869 17.756 1.00 66.74 C ATOM 448 C TYR A1021 -21.131 48.172 18.090 1.00 68.76 C ATOM 449 O TYR A1021 -20.321 47.256 18.253 1.00 66.31 O ATOM 450 CB TYR A1021 -22.856 48.138 16.269 1.00 65.58 C ATOM 451 CG TYR A1021 -22.161 47.151 15.357 1.00 59.73 C ATOM 452 CD1 TYR A1021 -22.775 45.956 15.000 1.00 58.89 C ATOM 453 CD2 TYR A1021 -20.883 47.405 14.867 1.00 58.84 C ATOM 454 CE1 TYR A1021 -22.138 45.041 14.174 1.00 58.15 C ATOM 455 CE2 TYR A1021 -20.240 46.499 14.038 1.00 57.35 C ATOM 456 CZ TYR A1021 -20.869 45.322 13.697 1.00 54.23 C ATOM 457 OH TYR A1021 -20.229 44.421 12.887 1.00 52.17 O ATOM 458 HH TYR A1021 -20.815 43.636 12.741 1.00 0.00 H ATOM 459 H TYR A1021 -24.141 49.344 18.173 1.00 0.00 H ATOM 460 N VAL A1022 -20.805 49.457 18.195 1.00 73.76 N ATOM 461 CA VAL A1022 -19.446 49.895 18.536 1.00 77.49 C ATOM 462 C VAL A1022 -18.990 49.330 19.889 1.00 76.06 C ATOM 463 O VAL A1022 -17.805 49.069 20.082 1.00 76.14 O ATOM 464 CB VAL A1022 -19.331 51.441 18.541 1.00 85.82 C ATOM 465 CG1 VAL A1022 -17.984 51.898 19.092 1.00 88.49 C ATOM 466 CG2 VAL A1022 -19.530 51.993 17.135 1.00 88.63 C ATOM 467 H VAL A1022 -21.538 50.176 18.030 1.00 0.00 H ATOM 468 N THR A1023 -19.926 49.134 20.816 1.00 75.95 N ATOM 469 CA THR A1023 -19.593 48.576 22.129 1.00 77.25 C ATOM 470 C THR A1023 -19.454 47.048 22.109 1.00 74.03 C ATOM 471 O THR A1023 -18.562 46.504 22.764 1.00 74.47 O ATOM 472 CB THR A1023 -20.609 49.003 23.209 1.00 77.71 C ATOM 473 OG1 THR A1023 -21.920 48.542 22.864 1.00 81.75 O ATOM 474 CG2 THR A1023 -20.628 50.517 23.348 1.00 79.21 C ATOM 475 HG1 THR A1023 -22.187 48.932 21.994 1.00 0.00 H ATOM 476 H THR A1023 -20.913 49.382 20.603 1.00 0.00 H ATOM 477 N VAL A1024 -20.315 46.361 21.356 1.00 68.03 N ATOM 478 CA VAL A1024 -20.270 44.893 21.286 1.00 65.29 C ATOM 479 C VAL A1024 -19.147 44.377 20.380 1.00 61.74 C ATOM 480 O VAL A1024 -18.427 43.451 20.749 1.00 63.65 O ATOM 481 CB VAL A1024 -21.620 44.302 20.821 1.00 66.07 C ATOM 482 CG1 VAL A1024 -21.506 42.802 20.568 1.00 65.80 C ATOM 483 CG2 VAL A1024 -22.700 44.579 21.855 1.00 69.20 C ATOM 484 H VAL A1024 -21.033 46.875 20.807 1.00 0.00 H ATOM 485 N ILE A1025 -19.016 44.957 19.190 1.00 57.82 N ATOM 486 CA ILE A1025 -18.024 44.499 18.216 1.00 53.47 C ATOM 487 C ILE A1025 -16.761 45.351 18.314 1.00 55.41 C ATOM 488 O ILE A1025 -16.779 46.537 17.995 1.00 56.12 O ATOM 489 CB ILE A1025 -18.606 44.525 16.786 1.00 51.92 C ATOM 490 CG1 ILE A1025 -19.806 43.569 16.687 1.00 52.48 C ATOM 491 CG2 ILE A1025 -17.553 44.156 15.759 1.00 52.28 C ATOM 492 CD1 ILE A1025 -19.487 42.114 16.976 1.00 53.36 C ATOM 493 H ILE A1025 -19.634 45.757 18.945 1.00 0.00 H ATOM 494 N LYS A1026 -15.669 44.728 18.750 1.00 56.83 N ATOM 495 CA LYS A1026 -14.431 45.445 19.082 1.00 57.61 C ATOM 496 C LYS A1026 -13.603 45.865 17.874 1.00 56.78 C ATOM 497 O LYS A1026 -12.903 46.876 17.941 1.00 56.58 O ATOM 498 CB LYS A1026 -13.582 44.619 20.056 1.00 60.60 C ATOM 499 CG LYS A1026 -14.284 44.311 21.375 1.00 60.96 C ATOM 500 CD LYS A1026 -14.925 45.554 21.980 1.00 63.71 C ATOM 501 CE LYS A1026 -15.414 45.334 23.400 1.00 67.16 C ATOM 502 NZ LYS A1026 -16.073 46.569 23.912 1.00 69.99 N ATOM 503 HZ1 LYS A1026 -15.391 47.354 23.903 1.00 0.00 H ATOM 504 HZ2 LYS A1026 -16.883 46.806 23.304 1.00 0.00 H ATOM 505 HZ3 LYS A1026 -16.404 46.406 24.885 1.00 0.00 H ATOM 506 H LYS A1026 -15.693 43.694 18.860 1.00 0.00 H ATOM 507 N GLN A1027 -13.662 45.107 16.780 1.00 55.59 N ATOM 508 CA GLN A1027 -13.015 45.505 15.534 1.00 54.55 C ATOM 509 C GLN A1027 -13.993 45.404 14.360 1.00 52.61 C ATOM 510 O GLN A1027 -14.044 44.366 13.689 1.00 49.71 O ATOM 511 CB GLN A1027 -11.776 44.645 15.290 1.00 56.05 C ATOM 512 CG GLN A1027 -10.860 45.207 14.223 1.00 55.47 C ATOM 513 CD GLN A1027 -9.528 44.496 14.162 1.00 56.44 C ATOM 514 OE1 GLN A1027 -8.627 44.922 13.449 1.00 54.93 O ATOM 515 NE2 GLN A1027 -9.395 43.406 14.915 1.00 58.18 N ATOM 516 HE22 GLN A1027 -10.188 43.082 15.505 1.00 0.00 H ATOM 517 HE21 GLN A1027 -8.498 42.879 14.913 1.00 0.00 H ATOM 518 H GLN A1027 -14.183 44.208 16.815 1.00 0.00 H ATOM 519 N PRO A1028 -14.784 46.466 14.123 1.00 52.98 N ATOM 520 CA PRO A1028 -15.714 46.488 13.000 1.00 53.72 C ATOM 521 C PRO A1028 -14.951 46.370 11.699 1.00 50.38 C ATOM 522 O PRO A1028 -13.835 46.867 11.603 1.00 46.57 O ATOM 523 CB PRO A1028 -16.364 47.874 13.096 1.00 56.00 C ATOM 524 CG PRO A1028 -16.187 48.294 14.506 1.00 57.81 C ATOM 525 CD PRO A1028 -14.907 47.675 14.962 1.00 55.33 C ATOM 526 N MET A1029 -15.539 45.706 10.714 1.00 45.13 N ATOM 527 CA MET A1029 -14.907 45.589 9.407 1.00 48.76 C ATOM 528 C MET A1029 -16.004 45.520 8.364 1.00 47.61 C ATOM 529 O MET A1029 -17.086 45.005 8.631 1.00 45.00 O ATOM 530 CB MET A1029 -14.014 44.345 9.354 1.00 48.61 C ATOM 531 CG MET A1029 -13.127 44.223 8.117 1.00 47.47 C ATOM 532 SD MET A1029 -12.126 45.678 7.743 1.00 49.55 S ATOM 533 CE MET A1029 -11.169 45.855 9.249 1.00 51.40 C ATOM 534 H MET A1029 -16.465 45.262 10.877 1.00 0.00 H ATOM 535 N ASP A1030 -15.720 46.077 7.197 1.00 45.02 N ATOM 536 CA ASP A1030 -16.661 46.109 6.090 1.00 45.89 C ATOM 537 C ASP A1030 -15.862 46.258 4.808 1.00 46.02 C ATOM 538 O ASP A1030 -14.660 46.536 4.855 1.00 45.27 O ATOM 539 CB ASP A1030 -17.617 47.293 6.250 1.00 49.75 C ATOM 540 CG ASP A1030 -16.903 48.621 6.130 1.00 52.83 C ATOM 541 OD1 ASP A1030 -16.337 49.101 7.135 1.00 57.08 O ATOM 542 OD2 ASP A1030 -16.887 49.176 5.020 1.00 51.79 O ATOM 543 H ASP A1030 -14.783 46.510 7.067 1.00 0.00 H ATOM 544 N LEU A1031 -16.525 46.094 3.667 1.00 45.10 N ATOM 545 CA LEU A1031 -15.819 46.058 2.384 1.00 46.68 C ATOM 546 C LEU A1031 -15.238 47.410 1.952 1.00 47.51 C ATOM 547 O LEU A1031 -14.233 47.441 1.245 1.00 46.67 O ATOM 548 CB LEU A1031 -16.711 45.474 1.283 1.00 44.03 C ATOM 549 CG LEU A1031 -17.202 44.041 1.541 1.00 46.74 C ATOM 550 CD1 LEU A1031 -18.265 43.638 0.525 1.00 48.38 C ATOM 551 CD2 LEU A1031 -16.050 43.047 1.545 1.00 45.90 C ATOM 552 H LEU A1031 -17.560 45.990 3.686 1.00 0.00 H ATOM 553 N SER A1032 -15.840 48.523 2.368 1.00 50.06 N ATOM 554 CA SER A1032 -15.247 49.832 2.056 1.00 49.37 C ATOM 555 C SER A1032 -13.949 50.017 2.832 1.00 47.90 C ATOM 556 O SER A1032 -12.967 50.536 2.301 1.00 48.12 O ATOM 557 CB SER A1032 -16.221 50.980 2.350 1.00 52.26 C ATOM 558 OG SER A1032 -16.521 51.072 3.730 1.00 52.96 O ATOM 559 HG SER A1032 -16.935 50.226 4.034 1.00 0.00 H ATOM 560 H SER A1032 -16.725 48.467 2.911 1.00 0.00 H ATOM 561 N SER A1033 -13.937 49.558 4.079 1.00 46.52 N ATOM 562 CA SER A1033 -12.731 49.621 4.899 1.00 49.98 C ATOM 563 C SER A1033 -11.657 48.692 4.344 1.00 47.23 C ATOM 564 O SER A1033 -10.478 49.028 4.374 1.00 46.57 O ATOM 565 CB SER A1033 -13.048 49.289 6.357 1.00 51.46 C ATOM 566 OG SER A1033 -13.945 50.250 6.890 1.00 55.05 O ATOM 567 HG SER A1033 -14.784 50.244 6.364 1.00 0.00 H ATOM 568 H SER A1033 -14.804 49.146 4.479 1.00 0.00 H ATOM 569 N VAL A1034 -12.069 47.536 3.822 1.00 45.25 N ATOM 570 CA VAL A1034 -11.135 46.629 3.157 1.00 44.76 C ATOM 571 C VAL A1034 -10.466 47.336 1.978 1.00 42.49 C ATOM 572 O VAL A1034 -9.246 47.275 1.839 1.00 44.24 O ATOM 573 CB VAL A1034 -11.813 45.310 2.711 1.00 44.36 C ATOM 574 CG1 VAL A1034 -10.909 44.502 1.788 1.00 44.72 C ATOM 575 CG2 VAL A1034 -12.189 44.467 3.922 1.00 44.93 C ATOM 576 H VAL A1034 -13.073 47.275 3.889 1.00 0.00 H ATOM 577 N ILE A1035 -11.250 48.012 1.138 1.00 43.44 N ATOM 578 CA ILE A1035 -10.680 48.767 0.007 1.00 43.86 C ATOM 579 C ILE A1035 -9.687 49.830 0.503 1.00 42.56 C ATOM 580 O ILE A1035 -8.598 49.981 -0.059 1.00 44.08 O ATOM 581 CB ILE A1035 -11.778 49.436 -0.861 1.00 46.48 C ATOM 582 CG1 ILE A1035 -12.594 48.384 -1.626 1.00 49.66 C ATOM 583 CG2 ILE A1035 -11.174 50.441 -1.841 1.00 47.88 C ATOM 584 CD1 ILE A1035 -11.819 47.609 -2.674 1.00 51.10 C ATOM 585 H ILE A1035 -12.280 48.007 1.283 1.00 0.00 H ATOM 586 N SER A1036 -10.051 50.558 1.554 1.00 45.60 N ATOM 587 CA SER A1036 -9.147 51.566 2.120 1.00 46.91 C ATOM 588 C SER A1036 -7.832 50.927 2.568 1.00 44.86 C ATOM 589 O SER A1036 -6.754 51.464 2.313 1.00 45.44 O ATOM 590 CB SER A1036 -9.810 52.306 3.289 1.00 49.43 C ATOM 591 OG SER A1036 -10.902 53.078 2.828 1.00 54.65 O ATOM 592 HG SER A1036 -11.318 53.549 3.593 1.00 0.00 H ATOM 593 H SER A1036 -10.988 50.411 1.980 1.00 0.00 H ATOM 594 N LYS A1037 -7.922 49.766 3.213 1.00 44.23 N ATOM 595 CA LYS A1037 -6.727 49.056 3.676 1.00 43.11 C ATOM 596 C LYS A1037 -5.853 48.546 2.530 1.00 42.91 C ATOM 597 O LYS A1037 -4.623 48.609 2.612 1.00 43.25 O ATOM 598 CB LYS A1037 -7.108 47.924 4.629 1.00 43.79 C ATOM 599 CG LYS A1037 -7.570 48.438 5.988 1.00 44.68 C ATOM 600 CD LYS A1037 -7.906 47.312 6.952 1.00 47.03 C ATOM 601 CE LYS A1037 -6.655 46.612 7.453 1.00 48.54 C ATOM 602 NZ LYS A1037 -6.944 45.707 8.594 1.00 50.17 N ATOM 603 HZ1 LYS A1037 -7.345 46.258 9.379 1.00 0.00 H ATOM 604 HZ2 LYS A1037 -7.626 44.981 8.295 1.00 0.00 H ATOM 605 HZ3 LYS A1037 -6.063 45.250 8.904 1.00 0.00 H ATOM 606 H LYS A1037 -8.860 49.354 3.392 1.00 0.00 H ATOM 607 N ILE A1038 -6.476 48.080 1.450 1.00 43.98 N ATOM 608 CA ILE A1038 -5.713 47.672 0.271 1.00 43.59 C ATOM 609 C ILE A1038 -4.888 48.860 -0.223 1.00 43.50 C ATOM 610 O ILE A1038 -3.680 48.743 -0.458 1.00 44.49 O ATOM 611 CB ILE A1038 -6.618 47.184 -0.880 1.00 42.79 C ATOM 612 CG1 ILE A1038 -7.319 45.875 -0.508 1.00 42.33 C ATOM 613 CG2 ILE A1038 -5.798 46.981 -2.148 1.00 43.54 C ATOM 614 CD1 ILE A1038 -8.481 45.531 -1.412 1.00 43.91 C ATOM 615 H ILE A1038 -7.513 48.005 1.445 1.00 0.00 H ATOM 616 N ASP A1039 -5.554 49.999 -0.360 1.00 44.00 N ATOM 617 CA ASP A1039 -4.932 51.207 -0.886 1.00 47.22 C ATOM 618 C ASP A1039 -3.872 51.778 0.053 1.00 50.06 C ATOM 619 O ASP A1039 -2.935 52.436 -0.402 1.00 49.31 O ATOM 620 CB ASP A1039 -5.996 52.262 -1.190 1.00 47.55 C ATOM 621 CG ASP A1039 -6.903 51.870 -2.346 1.00 51.64 C ATOM 622 OD1 ASP A1039 -6.574 50.928 -3.103 1.00 52.80 O ATOM 623 OD2 ASP A1039 -7.955 52.518 -2.502 1.00 51.02 O ATOM 624 H ASP A1039 -6.556 50.031 -0.082 1.00 0.00 H ATOM 625 N LEU A1040 -4.019 51.516 1.352 1.00 47.75 N ATOM 626 CA LEU A1040 -3.014 51.889 2.354 1.00 47.91 C ATOM 627 C LEU A1040 -1.864 50.878 2.444 1.00 49.05 C ATOM 628 O LEU A1040 -0.986 51.024 3.284 1.00 49.60 O ATOM 629 CB LEU A1040 -3.676 52.062 3.731 1.00 47.45 C ATOM 630 CG LEU A1040 -4.592 53.280 3.895 1.00 48.69 C ATOM 631 CD1 LEU A1040 -5.456 53.167 5.141 1.00 50.42 C ATOM 632 CD2 LEU A1040 -3.775 54.564 3.927 1.00 52.95 C ATOM 633 H LEU A1040 -4.881 51.027 1.668 1.00 0.00 H ATOM 634 N HIS A1041 -1.858 49.864 1.576 1.00 45.81 N ATOM 635 CA HIS A1041 -0.810 48.837 1.568 1.00 46.64 C ATOM 636 C HIS A1041 -0.789 48.032 2.869 1.00 49.15 C ATOM 637 O HIS A1041 0.269 47.595 3.317 1.00 51.39 O ATOM 638 CB HIS A1041 0.581 49.449 1.316 1.00 49.34 C ATOM 639 CG HIS A1041 0.712 50.163 0.007 1.00 50.38 C ATOM 640 ND1 HIS A1041 1.935 50.412 -0.576 1.00 53.64 N ATOM 641 CD2 HIS A1041 -0.217 50.658 -0.846 1.00 50.12 C ATOM 642 CE1 HIS A1041 1.756 51.045 -1.722 1.00 51.25 C ATOM 643 NE2 HIS A1041 0.459 51.206 -1.909 1.00 53.20 N ATOM 644 H HIS A1041 -2.626 49.799 0.878 1.00 0.00 H ATOM 645 N LYS A1042 -1.955 47.845 3.475 1.00 48.79 N ATOM 646 CA LYS A1042 -2.056 47.103 4.729 1.00 50.48 C ATOM 647 C LYS A1042 -2.021 45.593 4.531 1.00 50.41 C ATOM 648 O LYS A1042 -1.760 44.866 5.485 1.00 49.58 O ATOM 649 CB LYS A1042 -3.333 47.473 5.472 1.00 50.46 C ATOM 650 CG LYS A1042 -3.424 48.935 5.880 1.00 56.87 C ATOM 651 CD LYS A1042 -2.389 49.296 6.927 1.00 62.61 C ATOM 652 CE LYS A1042 -2.716 50.631 7.583 1.00 70.53 C ATOM 653 NZ LYS A1042 -1.757 50.950 8.675 1.00 76.71 N ATOM 654 HZ1 LYS A1042 -1.800 50.206 9.401 1.00 0.00 H ATOM 655 HZ2 LYS A1042 -0.794 51.001 8.285 1.00 0.00 H ATOM 656 HZ3 LYS A1042 -2.009 51.865 9.100 1.00 0.00 H ATOM 657 H LYS A1042 -2.818 48.236 3.046 1.00 0.00 H ATOM 658 N TYR A1043 -2.314 45.122 3.316 1.00 45.89 N ATOM 659 CA TYR A1043 -2.277 43.695 3.014 1.00 45.18 C ATOM 660 C TYR A1043 -1.057 43.380 2.160 1.00 50.56 C ATOM 661 O TYR A1043 -0.942 43.868 1.035 1.00 51.48 O ATOM 662 CB TYR A1043 -3.541 43.252 2.276 1.00 43.31 C ATOM 663 CG TYR A1043 -4.837 43.598 2.974 1.00 42.63 C ATOM 664 CD1 TYR A1043 -5.133 43.100 4.244 1.00 44.44 C ATOM 665 CD2 TYR A1043 -5.777 44.413 2.359 1.00 43.32 C ATOM 666 CE1 TYR A1043 -6.325 43.425 4.882 1.00 43.64 C ATOM 667 CE2 TYR A1043 -6.972 44.737 2.981 1.00 44.69 C ATOM 668 CZ TYR A1043 -7.249 44.240 4.236 1.00 43.91 C ATOM 669 OH TYR A1043 -8.438 44.582 4.842 1.00 45.33 O ATOM 670 HH TYR A1043 -8.490 44.150 5.731 1.00 0.00 H ATOM 671 H TYR A1043 -2.576 45.791 2.564 1.00 0.00 H ATOM 672 N LEU A1044 -0.147 42.576 2.701 1.00 48.70 N ATOM 673 CA LEU A1044 1.015 42.107 1.950 1.00 49.20 C ATOM 674 C LEU A1044 0.865 40.648 1.511 1.00 48.34 C ATOM 675 O LEU A1044 1.707 40.140 0.772 1.00 47.99 O ATOM 676 CB LEU A1044 2.293 42.285 2.776 1.00 53.92 C ATOM 677 CG LEU A1044 2.633 43.707 3.238 1.00 58.65 C ATOM 678 CD1 LEU A1044 4.045 43.737 3.814 1.00 61.84 C ATOM 679 CD2 LEU A1044 2.500 44.715 2.106 1.00 59.20 C ATOM 680 H LEU A1044 -0.266 42.272 3.688 1.00 0.00 H ATOM 681 N THR A1045 -0.201 39.987 1.963 1.00 47.62 N ATOM 682 CA THR A1045 -0.546 38.635 1.524 1.00 46.93 C ATOM 683 C THR A1045 -2.066 38.488 1.383 1.00 47.71 C ATOM 684 O THR A1045 -2.840 39.263 1.957 1.00 46.17 O ATOM 685 CB THR A1045 -0.061 37.556 2.518 1.00 47.73 C ATOM 686 OG1 THR A1045 -0.817 37.631 3.735 1.00 47.28 O ATOM 687 CG2 THR A1045 1.420 37.700 2.838 1.00 48.92 C ATOM 688 HG1 THR A1045 -0.498 36.936 4.364 1.00 0.00 H ATOM 689 H THR A1045 -0.816 40.454 2.660 1.00 0.00 H ATOM 690 N VAL A1046 -2.496 37.484 0.626 1.00 45.75 N ATOM 691 CA VAL A1046 -3.926 37.166 0.548 1.00 45.94 C ATOM 692 C VAL A1046 -4.408 36.628 1.895 1.00 45.56 C ATOM 693 O VAL A1046 -5.545 36.871 2.295 1.00 46.48 O ATOM 694 CB VAL A1046 -4.253 36.198 -0.608 1.00 45.32 C ATOM 695 CG1 VAL A1046 -5.743 35.894 -0.650 1.00 47.36 C ATOM 696 CG2 VAL A1046 -3.826 36.810 -1.936 1.00 48.37 C ATOM 697 H VAL A1046 -1.812 36.918 0.084 1.00 0.00 H ATOM 698 N LYS A1047 -3.531 35.928 2.612 1.00 48.18 N ATOM 699 CA LYS A1047 -3.860 35.434 3.947 1.00 50.92 C ATOM 700 C LYS A1047 -4.298 36.577 4.877 1.00 49.79 C ATOM 701 O LYS A1047 -5.293 36.460 5.594 1.00 50.44 O ATOM 702 CB LYS A1047 -2.669 34.670 4.540 1.00 57.82 C ATOM 703 CG LYS A1047 -3.033 33.670 5.622 1.00 66.78 C ATOM 704 CD LYS A1047 -1.919 32.650 5.841 1.00 74.86 C ATOM 705 CE LYS A1047 -1.906 31.581 4.755 1.00 80.67 C ATOM 706 NZ LYS A1047 -0.958 30.471 5.059 1.00 89.47 N ATOM 707 HZ1 LYS A1047 0.005 30.853 5.145 1.00 0.00 H ATOM 708 HZ2 LYS A1047 -1.233 30.017 5.953 1.00 0.00 H ATOM 709 HZ3 LYS A1047 -0.987 29.771 4.290 1.00 0.00 H ATOM 710 H LYS A1047 -2.591 35.729 2.213 1.00 0.00 H ATOM 711 N ASP A1048 -3.567 37.686 4.858 1.00 47.66 N ATOM 712 CA ASP A1048 -3.925 38.838 5.680 1.00 49.09 C ATOM 713 C ASP A1048 -5.244 39.493 5.243 1.00 49.82 C ATOM 714 O ASP A1048 -6.028 39.929 6.084 1.00 47.48 O ATOM 715 CB ASP A1048 -2.790 39.860 5.703 1.00 52.35 C ATOM 716 CG ASP A1048 -1.590 39.386 6.522 1.00 54.18 C ATOM 717 OD1 ASP A1048 -1.714 38.424 7.305 1.00 65.46 O ATOM 718 OD2 ASP A1048 -0.522 39.979 6.380 1.00 61.26 O ATOM 719 H ASP A1048 -2.726 37.734 4.248 1.00 0.00 H ATOM 720 N TYR A1049 -5.482 39.554 3.937 1.00 43.26 N ATOM 721 CA TYR A1049 -6.782 39.989 3.401 1.00 44.47 C ATOM 722 C TYR A1049 -7.927 39.116 3.919 1.00 44.50 C ATOM 723 O TYR A1049 -8.954 39.620 4.394 1.00 43.14 O ATOM 724 CB TYR A1049 -6.733 39.947 1.871 1.00 43.22 C ATOM 725 CG TYR A1049 -8.040 40.177 1.159 1.00 43.26 C ATOM 726 CD1 TYR A1049 -8.488 41.467 0.881 1.00 43.23 C ATOM 727 CD2 TYR A1049 -8.809 39.103 0.718 1.00 42.78 C ATOM 728 CE1 TYR A1049 -9.674 41.677 0.207 1.00 42.74 C ATOM 729 CE2 TYR A1049 -9.992 39.302 0.035 1.00 42.38 C ATOM 730 CZ TYR A1049 -10.427 40.585 -0.212 1.00 44.16 C ATOM 731 OH TYR A1049 -11.604 40.771 -0.891 1.00 43.03 O ATOM 732 HH TYR A1049 -11.778 41.741 -0.988 1.00 0.00 H ATOM 733 H TYR A1049 -4.727 39.286 3.274 1.00 0.00 H ATOM 734 N LEU A1050 -7.753 37.804 3.834 1.00 44.48 N ATOM 735 CA LEU A1050 -8.808 36.877 4.249 1.00 46.86 C ATOM 736 C LEU A1050 -9.109 36.922 5.746 1.00 48.16 C ATOM 737 O LEU A1050 -10.219 36.577 6.160 1.00 47.29 O ATOM 738 CB LEU A1050 -8.485 35.453 3.822 1.00 45.40 C ATOM 739 CG LEU A1050 -8.666 35.203 2.327 1.00 47.74 C ATOM 740 CD1 LEU A1050 -8.053 33.864 1.957 1.00 50.97 C ATOM 741 CD2 LEU A1050 -10.136 35.266 1.927 1.00 51.05 C ATOM 742 H LEU A1050 -6.855 37.428 3.468 1.00 0.00 H ATOM 743 N ARG A1051 -8.139 37.351 6.551 1.00 45.30 N ATOM 744 CA ARG A1051 -8.388 37.587 7.973 1.00 49.82 C ATOM 745 C ARG A1051 -9.460 38.649 8.192 1.00 44.84 C ATOM 746 O ARG A1051 -10.293 38.515 9.086 1.00 44.31 O ATOM 747 CB ARG A1051 -7.106 37.981 8.720 1.00 55.01 C ATOM 748 CG ARG A1051 -6.377 36.805 9.348 1.00 67.61 C ATOM 749 CD ARG A1051 -5.281 37.258 10.308 1.00 75.00 C ATOM 750 NE ARG A1051 -3.965 37.284 9.674 1.00 81.33 N ATOM 751 CZ ARG A1051 -3.217 36.209 9.428 1.00 87.85 C ATOM 752 NH1 ARG A1051 -3.643 34.988 9.748 1.00 91.87 N ATOM 753 NH2 ARG A1051 -2.031 36.351 8.848 1.00 92.28 N ATOM 754 HE ARG A1051 -3.584 38.210 9.394 1.00 0.00 H ATOM 755 HH12 ARG A1051 -3.046 34.160 9.549 1.00 0.00 H ATOM 756 HH11 ARG A1051 -4.573 34.863 10.197 1.00 0.00 H ATOM 757 HH22 ARG A1051 -1.444 35.515 8.654 1.00 0.00 H ATOM 758 HH21 ARG A1051 -1.689 37.298 8.588 1.00 0.00 H ATOM 759 H ARG A1051 -7.189 37.521 6.163 1.00 0.00 H ATOM 760 N ASP A1052 -9.443 39.694 7.371 1.00 44.96 N ATOM 761 CA ASP A1052 -10.463 40.740 7.450 1.00 43.75 C ATOM 762 C ASP A1052 -11.805 40.294 6.871 1.00 44.55 C ATOM 763 O ASP A1052 -12.856 40.686 7.379 1.00 44.89 O ATOM 764 CB ASP A1052 -9.976 42.041 6.798 1.00 44.41 C ATOM 765 CG ASP A1052 -9.163 42.905 7.756 1.00 48.22 C ATOM 766 OD1 ASP A1052 -9.195 42.628 8.973 1.00 46.03 O ATOM 767 OD2 ASP A1052 -8.509 43.871 7.305 1.00 47.25 O ATOM 768 H ASP A1052 -8.690 39.770 6.658 1.00 0.00 H ATOM 769 N ILE A1053 -11.781 39.476 5.825 1.00 44.08 N ATOM 770 CA ILE A1053 -13.018 38.864 5.330 1.00 43.77 C ATOM 771 C ILE A1053 -13.624 37.979 6.434 1.00 45.26 C ATOM 772 O ILE A1053 -14.828 38.057 6.721 1.00 45.57 O ATOM 773 CB ILE A1053 -12.775 38.051 4.034 1.00 44.35 C ATOM 774 CG1 ILE A1053 -12.321 38.968 2.885 1.00 45.57 C ATOM 775 CG2 ILE A1053 -14.013 37.255 3.635 1.00 44.76 C ATOM 776 CD1 ILE A1053 -13.268 40.096 2.530 1.00 45.36 C ATOM 777 H ILE A1053 -10.878 39.268 5.353 1.00 0.00 H ATOM 778 N ASP A1054 -12.790 37.151 7.063 1.00 44.42 N ATOM 779 CA ASP A1054 -13.237 36.306 8.178 1.00 46.28 C ATOM 780 C ASP A1054 -13.793 37.141 9.330 1.00 47.00 C ATOM 781 O ASP A1054 -14.737 36.727 9.998 1.00 47.56 O ATOM 782 CB ASP A1054 -12.092 35.430 8.698 1.00 49.54 C ATOM 783 CG ASP A1054 -11.755 34.277 7.759 1.00 54.73 C ATOM 784 OD1 ASP A1054 -12.620 33.847 6.980 1.00 58.54 O ATOM 785 OD2 ASP A1054 -10.623 33.783 7.825 1.00 58.75 O ATOM 786 H ASP A1054 -11.797 37.102 6.756 1.00 0.00 H ATOM 787 N LEU A1055 -13.191 38.307 9.560 1.00 44.26 N ATOM 788 CA LEU A1055 -13.642 39.232 10.586 1.00 47.11 C ATOM 789 C LEU A1055 -15.038 39.791 10.267 1.00 48.31 C ATOM 790 O LEU A1055 -15.884 39.887 11.148 1.00 45.75 O ATOM 791 CB LEU A1055 -12.629 40.362 10.740 1.00 49.06 C ATOM 792 CG LEU A1055 -12.845 41.420 11.816 1.00 53.39 C ATOM 793 CD1 LEU A1055 -12.979 40.809 13.205 1.00 52.11 C ATOM 794 CD2 LEU A1055 -11.684 42.401 11.753 1.00 51.30 C ATOM 795 H LEU A1055 -12.366 38.565 8.982 1.00 0.00 H ATOM 796 N ILE A1056 -15.283 40.146 9.008 1.00 45.76 N ATOM 797 CA ILE A1056 -16.626 40.570 8.592 1.00 46.21 C ATOM 798 C ILE A1056 -17.641 39.486 8.952 1.00 46.38 C ATOM 799 O ILE A1056 -18.704 39.775 9.522 1.00 47.78 O ATOM 800 CB ILE A1056 -16.697 40.894 7.081 1.00 47.45 C ATOM 801 CG1 ILE A1056 -15.867 42.144 6.758 1.00 45.01 C ATOM 802 CG2 ILE A1056 -18.141 41.100 6.653 1.00 48.37 C ATOM 803 CD1 ILE A1056 -15.799 42.503 5.285 1.00 46.75 C ATOM 804 H ILE A1056 -14.513 40.123 8.309 1.00 0.00 H ATOM 805 N CYS A1057 -17.300 38.238 8.645 1.00 45.12 N ATOM 806 CA CYS A1057 -18.173 37.105 8.933 1.00 47.39 C ATOM 807 C CYS A1057 -18.350 36.847 10.434 1.00 48.14 C ATOM 808 O CYS A1057 -19.484 36.779 10.931 1.00 48.66 O ATOM 809 CB CYS A1057 -17.651 35.850 8.229 1.00 49.07 C ATOM 810 SG CYS A1057 -18.711 34.397 8.405 1.00 54.64 S ATOM 811 H CYS A1057 -16.383 38.064 8.186 1.00 0.00 H ATOM 812 N SER A1058 -17.241 36.719 11.159 1.00 45.10 N ATOM 813 CA SER A1058 -17.303 36.422 12.594 1.00 48.81 C ATOM 814 C SER A1058 -18.049 37.507 13.382 1.00 48.97 C ATOM 815 O SER A1058 -18.812 37.190 14.297 1.00 48.15 O ATOM 816 CB SER A1058 -15.898 36.189 13.174 1.00 51.88 C ATOM 817 OG SER A1058 -15.105 37.357 13.103 1.00 55.50 O ATOM 818 HG SER A1058 -15.540 38.082 13.618 1.00 0.00 H ATOM 819 H SER A1058 -16.315 36.832 10.700 1.00 0.00 H ATOM 820 N ASN A1059 -17.841 38.775 13.023 1.00 46.14 N ATOM 821 CA ASN A1059 -18.597 39.879 13.624 1.00 47.75 C ATOM 822 C ASN A1059 -20.110 39.711 13.447 1.00 49.11 C ATOM 823 O ASN A1059 -20.880 39.958 14.373 1.00 47.00 O ATOM 824 CB ASN A1059 -18.176 41.233 13.036 1.00 47.59 C ATOM 825 CG ASN A1059 -16.815 41.702 13.530 1.00 49.69 C ATOM 826 OD1 ASN A1059 -16.257 41.162 14.482 1.00 51.56 O ATOM 827 ND2 ASN A1059 -16.285 42.729 12.888 1.00 48.44 N ATOM 828 HD22 ASN A1059 -16.790 43.158 12.086 1.00 0.00 H ATOM 829 HD21 ASN A1059 -15.363 43.108 13.185 1.00 0.00 H ATOM 830 H ASN A1059 -17.125 38.986 12.299 1.00 0.00 H ATOM 831 N ALA A1060 -20.528 39.311 12.250 1.00 47.79 N ATOM 832 CA ALA A1060 -21.949 39.089 11.969 1.00 47.91 C ATOM 833 C ALA A1060 -22.512 37.936 12.802 1.00 47.88 C ATOM 834 O ALA A1060 -23.621 38.032 13.317 1.00 50.60 O ATOM 835 CB ALA A1060 -22.164 38.832 10.480 1.00 46.50 C ATOM 836 H ALA A1060 -19.830 39.152 11.495 1.00 0.00 H ATOM 837 N LEU A1061 -21.750 36.853 12.936 1.00 49.22 N ATOM 838 CA LEU A1061 -22.187 35.716 13.745 1.00 51.89 C ATOM 839 C LEU A1061 -22.278 36.097 15.225 1.00 55.30 C ATOM 840 O LEU A1061 -23.201 35.671 15.927 1.00 54.23 O ATOM 841 CB LEU A1061 -21.261 34.507 13.563 1.00 55.33 C ATOM 842 CG LEU A1061 -20.996 33.974 12.145 1.00 59.06 C ATOM 843 CD1 LEU A1061 -20.290 32.628 12.220 1.00 64.46 C ATOM 844 CD2 LEU A1061 -22.249 33.859 11.290 1.00 60.79 C ATOM 845 H LEU A1061 -20.828 36.815 12.457 1.00 0.00 H ATOM 846 N GLU A1062 -21.333 36.916 15.683 1.00 53.98 N ATOM 847 CA GLU A1062 -21.301 37.375 17.075 1.00 56.14 C ATOM 848 C GLU A1062 -22.429 38.356 17.376 1.00 54.91 C ATOM 849 O GLU A1062 -23.118 38.221 18.384 1.00 55.29 O ATOM 850 CB GLU A1062 -19.951 38.031 17.398 1.00 56.16 C ATOM 851 CG GLU A1062 -19.836 38.550 18.828 1.00 61.01 C ATOM 852 CD GLU A1062 -18.506 39.233 19.124 1.00 65.85 C ATOM 853 OE1 GLU A1062 -17.650 39.338 18.218 1.00 63.10 O ATOM 854 OE2 GLU A1062 -18.325 39.671 20.279 1.00 72.57 O ATOM 855 H GLU A1062 -20.592 37.241 15.030 1.00 0.00 H ATOM 856 N TYR A1063 -22.611 39.350 16.513 1.00 53.23 N ATOM 857 CA TYR A1063 -23.573 40.405 16.795 1.00 52.91 C ATOM 858 C TYR A1063 -25.030 39.993 16.560 1.00 55.31 C ATOM 859 O TYR A1063 -25.932 40.551 17.189 1.00 55.67 O ATOM 860 CB TYR A1063 -23.267 41.676 16.001 1.00 54.97 C ATOM 861 CG TYR A1063 -24.131 42.816 16.462 1.00 58.48 C ATOM 862 CD1 TYR A1063 -23.900 43.426 17.691 1.00 60.67 C ATOM 863 CD2 TYR A1063 -25.222 43.241 15.709 1.00 63.56 C ATOM 864 CE1 TYR A1063 -24.707 44.454 18.140 1.00 64.24 C ATOM 865 CE2 TYR A1063 -26.038 44.266 16.151 1.00 65.06 C ATOM 866 CZ TYR A1063 -25.773 44.868 17.365 1.00 66.55 C ATOM 867 OH TYR A1063 -26.576 45.882 17.809 1.00 74.43 O ATOM 868 HH TYR A1063 -26.249 46.199 18.688 1.00 0.00 H ATOM 869 H TYR A1063 -22.062 39.374 15.630 1.00 0.00 H ATOM 870 N ASN A1064 -25.258 39.025 15.675 1.00 53.67 N ATOM 871 CA ASN A1064 -26.617 38.579 15.330 1.00 53.65 C ATOM 872 C ASN A1064 -26.787 37.083 15.593 1.00 51.83 C ATOM 873 O ASN A1064 -26.942 36.312 14.655 1.00 51.48 O ATOM 874 CB ASN A1064 -26.907 38.874 13.846 1.00 53.44 C ATOM 875 CG ASN A1064 -26.465 40.264 13.421 1.00 54.29 C ATOM 876 OD1 ASN A1064 -27.199 41.241 13.575 1.00 54.99 O ATOM 877 ND2 ASN A1064 -25.264 40.355 12.855 1.00 52.79 N ATOM 878 HD22 ASN A1064 -24.676 39.505 12.744 1.00 0.00 H ATOM 879 HD21 ASN A1064 -24.914 41.276 12.524 1.00 0.00 H ATOM 880 H ASN A1064 -24.447 38.568 15.211 1.00 0.00 H ATOM 881 N PRO A1065 -26.765 36.662 16.871 1.00 54.86 N ATOM 882 CA PRO A1065 -26.717 35.231 17.167 1.00 55.85 C ATOM 883 C PRO A1065 -28.085 34.568 17.343 1.00 57.38 C ATOM 884 O PRO A1065 -28.146 33.361 17.574 1.00 60.74 O ATOM 885 CB PRO A1065 -25.969 35.203 18.499 1.00 57.15 C ATOM 886 CG PRO A1065 -26.440 36.444 19.184 1.00 57.86 C ATOM 887 CD PRO A1065 -26.726 37.463 18.111 1.00 57.55 C ATOM 888 N ASP A1066 -29.162 35.341 17.221 1.00 56.64 N ATOM 889 CA ASP A1066 -30.497 34.873 17.588 1.00 58.31 C ATOM 890 C ASP A1066 -31.184 34.079 16.486 1.00 57.96 C ATOM 891 O ASP A1066 -30.754 34.075 15.332 1.00 54.58 O ATOM 892 CB ASP A1066 -31.375 36.062 18.002 1.00 59.99 C ATOM 893 CG ASP A1066 -30.860 36.765 19.254 1.00 65.54 C ATOM 894 OD1 ASP A1066 -30.014 36.187 19.963 1.00 64.67 O ATOM 895 OD2 ASP A1066 -31.310 37.895 19.546 1.00 70.39 O ATOM 896 H ASP A1066 -29.050 36.307 16.853 1.00 0.00 H ATOM 897 N ARG A1067 -32.268 33.403 16.858 1.00 57.78 N ATOM 898 CA ARG A1067 -33.025 32.593 15.905 1.00 58.03 C ATOM 899 C ARG A1067 -33.932 33.449 15.013 1.00 56.45 C ATOM 900 O ARG A1067 -34.474 32.950 14.033 1.00 56.89 O ATOM 901 CB ARG A1067 -33.857 31.544 16.636 1.00 60.59 C ATOM 902 CG ARG A1067 -34.922 32.139 17.546 1.00 61.14 C ATOM 903 CD ARG A1067 -36.203 31.332 17.531 1.00 64.46 C ATOM 904 NE ARG A1067 -36.713 31.100 16.185 1.00 64.11 N ATOM 905 CZ ARG A1067 -37.521 31.924 15.510 1.00 65.98 C ATOM 906 NH1 ARG A1067 -37.936 33.089 16.023 1.00 62.84 N ATOM 907 NH2 ARG A1067 -37.909 31.577 14.294 1.00 58.45 N ATOM 908 HE ARG A1067 -36.424 30.221 15.711 1.00 0.00 H ATOM 909 HH12 ARG A1067 -38.565 33.706 15.470 1.00 0.00 H ATOM 910 HH11 ARG A1067 -37.630 33.377 16.974 1.00 0.00 H ATOM 911 HH22 ARG A1067 -38.537 32.202 13.750 1.00 0.00 H ATOM 912 HH21 ARG A1067 -37.586 30.679 13.881 1.00 0.00 H ATOM 913 H ARG A1067 -32.583 33.452 17.848 1.00 0.00 H ATOM 914 N ASP A1068 -34.117 34.715 15.391 1.00 56.91 N ATOM 915 CA ASP A1068 -34.859 35.708 14.606 1.00 60.79 C ATOM 916 C ASP A1068 -34.486 35.606 13.118 1.00 57.60 C ATOM 917 O ASP A1068 -33.301 35.489 12.796 1.00 56.36 O ATOM 918 CB ASP A1068 -34.510 37.106 15.141 1.00 64.92 C ATOM 919 CG ASP A1068 -35.237 38.223 14.420 1.00 72.40 C ATOM 920 OD1 ASP A1068 -36.423 38.462 14.730 1.00 80.25 O ATOM 921 OD2 ASP A1068 -34.607 38.892 13.573 1.00 73.81 O ATOM 922 H ASP A1068 -33.710 35.017 16.299 1.00 0.00 H ATOM 923 N PRO A1069 -35.486 35.631 12.211 1.00 55.77 N ATOM 924 CA PRO A1069 -35.168 35.543 10.781 1.00 54.40 C ATOM 925 C PRO A1069 -34.230 36.639 10.276 1.00 51.24 C ATOM 926 O PRO A1069 -33.446 36.388 9.358 1.00 48.63 O ATOM 927 CB PRO A1069 -36.536 35.656 10.101 1.00 55.85 C ATOM 928 CG PRO A1069 -37.511 35.220 11.130 1.00 58.42 C ATOM 929 CD PRO A1069 -36.942 35.612 12.452 1.00 58.26 C ATOM 930 N GLY A1070 -34.309 37.834 10.859 1.00 50.16 N ATOM 931 CA GLY A1070 -33.369 38.906 10.523 1.00 53.90 C ATOM 932 C GLY A1070 -31.925 38.518 10.809 1.00 51.68 C ATOM 933 O GLY A1070 -31.043 38.695 9.967 1.00 51.17 O ATOM 934 H GLY A1070 -35.052 38.009 11.566 1.00 0.00 H ATOM 935 N ASP A1071 -31.687 37.980 12.003 1.00 51.52 N ATOM 936 CA ASP A1071 -30.359 37.490 12.390 1.00 54.29 C ATOM 937 C ASP A1071 -29.925 36.319 11.517 1.00 52.00 C ATOM 938 O ASP A1071 -28.799 36.283 11.034 1.00 50.81 O ATOM 939 CB ASP A1071 -30.339 37.039 13.856 1.00 55.79 C ATOM 940 CG ASP A1071 -30.243 38.196 14.828 1.00 58.68 C ATOM 941 OD1 ASP A1071 -30.618 39.331 14.466 1.00 60.92 O ATOM 942 OD2 ASP A1071 -29.775 37.963 15.960 1.00 57.70 O ATOM 943 H ASP A1071 -32.469 37.904 12.685 1.00 0.00 H ATOM 944 N ARG A1072 -30.810 35.352 11.319 1.00 51.25 N ATOM 945 CA ARG A1072 -30.454 34.191 10.504 1.00 52.32 C ATOM 946 C ARG A1072 -30.087 34.582 9.067 1.00 52.53 C ATOM 947 O ARG A1072 -29.186 33.992 8.488 1.00 47.92 O ATOM 948 CB ARG A1072 -31.549 33.128 10.533 1.00 54.76 C ATOM 949 CG ARG A1072 -31.508 32.296 11.805 1.00 58.54 C ATOM 950 CD ARG A1072 -32.597 31.247 11.868 1.00 61.27 C ATOM 951 NE ARG A1072 -32.467 30.412 13.064 1.00 62.67 N ATOM 952 CZ ARG A1072 -33.413 29.603 13.542 1.00 68.78 C ATOM 953 NH1 ARG A1072 -34.597 29.509 12.945 1.00 71.65 N ATOM 954 NH2 ARG A1072 -33.177 28.888 14.639 1.00 70.08 N ATOM 955 HE ARG A1072 -31.566 30.453 13.581 1.00 0.00 H ATOM 956 HH12 ARG A1072 -35.325 28.873 13.330 1.00 0.00 H ATOM 957 HH11 ARG A1072 -34.796 30.071 12.093 1.00 0.00 H ATOM 958 HH22 ARG A1072 -33.912 28.256 15.016 1.00 0.00 H ATOM 959 HH21 ARG A1072 -32.258 28.962 15.120 1.00 0.00 H ATOM 960 H ARG A1072 -31.757 35.419 11.743 1.00 0.00 H ATOM 961 N LEU A1073 -30.775 35.579 8.512 1.00 52.37 N ATOM 962 CA LEU A1073 -30.488 36.054 7.162 1.00 50.87 C ATOM 963 C LEU A1073 -29.093 36.672 7.079 1.00 50.35 C ATOM 964 O LEU A1073 -28.330 36.355 6.159 1.00 47.53 O ATOM 965 CB LEU A1073 -31.549 37.056 6.700 1.00 49.07 C ATOM 966 CG LEU A1073 -31.366 37.704 5.326 1.00 47.12 C ATOM 967 CD1 LEU A1073 -31.271 36.672 4.211 1.00 49.13 C ATOM 968 CD2 LEU A1073 -32.504 38.675 5.061 1.00 52.71 C ATOM 969 H LEU A1073 -31.538 36.031 9.056 1.00 0.00 H ATOM 970 N ILE A1074 -28.756 37.535 8.037 1.00 48.60 N ATOM 971 CA ILE A1074 -27.453 38.185 8.010 1.00 49.09 C ATOM 972 C ILE A1074 -26.329 37.165 8.227 1.00 48.98 C ATOM 973 O ILE A1074 -25.299 37.252 7.570 1.00 47.95 O ATOM 974 CB ILE A1074 -27.364 39.378 8.985 1.00 48.27 C ATOM 975 CG1 ILE A1074 -26.180 40.271 8.609 1.00 47.35 C ATOM 976 CG2 ILE A1074 -27.258 38.923 10.429 1.00 50.14 C ATOM 977 CD1 ILE A1074 -26.115 41.542 9.416 1.00 47.52 C ATOM 978 H ILE A1074 -29.425 37.745 8.805 1.00 0.00 H ATOM 979 N ARG A1075 -26.536 36.183 9.109 1.00 49.25 N ATOM 980 CA ARG A1075 -25.535 35.119 9.294 1.00 50.08 C ATOM 981 C ARG A1075 -25.335 34.307 8.011 1.00 48.75 C ATOM 982 O ARG A1075 -24.205 33.979 7.653 1.00 47.64 O ATOM 983 CB ARG A1075 -25.902 34.182 10.450 1.00 52.05 C ATOM 984 CG ARG A1075 -25.871 34.834 11.825 1.00 52.14 C ATOM 985 CD ARG A1075 -25.605 33.816 12.925 1.00 54.23 C ATOM 986 NE ARG A1075 -26.594 32.742 12.975 1.00 56.95 N ATOM 987 CZ ARG A1075 -27.801 32.840 13.527 1.00 56.57 C ATOM 988 NH1 ARG A1075 -28.210 33.979 14.079 1.00 59.51 N ATOM 989 NH2 ARG A1075 -28.610 31.790 13.526 1.00 61.61 N ATOM 990 HE ARG A1075 -26.335 31.831 12.546 1.00 0.00 H ATOM 991 HH12 ARG A1075 -29.156 34.039 14.506 1.00 0.00 H ATOM 992 HH11 ARG A1075 -27.584 34.809 14.083 1.00 0.00 H ATOM 993 HH22 ARG A1075 -29.554 31.861 13.956 1.00 0.00 H ATOM 994 HH21 ARG A1075 -28.300 30.895 13.095 1.00 0.00 H ATOM 995 H ARG A1075 -27.412 36.170 9.670 1.00 0.00 H ATOM 996 N HIS A1076 -26.426 33.976 7.323 1.00 48.32 N ATOM 997 CA HIS A1076 -26.330 33.233 6.065 1.00 47.49 C ATOM 998 C HIS A1076 -25.567 34.028 5.007 1.00 46.67 C ATOM 999 O HIS A1076 -24.745 33.467 4.289 1.00 46.07 O ATOM 1000 CB HIS A1076 -27.714 32.850 5.531 1.00 48.02 C ATOM 1001 CG HIS A1076 -27.672 31.893 4.381 1.00 50.68 C ATOM 1002 ND1 HIS A1076 -27.641 32.307 3.066 1.00 52.26 N ATOM 1003 CD2 HIS A1076 -27.641 30.539 4.349 1.00 52.87 C ATOM 1004 CE1 HIS A1076 -27.600 31.249 2.274 1.00 51.76 C ATOM 1005 NE2 HIS A1076 -27.599 30.164 3.028 1.00 51.49 N ATOM 1006 H HIS A1076 -27.362 34.250 7.685 1.00 0.00 H ATOM 1007 N ARG A1077 -25.853 35.325 4.923 1.00 45.88 N ATOM 1008 CA ARG A1077 -25.171 36.218 3.994 1.00 48.21 C ATOM 1009 C ARG A1077 -23.695 36.374 4.359 1.00 46.88 C ATOM 1010 O ARG A1077 -22.847 36.408 3.477 1.00 44.32 O ATOM 1011 CB ARG A1077 -25.851 37.589 3.961 1.00 48.40 C ATOM 1012 CG ARG A1077 -27.210 37.575 3.275 1.00 46.27 C ATOM 1013 CD ARG A1077 -27.978 38.859 3.519 1.00 47.45 C ATOM 1014 NE ARG A1077 -29.076 39.013 2.574 1.00 48.16 N ATOM 1015 CZ ARG A1077 -29.970 40.000 2.583 1.00 49.59 C ATOM 1016 NH1 ARG A1077 -29.921 40.962 3.496 1.00 51.22 N ATOM 1017 NH2 ARG A1077 -30.923 40.021 1.662 1.00 51.67 N ATOM 1018 HE ARG A1077 -29.169 38.292 1.830 1.00 0.00 H ATOM 1019 HH12 ARG A1077 -30.628 41.724 3.487 1.00 0.00 H ATOM 1020 HH11 ARG A1077 -29.175 40.953 4.221 1.00 0.00 H ATOM 1021 HH22 ARG A1077 -31.627 40.787 1.659 1.00 0.00 H ATOM 1022 HH21 ARG A1077 -30.967 39.272 0.942 1.00 0.00 H ATOM 1023 H ARG A1077 -26.591 35.716 5.543 1.00 0.00 H ATOM 1024 N ALA A1078 -23.403 36.455 5.658 1.00 46.10 N ATOM 1025 CA ALA A1078 -22.020 36.534 6.147 1.00 47.03 C ATOM 1026 C ALA A1078 -21.206 35.301 5.752 1.00 47.78 C ATOM 1027 O ALA A1078 -20.085 35.418 5.234 1.00 48.60 O ATOM 1028 CB ALA A1078 -22.011 36.718 7.660 1.00 48.14 C ATOM 1029 H ALA A1078 -24.181 36.462 6.348 1.00 0.00 H ATOM 1030 N CYS A1079 -21.777 34.124 5.991 1.00 49.51 N ATOM 1031 CA CYS A1079 -21.150 32.872 5.598 1.00 49.24 C ATOM 1032 C CYS A1079 -21.000 32.807 4.083 1.00 48.23 C ATOM 1033 O CYS A1079 -19.983 32.330 3.586 1.00 46.55 O ATOM 1034 CB CYS A1079 -21.945 31.667 6.118 1.00 54.85 C ATOM 1035 SG CYS A1079 -21.754 31.409 7.904 1.00 64.40 S ATOM 1036 H CYS A1079 -22.698 34.098 6.473 1.00 0.00 H ATOM 1037 N ALA A1080 -22.005 33.298 3.355 1.00 47.45 N ATOM 1038 CA ALA A1080 -21.938 33.344 1.892 1.00 46.25 C ATOM 1039 C ALA A1080 -20.832 34.275 1.394 1.00 47.27 C ATOM 1040 O ALA A1080 -20.151 33.953 0.426 1.00 44.11 O ATOM 1041 CB ALA A1080 -23.280 33.751 1.294 1.00 46.16 C ATOM 1042 H ALA A1080 -22.854 33.656 3.837 1.00 0.00 H ATOM 1043 N LEU A1081 -20.675 35.427 2.042 1.00 47.14 N ATOM 1044 CA LEU A1081 -19.598 36.367 1.712 1.00 46.68 C ATOM 1045 C LEU A1081 -18.243 35.686 1.853 1.00 46.22 C ATOM 1046 O LEU A1081 -17.409 35.739 0.946 1.00 43.16 O ATOM 1047 CB LEU A1081 -19.645 37.586 2.640 1.00 47.69 C ATOM 1048 CG LEU A1081 -18.463 38.561 2.538 1.00 53.76 C ATOM 1049 CD1 LEU A1081 -18.567 39.350 1.249 1.00 53.27 C ATOM 1050 CD2 LEU A1081 -18.431 39.494 3.733 1.00 57.99 C ATOM 1051 H LEU A1081 -21.337 35.669 2.807 1.00 0.00 H ATOM 1052 N ARG A1082 -18.035 35.057 3.006 1.00 46.84 N ATOM 1053 CA ARG A1082 -16.796 34.345 3.296 1.00 49.28 C ATOM 1054 C ARG A1082 -16.533 33.211 2.302 1.00 48.35 C ATOM 1055 O ARG A1082 -15.447 33.124 1.732 1.00 44.68 O ATOM 1056 CB ARG A1082 -16.821 33.789 4.718 1.00 52.96 C ATOM 1057 CG ARG A1082 -15.471 33.285 5.184 1.00 58.09 C ATOM 1058 CD ARG A1082 -15.553 32.467 6.457 1.00 67.04 C ATOM 1059 NE ARG A1082 -14.261 31.849 6.746 1.00 74.69 N ATOM 1060 CZ ARG A1082 -14.057 30.862 7.614 1.00 81.85 C ATOM 1061 NH1 ARG A1082 -12.830 30.383 7.777 1.00 81.51 N ATOM 1062 NH2 ARG A1082 -15.062 30.348 8.320 1.00 87.92 N ATOM 1063 HE ARG A1082 -13.433 32.210 6.231 1.00 0.00 H ATOM 1064 HH12 ARG A1082 -12.659 29.611 8.453 1.00 0.00 H ATOM 1065 HH11 ARG A1082 -12.040 30.779 7.229 1.00 0.00 H ATOM 1066 HH22 ARG A1082 -14.883 29.576 8.994 1.00 0.00 H ATOM 1067 HH21 ARG A1082 -16.026 30.718 8.197 1.00 0.00 H ATOM 1068 H ARG A1082 -18.784 35.074 3.728 1.00 0.00 H ATOM 1069 N ASP A1083 -17.519 32.344 2.103 1.00 48.26 N ATOM 1070 CA ASP A1083 -17.390 31.242 1.149 1.00 48.17 C ATOM 1071 C ASP A1083 -17.093 31.735 -0.273 1.00 46.28 C ATOM 1072 O ASP A1083 -16.251 31.158 -0.972 1.00 46.13 O ATOM 1073 CB ASP A1083 -18.652 30.367 1.140 1.00 50.95 C ATOM 1074 CG ASP A1083 -18.818 29.538 2.415 1.00 55.40 C ATOM 1075 OD1 ASP A1083 -17.887 29.465 3.245 1.00 56.40 O ATOM 1076 OD2 ASP A1083 -19.908 28.968 2.593 1.00 55.44 O ATOM 1077 H ASP A1083 -18.404 32.451 2.638 1.00 0.00 H ATOM 1078 N THR A1084 -17.769 32.803 -0.691 1.00 44.16 N ATOM 1079 CA THR A1084 -17.576 33.352 -2.029 1.00 44.80 C ATOM 1080 C THR A1084 -16.156 33.893 -2.212 1.00 44.39 C ATOM 1081 O THR A1084 -15.523 33.631 -3.237 1.00 43.89 O ATOM 1082 CB THR A1084 -18.608 34.453 -2.353 1.00 45.23 C ATOM 1083 OG1 THR A1084 -19.930 33.903 -2.289 1.00 44.81 O ATOM 1084 CG2 THR A1084 -18.376 35.024 -3.741 1.00 48.58 C ATOM 1085 HG1 THR A1084 -20.096 33.552 -1.378 1.00 0.00 H ATOM 1086 H THR A1084 -18.450 33.256 -0.049 1.00 0.00 H ATOM 1087 N ALA A1085 -15.668 34.641 -1.229 1.00 42.50 N ATOM 1088 CA ALA A1085 -14.296 35.162 -1.263 1.00 41.76 C ATOM 1089 C ALA A1085 -13.273 34.037 -1.361 1.00 43.57 C ATOM 1090 O ALA A1085 -12.378 34.081 -2.205 1.00 42.28 O ATOM 1091 CB ALA A1085 -14.017 36.013 -0.043 1.00 41.76 C ATOM 1092 H ALA A1085 -16.274 34.864 -0.414 1.00 0.00 H ATOM 1093 N TYR A1086 -13.406 33.033 -0.497 1.00 44.18 N ATOM 1094 CA TYR A1086 -12.495 31.882 -0.519 1.00 44.76 C ATOM 1095 C TYR A1086 -12.544 31.138 -1.857 1.00 45.39 C ATOM 1096 O TYR A1086 -11.508 30.719 -2.365 1.00 44.90 O ATOM 1097 CB TYR A1086 -12.774 30.923 0.647 1.00 47.62 C ATOM 1098 CG TYR A1086 -12.082 31.306 1.944 1.00 48.35 C ATOM 1099 CD1 TYR A1086 -12.609 32.284 2.777 1.00 49.06 C ATOM 1100 CD2 TYR A1086 -10.897 30.687 2.335 1.00 52.20 C ATOM 1101 CE1 TYR A1086 -11.986 32.635 3.967 1.00 48.80 C ATOM 1102 CE2 TYR A1086 -10.270 31.029 3.524 1.00 53.43 C ATOM 1103 CZ TYR A1086 -10.817 32.008 4.334 1.00 52.11 C ATOM 1104 OH TYR A1086 -10.198 32.360 5.515 1.00 52.43 O ATOM 1105 HH TYR A1086 -10.723 33.070 5.963 1.00 0.00 H ATOM 1106 H TYR A1086 -14.170 33.065 0.207 1.00 0.00 H ATOM 1107 N ALA A1087 -13.736 31.001 -2.431 1.00 44.40 N ATOM 1108 CA ALA A1087 -13.914 30.275 -3.691 1.00 48.27 C ATOM 1109 C ALA A1087 -13.297 31.016 -4.883 1.00 46.17 C ATOM 1110 O ALA A1087 -12.674 30.393 -5.741 1.00 43.05 O ATOM 1111 CB ALA A1087 -15.387 30.001 -3.947 1.00 50.47 C ATOM 1112 H ALA A1087 -14.568 31.423 -1.971 1.00 0.00 H ATOM 1113 N ILE A1088 -13.470 32.339 -4.937 1.00 42.36 N ATOM 1114 CA ILE A1088 -12.817 33.143 -5.973 1.00 43.87 C ATOM 1115 C ILE A1088 -11.302 32.989 -5.854 1.00 43.63 C ATOM 1116 O ILE A1088 -10.610 32.727 -6.841 1.00 43.23 O ATOM 1117 CB ILE A1088 -13.211 34.638 -5.895 1.00 42.40 C ATOM 1118 CG1 ILE A1088 -14.676 34.819 -6.309 1.00 44.73 C ATOM 1119 CG2 ILE A1088 -12.307 35.477 -6.791 1.00 42.65 C ATOM 1120 CD1 ILE A1088 -15.270 36.173 -5.967 1.00 44.44 C ATOM 1121 H ILE A1088 -14.077 32.805 -4.233 1.00 0.00 H ATOM 1122 N ILE A1089 -10.799 33.139 -4.636 1.00 44.23 N ATOM 1123 CA ILE A1089 -9.375 33.015 -4.369 1.00 46.04 C ATOM 1124 C ILE A1089 -8.845 31.612 -4.706 1.00 47.43 C ATOM 1125 O ILE A1089 -7.792 31.488 -5.324 1.00 46.82 O ATOM 1126 CB ILE A1089 -9.053 33.450 -2.920 1.00 47.33 C ATOM 1127 CG1 ILE A1089 -9.085 34.985 -2.851 1.00 49.17 C ATOM 1128 CG2 ILE A1089 -7.696 32.934 -2.464 1.00 50.01 C ATOM 1129 CD1 ILE A1089 -9.279 35.554 -1.463 1.00 54.39 C ATOM 1130 H ILE A1089 -11.443 33.352 -3.848 1.00 0.00 H ATOM 1131 N LYS A1090 -9.581 30.567 -4.340 1.00 48.32 N ATOM 1132 CA LYS A1090 -9.160 29.195 -4.678 1.00 49.87 C ATOM 1133 C LYS A1090 -9.022 29.003 -6.190 1.00 49.71 C ATOM 1134 O LYS A1090 -8.104 28.339 -6.659 1.00 50.18 O ATOM 1135 CB LYS A1090 -10.144 28.165 -4.110 1.00 57.21 C ATOM 1136 CG LYS A1090 -9.711 26.716 -4.320 1.00 61.89 C ATOM 1137 CD LYS A1090 -10.788 25.731 -3.887 1.00 68.40 C ATOM 1138 CE LYS A1090 -10.313 24.291 -4.040 1.00 72.79 C ATOM 1139 NZ LYS A1090 -11.368 23.322 -3.630 1.00 77.81 N ATOM 1140 HZ1 LYS A1090 -11.617 23.483 -2.633 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 -12.211 23.456 -4.225 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 -11.011 22.352 -3.747 1.00 0.00 H ATOM 1143 H LYS A1090 -10.463 30.719 -3.810 1.00 0.00 H ATOM 1144 N GLU A1091 -9.927 29.608 -6.948 1.00 48.40 N ATOM 1145 CA GLU A1091 -9.951 29.459 -8.397 1.00 49.81 C ATOM 1146 C GLU A1091 -8.947 30.371 -9.125 1.00 50.74 C ATOM 1147 O GLU A1091 -8.405 29.991 -10.160 1.00 54.09 O ATOM 1148 CB GLU A1091 -11.369 29.728 -8.906 1.00 57.63 C ATOM 1149 CG GLU A1091 -11.737 28.983 -10.175 1.00 72.93 C ATOM 1150 CD GLU A1091 -13.234 28.733 -10.291 1.00 81.52 C ATOM 1151 OE1 GLU A1091 -14.022 29.671 -10.043 1.00 81.99 O ATOM 1152 OE2 GLU A1091 -13.626 27.593 -10.626 1.00 83.16 O ATOM 1153 H GLU A1091 -10.643 30.209 -6.493 1.00 0.00 H ATOM 1154 N GLU A1092 -8.697 31.563 -8.585 1.00 42.48 N ATOM 1155 CA GLU A1092 -8.006 32.617 -9.343 1.00 44.37 C ATOM 1156 C GLU A1092 -6.653 33.075 -8.776 1.00 44.58 C ATOM 1157 O GLU A1092 -5.885 33.731 -9.476 1.00 47.08 O ATOM 1158 CB GLU A1092 -8.945 33.817 -9.509 1.00 44.97 C ATOM 1159 CG GLU A1092 -10.282 33.435 -10.141 1.00 44.44 C ATOM 1160 CD GLU A1092 -11.248 34.598 -10.287 1.00 45.37 C ATOM 1161 OE1 GLU A1092 -10.810 35.765 -10.350 1.00 43.53 O ATOM 1162 OE2 GLU A1092 -12.465 34.342 -10.351 1.00 44.71 O ATOM 1163 H GLU A1092 -8.997 31.752 -7.607 1.00 0.00 H ATOM 1164 N LEU A1093 -6.361 32.735 -7.528 1.00 43.24 N ATOM 1165 CA LEU A1093 -5.068 33.054 -6.933 1.00 46.26 C ATOM 1166 C LEU A1093 -4.079 31.941 -7.229 1.00 49.02 C ATOM 1167 O LEU A1093 -4.312 30.796 -6.851 1.00 49.43 O ATOM 1168 CB LEU A1093 -5.198 33.205 -5.420 1.00 47.42 C ATOM 1169 CG LEU A1093 -3.899 33.373 -4.629 1.00 49.77 C ATOM 1170 CD1 LEU A1093 -3.159 34.621 -5.076 1.00 49.00 C ATOM 1171 CD2 LEU A1093 -4.199 33.406 -3.140 1.00 51.63 C ATOM 1172 H LEU A1093 -7.070 32.229 -6.960 1.00 0.00 H ATOM 1173 N ASP A1094 -2.974 32.271 -7.887 1.00 47.98 N ATOM 1174 CA ASP A1094 -1.905 31.296 -8.082 1.00 48.52 C ATOM 1175 C ASP A1094 -1.192 31.069 -6.753 1.00 47.60 C ATOM 1176 O ASP A1094 -0.740 32.017 -6.118 1.00 44.98 O ATOM 1177 CB ASP A1094 -0.921 31.770 -9.147 1.00 51.17 C ATOM 1178 CG ASP A1094 0.020 30.674 -9.586 1.00 54.22 C ATOM 1179 OD1 ASP A1094 0.770 30.154 -8.735 1.00 57.37 O ATOM 1180 OD2 ASP A1094 0.008 30.321 -10.778 1.00 56.52 O ATOM 1181 H ASP A1094 -2.869 33.233 -8.267 1.00 0.00 H ATOM 1182 N GLU A1095 -1.107 29.810 -6.337 1.00 49.10 N ATOM 1183 CA GLU A1095 -0.483 29.449 -5.059 1.00 52.84 C ATOM 1184 C GLU A1095 0.971 29.914 -4.962 1.00 49.81 C ATOM 1185 O GLU A1095 1.454 30.218 -3.872 1.00 48.07 O ATOM 1186 CB GLU A1095 -0.538 27.933 -4.834 1.00 58.30 C ATOM 1187 CG GLU A1095 -1.917 27.388 -4.507 1.00 67.26 C ATOM 1188 CD GLU A1095 -1.921 25.879 -4.307 1.00 78.74 C ATOM 1189 OE1 GLU A1095 -0.830 25.288 -4.123 1.00 79.82 O ATOM 1190 OE2 GLU A1095 -3.018 25.281 -4.335 1.00 84.54 O ATOM 1191 H GLU A1095 -1.496 29.055 -6.937 1.00 0.00 H ATOM 1192 N ASP A1096 1.665 29.961 -6.095 1.00 47.68 N ATOM 1193 CA ASP A1096 3.057 30.415 -6.119 1.00 48.87 C ATOM 1194 C ASP A1096 3.176 31.933 -5.992 1.00 47.89 C ATOM 1195 O ASP A1096 4.173 32.437 -5.471 1.00 45.39 O ATOM 1196 CB ASP A1096 3.766 29.914 -7.381 1.00 49.79 C ATOM 1197 CG ASP A1096 4.017 28.418 -7.349 1.00 53.06 C ATOM 1198 OD1 ASP A1096 4.121 27.854 -6.244 1.00 53.14 O ATOM 1199 OD2 ASP A1096 4.115 27.804 -8.425 1.00 56.92 O ATOM 1200 H ASP A1096 1.210 29.669 -6.983 1.00 0.00 H ATOM 1201 N PHE A1097 2.162 32.662 -6.450 1.00 45.55 N ATOM 1202 CA PHE A1097 2.124 34.104 -6.257 1.00 45.23 C ATOM 1203 C PHE A1097 1.953 34.418 -4.763 1.00 44.64 C ATOM 1204 O PHE A1097 2.683 35.243 -4.205 1.00 46.16 O ATOM 1205 CB PHE A1097 1.003 34.751 -7.084 1.00 44.72 C ATOM 1206 CG PHE A1097 0.927 36.240 -6.914 1.00 43.54 C ATOM 1207 CD1 PHE A1097 1.731 37.078 -7.677 1.00 46.85 C ATOM 1208 CD2 PHE A1097 0.088 36.801 -5.967 1.00 44.47 C ATOM 1209 CE1 PHE A1097 1.683 38.448 -7.510 1.00 46.14 C ATOM 1210 CE2 PHE A1097 0.041 38.171 -5.794 1.00 44.11 C ATOM 1211 CZ PHE A1097 0.842 38.992 -6.564 1.00 43.18 C ATOM 1212 H PHE A1097 1.383 32.193 -6.955 1.00 0.00 H ATOM 1213 N GLU A1098 1.003 33.743 -4.123 1.00 45.10 N ATOM 1214 CA GLU A1098 0.782 33.910 -2.689 1.00 47.17 C ATOM 1215 C GLU A1098 2.033 33.539 -1.886 1.00 47.91 C ATOM 1216 O GLU A1098 2.382 34.232 -0.937 1.00 48.96 O ATOM 1217 CB GLU A1098 -0.420 33.078 -2.226 1.00 46.97 C ATOM 1218 CG GLU A1098 -0.659 33.051 -0.717 1.00 47.24 C ATOM 1219 CD GLU A1098 -0.917 34.415 -0.089 1.00 51.43 C ATOM 1220 OE1 GLU A1098 -1.111 35.411 -0.818 1.00 50.70 O ATOM 1221 OE2 GLU A1098 -0.951 34.494 1.161 1.00 54.23 O ATOM 1222 H GLU A1098 0.404 33.081 -4.656 1.00 0.00 H ATOM 1223 N GLN A1099 2.700 32.453 -2.272 1.00 46.97 N ATOM 1224 CA GLN A1099 3.933 32.040 -1.595 1.00 49.90 C ATOM 1225 C GLN A1099 5.014 33.110 -1.715 1.00 48.38 C ATOM 1226 O GLN A1099 5.701 33.400 -0.737 1.00 48.91 O ATOM 1227 CB GLN A1099 4.441 30.700 -2.136 1.00 51.41 C ATOM 1228 CG GLN A1099 5.580 30.093 -1.324 1.00 53.68 C ATOM 1229 CD GLN A1099 5.160 29.709 0.085 1.00 57.53 C ATOM 1230 OE1 GLN A1099 4.053 29.215 0.296 1.00 58.28 O ATOM 1231 NE2 GLN A1099 6.043 29.931 1.056 1.00 58.13 N ATOM 1232 HE22 GLN A1099 6.968 30.351 0.832 1.00 0.00 H ATOM 1233 HE21 GLN A1099 5.808 29.685 2.039 1.00 0.00 H ATOM 1234 H GLN A1099 2.340 31.888 -3.068 1.00 0.00 H ATOM 1235 N LEU A1100 5.151 33.715 -2.896 1.00 45.26 N ATOM 1236 CA LEU A1100 6.100 34.812 -3.081 1.00 47.77 C ATOM 1237 C LEU A1100 5.776 35.980 -2.144 1.00 49.87 C ATOM 1238 O LEU A1100 6.669 36.514 -1.485 1.00 47.48 O ATOM 1239 CB LEU A1100 6.122 35.288 -4.538 1.00 46.21 C ATOM 1240 CG LEU A1100 6.997 36.498 -4.888 1.00 49.11 C ATOM 1241 CD1 LEU A1100 8.441 36.303 -4.449 1.00 52.16 C ATOM 1242 CD2 LEU A1100 6.938 36.785 -6.382 1.00 49.39 C ATOM 1243 H LEU A1100 4.572 33.400 -3.700 1.00 0.00 H ATOM 1244 N CYS A1101 4.503 36.367 -2.078 1.00 47.47 N ATOM 1245 CA CYS A1101 4.082 37.456 -1.188 1.00 47.76 C ATOM 1246 C CYS A1101 4.473 37.165 0.254 1.00 47.81 C ATOM 1247 O CYS A1101 5.013 38.030 0.942 1.00 50.29 O ATOM 1248 CB CYS A1101 2.568 37.684 -1.276 1.00 46.37 C ATOM 1249 SG CYS A1101 2.033 38.396 -2.840 1.00 46.60 S ATOM 1250 H CYS A1101 3.793 35.888 -2.669 1.00 0.00 H ATOM 1251 N GLU A1102 4.204 35.942 0.696 1.00 48.56 N ATOM 1252 CA GLU A1102 4.509 35.527 2.057 1.00 52.98 C ATOM 1253 C GLU A1102 6.012 35.574 2.338 1.00 54.82 C ATOM 1254 O GLU A1102 6.431 35.964 3.428 1.00 52.88 O ATOM 1255 CB GLU A1102 3.916 34.135 2.342 1.00 55.00 C ATOM 1256 CG GLU A1102 2.389 34.145 2.428 1.00 60.16 C ATOM 1257 CD GLU A1102 1.761 32.783 2.690 1.00 65.83 C ATOM 1258 OE1 GLU A1102 2.492 31.833 3.036 1.00 67.55 O ATOM 1259 OE2 GLU A1102 0.519 32.661 2.552 1.00 62.72 O ATOM 1260 H GLU A1102 3.761 35.259 0.049 1.00 0.00 H ATOM 1261 N GLU A1103 6.828 35.217 1.349 1.00 54.06 N ATOM 1262 CA GLU A1103 8.275 35.217 1.535 1.00 54.60 C ATOM 1263 C GLU A1103 8.865 36.630 1.496 1.00 55.75 C ATOM 1264 O GLU A1103 9.830 36.900 2.198 1.00 63.60 O ATOM 1265 CB GLU A1103 8.959 34.238 0.562 1.00 51.92 C ATOM 1266 CG GLU A1103 8.628 32.788 0.919 1.00 52.48 C ATOM 1267 CD GLU A1103 9.223 31.739 -0.008 1.00 52.54 C ATOM 1268 OE1 GLU A1103 10.068 32.075 -0.859 1.00 51.00 O ATOM 1269 OE2 GLU A1103 8.832 30.554 0.120 1.00 52.70 O ATOM 1270 H GLU A1103 6.429 34.934 0.431 1.00 0.00 H ATOM 1271 N ILE A1104 8.271 37.541 0.729 1.00 52.27 N ATOM 1272 CA ILE A1104 8.687 38.943 0.776 1.00 56.98 C ATOM 1273 C ILE A1104 8.296 39.527 2.142 1.00 62.04 C ATOM 1274 O ILE A1104 9.127 40.125 2.818 1.00 64.77 O ATOM 1275 CB ILE A1104 8.074 39.796 -0.355 1.00 56.12 C ATOM 1276 CG1 ILE A1104 8.460 39.244 -1.733 1.00 55.53 C ATOM 1277 CG2 ILE A1104 8.558 41.241 -0.251 1.00 55.59 C ATOM 1278 CD1 ILE A1104 7.599 39.762 -2.868 1.00 56.83 C ATOM 1279 H ILE A1104 7.503 37.253 0.089 1.00 0.00 H ATOM 1280 N GLN A1105 7.040 39.327 2.543 1.00 62.61 N ATOM 1281 CA GLN A1105 6.536 39.786 3.849 1.00 65.63 C ATOM 1282 C GLN A1105 7.428 39.318 5.000 1.00 66.62 C ATOM 1283 O GLN A1105 7.828 40.115 5.849 1.00 66.47 O ATOM 1284 CB GLN A1105 5.107 39.278 4.084 1.00 63.76 C ATOM 1285 CG GLN A1105 4.470 39.754 5.389 1.00 65.59 C ATOM 1286 CD GLN A1105 3.192 39.005 5.739 1.00 69.96 C ATOM 1287 OE1 GLN A1105 3.138 37.778 5.660 1.00 72.42 O ATOM 1288 NE2 GLN A1105 2.160 39.741 6.146 1.00 70.80 N ATOM 1289 HE22 GLN A1105 2.248 40.776 6.198 1.00 0.00 H ATOM 1290 HE21 GLN A1105 1.266 39.281 6.412 1.00 0.00 H ATOM 1291 H GLN A1105 6.388 38.825 1.906 1.00 0.00 H ATOM 1292 N GLU A1106 7.731 38.023 5.016 1.00 70.04 N ATOM 1293 CA GLU A1106 8.550 37.421 6.073 1.00 73.47 C ATOM 1294 C GLU A1106 10.016 37.882 6.053 1.00 76.19 C ATOM 1295 O GLU A1106 10.715 37.761 7.061 1.00 75.82 O ATOM 1296 CB GLU A1106 8.467 35.889 6.000 1.00 76.01 C ATOM 1297 CG GLU A1106 7.113 35.339 6.440 1.00 80.35 C ATOM 1298 CD GLU A1106 6.863 33.896 6.020 1.00 87.64 C ATOM 1299 OE1 GLU A1106 7.697 33.305 5.300 1.00 87.37 O ATOM 1300 OE2 GLU A1106 5.811 33.347 6.413 1.00 93.19 O ATOM 1301 H GLU A1106 7.374 37.415 4.251 1.00 0.00 H ATOM 1302 N SER A1107 10.476 38.413 4.919 1.00 75.25 N ATOM 1303 CA SER A1107 11.826 38.980 4.814 1.00 80.15 C ATOM 1304 C SER A1107 11.930 40.416 5.349 1.00 84.47 C ATOM 1305 O SER A1107 13.019 40.989 5.354 1.00 86.98 O ATOM 1306 CB SER A1107 12.310 38.954 3.359 1.00 75.31 C ATOM 1307 OG SER A1107 11.735 40.007 2.604 1.00 74.66 O ATOM 1308 HG SER A1107 12.066 39.963 1.672 1.00 0.00 H ATOM 1309 H SER A1107 9.858 38.426 4.082 1.00 0.00 H ATOM 1310 N ARG A1108 10.808 40.995 5.779 1.00 89.42 N ATOM 1311 CA ARG A1108 10.784 42.361 6.306 1.00 95.31 C ATOM 1312 C ARG A1108 10.393 42.373 7.778 1.00 98.49 C ATOM 1313 O ARG A1108 9.704 41.476 8.268 1.00100.59 O ATOM 1314 CB ARG A1108 9.807 43.219 5.501 1.00 93.15 C ATOM 1315 CG ARG A1108 10.084 43.174 4.010 1.00 93.22 C ATOM 1316 CD ARG A1108 9.247 44.159 3.217 1.00 88.34 C ATOM 1317 NE ARG A1108 9.676 44.180 1.820 1.00 82.35 N ATOM 1318 CZ ARG A1108 9.114 44.906 0.858 1.00 78.58 C ATOM 1319 NH1 ARG A1108 9.596 44.842 -0.378 1.00 77.59 N ATOM 1320 NH2 ARG A1108 8.074 45.694 1.117 1.00 82.84 N ATOM 1321 OXT ARG A1108 10.764 43.291 8.507 1.00101.73 O ATOM 1322 HE ARG A1108 10.484 43.580 1.558 1.00 0.00 H ATOM 1323 HH12 ARG A1108 9.162 45.407 -1.135 1.00 0.00 H ATOM 1324 HH11 ARG A1108 10.408 44.227 -0.588 1.00 0.00 H ATOM 1325 HH22 ARG A1108 7.645 46.256 0.354 1.00 0.00 H ATOM 1326 HH21 ARG A1108 7.690 45.748 2.082 1.00 0.00 H ATOM 1327 H ARG A1108 9.919 40.457 5.739 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 -8.416 34.153 8.445 1.00 66.57 O HETATM 1330 O HOH 2 -0.272 42.043 5.340 1.00 57.20 O HETATM 1331 O HOH 3 -2.345 48.100 -7.910 1.00 65.99 O HETATM 1332 O HOH 4 -29.838 39.606 17.816 1.00 64.78 O HETATM 1333 O HOH 5 -2.442 51.263 -13.136 1.00 58.68 O HETATM 1334 O HOH 6 11.654 35.486 3.230 1.00 64.07 O HETATM 1335 O HOH 7 -29.503 44.148 2.000 1.00 70.61 O HETATM 1336 O HOH 8 -37.277 29.179 13.721 1.00 50.91 O HETATM 1337 O HOH 9 12.587 39.906 0.188 1.00 60.86 O HETATM 1338 O HOH 10 -21.690 42.523 11.939 1.00 48.74 O HETATM 1339 O HOH 11 -12.695 53.533 4.637 1.00 65.50 O HETATM 1340 O HOH 12 11.996 43.355 0.999 1.00 78.82 O HETATM 1341 O HOH 13 -18.187 44.714 11.287 1.00 51.56 O HETATM 1342 O HOH 14 -8.759 54.208 -0.674 1.00 57.06 O HETATM 1343 O HOH 15 -8.097 44.156 10.796 1.00 59.89 O HETATM 1344 O HOH 16 -14.139 43.012 -10.063 1.00 62.87 O HETATM 1345 O HOH 17 8.084 46.701 -1.466 1.00 81.47 O HETATM 1346 O HOH 18 -20.596 39.963 -8.037 1.00 56.60 O HETATM 1347 O HOH 19 -8.365 45.752 -9.422 1.00 41.14 O HETATM 1348 O HOH 20 -9.499 52.294 -4.649 1.00 63.91 O HETATM 1349 O HOH 21 -19.637 44.405 8.187 1.00 52.02 O HETATM 1350 O HOH 22 -14.227 32.379 -9.944 1.00 61.49 O HETATM 1351 O HOH 23 -16.546 48.655 9.768 1.00 61.55 O HETATM 1352 O HOH 24 -21.587 33.300 -4.326 1.00 58.91 O HETATM 1353 O HOH 25 -10.273 37.184 11.413 1.00 48.92 O HETATM 1354 O HOH 26 -5.039 38.339 -11.021 1.00 44.11 O HETATM 1355 O HOH 27 -16.993 35.426 -9.456 1.00 67.95 O HETATM 1356 O HOH 28 -21.672 48.189 -3.830 1.00 60.52 O HETATM 1357 O HOH 29 -27.535 34.515 1.526 1.00 50.50 O HETATM 1358 O HOH 30 -6.214 34.248 6.831 1.00 59.49 O HETATM 1359 O HOH 31 -15.550 38.732 15.414 1.00 52.38 O HETATM 1360 O HOH 32 11.418 47.597 -2.399 1.00 78.15 O HETATM 1361 O HOH 33 3.404 50.651 -5.985 1.00 79.49 O HETATM 1362 O HOH 34 -9.068 39.354 -9.085 1.00 59.48 O HETATM 1363 O HOH 35 -28.571 41.197 5.839 1.00 68.64 O HETATM 1364 O HOH 36 9.558 28.994 2.220 1.00 64.53 O HETATM 1365 O HOH 37 -23.049 50.513 -0.258 1.00 79.58 O HETATM 1366 O HOH 38 -29.321 33.667 20.737 1.00 71.05 O HETATM 1367 O HOH 39 -34.232 34.418 7.645 1.00 51.99 O HETATM 1368 O HOH 40 -23.900 44.900 -2.409 1.00 50.88 O HETATM 1369 O HOH 41 4.289 27.662 -3.514 1.00 61.11 O HETATM 1370 O HOH 42 -15.670 49.030 18.361 1.00 64.29 O HETATM 1371 O HOH 43 5.582 38.972 -8.998 1.00 63.11 O HETATM 1372 O HOH 44 -29.641 43.856 -0.883 1.00 66.32 O HETATM 1373 O HOH 45 -16.748 31.574 10.121 1.00 89.85 O HETATM 1374 O HOH 46 -23.844 32.991 15.954 1.00 63.34 O HETATM 1375 O HOH 47 -13.283 52.669 0.584 1.00 57.84 O HETATM 1376 O HOH 48 -15.568 28.560 -0.353 1.00 50.30 O HETATM 1377 O HOH 49 0.368 36.343 5.866 1.00 55.60 O HETATM 1378 O HOH 50 7.275 51.029 -6.918 1.00 94.93 O HETATM 1379 O HOH 51 0.284 29.322 -1.537 1.00 69.16 O HETATM 1380 O HOH 52 -38.615 31.953 11.645 1.00 49.18 O HETATM 1381 O HOH 53 -30.512 30.074 14.996 1.00 62.27 O HETATM 1382 O HOH 54 -13.700 47.345 25.113 1.00 72.07 O HETATM 1383 O HOH 55 -12.917 48.911 9.972 1.00 67.46 O HETATM 1384 O HOH 56 -13.177 27.676 -5.969 1.00 60.82 O HETATM 1385 O HOH 57 -2.046 27.698 -7.876 1.00 59.56 O HETATM 1386 O HOH 58 -26.599 32.936 -0.628 1.00 54.47 O HETATM 1387 O HOH 59 -12.534 36.413 12.611 1.00 56.80 O HETATM 1388 O HOH 60 -20.276 42.075 9.646 1.00 47.98 O HETATM 1389 O HOH 61 -4.379 44.845 9.286 1.00 73.81 O HETATM 1390 O HOH 62 -0.181 45.824 7.584 1.00 74.69 O HETATM 1391 O HOH 63 -24.378 30.789 3.568 1.00 58.33 O HETATM 1392 O HOH 64 -5.537 28.749 -5.380 1.00 72.35 O HETATM 1393 O HOH 65 -22.263 29.842 1.349 1.00 77.17 O HETATM 1394 O HOH 66 -21.273 46.395 7.710 1.00 60.88 O HETATM 1395 O HOH 67 -6.204 35.907 -11.222 1.00 49.01 O HETATM 1396 O HOH 68 -18.558 42.132 23.225 1.00 86.60 O HETATM 1397 O HOH 69 -12.114 41.050 17.055 1.00 63.62 O HETATM 1398 O HOH 70 -11.816 48.222 13.027 1.00 69.75 O HETATM 1399 O HOH 71 -5.296 41.516 8.297 1.00 63.32 O HETATM 1400 O HOH 72 -1.120 31.913 -12.814 1.00 65.14 O HETATM 1401 O HOH 73 -16.685 36.816 17.392 1.00 80.73 O HETATM 1402 O HOH 74 -14.571 42.225 16.489 1.00 48.27 O HETATM 1403 O HOH 75 -9.401 29.816 -0.707 1.00 59.76 O HETATM 1404 O HOH 76 -1.395 34.527 -11.386 1.00 82.56 O HETATM 1405 O HOH 77 0.034 44.257 -1.596 1.00 75.61 O HETATM 1406 O HOH 78 -24.514 48.045 7.265 1.00 77.21 O HETATM 1407 O HOH 79 -7.673 47.767 10.470 1.00 59.42 O HETATM 1408 O HOH 80 -18.116 34.853 15.750 1.00 66.63 O HETATM 1409 O HOH 81 -27.148 42.628 2.487 1.00 49.95 O HETATM 1410 O HOH 82 10.340 33.165 4.270 1.00 71.22 O HETATM 1411 O HOH 83 -35.886 32.248 11.665 1.00 53.81 O HETATM 1412 O HOH 84 -12.683 31.808 -11.640 1.00 71.29 O HETATM 1413 O HOH 85 2.960 42.359 6.961 1.00 77.34 O HETATM 1414 O HOH 86 -23.602 48.499 4.425 1.00 72.78 O HETATM 1415 O HOH 87 3.969 48.296 -4.441 1.00 58.82 O HETATM 1416 O HOH 88 -0.803 54.220 0.352 1.00 71.53 O HETATM 1417 O HOH 89 -15.304 28.394 2.553 1.00 81.03 O HETATM 1418 O HOH 90 -1.337 38.644 -13.815 1.00 44.62 O HETATM 1419 O HOH 91 7.396 42.519 -12.486 1.00 77.83 O HETATM 1420 O HOH 92 -29.781 30.975 17.595 1.00 72.23 O HETATM 1421 O HOH 93 -26.838 37.971 -5.763 1.00 75.19 O HETATM 1422 O HOH 94 -15.039 33.845 9.917 1.00 71.02 O HETATM 1423 O HOH 95 -9.045 27.651 -11.761 1.00 75.20 O HETATM 1424 O HOH 96 -33.223 42.490 6.860 1.00 76.94 O HETATM 1425 O HOH 97 -15.034 52.670 5.696 1.00 75.47 O HETATM 1426 O HOH 98 -18.237 30.286 6.017 1.00 74.21 O HETATM 1427 O HOH 99 -31.274 40.967 8.155 1.00 74.25 O HETATM 1428 O HOH 100 -2.659 46.177 0.556 1.00 45.35 O HETATM 1429 O HOH 101 -14.922 26.523 -13.012 1.00 76.79 O HETATM 1430 O HOH 102 -2.932 43.187 7.570 1.00 73.91 O HETATM 1431 O HOH 103 -26.290 40.753 -7.149 1.00 58.75 O HETATM 1432 O HOH 104 0.538 46.454 -0.522 1.00 48.26 O HETATM 1433 O HOH 105 -20.178 37.850 -5.465 1.00 62.81 O HETATM 1434 O HOH 106 2.245 28.418 -10.659 1.00 61.82 O HETATM 1435 O HOH 107 15.142 41.369 -2.023 1.00 71.13 O HETATM 1436 O HOH 108 -18.104 48.624 -0.460 1.00 62.19 O HETATM 1437 O HOH 109 -22.887 36.025 20.329 1.00 68.07 O HETATM 1438 O HOH 110 -7.200 54.300 1.660 1.00 56.07 O HETATM 1439 O HOH 111 1.395 30.443 0.683 1.00 72.86 O HETATM 1440 O HOH 112 -25.991 31.497 16.829 1.00 70.62 O HETATM 1441 O HOH 113 2.554 47.128 -11.533 1.00 70.88 O HETATM 1442 O HOH 114 -25.086 46.225 -6.368 1.00 76.25 O HETATM 1443 O HOH 115 -9.295 55.561 2.818 1.00 63.89 O HETATM 1444 O HOH 116 -17.877 37.769 -9.789 1.00 58.62 O HETATM 1445 O HOH 117 -7.232 32.135 5.545 1.00 63.06 O HETATM 1446 O HOH 118 -11.488 49.021 16.432 1.00 73.46 O HETATM 1447 O HOH 119 -0.037 52.617 5.625 1.00 74.92 O HETATM 1448 O HOH 120 -15.899 41.762 19.049 1.00 58.11 O HETATM 1449 O HOH 121 4.761 48.238 -1.978 1.00 71.16 O HETATM 1450 O HOH 122 -23.479 31.155 -2.879 1.00 78.89 O HETATM 1451 O HOH 123 -2.188 51.900 -3.591 1.00 68.87 O HETATM 1452 O HOH 124 -28.689 38.653 21.091 1.00 73.86 O HETATM 1453 O HOH 125 -15.529 48.146 -5.340 1.00 70.92 O HETATM 1454 O HOH 126 -0.774 51.486 11.482 1.00 70.36 O HETATM 1455 O HOH 127 -3.602 33.552 -15.353 1.00 80.08 O HETATM 1456 O HOH 128 6.870 46.116 3.882 1.00 87.53 O HETATM 1457 O HOH 129 -17.053 32.345 -5.536 1.00 70.52 O HETATM 1458 O HOH 130 -28.397 42.023 18.248 1.00 75.91 O HETATM 1459 O HOH 131 -34.867 35.764 18.171 1.00 70.07 O HETATM 1460 O HOH 132 -19.080 48.246 10.866 1.00 71.40 O HETATM 1461 O HOH 133 7.744 40.513 -9.807 1.00 76.53 O HETATM 1462 O HOH 134 -3.193 54.342 -2.818 1.00 67.74 O HETATM 1463 O HOH 135 15.505 47.157 -7.194 1.00 82.75 O HETATM 1464 O HOH 136 -8.337 40.570 18.239 1.00 79.83 O HETATM 1465 O HOH 137 4.549 50.297 1.165 1.00 84.19 O HETATM 1466 O HOH 138 -15.501 28.310 -7.598 1.00 73.13 O HETATM 1467 O HOH 139 -15.373 31.259 -7.615 1.00 77.10 O HETATM 1468 O HOH 140 -21.257 31.238 -1.097 1.00 71.15 O HETATM 1469 O HOH 141 -15.785 48.054 -1.525 1.00 62.05 O HETATM 1470 O HOH 142 -32.627 32.961 20.049 1.00 66.62 O HETATM 1471 O HOH 143 -15.315 31.489 -12.501 1.00 73.31 O HETATM 1472 O HOH 144 -6.656 34.166 -12.738 1.00 69.42 O HETATM 1473 O HOH 145 -25.906 32.480 -5.310 1.00 80.62 O HETATM 1474 O HOH 146 -13.531 29.189 4.608 1.00 82.68 O HETATM 1475 O HOH 147 -22.169 33.483 18.406 1.00 84.70 O HETATM 1476 O HOH 148 0.856 48.791 7.955 1.00 77.21 O HETATM 1477 O HOH 149 -20.402 39.997 23.113 1.00 81.64 O HETATM 1478 O HOH 150 -19.211 29.781 -2.385 1.00 68.57 O HETATM 1479 O HOH 151 -28.702 46.871 3.203 1.00 79.87 O HETATM 1480 O HOH 152 -11.402 54.260 -0.513 1.00 67.78 O HETATM 1481 O HOH 153 -11.086 46.622 -9.196 1.00 54.47 O HETATM 1482 O HOH 154 3.245 47.059 0.025 1.00 56.87 O HETATM 1483 O HOH 155 -13.483 27.452 -1.500 1.00 54.01 O HETATM 1484 O HOH 156 -9.035 34.711 11.069 1.00 59.75 O HETATM 1485 O HOH 157 -4.972 55.455 0.469 1.00 56.31 O HETATM 1486 O HOH 158 8.000 26.767 1.919 1.00 76.34 O HETATM 1487 O HOH 159 4.934 47.604 2.163 1.00 87.31 O HETATM 1488 O HOH 160 -6.862 29.261 -1.956 1.00 70.42 O HETATM 1489 O HOH 161 -19.011 50.083 13.109 1.00 82.21 O HETATM 1490 O HOH 162 -9.774 51.263 7.500 1.00 76.99 O HETATM 1491 O HOH 163 -10.923 41.122 19.405 1.00 65.66 O HETATM 1492 O HOH 164 -25.182 30.726 -0.038 1.00 66.09 O HETATM 1493 O HOH 165 -8.846 39.080 13.006 1.00 70.24 O HETATM 1494 O HOH 166 10.060 30.192 4.626 1.00 68.69 O HETATM 1495 O HOH 167 -6.967 40.353 -10.622 1.00 44.45 O HETATM 1496 O HOH 168 -11.447 25.913 -7.420 1.00 68.77 O HETATM 1497 O HOH 169 -15.020 51.570 -1.594 1.00 69.09 O HETATM 1498 O HOH 170 -20.962 34.294 -6.861 1.00 83.27 O HETATM 1499 O HOH 171 -14.040 50.595 16.764 1.00 75.97 O HETATM 1500 O HOH 172 -23.173 30.877 14.153 1.00 77.85 O HETATM 1501 O HOH 173 -16.084 40.773 23.506 1.00 80.25 O HETATM 1502 O HOH 174 -24.934 29.022 5.910 1.00 82.03 O HETATM 1503 O HOH 175 -17.878 27.423 -1.527 1.00 69.40 O HETATM 1504 O HOH 176 -11.002 27.304 -0.124 1.00 67.03 O HETATM 1505 O HOH 177 -14.353 40.521 21.098 1.00 84.16 O HETATM 1506 O HOH 178 -14.142 26.400 -3.933 1.00 58.92 O HETATM 1507 O HOH 179 -12.915 33.573 12.049 1.00 73.37 O HETATM 1508 O HOH 180 -12.943 38.560 16.482 1.00 65.16 O HETATM 1509 O HOH 181 -25.899 46.411 -3.565 1.00 65.18 O HETATM 1510 O HOH 182 -18.876 30.446 -4.842 1.00 67.66 O HETATM 1511 O HOH 183 -2.573 29.921 -1.998 1.00 62.13 O HETATM 1512 O HOH 184 -41.590 35.021 17.700 1.00 74.68 O HETATM 1513 O HOH 185 -34.766 32.095 9.130 1.00 54.52 O HETATM 1514 O HOH 186 -2.723 56.673 1.125 1.00 66.15 O HETATM 1515 O HOH 187 -15.913 51.270 11.171 1.00 83.18 O HETATM 1516 O HOH 188 -19.669 49.710 -2.333 1.00 74.36 O HETATM 1517 O HOH 189 -18.931 36.328 -7.409 1.00 67.95 O HETATM 1518 O HOH 190 -16.830 32.824 14.226 1.00 75.62 O HETATM 1519 O HOH 191 -18.223 33.678 -7.481 1.00 66.17 O HETATM 1520 O HOH 192 -13.850 32.546 14.685 1.00 84.07 O HETATM 1521 O HOH 193 -5.035 31.322 -0.098 1.00 78.35 O HETATM 1522 O HOH 194 -8.578 27.808 3.116 1.00 82.05 O HETATM 1523 O HOH 195 -15.822 51.870 14.897 1.00 72.50 O HETATM 1524 O HOH 196 -16.844 26.184 -3.880 1.00 70.41 O HETATM 1525 O HOH 197 -17.976 27.852 -5.900 1.00 77.45 O HETATM 1526 O HOH 198 -13.873 51.883 -4.296 1.00 78.68 O HETATM 1527 N1 FZB A 199 -28.939 43.524 13.348 1.00 -0.31 N HETATM 1528 C6 FZB A 199 -30.187 43.476 14.106 1.00 0.05 C HETATM 1529 C5 FZB A 199 -29.956 43.042 15.551 1.00 0.01 C HETATM 1530 C4 FZB A 199 -31.272 42.668 16.242 1.00 -0.02 C HETATM 1531 C3 FZB A 199 -32.327 43.771 16.139 1.00 -0.00 C HETATM 1532 C2 FZB A 199 -33.080 43.447 14.835 1.00 -0.00 C HETATM 1533 C1 FZB A 199 -32.372 42.202 14.299 1.00 -0.02 C HETATM 1534 C7 FZB A 199 -31.173 42.541 13.405 1.00 0.01 C HETATM 1535 H7 FZB A 199 -30.652 41.609 13.139 1.00 0.03 H HETATM 1536 H8 FZB A 199 -31.538 43.030 12.490 1.00 0.03 H HETATM 1537 N FZB A 199 -31.849 41.527 15.504 1.00 0.24 N HETATM 1538 C FZB A 199 -32.862 40.792 16.265 1.00 -0.04 C HETATM 1539 H21 FZB A 199 -32.392 40.322 17.141 1.00 0.08 H HETATM 1540 H22 FZB A 199 -33.308 40.015 15.627 1.00 0.08 H HETATM 1541 H23 FZB A 199 -33.646 41.487 16.598 1.00 0.08 H HETATM 1542 H20 FZB A 199 -31.124 40.875 15.249 1.00 0.20 H HETATM 1543 H15 FZB A 199 -33.079 41.562 13.751 1.00 0.09 H HETATM 1544 H18 FZB A 199 -34.141 43.237 15.038 1.00 0.03 H HETATM 1545 H19 FZB A 199 -33.001 44.280 14.121 1.00 0.03 H HETATM 1546 H16 FZB A 199 -31.852 44.762 16.080 1.00 0.03 H HETATM 1547 H17 FZB A 199 -33.009 43.742 17.002 1.00 0.03 H HETATM 1548 H3 FZB A 199 -31.083 42.414 17.296 1.00 0.09 H HETATM 1549 H4 FZB A 199 -29.287 42.169 15.559 1.00 0.03 H HETATM 1550 H5 FZB A 199 -29.485 43.870 16.102 1.00 0.03 H HETATM 1551 H6 FZB A 199 -30.619 44.487 14.121 1.00 0.06 H HETATM 1552 C8 FZB A 199 -28.617 44.449 12.421 1.00 0.14 C HETATM 1553 C16 FZB A 199 -27.347 44.544 11.778 1.00 0.13 C HETATM 1554 N3 FZB A 199 -26.315 43.669 12.073 1.00 -0.23 N HETATM 1555 C15 FZB A 199 -25.082 43.648 11.514 1.00 0.22 C HETATM 1556 C13 FZB A 199 -24.824 44.653 10.503 1.00 0.03 C HETATM 1557 C14 FZB A 199 -23.480 44.662 9.823 1.00 -0.02 C HETATM 1558 H10 FZB A 199 -23.446 45.480 9.088 1.00 0.04 H HETATM 1559 H11 FZB A 199 -23.322 43.702 9.310 1.00 0.04 H HETATM 1560 H12 FZB A 199 -22.690 44.811 10.574 1.00 0.04 H HETATM 1561 C12 FZB A 199 -25.808 45.535 10.196 1.00 -0.04 C HETATM 1562 C11 FZB A 199 -27.105 45.527 10.810 1.00 0.00 C HETATM 1563 C10 FZB A 199 -28.125 46.426 10.487 1.00 -0.06 C HETATM 1564 C9 FZB A 199 -29.326 46.278 11.150 1.00 -0.02 C HETATM 1565 N2 FZB A 199 -29.574 45.338 12.074 1.00 -0.30 N HETATM 1566 H14 FZB A 199 -30.125 46.970 10.907 1.00 0.06 H HETATM 1567 H9 FZB A 199 -27.979 47.206 9.748 1.00 0.05 H HETATM 1568 H13 FZB A 199 -25.602 46.292 9.441 1.00 0.06 H HETATM 1569 O FZB A 199 -24.280 42.792 11.870 1.00 -0.40 O HETATM 1570 H2 FZB A 199 -26.500 42.980 12.773 1.00 0.24 H HETATM 1571 H1 FZB A 199 -28.245 42.787 13.538 1.00 0.18 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1527 1528 1552 1571 CONECT 1528 1527 1529 1534 1551 CONECT 1529 1528 1530 1549 1550 CONECT 1530 1529 1531 1537 1548 CONECT 1531 1530 1532 1546 1547 CONECT 1532 1531 1533 1544 1545 CONECT 1533 1532 1534 1537 1543 CONECT 1534 1528 1533 1535 1536 CONECT 1535 1534 CONECT 1536 1534 CONECT 1537 1530 1533 1538 1542 CONECT 1538 1537 1539 1540 1541 CONECT 1539 1538 CONECT 1540 1538 CONECT 1541 1538 CONECT 1542 1537 CONECT 1543 1533 CONECT 1544 1532 CONECT 1545 1532 CONECT 1546 1531 CONECT 1547 1531 CONECT 1548 1530 CONECT 1549 1529 CONECT 1550 1529 CONECT 1551 1528 CONECT 1552 1527 1553 1565 CONECT 1553 1552 1554 1562 CONECT 1554 1553 1555 1570 CONECT 1555 1554 1556 1569 CONECT 1556 1555 1557 1561 CONECT 1557 1556 1558 1559 1560 CONECT 1558 1557 CONECT 1559 1557 CONECT 1560 1557 CONECT 1561 1556 1562 1568 CONECT 1562 1553 1561 1563 CONECT 1563 1562 1564 1567 CONECT 1564 1563 1565 1566 CONECT 1565 1552 1564 CONECT 1566 1564 CONECT 1567 1563 CONECT 1568 1561 CONECT 1569 1555 CONECT 1570 1554 CONECT 1571 1527 MASTER 0 0 0 0 0 0 0 0 1570 1 49 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
6hdn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATAD2
Ligand Name
FZB
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=50.12uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 8321-8336
Ligand Properties
Formula
C
1
7
H
2
3
N
4
O
Molecular Weight
299.391
Exact Mass
299.187
No. of atoms
45
No. of bonds
48
Polar Surface Area
62.22
LOGP Value
2.17 (
Computed with XLOGP3
)
2.49 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](C2)Nc1nccc2c1[nH]c(=O)c(c2)C
InChI String
InChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/p+1/t12-,13-,14+
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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