Browse entries in the PDBbind-CN Database
HEADER 6CVW_COMPLEX COMPND 6CVW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 62 SER HIS MET ALA SER MET LYS LYS LYS GLY SER VAL VAL SEQRES 2 A 62 ILE VAL GLY ARG ILE ASN LEU SER GLY ASP THR ALA TYR SEQRES 3 A 62 ALA GLN GLN THR ARG GLY GLU GLU GLY CYS GLN GLU THR SEQRES 4 A 62 SER GLN THR GLY ARG ASP LYS ASN GLN VAL GLU GLY GLU SEQRES 5 A 62 VAL GLN ILE VAL SER THR ALA THR GLN THR SEQRES 1 A 80 PHE LEU ALA THR SER ILE ASN GLY VAL LEU TRP THR VAL SEQRES 2 A 80 TYR HIS GLY ALA GLY THR ARG THR ILE ALA SER PRO LYS SEQRES 3 A 80 GLY PRO VAL THR GLN MET TYR THR ASN VAL ASP LYS ASP SEQRES 4 A 80 LEU VAL GLY TRP GLN ALA PRO GLN GLY SER ARG SER LEU SEQRES 5 A 80 THR PRO CYS THR CYS GLY SER SER ASP LEU TYR LEU VAL SEQRES 6 A 80 THR ARG HIS ALA ASP VAL ILE PRO VAL ARG ARG ARG GLY SEQRES 7 A 80 ASP SER SEQRES 1 A 57 ARG GLY SER LEU LEU SER PRO ARG PRO ILE SER TYR LEU SEQRES 2 A 57 LYS GLY SER SER GLY GLY PRO LEU LEU CYS PRO ALA GLY SEQRES 3 A 57 HIS ALA VAL GLY ILE PHE ARG ALA ALA VAL CYS THR ARG SEQRES 4 A 57 GLY VAL ALA LYS ALA VAL ASP PHE ILE PRO VAL GLU SER SEQRES 5 A 57 LEU GLU THR THR MET HET ZN A 1 1 HET FH A 1 103 ATOM 1 N SER A 981 3.294 -25.887 -6.666 1.00 22.44 N ATOM 2 CA SER A 981 4.062 -27.123 -6.849 1.00 24.64 C ATOM 3 C SER A 981 5.562 -26.874 -6.982 1.00 20.35 C ATOM 4 O SER A 981 6.328 -27.832 -7.042 1.00 26.35 O ATOM 5 CB SER A 981 3.619 -27.887 -8.093 1.00 29.62 C ATOM 6 OG SER A 981 4.105 -27.231 -9.265 1.00 36.71 O ATOM 7 HG SER A 981 5.094 -27.197 -9.237 1.00 0.00 H ATOM 8 HN3 SER A 981 3.442 -25.264 -7.486 1.00 0.00 H ATOM 9 HN2 SER A 981 3.614 -25.406 -5.801 1.00 0.00 H ATOM 10 HN1 SER A 981 2.283 -26.118 -6.582 1.00 0.00 H ATOM 11 N HIS A 982 5.974 -25.612 -7.077 1.00 17.21 N ATOM 12 CA HIS A 982 7.393 -25.274 -7.189 1.00 21.74 C ATOM 13 C HIS A 982 7.890 -24.777 -5.834 1.00 21.51 C ATOM 14 O HIS A 982 7.833 -23.583 -5.527 1.00 17.79 O ATOM 15 CB HIS A 982 7.645 -24.237 -8.274 1.00 26.04 C ATOM 16 CG HIS A 982 9.111 -23.990 -8.500 1.00 26.19 C ATOM 17 ND1 HIS A 982 9.750 -22.841 -8.088 1.00 23.82 N ATOM 18 CD2 HIS A 982 10.076 -24.779 -9.033 1.00 30.20 C ATOM 19 CE1 HIS A 982 11.033 -22.918 -8.382 1.00 19.02 C ATOM 20 NE2 HIS A 982 11.260 -24.084 -8.959 1.00 22.04 N ATOM 21 H HIS A 982 5.270 -24.847 -7.071 1.00 0.00 H ATOM 22 N MET A 983 8.444 -25.699 -5.038 1.00 15.70 N ATOM 23 CA MET A 983 8.768 -25.383 -3.658 1.00 19.19 C ATOM 24 C MET A 983 9.884 -24.350 -3.570 1.00 15.64 C ATOM 25 O MET A 983 9.862 -23.485 -2.690 1.00 26.07 O ATOM 26 CB MET A 983 9.160 -26.652 -2.897 1.00 34.11 C ATOM 27 CG MET A 983 7.998 -27.570 -2.524 1.00 21.50 C ATOM 28 SD MET A 983 6.591 -26.809 -1.653 1.00 26.41 S ATOM 29 CE MET A 983 5.457 -26.686 -3.040 1.00 29.83 C ATOM 30 H MET A 983 8.644 -26.649 -5.410 1.00 0.00 H ATOM 31 N ALA A 984 10.847 -24.395 -4.487 1.00 18.31 N ATOM 32 CA ALA A 984 11.978 -23.479 -4.386 1.00 16.07 C ATOM 33 C ALA A 984 11.575 -22.013 -4.447 1.00 16.38 C ATOM 34 O ALA A 984 12.340 -21.168 -3.981 1.00 27.25 O ATOM 35 CB ALA A 984 12.993 -23.762 -5.485 1.00 18.25 C ATOM 36 H ALA A 984 10.794 -25.078 -5.270 1.00 0.00 H ATOM 37 N SER A 985 10.415 -21.673 -5.004 1.00 15.04 N ATOM 38 CA SER A 985 9.988 -20.273 -5.087 1.00 23.14 C ATOM 39 C SER A 985 8.814 -19.972 -4.171 1.00 24.41 C ATOM 40 O SER A 985 8.262 -18.862 -4.218 1.00 20.40 O ATOM 41 CB SER A 985 9.612 -19.908 -6.523 1.00 25.55 C ATOM 42 OG SER A 985 8.609 -20.779 -6.984 1.00 21.51 O ATOM 43 HG SER A 985 8.944 -21.710 -6.958 1.00 0.00 H ATOM 44 H SER A 985 9.798 -22.417 -5.389 1.00 0.00 H ATOM 45 N MET A 986 8.416 -20.931 -3.331 1.00 20.32 N ATOM 46 CA MET A 986 7.344 -20.658 -2.389 1.00 18.04 C ATOM 47 C MET A 986 7.807 -19.604 -1.393 1.00 19.91 C ATOM 48 O MET A 986 8.943 -19.631 -0.894 1.00 22.73 O ATOM 49 CB MET A 986 6.905 -21.945 -1.675 1.00 15.97 C ATOM 50 CG MET A 986 6.088 -22.876 -2.603 1.00 19.99 C ATOM 51 SD MET A 986 4.401 -22.326 -2.965 1.00 22.01 S ATOM 52 CE MET A 986 3.598 -22.758 -1.413 1.00 21.27 C ATOM 53 H MET A 986 8.870 -21.866 -3.351 1.00 0.00 H ATOM 54 N LYS A 987 6.932 -18.650 -1.141 1.00 22.02 N ATOM 55 CA LYS A 987 7.227 -17.559 -0.240 1.00 14.20 C ATOM 56 C LYS A 987 6.940 -17.946 1.220 1.00 20.90 C ATOM 57 O LYS A 987 6.285 -18.949 1.519 1.00 17.57 O ATOM 58 CB LYS A 987 6.392 -16.349 -0.627 1.00 23.25 C ATOM 59 CG LYS A 987 6.658 -15.812 -2.028 1.00 23.76 C ATOM 60 CD LYS A 987 5.644 -14.731 -2.372 1.00 29.37 C ATOM 61 CE LYS A 987 5.613 -14.414 -3.866 1.00 40.88 C ATOM 62 NZ LYS A 987 4.334 -13.708 -4.227 1.00 51.04 N ATOM 63 HZ1 LYS A 987 3.525 -14.318 -3.993 1.00 0.00 H ATOM 64 HZ2 LYS A 987 4.267 -12.820 -3.691 1.00 0.00 H ATOM 65 HZ3 LYS A 987 4.330 -13.500 -5.246 1.00 0.00 H ATOM 66 H LYS A 987 6.002 -18.684 -1.605 1.00 0.00 H ATOM 67 N LYS A 988 7.469 -17.134 2.123 1.00 21.21 N ATOM 68 CA LYS A 988 7.236 -17.246 3.548 1.00 25.00 C ATOM 69 C LYS A 988 6.499 -15.993 3.997 1.00 16.53 C ATOM 70 O LYS A 988 6.820 -14.892 3.545 1.00 16.78 O ATOM 71 CB LYS A 988 8.578 -17.390 4.284 1.00 28.09 C ATOM 72 CG LYS A 988 8.486 -17.554 5.770 1.00 29.19 C ATOM 73 CD LYS A 988 8.060 -18.978 6.146 1.00 26.33 C ATOM 74 CE LYS A 988 7.299 -18.993 7.463 1.00 32.22 C ATOM 75 NZ LYS A 988 7.790 -19.981 8.352 1.00 20.48 N ATOM 76 HZ1 LYS A 988 7.696 -20.919 7.912 1.00 0.00 H ATOM 77 HZ2 LYS A 988 8.792 -19.793 8.559 1.00 0.00 H ATOM 78 HZ3 LYS A 988 7.242 -19.954 9.235 1.00 0.00 H ATOM 79 H LYS A 988 8.089 -16.369 1.788 1.00 0.00 H ATOM 80 N LYS A 989 5.530 -16.143 4.897 1.00 20.32 N ATOM 81 CA LYS A 989 4.891 -14.964 5.462 1.00 18.38 C ATOM 82 C LYS A 989 5.856 -14.311 6.436 1.00 14.77 C ATOM 83 O LYS A 989 6.670 -14.979 7.082 1.00 21.89 O ATOM 84 CB LYS A 989 3.583 -15.314 6.175 1.00 26.12 C ATOM 85 CG LYS A 989 2.399 -15.443 5.193 1.00 19.50 C ATOM 86 CD LYS A 989 1.082 -15.705 5.838 1.00 13.39 C ATOM 87 CE LYS A 989 -0.033 -15.840 4.802 1.00 21.42 C ATOM 88 NZ LYS A 989 -1.412 -15.952 5.400 1.00 24.16 N ATOM 89 HZ1 LYS A 989 -1.456 -16.792 6.012 1.00 0.00 H ATOM 90 HZ2 LYS A 989 -1.615 -15.101 5.962 1.00 0.00 H ATOM 91 HZ3 LYS A 989 -2.113 -16.040 4.637 1.00 0.00 H ATOM 92 H LYS A 989 5.232 -17.094 5.194 1.00 0.00 H ATOM 93 N GLY A 990 5.753 -13.010 6.560 1.00 16.99 N ATOM 94 CA GLY A 990 6.620 -12.317 7.469 1.00 13.26 C ATOM 95 C GLY A 990 6.135 -12.473 8.893 1.00 13.90 C ATOM 96 O GLY A 990 5.117 -13.100 9.190 1.00 15.71 O ATOM 97 H GLY A 990 5.049 -12.485 6.004 1.00 0.00 H ATOM 98 N SER A 991 6.894 -11.879 9.781 1.00 15.15 N ATOM 99 CA SER A 991 6.566 -11.880 11.186 1.00 11.34 C ATOM 100 C SER A 991 5.578 -10.761 11.502 1.00 9.13 C ATOM 101 O SER A 991 5.537 -9.721 10.833 1.00 9.04 O ATOM 102 CB SER A 991 7.830 -11.693 12.002 1.00 10.31 C ATOM 103 OG SER A 991 8.668 -12.846 11.959 1.00 11.15 O ATOM 104 HG SER A 991 9.479 -12.683 12.502 1.00 0.00 H ATOM 105 H SER A 991 7.757 -11.393 9.464 1.00 0.00 H ATOM 106 N VAL A 992 4.850 -10.938 12.607 1.00 6.68 N ATOM 107 CA VAL A 992 4.216 -9.796 13.255 1.00 6.78 C ATOM 108 C VAL A 992 5.304 -8.877 13.796 1.00 8.98 C ATOM 109 O VAL A 992 6.328 -9.351 14.317 1.00 9.07 O ATOM 110 CB VAL A 992 3.288 -10.273 14.384 1.00 6.74 C ATOM 111 CG1 VAL A 992 2.735 -9.101 15.154 1.00 9.41 C ATOM 112 CG2 VAL A 992 2.187 -11.139 13.829 1.00 7.82 C ATOM 113 H VAL A 992 4.735 -11.891 13.006 1.00 0.00 H ATOM 114 N VAL A 993 5.084 -7.554 13.669 1.00 6.83 N ATOM 115 CA VAL A 993 6.031 -6.523 14.073 1.00 6.21 C ATOM 116 C VAL A 993 5.358 -5.543 15.012 1.00 9.54 C ATOM 117 O VAL A 993 4.275 -5.033 14.713 1.00 8.83 O ATOM 118 CB VAL A 993 6.598 -5.765 12.859 1.00 11.70 C ATOM 119 CG1 VAL A 993 7.582 -4.667 13.316 1.00 12.20 C ATOM 120 CG2 VAL A 993 7.281 -6.754 11.884 1.00 11.38 C ATOM 121 H VAL A 993 4.180 -7.249 13.256 1.00 0.00 H ATOM 122 N ILE A 994 6.025 -5.241 16.127 1.00 7.94 N ATOM 123 CA ILE A 994 5.579 -4.174 17.023 1.00 8.12 C ATOM 124 C ILE A 994 5.907 -2.835 16.372 1.00 10.27 C ATOM 125 O ILE A 994 7.070 -2.575 16.058 1.00 10.39 O ATOM 126 CB ILE A 994 6.273 -4.289 18.390 1.00 8.76 C ATOM 127 CG1 ILE A 994 5.741 -5.484 19.146 1.00 9.31 C ATOM 128 CG2 ILE A 994 6.024 -3.032 19.217 1.00 10.50 C ATOM 129 CD1 ILE A 994 6.430 -5.782 20.472 1.00 14.70 C ATOM 130 H ILE A 994 6.884 -5.777 16.365 1.00 0.00 H ATOM 131 N VAL A 995 4.889 -1.991 16.173 1.00 5.33 N ATOM 132 CA VAL A 995 5.078 -0.695 15.522 1.00 9.40 C ATOM 133 C VAL A 995 4.748 0.473 16.424 1.00 10.02 C ATOM 134 O VAL A 995 4.908 1.623 16.008 1.00 10.71 O ATOM 135 CB VAL A 995 4.258 -0.591 14.226 1.00 8.93 C ATOM 136 CG1 VAL A 995 4.761 -1.621 13.220 1.00 9.44 C ATOM 137 CG2 VAL A 995 2.808 -0.761 14.520 1.00 15.43 C ATOM 138 H VAL A 995 3.937 -2.264 16.490 1.00 0.00 H ATOM 139 N GLY A 996 4.268 0.228 17.636 1.00 7.55 N ATOM 140 CA GLY A 996 4.025 1.312 18.548 1.00 8.15 C ATOM 141 C GLY A 996 3.422 0.759 19.810 1.00 8.35 C ATOM 142 O GLY A 996 3.476 -0.449 20.038 1.00 8.13 O ATOM 143 H GLY A 996 4.067 -0.750 17.927 1.00 0.00 H ATOM 144 N ARG A 997 2.821 1.632 20.613 1.00 7.15 N ATOM 145 CA ARG A 997 2.235 1.195 21.877 1.00 11.05 C ATOM 146 C ARG A 997 1.149 2.167 22.293 1.00 10.72 C ATOM 147 O ARG A 997 1.102 3.320 21.841 1.00 8.36 O ATOM 148 CB ARG A 997 3.277 1.100 22.983 1.00 14.41 C ATOM 149 CG ARG A 997 3.762 2.474 23.412 1.00 10.23 C ATOM 150 CD ARG A 997 4.781 2.382 24.559 1.00 10.50 C ATOM 151 NE ARG A 997 6.038 1.861 24.066 1.00 11.56 N ATOM 152 CZ ARG A 997 7.062 2.578 23.604 1.00 18.29 C ATOM 153 NH1 ARG A 997 7.010 3.914 23.565 1.00 19.14 N ATOM 154 NH2 ARG A 997 8.143 1.945 23.170 1.00 12.68 N ATOM 155 HE ARG A 997 6.153 0.827 24.073 1.00 0.00 H ATOM 156 HH12 ARG A 997 7.820 4.456 23.201 1.00 0.00 H ATOM 157 HH11 ARG A 997 6.160 4.411 23.899 1.00 0.00 H ATOM 158 HH22 ARG A 997 8.952 2.487 22.806 1.00 0.00 H ATOM 159 HH21 ARG A 997 8.182 0.906 23.194 1.00 0.00 H ATOM 160 H ARG A 997 2.768 2.634 20.339 1.00 0.00 H ATOM 161 N ILE A 998 0.286 1.691 23.185 1.00 9.56 N ATOM 162 CA ILE A 998 -0.651 2.569 23.857 1.00 8.32 C ATOM 163 C ILE A 998 -0.047 2.885 25.208 1.00 13.43 C ATOM 164 O ILE A 998 0.048 2.016 26.074 1.00 11.88 O ATOM 165 CB ILE A 998 -2.041 1.954 23.992 1.00 13.77 C ATOM 166 CG1 ILE A 998 -2.555 1.471 22.638 1.00 11.35 C ATOM 167 CG2 ILE A 998 -2.982 3.002 24.610 1.00 11.77 C ATOM 168 CD1 ILE A 998 -2.512 2.543 21.555 1.00 9.26 C ATOM 169 H ILE A 998 0.283 0.674 23.404 1.00 0.00 H ATOM 170 N ASN A 999 0.362 4.138 25.396 1.00 10.26 N ATOM 171 CA ASN A 999 1.031 4.544 26.624 1.00 10.03 C ATOM 172 C ASN A 999 0.006 4.787 27.719 1.00 12.10 C ATOM 173 O ASN A 999 -0.851 5.676 27.600 1.00 12.86 O ATOM 174 CB ASN A 999 1.877 5.805 26.389 1.00 9.39 C ATOM 175 CG ASN A 999 2.852 6.065 27.505 1.00 18.16 C ATOM 176 OD1 ASN A 999 2.455 6.241 28.654 1.00 18.96 O ATOM 177 ND2 ASN A 999 4.139 6.065 27.194 1.00 16.42 N ATOM 178 HD22 ASN A 999 4.436 5.912 26.209 1.00 0.00 H ATOM 179 HD21 ASN A 999 4.853 6.218 27.935 1.00 0.00 H ATOM 180 H ASN A 999 0.200 4.843 24.649 1.00 0.00 H ATOM 181 N LEU A1000 0.112 4.016 28.797 1.00 11.56 N ATOM 182 CA LEU A1000 -0.811 4.121 29.916 1.00 14.11 C ATOM 183 C LEU A1000 -0.079 4.407 31.224 1.00 17.84 C ATOM 184 O LEU A1000 -0.630 4.170 32.297 1.00 18.76 O ATOM 185 CB LEU A1000 -1.622 2.833 30.054 1.00 10.97 C ATOM 186 CG LEU A1000 -2.447 2.384 28.864 1.00 17.51 C ATOM 187 CD1 LEU A1000 -2.946 0.950 29.084 1.00 19.68 C ATOM 188 CD2 LEU A1000 -3.600 3.339 28.679 1.00 16.27 C ATOM 189 H LEU A1000 0.879 3.316 28.841 1.00 0.00 H ATOM 190 N SER A1001 1.155 4.904 31.154 1.00 14.75 N ATOM 191 CA SER A1001 1.998 4.957 32.334 1.00 22.04 C ATOM 192 C SER A1001 1.719 6.177 33.196 1.00 28.81 C ATOM 193 O SER A1001 2.086 6.174 34.380 1.00 25.02 O ATOM 194 CB SER A1001 3.475 4.903 31.923 1.00 21.71 C ATOM 195 OG SER A1001 3.853 6.013 31.137 1.00 29.40 O ATOM 196 HG SER A1001 3.305 6.034 30.313 1.00 0.00 H ATOM 197 H SER A1001 1.517 5.257 30.245 1.00 0.00 H ATOM 198 N GLY A1002 1.030 7.181 32.660 1.00 18.15 N ATOM 199 CA GLY A1002 0.884 8.449 33.353 1.00 21.16 C ATOM 200 C GLY A1002 -0.578 8.799 33.517 1.00 17.85 C ATOM 201 O GLY A1002 -1.393 7.903 33.742 1.00 26.46 O ATOM 202 H GLY A1002 0.588 7.055 31.727 1.00 0.00 H ATOM 203 N ASP A1003 -0.929 10.072 33.406 1.00 15.22 N ATOM 204 CA ASP A1003 -2.300 10.503 33.630 1.00 16.10 C ATOM 205 C ASP A1003 -3.109 10.611 32.355 1.00 14.89 C ATOM 206 O ASP A1003 -4.334 10.766 32.436 1.00 16.23 O ATOM 207 CB ASP A1003 -2.340 11.845 34.374 1.00 23.19 C ATOM 208 CG ASP A1003 -1.677 12.976 33.610 1.00 40.97 C ATOM 209 OD1 ASP A1003 -1.027 12.728 32.560 1.00 35.31 O ATOM 210 OD2 ASP A1003 -1.807 14.131 34.086 1.00 49.60 O ATOM 211 H ASP A1003 -0.209 10.778 33.153 1.00 0.00 H ATOM 212 N THR A1004 -2.470 10.441 31.189 1.00 15.11 N ATOM 213 CA THR A1004 -3.113 10.581 29.887 1.00 14.96 C ATOM 214 C THR A1004 -2.775 9.355 29.043 1.00 11.87 C ATOM 215 O THR A1004 -1.627 8.922 29.016 1.00 14.44 O ATOM 216 CB THR A1004 -2.635 11.874 29.205 1.00 24.53 C ATOM 217 OG1 THR A1004 -2.844 12.992 30.098 1.00 21.07 O ATOM 218 CG2 THR A1004 -3.377 12.139 27.889 1.00 24.89 C ATOM 219 HG1 THR A1004 -2.537 13.825 29.660 1.00 0.00 H ATOM 220 H THR A1004 -1.460 10.196 31.214 1.00 0.00 H ATOM 221 N ALA A1005 -3.773 8.749 28.429 1.00 12.33 N ATOM 222 CA ALA A1005 -3.532 7.609 27.549 1.00 12.97 C ATOM 223 C ALA A1005 -3.286 8.151 26.159 1.00 8.94 C ATOM 224 O ALA A1005 -4.047 9.001 25.701 1.00 11.16 O ATOM 225 CB ALA A1005 -4.730 6.654 27.517 1.00 14.53 C ATOM 226 H ALA A1005 -4.745 9.088 28.574 1.00 0.00 H ATOM 227 N TYR A1006 -2.233 7.676 25.501 1.00 8.20 N ATOM 228 CA TYR A1006 -1.952 8.142 24.149 1.00 6.10 C ATOM 229 C TYR A1006 -1.166 7.095 23.382 1.00 10.95 C ATOM 230 O TYR A1006 -0.363 6.357 23.950 1.00 10.25 O ATOM 231 CB TYR A1006 -1.215 9.486 24.132 1.00 9.08 C ATOM 232 CG TYR A1006 0.151 9.507 24.766 1.00 10.88 C ATOM 233 CD1 TYR A1006 0.303 9.540 26.126 1.00 11.26 C ATOM 234 CD2 TYR A1006 1.297 9.541 23.976 1.00 13.60 C ATOM 235 CE1 TYR A1006 1.597 9.598 26.711 1.00 16.58 C ATOM 236 CE2 TYR A1006 2.556 9.591 24.534 1.00 13.87 C ATOM 237 CZ TYR A1006 2.698 9.637 25.903 1.00 17.90 C ATOM 238 OH TYR A1006 3.986 9.697 26.408 1.00 15.96 O ATOM 239 HH TYR A1006 3.950 9.725 27.397 1.00 0.00 H ATOM 240 H TYR A1006 -1.611 6.974 25.950 1.00 0.00 H ATOM 241 N ALA A1007 -1.425 7.043 22.083 1.00 8.15 N ATOM 242 CA ALA A1007 -0.704 6.166 21.180 1.00 7.69 C ATOM 243 C ALA A1007 0.642 6.777 20.801 1.00 9.58 C ATOM 244 O ALA A1007 0.777 8.005 20.649 1.00 9.20 O ATOM 245 CB ALA A1007 -1.523 5.906 19.919 1.00 9.40 C ATOM 246 H ALA A1007 -2.173 7.654 21.697 1.00 0.00 H ATOM 247 N GLN A1008 1.650 5.913 20.725 1.00 5.93 N ATOM 248 CA GLN A1008 2.981 6.259 20.242 1.00 8.47 C ATOM 249 C GLN A1008 3.339 5.301 19.119 1.00 8.59 C ATOM 250 O GLN A1008 3.135 4.089 19.249 1.00 9.38 O ATOM 251 CB GLN A1008 4.039 6.155 21.324 1.00 6.43 C ATOM 252 CG GLN A1008 3.765 6.975 22.551 1.00 9.95 C ATOM 253 CD GLN A1008 4.717 6.672 23.663 1.00 15.02 C ATOM 254 OE1 GLN A1008 4.586 5.648 24.325 1.00 12.97 O ATOM 255 NE2 GLN A1008 5.656 7.579 23.916 1.00 13.86 N ATOM 256 HE22 GLN A1008 5.727 8.432 23.326 1.00 0.00 H ATOM 257 HE21 GLN A1008 6.319 7.435 24.704 1.00 0.00 H ATOM 258 H GLN A1008 1.479 4.933 21.028 1.00 0.00 H ATOM 259 N GLN A1009 3.853 5.844 18.013 1.00 7.88 N ATOM 260 CA GLN A1009 4.459 5.031 16.982 1.00 6.65 C ATOM 261 C GLN A1009 5.950 4.921 17.228 1.00 9.70 C ATOM 262 O GLN A1009 6.620 5.913 17.537 1.00 7.50 O ATOM 263 CB GLN A1009 4.206 5.584 15.577 1.00 8.26 C ATOM 264 CG GLN A1009 4.618 4.562 14.528 1.00 8.02 C ATOM 265 CD GLN A1009 4.324 5.020 13.128 1.00 11.83 C ATOM 266 OE1 GLN A1009 3.298 4.662 12.502 1.00 12.90 O ATOM 267 NE2 GLN A1009 5.214 5.835 12.620 1.00 7.68 N ATOM 268 HE22 GLN A1009 6.050 6.104 13.177 1.00 0.00 H ATOM 269 HE21 GLN A1009 5.085 6.213 11.660 1.00 0.00 H ATOM 270 H GLN A1009 3.817 6.876 17.890 1.00 0.00 H ATOM 271 N THR A1010 6.459 3.709 17.122 1.00 9.44 N ATOM 272 CA THR A1010 7.880 3.456 17.296 1.00 7.49 C ATOM 273 C THR A1010 8.570 2.954 16.025 1.00 12.36 C ATOM 274 O THR A1010 9.806 2.912 15.993 1.00 11.93 O ATOM 275 CB THR A1010 8.119 2.465 18.448 1.00 11.19 C ATOM 276 OG1 THR A1010 7.483 1.219 18.164 1.00 10.77 O ATOM 277 CG2 THR A1010 7.550 3.004 19.752 1.00 12.69 C ATOM 278 HG1 THR A1010 7.643 0.590 18.911 1.00 0.00 H ATOM 279 H THR A1010 5.826 2.912 16.908 1.00 0.00 H ATOM 280 N ARG A1011 7.822 2.608 14.991 1.00 10.68 N ATOM 281 CA ARG A1011 8.377 2.208 13.700 1.00 8.89 C ATOM 282 C ARG A1011 7.416 2.539 12.564 1.00 8.45 C ATOM 283 O ARG A1011 6.220 2.265 12.654 1.00 11.19 O ATOM 284 CB ARG A1011 8.680 0.711 13.694 1.00 14.04 C ATOM 285 CG ARG A1011 9.545 0.312 12.568 1.00 25.94 C ATOM 286 CD ARG A1011 9.781 -1.159 12.611 1.00 22.48 C ATOM 287 NE ARG A1011 10.778 -1.654 13.543 1.00 18.25 N ATOM 288 CZ ARG A1011 12.093 -1.603 13.355 1.00 20.35 C ATOM 289 NH1 ARG A1011 12.620 -0.963 12.308 1.00 20.38 N ATOM 290 NH2 ARG A1011 12.881 -2.189 14.234 1.00 19.58 N ATOM 291 HE ARG A1011 10.437 -2.082 14.427 1.00 0.00 H ATOM 292 HH12 ARG A1011 13.652 -0.936 12.181 1.00 0.00 H ATOM 293 HH11 ARG A1011 11.999 -0.492 11.620 1.00 0.00 H ATOM 294 HH22 ARG A1011 13.913 -2.162 14.107 1.00 0.00 H ATOM 295 HH21 ARG A1011 12.471 -2.679 15.055 1.00 0.00 H ATOM 296 H ARG A1011 6.788 2.621 15.102 1.00 0.00 H ATOM 297 N GLY A1012 7.955 3.136 11.496 1.00 10.83 N ATOM 298 CA GLY A1012 7.189 3.418 10.306 1.00 12.88 C ATOM 299 C GLY A1012 6.970 2.231 9.370 1.00 17.87 C ATOM 300 O GLY A1012 7.486 1.122 9.555 1.00 18.44 O ATOM 301 H GLY A1012 8.959 3.406 11.524 1.00 0.00 H ATOM 302 N GLU A1013 6.166 2.496 8.318 1.00 22.75 N ATOM 303 CA GLU A1013 5.655 1.430 7.445 1.00 18.65 C ATOM 304 C GLU A1013 6.778 0.728 6.699 1.00 23.22 C ATOM 305 O GLU A1013 6.752 -0.510 6.535 1.00 19.19 O ATOM 306 CB GLU A1013 4.639 1.995 6.433 1.00 17.58 C ATOM 307 H GLU A1013 5.901 3.482 8.120 1.00 0.00 H ATOM 308 N GLU A1014 7.744 1.503 6.185 1.00 20.96 N ATOM 309 CA GLU A1014 8.867 0.917 5.466 1.00 24.25 C ATOM 310 C GLU A1014 9.706 0.045 6.392 1.00 30.36 C ATOM 311 O GLU A1014 10.044 -1.101 6.059 1.00 20.30 O ATOM 312 CB GLU A1014 9.719 2.018 4.829 1.00 31.34 C ATOM 313 H GLU A1014 7.691 2.535 6.301 1.00 0.00 H ATOM 314 N GLY A1015 10.072 0.581 7.561 1.00 18.72 N ATOM 315 CA GLY A1015 10.827 -0.209 8.516 1.00 19.13 C ATOM 316 C GLY A1015 10.041 -1.397 9.052 1.00 17.22 C ATOM 317 O GLY A1015 10.615 -2.461 9.300 1.00 16.92 O ATOM 318 H GLY A1015 9.816 1.564 7.786 1.00 0.00 H ATOM 319 N CYS A1016 8.722 -1.262 9.189 1.00 14.90 N ATOM 320 CA CYS A1016 7.913 -2.420 9.561 1.00 14.36 C ATOM 321 C CYS A1016 8.025 -3.527 8.512 1.00 18.26 C ATOM 322 O CYS A1016 8.244 -4.699 8.840 1.00 14.65 O ATOM 323 CB CYS A1016 6.458 -1.989 9.741 1.00 15.73 C ATOM 324 SG CYS A1016 5.282 -3.292 10.109 1.00 15.37 S ATOM 325 H CYS A1016 8.272 -0.338 9.032 1.00 0.00 H ATOM 326 N GLN A1017 7.886 -3.170 7.235 1.00 18.17 N ATOM 327 CA GLN A1017 7.979 -4.167 6.164 1.00 16.09 C ATOM 328 C GLN A1017 9.311 -4.914 6.195 1.00 20.61 C ATOM 329 O GLN A1017 9.342 -6.140 6.038 1.00 17.27 O ATOM 330 CB GLN A1017 7.733 -3.486 4.805 1.00 19.34 C ATOM 331 H GLN A1017 7.710 -2.173 6.996 1.00 0.00 H ATOM 332 N GLU A1018 10.425 -4.210 6.411 1.00 13.94 N ATOM 333 CA GLU A1018 11.731 -4.862 6.442 1.00 20.50 C ATOM 334 C GLU A1018 11.873 -5.766 7.659 1.00 19.41 C ATOM 335 O GLU A1018 12.501 -6.830 7.590 1.00 21.66 O ATOM 336 CB GLU A1018 12.836 -3.811 6.457 1.00 24.69 C ATOM 337 CG GLU A1018 14.255 -4.334 6.698 1.00 34.03 C ATOM 338 CD GLU A1018 14.811 -5.166 5.530 1.00 50.55 C ATOM 339 OE1 GLU A1018 14.079 -5.362 4.532 1.00 59.04 O ATOM 340 OE2 GLU A1018 15.983 -5.611 5.606 1.00 48.18 O ATOM 341 H GLU A1018 10.361 -3.183 6.559 1.00 0.00 H ATOM 342 N THR A1019 11.360 -5.320 8.804 1.00 17.37 N ATOM 343 CA THR A1019 11.487 -6.098 10.033 1.00 13.86 C ATOM 344 C THR A1019 10.635 -7.353 9.953 1.00 13.01 C ATOM 345 O THR A1019 10.981 -8.401 10.516 1.00 15.42 O ATOM 346 CB THR A1019 11.066 -5.208 11.209 1.00 14.69 C ATOM 347 OG1 THR A1019 11.868 -4.009 11.190 1.00 16.44 O ATOM 348 CG2 THR A1019 11.218 -5.934 12.547 1.00 15.07 C ATOM 349 HG1 THR A1019 12.824 -4.251 11.276 1.00 0.00 H ATOM 350 H THR A1019 10.863 -4.407 8.823 1.00 0.00 H ATOM 351 N SER A1020 9.503 -7.250 9.272 1.00 14.05 N ATOM 352 CA SER A1020 8.634 -8.405 9.090 1.00 12.71 C ATOM 353 C SER A1020 9.318 -9.484 8.260 1.00 18.37 C ATOM 354 O SER A1020 9.189 -10.677 8.549 1.00 12.76 O ATOM 355 CB SER A1020 7.350 -7.930 8.430 1.00 14.18 C ATOM 356 OG SER A1020 6.443 -8.995 8.286 1.00 20.04 O ATOM 357 HG SER A1020 6.227 -9.366 9.178 1.00 0.00 H ATOM 358 H SER A1020 9.232 -6.333 8.862 1.00 0.00 H ATOM 359 N GLN A1021 10.071 -9.076 7.231 1.00 13.82 N ATOM 360 CA GLN A1021 10.776 -10.046 6.407 1.00 18.35 C ATOM 361 C GLN A1021 11.930 -10.689 7.169 1.00 15.82 C ATOM 362 O GLN A1021 12.142 -11.903 7.088 1.00 18.84 O ATOM 363 CB GLN A1021 11.266 -9.359 5.124 1.00 16.34 C ATOM 364 H GLN A1021 10.152 -8.061 7.020 1.00 0.00 H ATOM 365 N THR A1022 12.691 -9.910 7.918 1.00 16.88 N ATOM 366 CA THR A1022 13.840 -10.488 8.612 1.00 11.60 C ATOM 367 C THR A1022 13.453 -11.179 9.912 1.00 17.32 C ATOM 368 O THR A1022 14.129 -12.131 10.331 1.00 15.88 O ATOM 369 CB THR A1022 14.902 -9.426 8.941 1.00 21.47 C ATOM 370 OG1 THR A1022 14.376 -8.526 9.924 1.00 17.25 O ATOM 371 CG2 THR A1022 15.356 -8.648 7.683 1.00 24.02 C ATOM 372 HG1 THR A1022 15.056 -7.840 10.139 1.00 0.00 H ATOM 373 H THR A1022 12.475 -8.897 8.012 1.00 0.00 H ATOM 374 N GLY A1023 12.400 -10.701 10.578 1.00 14.68 N ATOM 375 CA GLY A1023 12.102 -11.131 11.929 1.00 12.50 C ATOM 376 C GLY A1023 12.999 -10.577 13.014 1.00 10.78 C ATOM 377 O GLY A1023 12.921 -11.019 14.158 1.00 12.91 O ATOM 378 H GLY A1023 11.780 -10.005 10.117 1.00 0.00 H ATOM 379 N ARG A1024 13.824 -9.596 12.704 1.00 11.18 N ATOM 380 CA ARG A1024 14.827 -9.089 13.614 1.00 10.36 C ATOM 381 C ARG A1024 14.436 -7.672 13.941 1.00 13.52 C ATOM 382 O ARG A1024 14.500 -6.800 13.076 1.00 14.84 O ATOM 383 CB ARG A1024 16.219 -9.109 13.000 1.00 17.23 C ATOM 384 CG ARG A1024 16.763 -10.488 12.688 1.00 29.78 C ATOM 385 CD ARG A1024 18.266 -10.389 12.381 1.00 43.18 C ATOM 386 NE ARG A1024 19.007 -10.080 13.599 1.00 49.71 N ATOM 387 CZ ARG A1024 19.519 -10.994 14.417 1.00 43.16 C ATOM 388 NH1 ARG A1024 20.165 -10.602 15.504 1.00 41.01 N ATOM 389 NH2 ARG A1024 19.401 -12.292 14.144 1.00 37.93 N ATOM 390 HE ARG A1024 19.144 -9.078 13.843 1.00 0.00 H ATOM 391 HH12 ARG A1024 20.570 -11.308 16.151 1.00 0.00 H ATOM 392 HH11 ARG A1024 20.268 -9.588 15.711 1.00 0.00 H ATOM 393 HH22 ARG A1024 19.806 -12.998 14.791 1.00 0.00 H ATOM 394 HH21 ARG A1024 18.904 -12.599 13.284 1.00 0.00 H ATOM 395 H ARG A1024 13.750 -9.166 11.760 1.00 0.00 H ATOM 396 N ASP A1025 13.997 -7.471 15.170 1.00 12.84 N ATOM 397 CA ASP A1025 13.529 -6.190 15.642 1.00 14.97 C ATOM 398 C ASP A1025 14.386 -5.813 16.831 1.00 16.83 C ATOM 399 O ASP A1025 14.282 -6.432 17.892 1.00 14.86 O ATOM 400 CB ASP A1025 12.063 -6.269 16.032 1.00 12.62 C ATOM 401 CG ASP A1025 11.526 -4.938 16.490 1.00 18.04 C ATOM 402 OD1 ASP A1025 12.288 -3.941 16.457 1.00 15.88 O ATOM 403 OD2 ASP A1025 10.351 -4.895 16.862 1.00 15.98 O ATOM 404 H ASP A1025 13.988 -8.275 15.830 1.00 0.00 H ATOM 405 N LYS A1026 15.250 -4.819 16.650 1.00 14.48 N ATOM 406 CA LYS A1026 16.092 -4.353 17.737 1.00 20.20 C ATOM 407 C LYS A1026 15.477 -3.210 18.527 1.00 18.32 C ATOM 408 O LYS A1026 16.145 -2.686 19.416 1.00 17.27 O ATOM 409 CB LYS A1026 17.452 -3.883 17.187 1.00 26.31 C ATOM 410 CG LYS A1026 18.223 -4.912 16.374 1.00 36.57 C ATOM 411 CD LYS A1026 18.942 -5.906 17.253 1.00 41.53 C ATOM 412 CE LYS A1026 19.719 -6.917 16.397 1.00 60.96 C ATOM 413 NZ LYS A1026 20.968 -6.357 15.785 1.00 61.68 N ATOM 414 HZ1 LYS A1026 20.722 -5.555 15.170 1.00 0.00 H ATOM 415 HZ2 LYS A1026 21.607 -6.034 16.539 1.00 0.00 H ATOM 416 HZ3 LYS A1026 21.438 -7.095 15.223 1.00 0.00 H ATOM 417 H LYS A1026 15.324 -4.368 15.716 1.00 0.00 H ATOM 418 N ASN A1027 14.274 -2.748 18.189 1.00 14.09 N ATOM 419 CA ASN A1027 13.742 -1.596 18.900 1.00 11.94 C ATOM 420 C ASN A1027 13.441 -1.941 20.344 1.00 18.04 C ATOM 421 O ASN A1027 13.116 -3.078 20.680 1.00 20.31 O ATOM 422 CB ASN A1027 12.486 -1.065 18.216 1.00 20.55 C ATOM 423 CG ASN A1027 12.799 -0.154 17.058 1.00 26.93 C ATOM 424 OD1 ASN A1027 13.971 0.058 16.712 1.00 25.68 O ATOM 425 ND2 ASN A1027 11.751 0.350 16.402 1.00 26.90 N ATOM 426 HD22 ASN A1027 10.785 0.145 16.729 1.00 0.00 H ATOM 427 HD21 ASN A1027 11.900 0.947 15.564 1.00 0.00 H ATOM 428 H ASN A1027 13.726 -3.202 17.431 1.00 0.00 H ATOM 429 N GLN A1028 13.596 -0.939 21.209 1.00 17.73 N ATOM 430 CA GLN A1028 13.210 -1.050 22.603 1.00 16.20 C ATOM 431 C GLN A1028 11.696 -1.152 22.688 1.00 23.24 C ATOM 432 O GLN A1028 10.966 -0.388 22.034 1.00 19.39 O ATOM 433 CB GLN A1028 13.674 0.178 23.399 1.00 20.02 C ATOM 434 H GLN A1028 14.008 -0.046 20.873 1.00 0.00 H ATOM 435 N VAL A1029 11.229 -2.096 23.491 1.00 16.07 N ATOM 436 CA VAL A1029 9.806 -2.301 23.737 1.00 12.22 C ATOM 437 C VAL A1029 9.521 -1.804 25.136 1.00 13.01 C ATOM 438 O VAL A1029 10.318 -2.027 26.055 1.00 13.19 O ATOM 439 CB VAL A1029 9.419 -3.785 23.602 1.00 12.45 C ATOM 440 CG1 VAL A1029 7.981 -4.000 24.053 1.00 14.09 C ATOM 441 CG2 VAL A1029 9.595 -4.193 22.153 1.00 17.95 C ATOM 442 H VAL A1029 11.909 -2.721 23.969 1.00 0.00 H ATOM 443 N GLU A1030 8.395 -1.126 25.301 1.00 11.82 N ATOM 444 CA GLU A1030 7.993 -0.666 26.618 1.00 10.64 C ATOM 445 C GLU A1030 6.498 -0.871 26.741 1.00 8.37 C ATOM 446 O GLU A1030 5.783 -0.847 25.729 1.00 10.16 O ATOM 447 CB GLU A1030 8.311 0.827 26.837 1.00 11.49 C ATOM 448 CG GLU A1030 9.753 1.172 26.726 1.00 15.92 C ATOM 449 CD GLU A1030 9.992 2.633 27.041 1.00 22.06 C ATOM 450 OE1 GLU A1030 9.331 3.131 27.947 1.00 34.28 O ATOM 451 OE2 GLU A1030 10.814 3.278 26.369 1.00 34.41 O ATOM 452 H GLU A1030 7.793 -0.921 24.478 1.00 0.00 H ATOM 453 N GLY A1031 6.033 -1.118 27.959 1.00 8.56 N ATOM 454 CA GLY A1031 4.608 -1.013 28.239 1.00 14.79 C ATOM 455 C GLY A1031 3.850 -2.331 28.063 1.00 12.36 C ATOM 456 O GLY A1031 4.396 -3.382 27.721 1.00 10.25 O ATOM 457 H GLY A1031 6.690 -1.388 28.718 1.00 0.00 H ATOM 458 N GLU A1032 2.543 -2.244 28.295 1.00 9.53 N ATOM 459 CA GLU A1032 1.668 -3.417 28.339 1.00 8.26 C ATOM 460 C GLU A1032 0.930 -3.673 27.041 1.00 7.79 C ATOM 461 O GLU A1032 0.642 -4.822 26.714 1.00 8.45 O ATOM 462 CB GLU A1032 0.607 -3.244 29.424 1.00 10.94 C ATOM 463 CG GLU A1032 1.155 -3.039 30.824 1.00 16.32 C ATOM 464 CD GLU A1032 1.229 -1.571 31.234 1.00 31.20 C ATOM 465 OE1 GLU A1032 1.214 -0.672 30.357 1.00 18.33 O ATOM 466 OE2 GLU A1032 1.287 -1.327 32.461 1.00 49.03 O ATOM 467 H GLU A1032 2.126 -1.304 28.452 1.00 0.00 H ATOM 468 N VAL A1033 0.569 -2.614 26.335 1.00 7.24 N ATOM 469 CA VAL A1033 -0.250 -2.721 25.141 1.00 9.52 C ATOM 470 C VAL A1033 0.568 -2.275 23.949 1.00 8.26 C ATOM 471 O VAL A1033 0.934 -1.097 23.852 1.00 8.60 O ATOM 472 CB VAL A1033 -1.525 -1.882 25.260 1.00 8.33 C ATOM 473 CG1 VAL A1033 -2.356 -2.037 23.970 1.00 8.72 C ATOM 474 CG2 VAL A1033 -2.313 -2.307 26.494 1.00 8.33 C ATOM 475 H VAL A1033 0.883 -1.672 26.646 1.00 0.00 H ATOM 476 N GLN A1034 0.770 -3.182 22.996 1.00 7.01 N ATOM 477 CA GLN A1034 1.534 -2.906 21.794 1.00 8.46 C ATOM 478 C GLN A1034 0.598 -2.762 20.596 1.00 8.31 C ATOM 479 O GLN A1034 -0.445 -3.414 20.507 1.00 8.27 O ATOM 480 CB GLN A1034 2.546 -4.010 21.489 1.00 7.13 C ATOM 481 CG GLN A1034 3.408 -4.403 22.664 1.00 8.35 C ATOM 482 CD GLN A1034 4.225 -3.252 23.193 1.00 10.58 C ATOM 483 OE1 GLN A1034 4.816 -2.474 22.412 1.00 10.13 O ATOM 484 NE2 GLN A1034 4.264 -3.109 24.519 1.00 9.27 N ATOM 485 HE22 GLN A1034 3.757 -3.781 25.130 1.00 0.00 H ATOM 486 HE21 GLN A1034 4.802 -2.326 24.942 1.00 0.00 H ATOM 487 H GLN A1034 0.362 -4.131 23.119 1.00 0.00 H ATOM 488 N ILE A1035 0.985 -1.890 19.693 1.00 6.62 N ATOM 489 CA ILE A1035 0.407 -1.828 18.362 1.00 7.19 C ATOM 490 C ILE A1035 1.262 -2.705 17.462 1.00 7.16 C ATOM 491 O ILE A1035 2.488 -2.537 17.408 1.00 7.69 O ATOM 492 CB ILE A1035 0.364 -0.382 17.833 1.00 7.06 C ATOM 493 CG1 ILE A1035 -0.364 0.514 18.848 1.00 7.85 C ATOM 494 CG2 ILE A1035 -0.315 -0.386 16.458 1.00 10.08 C ATOM 495 CD1 ILE A1035 -0.227 2.032 18.482 1.00 8.40 C ATOM 496 H ILE A1035 1.737 -1.216 19.942 1.00 0.00 H ATOM 497 N VAL A1036 0.628 -3.651 16.763 1.00 6.54 N ATOM 498 CA VAL A1036 1.351 -4.622 15.953 1.00 5.56 C ATOM 499 C VAL A1036 0.803 -4.621 14.531 1.00 7.13 C ATOM 500 O VAL A1036 -0.341 -4.218 14.264 1.00 8.67 O ATOM 501 CB VAL A1036 1.260 -6.055 16.560 1.00 4.87 C ATOM 502 CG1 VAL A1036 1.923 -6.087 17.910 1.00 10.46 C ATOM 503 CG2 VAL A1036 -0.144 -6.491 16.687 1.00 7.61 C ATOM 504 H VAL A1036 -0.410 -3.695 16.798 1.00 0.00 H ATOM 505 N SER A1037 1.638 -5.084 13.607 1.00 7.97 N ATOM 506 CA SER A1037 1.279 -5.065 12.205 1.00 7.17 C ATOM 507 C SER A1037 1.881 -6.255 11.490 1.00 9.40 C ATOM 508 O SER A1037 2.942 -6.745 11.863 1.00 10.30 O ATOM 509 CB SER A1037 1.777 -3.802 11.524 1.00 10.11 C ATOM 510 OG SER A1037 1.106 -2.654 12.057 1.00 14.95 O ATOM 511 HG SER A1037 1.440 -1.839 11.605 1.00 0.00 H ATOM 512 H SER A1037 2.562 -5.465 13.895 1.00 0.00 H ATOM 513 N THR A1038 1.191 -6.683 10.446 1.00 8.15 N ATOM 514 CA THR A1038 1.714 -7.585 9.436 1.00 12.07 C ATOM 515 C THR A1038 1.769 -6.802 8.131 1.00 12.34 C ATOM 516 O THR A1038 1.532 -5.590 8.093 1.00 9.80 O ATOM 517 CB THR A1038 0.815 -8.798 9.300 1.00 12.79 C ATOM 518 OG1 THR A1038 -0.440 -8.355 8.786 1.00 12.23 O ATOM 519 CG2 THR A1038 0.575 -9.496 10.614 1.00 11.70 C ATOM 520 HG1 THR A1038 -1.047 -9.131 8.687 1.00 0.00 H ATOM 521 H THR A1038 0.211 -6.352 10.342 1.00 0.00 H ATOM 522 N ALA A1039 1.995 -7.504 7.021 1.00 14.04 N ATOM 523 CA ALA A1039 2.013 -6.775 5.759 1.00 24.16 C ATOM 524 C ALA A1039 0.637 -6.242 5.377 1.00 18.55 C ATOM 525 O ALA A1039 0.540 -5.298 4.583 1.00 18.93 O ATOM 526 CB ALA A1039 2.549 -7.690 4.651 1.00 23.50 C ATOM 527 H ALA A1039 2.152 -8.532 7.054 1.00 0.00 H ATOM 528 N THR A1040 -0.429 -6.829 5.910 1.00 15.29 N ATOM 529 CA THR A1040 -1.770 -6.518 5.473 1.00 11.61 C ATOM 530 C THR A1040 -2.706 -6.038 6.571 1.00 12.93 C ATOM 531 O THR A1040 -3.780 -5.530 6.249 1.00 14.73 O ATOM 532 CB THR A1040 -2.380 -7.767 4.840 1.00 19.26 C ATOM 533 OG1 THR A1040 -2.248 -8.848 5.770 1.00 16.79 O ATOM 534 CG2 THR A1040 -1.630 -8.103 3.573 1.00 21.71 C ATOM 535 HG1 THR A1040 -2.638 -9.669 5.378 1.00 0.00 H ATOM 536 H THR A1040 -0.294 -7.533 6.664 1.00 0.00 H ATOM 537 N GLN A1041 -2.334 -6.150 7.841 1.00 9.61 N ATOM 538 CA GLN A1041 -3.256 -5.798 8.902 1.00 10.02 C ATOM 539 C GLN A1041 -2.507 -5.101 10.033 1.00 10.76 C ATOM 540 O GLN A1041 -1.309 -5.276 10.210 1.00 7.54 O ATOM 541 CB GLN A1041 -3.979 -7.075 9.445 1.00 9.35 C ATOM 542 CG GLN A1041 -4.805 -7.844 8.411 1.00 12.64 C ATOM 543 CD GLN A1041 -5.713 -8.922 8.985 1.00 22.90 C ATOM 544 OE1 GLN A1041 -6.956 -8.780 9.023 1.00 25.21 O ATOM 545 NE2 GLN A1041 -5.117 -10.037 9.373 1.00 23.80 N ATOM 546 HE22 GLN A1041 -4.081 -10.116 9.326 1.00 0.00 H ATOM 547 HE21 GLN A1041 -5.684 -10.835 9.725 1.00 0.00 H ATOM 548 H GLN A1041 -1.380 -6.491 8.074 1.00 0.00 H ATOM 549 N THR A1042 -3.243 -4.349 10.843 1.00 8.28 N ATOM 550 HN3 THR A1042 -2.868 -3.379 10.849 1.00 0.00 H ATOM 551 HN2 THR A1042 -3.208 -4.742 11.805 1.00 0.00 H ATOM 552 HN1 THR A1042 -4.227 -4.339 10.506 1.00 0.00 H TER 553 THR A1042 ATOM 554 N PHE A1043 -3.277 -4.175 14.364 1.00 8.63 N ATOM 555 CA PHE A1043 -4.145 -4.518 15.491 1.00 6.88 C ATOM 556 C PHE A1043 -3.312 -4.320 16.758 1.00 8.24 C ATOM 557 O PHE A1043 -2.283 -3.637 16.723 1.00 9.45 O ATOM 558 CB PHE A1043 -4.749 -5.930 15.336 1.00 8.45 C ATOM 559 CG PHE A1043 -3.769 -6.993 14.904 1.00 6.12 C ATOM 560 CD1 PHE A1043 -3.345 -7.077 13.590 1.00 10.26 C ATOM 561 CD2 PHE A1043 -3.301 -7.931 15.807 1.00 5.42 C ATOM 562 CE1 PHE A1043 -2.455 -8.065 13.203 1.00 8.13 C ATOM 563 CE2 PHE A1043 -2.421 -8.900 15.433 1.00 10.29 C ATOM 564 CZ PHE A1043 -1.986 -8.965 14.142 1.00 9.62 C ATOM 565 H PHE A1043 -2.249 -4.155 14.521 1.00 0.00 H ATOM 566 N LEU A1044 -3.773 -4.855 17.876 1.00 7.22 N ATOM 567 CA LEU A1044 -3.104 -4.668 19.162 1.00 5.22 C ATOM 568 C LEU A1044 -2.658 -6.002 19.725 1.00 5.69 C ATOM 569 O LEU A1044 -3.162 -7.049 19.351 1.00 7.64 O ATOM 570 CB LEU A1044 -4.013 -4.007 20.188 1.00 8.29 C ATOM 571 CG LEU A1044 -4.501 -2.609 19.819 1.00 5.72 C ATOM 572 CD1 LEU A1044 -5.491 -2.050 20.817 1.00 7.82 C ATOM 573 CD2 LEU A1044 -3.282 -1.670 19.669 1.00 7.85 C ATOM 574 H LEU A1044 -4.640 -5.428 17.839 1.00 0.00 H ATOM 575 N ALA A1045 -1.805 -5.921 20.737 1.00 5.84 N ATOM 576 CA ALA A1045 -1.384 -7.093 21.478 1.00 8.06 C ATOM 577 C ALA A1045 -1.098 -6.655 22.906 1.00 8.62 C ATOM 578 O ALA A1045 -0.611 -5.541 23.129 1.00 9.05 O ATOM 579 CB ALA A1045 -0.164 -7.724 20.825 1.00 8.63 C ATOM 580 H ALA A1045 -1.428 -4.990 21.006 1.00 0.00 H ATOM 581 N THR A1046 -1.435 -7.505 23.869 1.00 7.47 N ATOM 582 CA THR A1046 -1.475 -7.139 25.287 1.00 9.25 C ATOM 583 C THR A1046 -0.684 -8.159 26.116 1.00 6.30 C ATOM 584 O THR A1046 -0.926 -9.368 26.002 1.00 8.03 O ATOM 585 CB THR A1046 -2.918 -7.114 25.795 1.00 9.67 C ATOM 586 OG1 THR A1046 -3.653 -6.118 25.087 1.00 9.20 O ATOM 587 CG2 THR A1046 -2.985 -6.805 27.279 1.00 7.49 C ATOM 588 HG1 THR A1046 -3.646 -6.330 24.120 1.00 0.00 H ATOM 589 H THR A1046 -1.683 -8.479 23.603 1.00 0.00 H ATOM 590 N SER A1047 0.251 -7.683 26.948 1.00 6.61 N ATOM 591 CA SER A1047 1.045 -8.572 27.806 1.00 7.51 C ATOM 592 C SER A1047 0.287 -8.832 29.104 1.00 7.55 C ATOM 593 O SER A1047 -0.104 -7.887 29.793 1.00 10.18 O ATOM 594 CB SER A1047 2.429 -7.988 28.119 1.00 7.98 C ATOM 595 OG SER A1047 3.286 -8.043 26.985 1.00 8.77 O ATOM 596 HG SER A1047 2.885 -7.522 26.245 1.00 0.00 H ATOM 597 H SER A1047 0.419 -6.657 26.988 1.00 0.00 H ATOM 598 N ILE A1048 0.064 -10.113 29.418 1.00 8.26 N ATOM 599 CA ILE A1048 -0.554 -10.552 30.666 1.00 5.87 C ATOM 600 C ILE A1048 0.222 -11.783 31.151 1.00 9.67 C ATOM 601 O ILE A1048 0.415 -12.738 30.387 1.00 8.93 O ATOM 602 CB ILE A1048 -2.042 -10.914 30.458 1.00 5.95 C ATOM 603 CG1 ILE A1048 -2.845 -9.754 29.850 1.00 8.64 C ATOM 604 CG2 ILE A1048 -2.649 -11.417 31.792 1.00 7.60 C ATOM 605 CD1 ILE A1048 -4.237 -10.205 29.307 1.00 9.66 C ATOM 606 H ILE A1048 0.348 -10.841 28.731 1.00 0.00 H ATOM 607 N ASN A1049 0.674 -11.772 32.408 1.00 9.52 N ATOM 608 CA ASN A1049 1.459 -12.898 32.941 1.00 11.90 C ATOM 609 C ASN A1049 2.643 -13.281 32.050 1.00 12.93 C ATOM 610 O ASN A1049 2.967 -14.457 31.905 1.00 14.27 O ATOM 611 CB ASN A1049 0.593 -14.135 33.168 1.00 16.36 C ATOM 612 CG ASN A1049 -0.401 -13.980 34.305 1.00 24.81 C ATOM 613 OD1 ASN A1049 -1.384 -14.727 34.354 1.00 39.86 O ATOM 614 ND2 ASN A1049 -0.188 -13.013 35.183 1.00 24.92 N ATOM 615 HD22 ASN A1049 0.655 -12.410 35.099 1.00 0.00 H ATOM 616 HD21 ASN A1049 -0.864 -12.856 35.957 1.00 0.00 H ATOM 617 H ASN A1049 0.468 -10.956 33.019 1.00 0.00 H ATOM 618 N GLY A1050 3.342 -12.294 31.485 1.00 10.23 N ATOM 619 CA GLY A1050 4.569 -12.650 30.786 1.00 9.09 C ATOM 620 C GLY A1050 4.370 -13.200 29.388 1.00 9.54 C ATOM 621 O GLY A1050 5.327 -13.688 28.780 1.00 8.85 O ATOM 622 H GLY A1050 3.022 -11.306 31.542 1.00 0.00 H ATOM 623 N VAL A1051 3.155 -13.118 28.855 1.00 8.35 N ATOM 624 CA VAL A1051 2.825 -13.539 27.495 1.00 7.67 C ATOM 625 C VAL A1051 2.215 -12.337 26.785 1.00 9.69 C ATOM 626 O VAL A1051 1.374 -11.661 27.362 1.00 7.14 O ATOM 627 CB VAL A1051 1.830 -14.713 27.522 1.00 6.52 C ATOM 628 CG1 VAL A1051 1.448 -15.150 26.128 1.00 6.71 C ATOM 629 CG2 VAL A1051 2.418 -15.878 28.321 1.00 10.26 C ATOM 630 H VAL A1051 2.390 -12.729 29.443 1.00 0.00 H ATOM 631 N LEU A1052 2.679 -12.060 25.566 1.00 6.16 N ATOM 632 CA LEU A1052 2.065 -11.096 24.677 1.00 6.48 C ATOM 633 C LEU A1052 0.990 -11.814 23.861 1.00 6.67 C ATOM 634 O LEU A1052 1.297 -12.688 23.020 1.00 7.60 O ATOM 635 CB LEU A1052 3.130 -10.469 23.790 1.00 5.56 C ATOM 636 CG LEU A1052 2.627 -9.342 22.897 1.00 6.52 C ATOM 637 CD1 LEU A1052 2.215 -8.163 23.734 1.00 9.43 C ATOM 638 CD2 LEU A1052 3.699 -8.985 21.907 1.00 8.37 C ATOM 639 H LEU A1052 3.527 -12.563 25.236 1.00 0.00 H ATOM 640 N TRP A1053 -0.268 -11.484 24.159 1.00 7.01 N ATOM 641 CA TRP A1053 -1.441 -12.097 23.566 1.00 7.22 C ATOM 642 C TRP A1053 -2.046 -11.248 22.460 1.00 6.44 C ATOM 643 O TRP A1053 -2.071 -10.016 22.532 1.00 7.28 O ATOM 644 CB TRP A1053 -2.520 -12.297 24.622 1.00 9.15 C ATOM 645 CG TRP A1053 -2.117 -13.076 25.822 1.00 6.20 C ATOM 646 CD1 TRP A1053 -1.715 -12.577 27.034 1.00 6.31 C ATOM 647 CD2 TRP A1053 -2.136 -14.509 25.960 1.00 6.14 C ATOM 648 NE1 TRP A1053 -1.497 -13.615 27.912 1.00 10.14 N ATOM 649 CE2 TRP A1053 -1.746 -14.806 27.278 1.00 7.80 C ATOM 650 CE3 TRP A1053 -2.450 -15.573 25.093 1.00 7.54 C ATOM 651 CZ2 TRP A1053 -1.636 -16.123 27.744 1.00 13.97 C ATOM 652 CZ3 TRP A1053 -2.344 -16.871 25.572 1.00 8.13 C ATOM 653 CH2 TRP A1053 -1.959 -17.129 26.889 1.00 8.35 C ATOM 654 HE1 TRP A1053 -1.191 -13.512 28.901 1.00 0.00 H ATOM 655 H TRP A1053 -0.418 -10.735 24.865 1.00 0.00 H ATOM 656 N THR A1054 -2.581 -11.919 21.439 1.00 6.38 N ATOM 657 CA THR A1054 -3.383 -11.205 20.459 1.00 5.12 C ATOM 658 C THR A1054 -4.355 -12.186 19.812 1.00 7.42 C ATOM 659 O THR A1054 -4.554 -13.316 20.289 1.00 7.02 O ATOM 660 CB THR A1054 -2.481 -10.485 19.457 1.00 6.32 C ATOM 661 OG1 THR A1054 -3.269 -9.618 18.630 1.00 7.47 O ATOM 662 CG2 THR A1054 -1.751 -11.460 18.584 1.00 10.18 C ATOM 663 HG1 THR A1054 -3.728 -8.949 19.198 1.00 0.00 H ATOM 664 H THR A1054 -2.426 -12.943 21.345 1.00 0.00 H ATOM 665 N VAL A1055 -4.985 -11.750 18.740 1.00 6.79 N ATOM 666 CA VAL A1055 -6.020 -12.544 18.083 1.00 2.66 C ATOM 667 C VAL A1055 -5.470 -13.345 16.911 1.00 6.24 C ATOM 668 O VAL A1055 -4.646 -12.865 16.128 1.00 7.05 O ATOM 669 CB VAL A1055 -7.179 -11.658 17.592 1.00 6.83 C ATOM 670 CG1 VAL A1055 -8.077 -11.302 18.757 1.00 6.18 C ATOM 671 CG2 VAL A1055 -6.657 -10.433 16.867 1.00 6.78 C ATOM 672 H VAL A1055 -4.739 -10.817 18.352 1.00 0.00 H ATOM 673 N TYR A1056 -5.988 -14.559 16.751 1.00 6.98 N ATOM 674 CA TYR A1056 -5.591 -15.381 15.598 1.00 6.21 C ATOM 675 C TYR A1056 -6.008 -14.722 14.276 1.00 7.38 C ATOM 676 O TYR A1056 -5.317 -14.869 13.250 1.00 7.75 O ATOM 677 CB TYR A1056 -6.207 -16.772 15.764 1.00 7.54 C ATOM 678 CG TYR A1056 -5.762 -17.763 14.739 1.00 6.42 C ATOM 679 CD1 TYR A1056 -6.397 -17.865 13.506 1.00 8.57 C ATOM 680 CD2 TYR A1056 -4.707 -18.605 14.999 1.00 9.07 C ATOM 681 CE1 TYR A1056 -5.941 -18.760 12.554 1.00 9.42 C ATOM 682 CE2 TYR A1056 -4.255 -19.491 14.035 1.00 9.91 C ATOM 683 CZ TYR A1056 -4.904 -19.569 12.846 1.00 8.52 C ATOM 684 OH TYR A1056 -4.470 -20.445 11.887 1.00 8.70 O ATOM 685 HH TYR A1056 -5.051 -20.373 11.089 1.00 0.00 H ATOM 686 H TYR A1056 -6.674 -14.927 17.441 1.00 0.00 H ATOM 687 N HIS A1057 -7.140 -14.012 14.254 1.00 7.82 N ATOM 688 CA HIS A1057 -7.574 -13.438 12.961 1.00 8.56 C ATOM 689 C HIS A1057 -6.686 -12.290 12.504 1.00 7.91 C ATOM 690 O HIS A1057 -6.772 -11.874 11.326 1.00 7.88 O ATOM 691 CB HIS A1057 -9.050 -13.016 12.993 1.00 7.77 C ATOM 692 CG HIS A1057 -9.347 -11.743 13.744 1.00 5.86 C ATOM 693 ND1 HIS A1057 -9.808 -11.737 15.048 1.00 5.31 N ATOM 694 CD2 HIS A1057 -9.356 -10.456 13.343 1.00 8.55 C ATOM 695 CE1 HIS A1057 -10.024 -10.498 15.431 1.00 8.07 C ATOM 696 NE2 HIS A1057 -9.752 -9.697 14.417 1.00 6.95 N ATOM 697 H HIS A1057 -7.699 -13.867 15.119 1.00 0.00 H ATOM 698 N GLY A1058 -5.843 -11.784 13.390 1.00 7.33 N ATOM 699 CA GLY A1058 -4.811 -10.827 13.047 1.00 10.54 C ATOM 700 C GLY A1058 -3.479 -11.493 12.726 1.00 10.65 C ATOM 701 O GLY A1058 -2.857 -11.229 11.683 1.00 6.99 O ATOM 702 H GLY A1058 -5.926 -12.088 14.381 1.00 0.00 H ATOM 703 N ALA A1059 -3.024 -12.367 13.624 1.00 9.16 N ATOM 704 CA ALA A1059 -1.673 -12.914 13.534 1.00 4.79 C ATOM 705 C ALA A1059 -1.565 -14.248 12.811 1.00 7.26 C ATOM 706 O ALA A1059 -0.454 -14.638 12.398 1.00 8.20 O ATOM 707 CB ALA A1059 -1.106 -13.147 14.940 1.00 7.62 C ATOM 708 H ALA A1059 -3.644 -12.665 14.404 1.00 0.00 H ATOM 709 N GLY A1060 -2.657 -14.982 12.692 1.00 6.41 N ATOM 710 CA GLY A1060 -2.553 -16.361 12.220 1.00 7.22 C ATOM 711 C GLY A1060 -1.557 -17.085 13.067 1.00 5.95 C ATOM 712 O GLY A1060 -1.466 -16.847 14.264 1.00 6.75 O ATOM 713 H GLY A1060 -3.586 -14.581 12.933 1.00 0.00 H ATOM 714 N THR A1061 -0.737 -17.917 12.411 1.00 7.37 N ATOM 715 CA THR A1061 0.320 -18.677 13.041 1.00 5.05 C ATOM 716 C THR A1061 1.692 -17.964 12.987 1.00 8.80 C ATOM 717 O THR A1061 2.727 -18.607 13.237 1.00 6.90 O ATOM 718 CB THR A1061 0.459 -20.044 12.373 1.00 8.10 C ATOM 719 OG1 THR A1061 0.760 -19.886 10.977 1.00 9.03 O ATOM 720 CG2 THR A1061 -0.810 -20.852 12.537 1.00 7.97 C ATOM 721 HG1 THR A1061 1.610 -19.389 10.878 1.00 0.00 H ATOM 722 H THR A1061 -0.869 -18.023 11.385 1.00 0.00 H ATOM 723 N ARG A1062 1.720 -16.670 12.709 1.00 6.87 N ATOM 724 CA ARG A1062 2.982 -16.005 12.443 1.00 5.86 C ATOM 725 C ARG A1062 3.863 -15.937 13.680 1.00 6.84 C ATOM 726 O ARG A1062 3.394 -15.821 14.812 1.00 7.34 O ATOM 727 CB ARG A1062 2.761 -14.579 11.918 1.00 8.77 C ATOM 728 CG ARG A1062 2.172 -14.492 10.509 1.00 13.00 C ATOM 729 CD ARG A1062 1.856 -13.044 10.185 1.00 11.66 C ATOM 730 NE ARG A1062 0.986 -12.855 9.018 1.00 13.93 N ATOM 731 CZ ARG A1062 1.348 -12.279 7.885 1.00 21.61 C ATOM 732 NH1 ARG A1062 2.593 -11.859 7.656 1.00 23.86 N ATOM 733 NH2 ARG A1062 0.420 -12.127 6.954 1.00 24.02 N ATOM 734 HE ARG A1062 0.008 -13.202 9.088 1.00 0.00 H ATOM 735 HH12 ARG A1062 2.832 -11.411 6.748 1.00 0.00 H ATOM 736 HH11 ARG A1062 3.325 -11.980 8.385 1.00 0.00 H ATOM 737 HH22 ARG A1062 0.662 -11.679 6.047 1.00 0.00 H ATOM 738 HH21 ARG A1062 -0.551 -12.456 7.129 1.00 0.00 H ATOM 739 H ARG A1062 0.833 -16.127 12.681 1.00 0.00 H ATOM 740 N THR A1063 5.165 -15.915 13.421 1.00 8.49 N ATOM 741 CA THR A1063 6.153 -15.529 14.389 1.00 8.62 C ATOM 742 C THR A1063 6.047 -14.042 14.676 1.00 5.73 C ATOM 743 O THR A1063 5.457 -13.288 13.901 1.00 8.63 O ATOM 744 CB THR A1063 7.554 -15.828 13.855 1.00 6.34 C ATOM 745 OG1 THR A1063 7.688 -15.238 12.563 1.00 8.22 O ATOM 746 CG2 THR A1063 7.801 -17.284 13.742 1.00 8.24 C ATOM 747 HG1 THR A1063 7.557 -14.259 12.633 1.00 0.00 H ATOM 748 H THR A1063 5.485 -16.191 12.471 1.00 0.00 H ATOM 749 N ILE A1064 6.668 -13.617 15.785 1.00 6.70 N ATOM 750 CA ILE A1064 6.851 -12.197 16.092 1.00 6.35 C ATOM 751 C ILE A1064 8.325 -11.838 15.946 1.00 8.62 C ATOM 752 O ILE A1064 9.213 -12.643 16.254 1.00 8.64 O ATOM 753 CB ILE A1064 6.321 -11.863 17.501 1.00 6.49 C ATOM 754 CG1 ILE A1064 6.197 -10.348 17.678 1.00 8.42 C ATOM 755 CG2 ILE A1064 7.126 -12.579 18.630 1.00 7.08 C ATOM 756 CD1 ILE A1064 5.382 -10.015 18.862 1.00 10.62 C ATOM 757 H ILE A1064 7.034 -14.324 16.454 1.00 0.00 H ATOM 758 N ALA A1065 8.580 -10.625 15.461 1.00 6.54 N ATOM 759 CA ALA A1065 9.953 -10.176 15.295 1.00 7.65 C ATOM 760 C ALA A1065 10.526 -9.824 16.647 1.00 10.80 C ATOM 761 O ALA A1065 9.823 -9.334 17.542 1.00 11.37 O ATOM 762 CB ALA A1065 10.016 -8.958 14.371 1.00 9.93 C ATOM 763 H ALA A1065 7.794 -9.996 15.200 1.00 0.00 H ATOM 764 N SER A1066 11.821 -10.074 16.796 1.00 9.26 N ATOM 765 CA SER A1066 12.463 -10.002 18.090 1.00 11.51 C ATOM 766 C SER A1066 13.941 -9.676 17.871 1.00 11.67 C ATOM 767 O SER A1066 14.473 -9.884 16.778 1.00 10.84 O ATOM 768 CB SER A1066 12.245 -11.342 18.807 1.00 17.41 C ATOM 769 OG SER A1066 13.280 -11.709 19.629 1.00 26.01 O ATOM 770 HG SER A1066 13.070 -12.578 20.055 1.00 0.00 H ATOM 771 H SER A1066 12.388 -10.328 15.962 1.00 0.00 H ATOM 772 N PRO A1067 14.641 -9.231 18.898 1.00 12.04 N ATOM 773 CA PRO A1067 16.036 -8.807 18.663 1.00 14.05 C ATOM 774 C PRO A1067 16.923 -9.880 18.060 1.00 16.85 C ATOM 775 O PRO A1067 17.870 -9.561 17.335 1.00 22.23 O ATOM 776 CB PRO A1067 16.504 -8.400 20.066 1.00 15.27 C ATOM 777 CG PRO A1067 15.252 -7.937 20.726 1.00 19.79 C ATOM 778 CD PRO A1067 14.228 -8.954 20.288 1.00 14.18 C ATOM 779 N LYS A1068 16.637 -11.146 18.320 1.00 15.83 N ATOM 780 CA LYS A1068 17.503 -12.234 17.902 1.00 22.07 C ATOM 781 C LYS A1068 16.886 -13.056 16.777 1.00 21.87 C ATOM 782 O LYS A1068 17.398 -14.117 16.436 1.00 23.22 O ATOM 783 CB LYS A1068 17.814 -13.110 19.116 1.00 25.75 C ATOM 784 CG LYS A1068 18.611 -12.374 20.197 1.00 27.98 C ATOM 785 CD LYS A1068 18.323 -12.973 21.582 1.00 43.79 C ATOM 786 CE LYS A1068 18.945 -14.365 21.696 1.00 36.18 C ATOM 787 NZ LYS A1068 18.565 -15.084 22.908 1.00 18.87 N ATOM 788 HZ1 LYS A1068 18.869 -14.541 23.741 1.00 0.00 H ATOM 789 HZ2 LYS A1068 17.532 -15.205 22.929 1.00 0.00 H ATOM 790 HZ3 LYS A1068 19.024 -16.017 22.915 1.00 0.00 H ATOM 791 H LYS A1068 15.764 -11.368 18.840 1.00 0.00 H ATOM 792 N GLY A1069 15.833 -12.556 16.156 1.00 15.12 N ATOM 793 CA GLY A1069 15.179 -13.257 15.083 1.00 12.36 C ATOM 794 C GLY A1069 13.765 -13.642 15.460 1.00 14.76 C ATOM 795 O GLY A1069 13.288 -13.392 16.564 1.00 11.66 O ATOM 796 H GLY A1069 15.466 -11.629 16.451 1.00 0.00 H ATOM 797 N PRO A1070 13.085 -14.295 14.544 1.00 9.95 N ATOM 798 CA PRO A1070 11.661 -14.581 14.761 1.00 12.50 C ATOM 799 C PRO A1070 11.438 -15.548 15.915 1.00 15.08 C ATOM 800 O PRO A1070 12.232 -16.469 16.163 1.00 13.12 O ATOM 801 CB PRO A1070 11.201 -15.180 13.433 1.00 15.59 C ATOM 802 CG PRO A1070 12.426 -15.529 12.674 1.00 14.79 C ATOM 803 CD PRO A1070 13.568 -14.689 13.214 1.00 11.82 C ATOM 804 N VAL A1071 10.351 -15.320 16.634 1.00 9.85 N ATOM 805 CA VAL A1071 9.972 -16.114 17.799 1.00 7.94 C ATOM 806 C VAL A1071 8.631 -16.788 17.516 1.00 8.75 C ATOM 807 O VAL A1071 7.657 -16.119 17.141 1.00 8.21 O ATOM 808 CB VAL A1071 9.898 -15.243 19.068 1.00 10.64 C ATOM 809 CG1 VAL A1071 9.220 -15.963 20.239 1.00 12.07 C ATOM 810 CG2 VAL A1071 11.303 -14.792 19.510 1.00 12.58 C ATOM 811 H VAL A1071 9.733 -14.532 16.354 1.00 0.00 H ATOM 812 N THR A1072 8.588 -18.110 17.703 1.00 12.62 N ATOM 813 CA THR A1072 7.391 -18.907 17.441 1.00 9.73 C ATOM 814 C THR A1072 6.352 -18.737 18.551 1.00 7.63 C ATOM 815 O THR A1072 6.687 -18.563 19.726 1.00 9.25 O ATOM 816 CB THR A1072 7.794 -20.378 17.308 1.00 8.81 C ATOM 817 OG1 THR A1072 8.704 -20.505 16.211 1.00 11.00 O ATOM 818 CG2 THR A1072 6.548 -21.319 17.078 1.00 12.09 C ATOM 819 HG1 THR A1072 8.261 -20.200 15.380 1.00 0.00 H ATOM 820 H THR A1072 9.442 -18.592 18.049 1.00 0.00 H ATOM 821 N GLN A1073 5.081 -18.726 18.158 1.00 7.71 N ATOM 822 CA GLN A1073 4.017 -18.693 19.139 1.00 5.60 C ATOM 823 C GLN A1073 4.231 -19.786 20.168 1.00 7.52 C ATOM 824 O GLN A1073 4.612 -20.922 19.823 1.00 9.49 O ATOM 825 CB GLN A1073 2.674 -18.885 18.441 1.00 6.18 C ATOM 826 CG GLN A1073 2.297 -17.670 17.654 1.00 5.47 C ATOM 827 CD GLN A1073 1.002 -17.792 16.865 1.00 6.18 C ATOM 828 OE1 GLN A1073 0.182 -18.684 17.084 1.00 8.28 O ATOM 829 NE2 GLN A1073 0.818 -16.879 15.956 1.00 6.95 N ATOM 830 HE22 GLN A1073 1.538 -16.144 15.805 1.00 0.00 H ATOM 831 HE21 GLN A1073 -0.049 -16.885 15.381 1.00 0.00 H ATOM 832 H GLN A1073 4.851 -18.741 17.144 1.00 0.00 H ATOM 833 N MET A1074 3.968 -19.461 21.433 1.00 8.50 N ATOM 834 CA MET A1074 3.921 -20.505 22.446 1.00 7.31 C ATOM 835 C MET A1074 2.490 -20.948 22.754 1.00 8.98 C ATOM 836 O MET A1074 2.294 -22.012 23.355 1.00 8.42 O ATOM 837 CB MET A1074 4.625 -20.057 23.728 1.00 11.53 C ATOM 838 CG MET A1074 4.211 -18.751 24.323 1.00 11.33 C ATOM 839 SD MET A1074 4.855 -18.572 26.041 1.00 9.86 S ATOM 840 CE MET A1074 6.600 -18.852 25.852 1.00 10.24 C ATOM 841 H MET A1074 3.798 -18.469 21.695 1.00 0.00 H ATOM 842 N TYR A1075 1.490 -20.161 22.336 1.00 6.52 N ATOM 843 CA TYR A1075 0.097 -20.553 22.389 1.00 8.42 C ATOM 844 C TYR A1075 -0.579 -20.246 21.068 1.00 6.17 C ATOM 845 O TYR A1075 -0.386 -19.167 20.509 1.00 8.93 O ATOM 846 CB TYR A1075 -0.672 -19.829 23.465 1.00 7.35 C ATOM 847 CG TYR A1075 -0.028 -19.944 24.853 1.00 8.97 C ATOM 848 CD1 TYR A1075 -0.135 -21.105 25.590 1.00 12.09 C ATOM 849 CD2 TYR A1075 0.707 -18.901 25.384 1.00 7.85 C ATOM 850 CE1 TYR A1075 0.460 -21.224 26.847 1.00 10.95 C ATOM 851 CE2 TYR A1075 1.292 -19.000 26.615 1.00 6.43 C ATOM 852 CZ TYR A1075 1.174 -20.160 27.359 1.00 9.50 C ATOM 853 OH TYR A1075 1.779 -20.245 28.585 1.00 10.16 O ATOM 854 HH TYR A1075 1.597 -21.134 28.981 1.00 0.00 H ATOM 855 H TYR A1075 1.726 -19.223 21.955 1.00 0.00 H ATOM 856 N THR A1076 -1.458 -21.148 20.637 1.00 5.93 N ATOM 857 CA THR A1076 -2.260 -20.933 19.432 1.00 6.74 C ATOM 858 C THR A1076 -3.578 -21.630 19.674 1.00 8.51 C ATOM 859 O THR A1076 -3.573 -22.840 19.943 1.00 8.53 O ATOM 860 CB THR A1076 -1.597 -21.514 18.182 1.00 7.97 C ATOM 861 OG1 THR A1076 -0.200 -21.169 18.141 1.00 8.67 O ATOM 862 CG2 THR A1076 -2.293 -21.014 16.932 1.00 8.44 C ATOM 863 HG1 THR A1076 0.252 -21.533 18.943 1.00 0.00 H ATOM 864 H THR A1076 -1.578 -22.031 21.172 1.00 0.00 H ATOM 865 N ASN A1077 -4.685 -20.883 19.642 1.00 9.06 N ATOM 866 CA ASN A1077 -6.007 -21.508 19.814 1.00 6.81 C ATOM 867 C ASN A1077 -7.000 -20.844 18.865 1.00 7.59 C ATOM 868 O ASN A1077 -7.706 -19.894 19.231 1.00 10.07 O ATOM 869 CB ASN A1077 -6.499 -21.462 21.246 1.00 9.72 C ATOM 870 CG ASN A1077 -7.748 -22.295 21.408 1.00 9.84 C ATOM 871 OD1 ASN A1077 -8.502 -22.433 20.482 1.00 8.72 O ATOM 872 ND2 ASN A1077 -7.966 -22.829 22.563 1.00 17.46 N ATOM 873 HD22 ASN A1077 -7.288 -22.685 23.339 1.00 0.00 H ATOM 874 HD21 ASN A1077 -8.819 -23.403 22.718 1.00 0.00 H ATOM 875 H ASN A1077 -4.613 -19.856 19.495 1.00 0.00 H ATOM 876 N VAL A1078 -7.145 -21.430 17.682 1.00 6.85 N ATOM 877 CA VAL A1078 -8.035 -20.888 16.664 1.00 6.85 C ATOM 878 C VAL A1078 -9.464 -20.912 17.155 1.00 9.82 C ATOM 879 O VAL A1078 -10.271 -20.057 16.763 1.00 7.13 O ATOM 880 CB VAL A1078 -7.916 -21.673 15.337 1.00 7.74 C ATOM 881 CG1 VAL A1078 -8.453 -23.080 15.486 1.00 11.53 C ATOM 882 CG2 VAL A1078 -8.654 -20.953 14.187 1.00 11.83 C ATOM 883 H VAL A1078 -6.610 -22.298 17.477 1.00 0.00 H ATOM 884 N ASP A1079 -9.800 -21.871 18.037 1.00 10.71 N ATOM 885 CA ASP A1079 -11.185 -21.969 18.514 1.00 11.23 C ATOM 886 C ASP A1079 -11.559 -20.797 19.409 1.00 15.49 C ATOM 887 O ASP A1079 -12.750 -20.480 19.550 1.00 14.92 O ATOM 888 CB ASP A1079 -11.395 -23.295 19.286 1.00 10.65 C ATOM 889 CG ASP A1079 -11.268 -24.510 18.405 1.00 13.30 C ATOM 890 OD1 ASP A1079 -11.709 -24.429 17.245 1.00 13.99 O ATOM 891 OD2 ASP A1079 -10.741 -25.540 18.880 1.00 13.13 O ATOM 892 H ASP A1079 -9.081 -22.540 18.379 1.00 0.00 H ATOM 893 N LYS A1080 -10.578 -20.164 20.023 1.00 6.82 N ATOM 894 CA LYS A1080 -10.796 -18.975 20.835 1.00 8.07 C ATOM 895 C LYS A1080 -10.337 -17.709 20.135 1.00 9.01 C ATOM 896 O LYS A1080 -10.436 -16.633 20.720 1.00 9.42 O ATOM 897 CB LYS A1080 -10.046 -19.088 22.162 1.00 9.19 C ATOM 898 CG LYS A1080 -10.512 -20.205 23.122 1.00 18.90 C ATOM 899 CD LYS A1080 -9.561 -20.250 24.358 1.00 18.74 C ATOM 900 CE LYS A1080 -9.912 -21.347 25.350 1.00 29.67 C ATOM 901 NZ LYS A1080 -8.901 -21.410 26.502 1.00 20.42 N ATOM 902 HZ1 LYS A1080 -7.953 -21.603 26.120 1.00 0.00 H ATOM 903 HZ2 LYS A1080 -8.894 -20.500 27.006 1.00 0.00 H ATOM 904 HZ3 LYS A1080 -9.172 -22.169 27.159 1.00 0.00 H ATOM 905 H LYS A1080 -9.609 -20.529 19.923 1.00 0.00 H ATOM 906 N ASP A1081 -9.814 -17.813 18.921 1.00 9.54 N ATOM 907 CA ASP A1081 -9.244 -16.675 18.215 1.00 9.53 C ATOM 908 C ASP A1081 -8.096 -16.055 18.993 1.00 8.77 C ATOM 909 O ASP A1081 -7.936 -14.828 19.002 1.00 7.40 O ATOM 910 CB ASP A1081 -10.315 -15.629 17.930 1.00 6.78 C ATOM 911 CG ASP A1081 -9.898 -14.626 16.892 1.00 7.33 C ATOM 912 OD1 ASP A1081 -8.930 -14.900 16.130 1.00 7.97 O ATOM 913 OD2 ASP A1081 -10.560 -13.539 16.816 1.00 8.54 O ATOM 914 H ASP A1081 -9.811 -18.743 18.456 1.00 0.00 H ATOM 915 N LEU A1082 -7.234 -16.920 19.582 1.00 5.41 N ATOM 916 CA LEU A1082 -6.209 -16.481 20.525 1.00 9.05 C ATOM 917 C LEU A1082 -4.828 -17.011 20.170 1.00 8.02 C ATOM 918 O LEU A1082 -4.683 -18.190 19.842 1.00 10.41 O ATOM 919 CB LEU A1082 -6.554 -16.960 21.903 1.00 8.30 C ATOM 920 CG LEU A1082 -5.609 -16.601 23.054 1.00 7.97 C ATOM 921 CD1 LEU A1082 -5.654 -15.108 23.421 1.00 10.43 C ATOM 922 CD2 LEU A1082 -5.990 -17.476 24.257 1.00 15.64 C ATOM 923 H LEU A1082 -7.305 -17.932 19.354 1.00 0.00 H ATOM 924 N VAL A1083 -3.805 -16.142 20.247 1.00 5.73 N ATOM 925 CA VAL A1083 -2.419 -16.594 20.139 1.00 9.88 C ATOM 926 C VAL A1083 -1.583 -15.858 21.184 1.00 8.48 C ATOM 927 O VAL A1083 -1.972 -14.815 21.713 1.00 7.51 O ATOM 928 CB VAL A1083 -1.834 -16.374 18.728 1.00 10.52 C ATOM 929 CG1 VAL A1083 -2.747 -16.937 17.637 1.00 10.21 C ATOM 930 CG2 VAL A1083 -1.539 -14.952 18.493 1.00 12.64 C ATOM 931 H VAL A1083 -4.003 -15.131 20.386 1.00 0.00 H ATOM 932 N GLY A1084 -0.386 -16.354 21.398 1.00 6.38 N ATOM 933 CA GLY A1084 0.496 -15.706 22.337 1.00 6.34 C ATOM 934 C GLY A1084 1.927 -16.081 22.077 1.00 7.81 C ATOM 935 O GLY A1084 2.229 -17.199 21.658 1.00 5.80 O ATOM 936 H GLY A1084 -0.076 -17.209 20.893 1.00 0.00 H ATOM 937 N TRP A1085 2.811 -15.135 22.376 1.00 7.54 N ATOM 938 CA TRP A1085 4.247 -15.313 22.353 1.00 6.00 C ATOM 939 C TRP A1085 4.825 -14.896 23.704 1.00 7.29 C ATOM 940 O TRP A1085 4.261 -14.076 24.429 1.00 7.47 O ATOM 941 CB TRP A1085 4.922 -14.440 21.302 1.00 4.48 C ATOM 942 CG TRP A1085 4.411 -14.439 19.869 1.00 6.07 C ATOM 943 CD1 TRP A1085 4.846 -15.208 18.850 1.00 8.41 C ATOM 944 CD2 TRP A1085 3.416 -13.566 19.318 1.00 7.07 C ATOM 945 NE1 TRP A1085 4.171 -14.883 17.669 1.00 7.44 N ATOM 946 CE2 TRP A1085 3.285 -13.882 17.945 1.00 6.64 C ATOM 947 CE3 TRP A1085 2.630 -12.548 19.846 1.00 8.18 C ATOM 948 CZ2 TRP A1085 2.398 -13.233 17.115 1.00 7.44 C ATOM 949 CZ3 TRP A1085 1.736 -11.906 19.001 1.00 7.54 C ATOM 950 CH2 TRP A1085 1.637 -12.241 17.660 1.00 5.77 C ATOM 951 HE1 TRP A1085 4.319 -15.327 16.740 1.00 0.00 H ATOM 952 H TRP A1085 2.445 -14.200 22.646 1.00 0.00 H ATOM 953 N GLN A1086 6.000 -15.403 24.013 1.00 8.35 N ATOM 954 CA GLN A1086 6.721 -14.910 25.181 1.00 9.40 C ATOM 955 C GLN A1086 6.805 -13.389 25.129 1.00 8.39 C ATOM 956 O GLN A1086 7.065 -12.804 24.079 1.00 10.45 O ATOM 957 CB GLN A1086 8.126 -15.527 25.246 1.00 10.26 C ATOM 958 CG GLN A1086 9.020 -15.203 24.070 1.00 8.32 C ATOM 959 CD GLN A1086 9.947 -16.368 23.676 1.00 13.32 C ATOM 960 OE1 GLN A1086 9.524 -17.486 23.458 1.00 13.59 O ATOM 961 NE2 GLN A1086 11.230 -16.076 23.613 1.00 18.15 N ATOM 962 HE22 GLN A1086 11.553 -15.106 23.807 1.00 0.00 H ATOM 963 HE21 GLN A1086 11.920 -16.815 23.370 1.00 0.00 H ATOM 964 H GLN A1086 6.414 -16.154 23.425 1.00 0.00 H ATOM 965 N ALA A1087 6.567 -12.738 26.269 1.00 8.70 N ATOM 966 CA ALA A1087 6.517 -11.291 26.237 1.00 8.40 C ATOM 967 C ALA A1087 7.897 -10.708 25.952 1.00 8.80 C ATOM 968 O ALA A1087 8.897 -11.188 26.470 1.00 10.09 O ATOM 969 CB ALA A1087 5.969 -10.716 27.543 1.00 6.66 C ATOM 970 H ALA A1087 6.421 -13.257 27.158 1.00 0.00 H ATOM 971 N PRO A1088 7.972 -9.670 25.124 1.00 8.95 N ATOM 972 CA PRO A1088 9.271 -9.077 24.774 1.00 10.73 C ATOM 973 C PRO A1088 9.985 -8.485 25.961 1.00 12.93 C ATOM 974 O PRO A1088 9.371 -7.868 26.824 1.00 13.67 O ATOM 975 CB PRO A1088 8.897 -7.956 23.789 1.00 13.85 C ATOM 976 CG PRO A1088 7.578 -8.199 23.375 1.00 16.63 C ATOM 977 CD PRO A1088 6.878 -9.108 24.330 1.00 15.03 C ATOM 978 N GLN A1089 11.310 -8.602 25.958 1.00 10.71 N ATOM 979 CA GLN A1089 12.094 -7.938 26.977 1.00 12.15 C ATOM 980 C GLN A1089 11.819 -6.445 26.933 1.00 14.86 C ATOM 981 O GLN A1089 11.826 -5.826 25.868 1.00 15.32 O ATOM 982 CB GLN A1089 13.590 -8.223 26.777 1.00 20.82 C ATOM 983 CG GLN A1089 13.979 -9.653 27.177 1.00 33.96 C ATOM 984 CD GLN A1089 13.771 -9.968 28.691 1.00 42.57 C ATOM 985 OE1 GLN A1089 12.857 -10.743 29.100 1.00 31.28 O ATOM 986 NE2 GLN A1089 14.610 -9.344 29.524 1.00 39.39 N ATOM 987 HE22 GLN A1089 15.347 -8.716 29.145 1.00 0.00 H ATOM 988 HE21 GLN A1089 14.526 -9.487 30.551 1.00 0.00 H ATOM 989 H GLN A1089 11.781 -9.169 25.225 1.00 0.00 H ATOM 990 N GLY A1090 11.517 -5.885 28.088 1.00 15.33 N ATOM 991 CA GLY A1090 11.208 -4.486 28.225 1.00 18.71 C ATOM 992 C GLY A1090 9.732 -4.222 28.374 1.00 11.39 C ATOM 993 O GLY A1090 9.347 -3.203 28.927 1.00 13.35 O ATOM 994 H GLY A1090 11.501 -6.482 28.939 1.00 0.00 H ATOM 995 N SER A1091 8.896 -5.107 27.868 1.00 12.87 N ATOM 996 CA SER A1091 7.473 -4.942 28.101 1.00 9.89 C ATOM 997 C SER A1091 7.169 -5.095 29.596 1.00 13.73 C ATOM 998 O SER A1091 7.985 -5.577 30.383 1.00 13.12 O ATOM 999 CB SER A1091 6.685 -5.963 27.280 1.00 15.32 C ATOM 1000 OG SER A1091 6.965 -7.278 27.713 1.00 12.64 O ATOM 1001 HG SER A1091 7.932 -7.460 27.607 1.00 0.00 H ATOM 1002 H SER A1091 9.251 -5.910 27.311 1.00 0.00 H ATOM 1003 N ARG A1092 5.957 -4.703 29.969 1.00 10.14 N ATOM 1004 CA ARG A1092 5.431 -4.874 31.308 1.00 11.11 C ATOM 1005 C ARG A1092 4.113 -5.612 31.141 1.00 13.43 C ATOM 1006 O ARG A1092 3.458 -5.496 30.097 1.00 11.90 O ATOM 1007 CB ARG A1092 5.277 -3.500 32.006 1.00 20.60 C ATOM 1008 CG ARG A1092 4.610 -3.511 33.359 1.00 40.50 C ATOM 1009 CD ARG A1092 4.318 -2.089 33.806 1.00 49.33 C ATOM 1010 NE ARG A1092 5.537 -1.282 33.804 1.00 63.55 N ATOM 1011 CZ ARG A1092 6.346 -1.129 34.851 1.00 67.11 C ATOM 1012 NH1 ARG A1092 7.439 -0.382 34.741 1.00 55.98 N ATOM 1013 NH2 ARG A1092 6.068 -1.718 36.008 1.00 75.29 N ATOM 1014 HE ARG A1092 5.791 -0.792 32.922 1.00 0.00 H ATOM 1015 HH12 ARG A1092 8.071 -0.262 35.558 1.00 0.00 H ATOM 1016 HH11 ARG A1092 7.662 0.083 33.838 1.00 0.00 H ATOM 1017 HH22 ARG A1092 6.705 -1.594 36.821 1.00 0.00 H ATOM 1018 HH21 ARG A1092 5.214 -2.304 36.101 1.00 0.00 H ATOM 1019 H ARG A1092 5.350 -4.247 29.259 1.00 0.00 H ATOM 1020 N SER A1093 3.761 -6.439 32.123 1.00 10.10 N ATOM 1021 CA SER A1093 2.598 -7.306 32.009 1.00 9.12 C ATOM 1022 C SER A1093 1.485 -6.800 32.907 1.00 11.15 C ATOM 1023 O SER A1093 1.744 -6.360 34.040 1.00 9.20 O ATOM 1024 CB SER A1093 2.924 -8.744 32.405 1.00 14.42 C ATOM 1025 OG SER A1093 3.292 -9.501 31.286 1.00 14.91 O ATOM 1026 HG SER A1093 4.092 -9.098 30.865 1.00 0.00 H ATOM 1027 H SER A1093 4.331 -6.466 32.993 1.00 0.00 H ATOM 1028 N LEU A1094 0.249 -6.905 32.417 1.00 9.20 N ATOM 1029 CA LEU A1094 -0.918 -6.730 33.271 1.00 9.58 C ATOM 1030 C LEU A1094 -1.133 -7.967 34.144 1.00 9.84 C ATOM 1031 O LEU A1094 -0.790 -9.087 33.773 1.00 11.82 O ATOM 1032 CB LEU A1094 -2.178 -6.483 32.447 1.00 9.71 C ATOM 1033 CG LEU A1094 -2.184 -5.223 31.598 1.00 11.59 C ATOM 1034 CD1 LEU A1094 -3.335 -5.306 30.618 1.00 12.40 C ATOM 1035 CD2 LEU A1094 -2.289 -3.970 32.451 1.00 15.25 C ATOM 1036 H LEU A1094 0.116 -7.116 31.407 1.00 0.00 H ATOM 1037 N THR A1095 -1.747 -7.750 35.280 1.00 9.52 N ATOM 1038 CA THR A1095 -2.113 -8.819 36.200 1.00 9.05 C ATOM 1039 C THR A1095 -3.543 -9.283 35.948 1.00 8.58 C ATOM 1040 O THR A1095 -4.448 -8.450 35.812 1.00 11.00 O ATOM 1041 CB THR A1095 -1.990 -8.367 37.635 1.00 16.49 C ATOM 1042 OG1 THR A1095 -0.640 -7.969 37.877 1.00 20.97 O ATOM 1043 CG2 THR A1095 -2.344 -9.526 38.581 1.00 18.97 C ATOM 1044 HG1 THR A1095 -0.402 -7.225 37.268 1.00 0.00 H ATOM 1045 H THR A1095 -1.984 -6.771 35.537 1.00 0.00 H ATOM 1046 N PRO A1096 -3.776 -10.583 35.890 1.00 9.93 N ATOM 1047 CA PRO A1096 -5.136 -11.079 35.679 1.00 8.91 C ATOM 1048 C PRO A1096 -6.050 -10.661 36.826 1.00 11.40 C ATOM 1049 O PRO A1096 -5.698 -10.774 37.995 1.00 10.66 O ATOM 1050 CB PRO A1096 -4.950 -12.595 35.616 1.00 12.20 C ATOM 1051 CG PRO A1096 -3.505 -12.785 35.300 1.00 19.34 C ATOM 1052 CD PRO A1096 -2.778 -11.665 35.887 1.00 14.33 C ATOM 1053 N CYS A1097 -7.243 -10.190 36.474 1.00 11.91 N ATOM 1054 CA CYS A1097 -8.182 -9.655 37.456 1.00 9.48 C ATOM 1055 C CYS A1097 -8.832 -10.766 38.275 1.00 12.38 C ATOM 1056 O CYS A1097 -9.292 -11.787 37.734 1.00 12.55 O ATOM 1057 CB CYS A1097 -9.276 -8.846 36.756 1.00 11.64 C ATOM 1058 SG CYS A1097 -10.456 -8.087 37.930 1.00 9.63 S ATOM 1059 H CYS A1097 -7.515 -10.203 35.470 1.00 0.00 H ATOM 1060 N THR A1098 -8.881 -10.543 39.589 1.00 9.95 N ATOM 1061 CA THR A1098 -9.586 -11.415 40.517 1.00 13.14 C ATOM 1062 C THR A1098 -10.635 -10.649 41.316 1.00 13.05 C ATOM 1063 O THR A1098 -11.107 -11.154 42.333 1.00 13.69 O ATOM 1064 CB THR A1098 -8.603 -12.104 41.481 1.00 12.16 C ATOM 1065 OG1 THR A1098 -8.004 -11.123 42.320 1.00 16.57 O ATOM 1066 CG2 THR A1098 -7.514 -12.820 40.730 1.00 15.43 C ATOM 1067 HG1 THR A1098 -8.708 -10.659 42.839 1.00 0.00 H ATOM 1068 H THR A1098 -8.393 -9.707 39.968 1.00 0.00 H ATOM 1069 N CYS A1099 -11.034 -9.455 40.849 1.00 9.44 N ATOM 1070 CA CYS A1099 -11.970 -8.598 41.570 1.00 11.04 C ATOM 1071 C CYS A1099 -13.411 -9.065 41.463 1.00 15.56 C ATOM 1072 O CYS A1099 -14.235 -8.703 42.326 1.00 10.74 O ATOM 1073 CB CYS A1099 -11.877 -7.145 41.024 1.00 10.36 C ATOM 1074 SG CYS A1099 -10.273 -6.367 41.251 1.00 10.60 S ATOM 1075 H CYS A1099 -10.661 -9.127 39.935 1.00 0.00 H ATOM 1076 N GLY A1100 -13.757 -9.817 40.420 1.00 12.29 N ATOM 1077 CA GLY A1100 -15.151 -10.204 40.253 1.00 12.07 C ATOM 1078 C GLY A1100 -16.079 -9.036 39.987 1.00 13.72 C ATOM 1079 O GLY A1100 -17.271 -9.145 40.283 1.00 15.82 O ATOM 1080 H GLY A1100 -13.040 -10.124 39.732 1.00 0.00 H ATOM 1081 N SER A1101 -15.551 -7.942 39.411 1.00 11.19 N ATOM 1082 CA SER A1101 -16.191 -6.639 39.173 1.00 15.60 C ATOM 1083 C SER A1101 -16.637 -6.568 37.718 1.00 16.36 C ATOM 1084 O SER A1101 -15.925 -7.063 36.848 1.00 12.72 O ATOM 1085 CB SER A1101 -15.178 -5.480 39.422 1.00 15.97 C ATOM 1086 OG SER A1101 -15.514 -4.204 38.718 1.00 23.24 O ATOM 1087 HG SER A1101 -16.400 -3.884 39.022 1.00 0.00 H ATOM 1088 H SER A1101 -14.564 -8.028 39.093 1.00 0.00 H ATOM 1089 N SER A1102 -17.779 -5.922 37.456 1.00 11.57 N ATOM 1090 CA SER A1102 -18.325 -5.841 36.100 1.00 8.39 C ATOM 1091 C SER A1102 -18.248 -4.449 35.488 1.00 10.13 C ATOM 1092 O SER A1102 -18.807 -4.228 34.408 1.00 7.97 O ATOM 1093 CB SER A1102 -19.767 -6.334 36.102 1.00 11.58 C ATOM 1094 OG SER A1102 -19.763 -7.705 36.310 1.00 11.81 O ATOM 1095 HG SER A1102 -19.336 -7.904 37.181 1.00 0.00 H ATOM 1096 H SER A1102 -18.293 -5.465 38.236 1.00 0.00 H ATOM 1097 N ASP A1103 -17.531 -3.518 36.109 1.00 8.85 N ATOM 1098 CA ASP A1103 -17.351 -2.198 35.517 1.00 7.88 C ATOM 1099 C ASP A1103 -15.980 -2.242 34.850 1.00 13.36 C ATOM 1100 O ASP A1103 -14.947 -2.276 35.529 1.00 12.66 O ATOM 1101 CB ASP A1103 -17.483 -1.115 36.562 1.00 8.20 C ATOM 1102 CG ASP A1103 -18.910 -1.002 37.096 1.00 10.63 C ATOM 1103 OD1 ASP A1103 -19.877 -1.262 36.324 1.00 8.22 O ATOM 1104 OD2 ASP A1103 -19.073 -0.645 38.280 1.00 11.14 O ATOM 1105 H ASP A1103 -17.093 -3.734 37.028 1.00 0.00 H ATOM 1106 N LEU A1104 -15.983 -2.327 33.525 1.00 8.82 N ATOM 1107 CA LEU A1104 -14.749 -2.495 32.771 1.00 7.51 C ATOM 1108 C LEU A1104 -14.450 -1.297 31.886 1.00 11.48 C ATOM 1109 O LEU A1104 -15.277 -0.397 31.692 1.00 9.32 O ATOM 1110 CB LEU A1104 -14.813 -3.718 31.869 1.00 10.69 C ATOM 1111 CG LEU A1104 -15.418 -4.974 32.521 1.00 10.57 C ATOM 1112 CD1 LEU A1104 -15.443 -6.101 31.527 1.00 10.75 C ATOM 1113 CD2 LEU A1104 -14.616 -5.373 33.705 1.00 9.89 C ATOM 1114 H LEU A1104 -16.887 -2.272 33.014 1.00 0.00 H ATOM 1115 N TYR A1105 -13.242 -1.338 31.309 1.00 7.66 N ATOM 1116 CA TYR A1105 -12.721 -0.277 30.457 1.00 9.36 C ATOM 1117 C TYR A1105 -11.961 -0.880 29.288 1.00 10.17 C ATOM 1118 O TYR A1105 -11.000 -1.637 29.496 1.00 9.85 O ATOM 1119 CB TYR A1105 -11.799 0.654 31.276 1.00 6.87 C ATOM 1120 CG TYR A1105 -12.594 1.183 32.456 1.00 9.64 C ATOM 1121 CD1 TYR A1105 -12.611 0.496 33.674 1.00 10.19 C ATOM 1122 CD2 TYR A1105 -13.381 2.320 32.317 1.00 9.58 C ATOM 1123 CE1 TYR A1105 -13.405 0.928 34.730 1.00 14.03 C ATOM 1124 CE2 TYR A1105 -14.179 2.762 33.356 1.00 12.12 C ATOM 1125 CZ TYR A1105 -14.183 2.065 34.560 1.00 17.36 C ATOM 1126 OH TYR A1105 -14.984 2.517 35.583 1.00 20.52 O ATOM 1127 HH TYR A1105 -15.929 2.513 35.287 1.00 0.00 H ATOM 1128 H TYR A1105 -12.644 -2.172 31.478 1.00 0.00 H ATOM 1129 N LEU A1106 -12.404 -0.580 28.069 1.00 5.66 N ATOM 1130 CA LEU A1106 -11.717 -1.035 26.872 1.00 6.37 C ATOM 1131 C LEU A1106 -10.780 0.038 26.358 1.00 8.44 C ATOM 1132 O LEU A1106 -11.158 1.205 26.277 1.00 11.51 O ATOM 1133 CB LEU A1106 -12.708 -1.374 25.771 1.00 5.67 C ATOM 1134 CG LEU A1106 -12.176 -1.807 24.399 1.00 8.73 C ATOM 1135 CD1 LEU A1106 -11.512 -3.147 24.410 1.00 13.36 C ATOM 1136 CD2 LEU A1106 -13.364 -1.933 23.507 1.00 16.96 C ATOM 1137 H LEU A1106 -13.265 -0.005 27.971 1.00 0.00 H ATOM 1138 N VAL A1107 -9.572 -0.367 25.991 1.00 7.53 N ATOM 1139 CA VAL A1107 -8.546 0.531 25.485 1.00 6.74 C ATOM 1140 C VAL A1107 -8.379 0.276 23.996 1.00 11.02 C ATOM 1141 O VAL A1107 -8.048 -0.845 23.586 1.00 9.92 O ATOM 1142 CB VAL A1107 -7.213 0.340 26.223 1.00 12.05 C ATOM 1143 CG1 VAL A1107 -6.182 1.325 25.649 1.00 14.74 C ATOM 1144 CG2 VAL A1107 -7.388 0.591 27.717 1.00 10.64 C ATOM 1145 H VAL A1107 -9.346 -1.379 26.069 1.00 0.00 H ATOM 1146 N THR A1108 -8.574 1.309 23.182 1.00 10.19 N ATOM 1147 CA THR A1108 -8.449 1.155 21.739 1.00 7.59 C ATOM 1148 C THR A1108 -7.068 1.545 21.231 1.00 8.53 C ATOM 1149 O THR A1108 -6.229 2.086 21.961 1.00 8.05 O ATOM 1150 CB THR A1108 -9.470 1.992 20.991 1.00 10.80 C ATOM 1151 OG1 THR A1108 -9.053 3.355 21.053 1.00 8.42 O ATOM 1152 CG2 THR A1108 -10.856 1.864 21.562 1.00 7.91 C ATOM 1153 HG1 THR A1108 -9.706 3.921 20.570 1.00 0.00 H ATOM 1154 H THR A1108 -8.819 2.238 23.580 1.00 0.00 H ATOM 1155 N ARG A1109 -6.843 1.253 19.930 1.00 6.17 N ATOM 1156 CA ARG A1109 -5.569 1.541 19.275 1.00 7.20 C ATOM 1157 C ARG A1109 -5.340 3.035 19.136 1.00 6.38 C ATOM 1158 O ARG A1109 -4.217 3.453 18.857 1.00 8.64 O ATOM 1159 CB ARG A1109 -5.506 0.881 17.890 1.00 8.48 C ATOM 1160 CG ARG A1109 -6.398 1.552 16.879 1.00 7.93 C ATOM 1161 CD ARG A1109 -6.199 0.967 15.481 1.00 9.75 C ATOM 1162 NE ARG A1109 -4.885 1.233 14.889 1.00 9.04 N ATOM 1163 CZ ARG A1109 -3.926 0.316 14.716 1.00 11.38 C ATOM 1164 NH1 ARG A1109 -4.103 -0.942 15.111 1.00 10.11 N ATOM 1165 NH2 ARG A1109 -2.791 0.635 14.112 1.00 9.12 N ATOM 1166 HE ARG A1109 -4.683 2.206 14.581 1.00 0.00 H ATOM 1167 HH12 ARG A1109 -3.348 -1.643 14.969 1.00 0.00 H ATOM 1168 HH11 ARG A1109 -4.997 -1.225 15.562 1.00 0.00 H ATOM 1169 HH22 ARG A1109 -2.051 -0.084 13.982 1.00 0.00 H ATOM 1170 HH21 ARG A1109 -2.640 1.605 13.768 1.00 0.00 H ATOM 1171 H ARG A1109 -7.603 0.808 19.377 1.00 0.00 H ATOM 1172 N HIS A1110 -6.369 3.836 19.348 1.00 8.32 N ATOM 1173 CA HIS A1110 -6.222 5.289 19.367 1.00 9.38 C ATOM 1174 C HIS A1110 -6.115 5.845 20.770 1.00 8.13 C ATOM 1175 O HIS A1110 -6.173 7.067 20.952 1.00 13.15 O ATOM 1176 CB HIS A1110 -7.406 5.922 18.635 1.00 11.56 C ATOM 1177 CG HIS A1110 -7.625 5.350 17.274 1.00 11.23 C ATOM 1178 ND1 HIS A1110 -6.710 5.491 16.257 1.00 10.95 N ATOM 1179 CD2 HIS A1110 -8.643 4.611 16.767 1.00 13.53 C ATOM 1180 CE1 HIS A1110 -7.149 4.853 15.186 1.00 11.47 C ATOM 1181 NE2 HIS A1110 -8.326 4.321 15.463 1.00 12.36 N ATOM 1182 H HIS A1110 -7.309 3.421 19.506 1.00 0.00 H ATOM 1183 N ALA A1111 -5.992 4.969 21.759 1.00 8.00 N ATOM 1184 CA ALA A1111 -5.875 5.279 23.180 1.00 7.97 C ATOM 1185 C ALA A1111 -7.136 5.904 23.740 1.00 12.20 C ATOM 1186 O ALA A1111 -7.078 6.607 24.760 1.00 15.40 O ATOM 1187 CB ALA A1111 -4.678 6.164 23.473 1.00 8.43 C ATOM 1188 H ALA A1111 -5.978 3.963 21.496 1.00 0.00 H ATOM 1189 N ASP A1112 -8.274 5.649 23.099 1.00 8.00 N ATOM 1190 CA ASP A1112 -9.552 5.933 23.708 1.00 7.65 C ATOM 1191 C ASP A1112 -9.848 4.880 24.767 1.00 12.27 C ATOM 1192 O ASP A1112 -9.603 3.688 24.562 1.00 12.02 O ATOM 1193 CB ASP A1112 -10.664 5.978 22.650 1.00 9.68 C ATOM 1194 CG ASP A1112 -10.445 7.069 21.622 1.00 13.50 C ATOM 1195 OD1 ASP A1112 -10.246 8.226 22.041 1.00 15.95 O ATOM 1196 OD2 ASP A1112 -10.418 6.784 20.402 1.00 18.24 O ATOM 1197 H ASP A1112 -8.242 5.239 22.144 1.00 0.00 H ATOM 1198 N VAL A1113 -10.380 5.324 25.899 1.00 11.02 N ATOM 1199 CA VAL A1113 -10.759 4.436 26.986 1.00 9.30 C ATOM 1200 C VAL A1113 -12.277 4.407 27.001 1.00 16.44 C ATOM 1201 O VAL A1113 -12.915 5.457 27.115 1.00 18.08 O ATOM 1202 CB VAL A1113 -10.192 4.903 28.333 1.00 11.67 C ATOM 1203 CG1 VAL A1113 -10.731 4.027 29.453 1.00 21.32 C ATOM 1204 CG2 VAL A1113 -8.662 4.877 28.331 1.00 18.88 C ATOM 1205 H VAL A1113 -10.532 6.347 26.013 1.00 0.00 H ATOM 1206 N ILE A1114 -12.851 3.226 26.818 1.00 9.33 N ATOM 1207 CA ILE A1114 -14.278 3.071 26.558 1.00 13.63 C ATOM 1208 C ILE A1114 -14.907 2.330 27.730 1.00 11.45 C ATOM 1209 O ILE A1114 -14.662 1.121 27.883 1.00 10.69 O ATOM 1210 CB ILE A1114 -14.516 2.304 25.249 1.00 11.14 C ATOM 1211 CG1 ILE A1114 -14.033 3.099 24.033 1.00 16.97 C ATOM 1212 CG2 ILE A1114 -16.005 1.946 25.053 1.00 17.01 C ATOM 1213 CD1 ILE A1114 -14.109 2.278 22.759 1.00 18.86 C ATOM 1214 H ILE A1114 -12.258 2.373 26.862 1.00 0.00 H ATOM 1215 N PRO A1115 -15.735 2.967 28.545 1.00 7.50 N ATOM 1216 CA PRO A1115 -16.427 2.218 29.604 1.00 8.82 C ATOM 1217 C PRO A1115 -17.313 1.134 29.020 1.00 9.47 C ATOM 1218 O PRO A1115 -18.072 1.376 28.088 1.00 8.93 O ATOM 1219 CB PRO A1115 -17.249 3.297 30.312 1.00 12.26 C ATOM 1220 CG PRO A1115 -16.417 4.551 30.087 1.00 14.74 C ATOM 1221 CD PRO A1115 -15.943 4.424 28.698 1.00 11.75 C ATOM 1222 N VAL A1116 -17.235 -0.037 29.639 1.00 9.43 N ATOM 1223 CA VAL A1116 -17.937 -1.247 29.227 1.00 9.63 C ATOM 1224 C VAL A1116 -18.498 -1.912 30.467 1.00 9.53 C ATOM 1225 O VAL A1116 -17.755 -2.191 31.409 1.00 10.09 O ATOM 1226 CB VAL A1116 -17.005 -2.234 28.509 1.00 8.19 C ATOM 1227 CG1 VAL A1116 -17.726 -3.552 28.192 1.00 7.66 C ATOM 1228 CG2 VAL A1116 -16.490 -1.656 27.188 1.00 9.13 C ATOM 1229 H VAL A1116 -16.628 -0.096 30.481 1.00 0.00 H ATOM 1230 N ARG A1117 -19.793 -2.204 30.465 1.00 8.29 N ATOM 1231 CA ARG A1117 -20.396 -2.969 31.541 1.00 6.79 C ATOM 1232 C ARG A1117 -20.379 -4.450 31.157 1.00 9.19 C ATOM 1233 O ARG A1117 -20.846 -4.815 30.078 1.00 8.62 O ATOM 1234 CB ARG A1117 -21.836 -2.480 31.785 1.00 8.65 C ATOM 1235 CG ARG A1117 -22.621 -3.363 32.741 1.00 8.60 C ATOM 1236 CD ARG A1117 -22.114 -3.188 34.184 1.00 11.81 C ATOM 1237 NE ARG A1117 -22.792 -4.110 35.113 1.00 10.37 N ATOM 1238 CZ ARG A1117 -22.654 -4.120 36.429 1.00 9.51 C ATOM 1239 NH1 ARG A1117 -23.358 -5.003 37.127 1.00 9.34 N ATOM 1240 NH2 ARG A1117 -21.835 -3.267 37.051 1.00 10.95 N ATOM 1241 HE ARG A1117 -23.435 -4.814 34.698 1.00 0.00 H ATOM 1242 HH12 ARG A1117 -23.271 -5.035 38.163 1.00 0.00 H ATOM 1243 HH11 ARG A1117 -23.996 -5.662 36.638 1.00 0.00 H ATOM 1244 HH22 ARG A1117 -21.744 -3.295 38.087 1.00 0.00 H ATOM 1245 HH21 ARG A1117 -21.288 -2.575 36.500 1.00 0.00 H ATOM 1246 H ARG A1117 -20.388 -1.878 29.676 1.00 0.00 H ATOM 1247 N ARG A1118 -19.812 -5.291 32.017 1.00 5.40 N ATOM 1248 CA ARG A1118 -19.753 -6.714 31.711 1.00 5.08 C ATOM 1249 C ARG A1118 -21.170 -7.285 31.755 1.00 8.17 C ATOM 1250 O ARG A1118 -21.937 -6.972 32.671 1.00 8.02 O ATOM 1251 CB ARG A1118 -18.848 -7.438 32.695 1.00 6.56 C ATOM 1252 CG ARG A1118 -18.415 -8.816 32.180 1.00 7.24 C ATOM 1253 CD ARG A1118 -17.573 -9.585 33.155 1.00 10.84 C ATOM 1254 NE ARG A1118 -17.020 -10.800 32.528 1.00 9.78 N ATOM 1255 CZ ARG A1118 -15.934 -11.430 32.941 1.00 9.89 C ATOM 1256 NH1 ARG A1118 -15.264 -11.011 34.002 1.00 12.64 N ATOM 1257 NH2 ARG A1118 -15.503 -12.512 32.319 1.00 10.29 N ATOM 1258 HE ARG A1118 -17.520 -11.188 31.703 1.00 0.00 H ATOM 1259 HH12 ARG A1118 -14.411 -11.519 34.313 1.00 0.00 H ATOM 1260 HH11 ARG A1118 -15.590 -10.173 34.525 1.00 0.00 H ATOM 1261 HH22 ARG A1118 -14.647 -12.998 32.654 1.00 0.00 H ATOM 1262 HH21 ARG A1118 -16.020 -12.878 31.494 1.00 0.00 H ATOM 1263 H ARG A1118 -19.411 -4.933 32.907 1.00 0.00 H ATOM 1264 N ARG A1119 -21.527 -8.090 30.734 1.00 7.34 N ATOM 1265 CA ARG A1119 -22.875 -8.628 30.582 1.00 6.96 C ATOM 1266 C ARG A1119 -22.904 -10.145 30.536 1.00 9.03 C ATOM 1267 O ARG A1119 -23.994 -10.724 30.489 1.00 8.06 O ATOM 1268 CB ARG A1119 -23.526 -8.088 29.309 1.00 5.33 C ATOM 1269 CG ARG A1119 -23.737 -6.570 29.293 1.00 9.69 C ATOM 1270 CD ARG A1119 -24.701 -6.129 30.338 1.00 13.30 C ATOM 1271 NE ARG A1119 -25.088 -4.716 30.150 1.00 13.11 N ATOM 1272 CZ ARG A1119 -25.798 -4.029 31.029 1.00 18.38 C ATOM 1273 NH1 ARG A1119 -26.131 -4.599 32.165 1.00 12.78 N ATOM 1274 NH2 ARG A1119 -26.174 -2.773 30.778 1.00 18.21 N ATOM 1275 HE ARG A1119 -24.786 -4.235 29.279 1.00 0.00 H ATOM 1276 HH12 ARG A1119 -26.689 -4.072 32.867 1.00 0.00 H ATOM 1277 HH11 ARG A1119 -25.836 -5.577 32.362 1.00 0.00 H ATOM 1278 HH22 ARG A1119 -26.732 -2.247 31.480 1.00 0.00 H ATOM 1279 HH21 ARG A1119 -25.909 -2.320 29.880 1.00 0.00 H ATOM 1280 H ARG A1119 -20.810 -8.339 30.023 1.00 0.00 H ATOM 1281 N GLY A1120 -21.744 -10.786 30.504 1.00 9.57 N ATOM 1282 CA GLY A1120 -21.637 -12.232 30.594 1.00 7.58 C ATOM 1283 C GLY A1120 -20.178 -12.607 30.683 1.00 5.70 C ATOM 1284 O GLY A1120 -19.318 -11.744 30.883 1.00 9.01 O ATOM 1285 H GLY A1120 -20.871 -10.228 30.410 1.00 0.00 H ATOM 1286 N ASP A1121 -19.901 -13.896 30.511 1.00 9.11 N ATOM 1287 CA ASP A1121 -18.509 -14.385 30.597 1.00 9.65 C ATOM 1288 C ASP A1121 -17.618 -13.667 29.575 1.00 7.71 C ATOM 1289 O ASP A1121 -16.451 -13.313 29.877 1.00 9.62 O ATOM 1290 CB ASP A1121 -18.430 -15.909 30.419 1.00 8.37 C ATOM 1291 CG ASP A1121 -19.254 -16.456 29.249 1.00 11.52 C ATOM 1292 OD1 ASP A1121 -19.860 -15.713 28.463 1.00 11.70 O ATOM 1293 OD2 ASP A1121 -19.306 -17.701 29.126 1.00 15.82 O ATOM 1294 H ASP A1121 -20.671 -14.567 30.314 1.00 0.00 H ATOM 1295 N SER A1122 -18.155 -13.427 28.391 1.00 5.78 N ATOM 1296 HN3 SER A1122 -17.583 -13.884 27.653 1.00 0.00 H ATOM 1297 HN2 SER A1122 -18.181 -12.401 28.225 1.00 0.00 H ATOM 1298 HN1 SER A1122 -19.123 -13.808 28.367 1.00 0.00 H TER 1299 SER A1122 ATOM 1300 N ARG A1123 -18.902 -11.070 27.134 1.00 8.58 N ATOM 1301 CA ARG A1123 -19.623 -9.986 26.474 1.00 7.04 C ATOM 1302 C ARG A1123 -19.680 -8.775 27.399 1.00 10.15 C ATOM 1303 O ARG A1123 -19.805 -8.929 28.614 1.00 9.30 O ATOM 1304 CB ARG A1123 -21.075 -10.380 26.139 1.00 9.40 C ATOM 1305 CG ARG A1123 -21.234 -11.449 25.106 1.00 13.17 C ATOM 1306 CD ARG A1123 -20.659 -11.004 23.774 1.00 15.37 C ATOM 1307 NE ARG A1123 -20.815 -12.057 22.770 1.00 19.21 N ATOM 1308 CZ ARG A1123 -21.862 -12.161 21.960 1.00 21.30 C ATOM 1309 NH1 ARG A1123 -22.847 -11.273 22.011 1.00 23.23 N ATOM 1310 NH2 ARG A1123 -21.926 -13.158 21.104 1.00 20.90 N ATOM 1311 HE ARG A1123 -20.060 -12.767 22.686 1.00 0.00 H ATOM 1312 HH12 ARG A1123 -23.663 -11.364 21.372 1.00 0.00 H ATOM 1313 HH11 ARG A1123 -22.803 -10.486 22.690 1.00 0.00 H ATOM 1314 HH22 ARG A1123 -22.743 -13.245 20.467 1.00 0.00 H ATOM 1315 HH21 ARG A1123 -21.159 -13.859 21.064 1.00 0.00 H ATOM 1316 H ARG A1123 -19.127 -11.289 28.125 1.00 0.00 H ATOM 1317 N GLY A1124 -19.612 -7.583 26.819 1.00 6.67 N ATOM 1318 CA GLY A1124 -19.841 -6.360 27.578 1.00 6.98 C ATOM 1319 C GLY A1124 -20.498 -5.321 26.701 1.00 12.09 C ATOM 1320 O GLY A1124 -20.236 -5.263 25.500 1.00 10.42 O ATOM 1321 H GLY A1124 -19.391 -7.521 25.805 1.00 0.00 H ATOM 1322 N SER A1125 -21.315 -4.443 27.316 1.00 12.25 N ATOM 1323 CA SER A1125 -21.981 -3.401 26.559 1.00 8.63 C ATOM 1324 C SER A1125 -21.211 -2.093 26.672 1.00 9.32 C ATOM 1325 O SER A1125 -20.632 -1.777 27.709 1.00 9.09 O ATOM 1326 CB SER A1125 -23.424 -3.210 27.026 1.00 15.33 C ATOM 1327 OG SER A1125 -23.445 -2.987 28.422 1.00 13.66 O ATOM 1328 HG SER A1125 -22.920 -2.175 28.633 1.00 0.00 H ATOM 1329 H SER A1125 -21.469 -4.513 28.342 1.00 0.00 H ATOM 1330 N LEU A1126 -21.161 -1.354 25.581 1.00 10.83 N ATOM 1331 CA LEU A1126 -20.583 -0.016 25.625 1.00 9.63 C ATOM 1332 C LEU A1126 -21.572 0.914 26.287 1.00 8.97 C ATOM 1333 O LEU A1126 -22.747 0.903 25.950 1.00 11.93 O ATOM 1334 CB LEU A1126 -20.283 0.485 24.218 1.00 8.55 C ATOM 1335 CG LEU A1126 -19.287 -0.302 23.366 1.00 19.14 C ATOM 1336 CD1 LEU A1126 -18.824 0.693 22.248 1.00 15.95 C ATOM 1337 CD2 LEU A1126 -18.182 -0.800 24.095 1.00 23.77 C ATOM 1338 H LEU A1126 -21.535 -1.727 24.685 1.00 0.00 H ATOM 1339 N LEU A1127 -21.116 1.715 27.242 1.00 13.98 N ATOM 1340 CA LEU A1127 -22.056 2.649 27.837 1.00 13.51 C ATOM 1341 C LEU A1127 -22.487 3.677 26.816 1.00 15.32 C ATOM 1342 O LEU A1127 -23.619 4.180 26.877 1.00 12.61 O ATOM 1343 CB LEU A1127 -21.435 3.313 29.060 1.00 13.60 C ATOM 1344 CG LEU A1127 -21.493 2.495 30.349 1.00 17.48 C ATOM 1345 CD1 LEU A1127 -20.954 1.119 30.176 1.00 16.32 C ATOM 1346 CD2 LEU A1127 -20.723 3.231 31.487 1.00 25.92 C ATOM 1347 H LEU A1127 -20.124 1.675 27.552 1.00 0.00 H ATOM 1348 N SER A1128 -21.590 4.011 25.889 1.00 12.36 N ATOM 1349 CA SER A1128 -21.863 4.949 24.803 1.00 21.55 C ATOM 1350 C SER A1128 -21.509 4.216 23.517 1.00 12.29 C ATOM 1351 O SER A1128 -20.318 4.104 23.197 1.00 16.67 O ATOM 1352 CB SER A1128 -21.034 6.228 24.911 1.00 22.33 C ATOM 1353 OG SER A1128 -21.118 6.818 26.202 1.00 29.02 O ATOM 1354 HG SER A1128 -20.784 6.177 26.879 1.00 0.00 H ATOM 1355 H SER A1128 -20.645 3.581 25.941 1.00 0.00 H ATOM 1356 N PRO A1129 -22.490 3.719 22.781 1.00 16.34 N ATOM 1357 CA PRO A1129 -22.208 3.028 21.518 1.00 16.86 C ATOM 1358 C PRO A1129 -21.409 3.864 20.530 1.00 16.74 C ATOM 1359 O PRO A1129 -21.489 5.091 20.514 1.00 13.39 O ATOM 1360 CB PRO A1129 -23.598 2.731 20.970 1.00 16.89 C ATOM 1361 CG PRO A1129 -24.452 2.611 22.212 1.00 22.57 C ATOM 1362 CD PRO A1129 -23.911 3.603 23.163 1.00 17.27 C ATOM 1363 N ARG A1130 -20.639 3.168 19.695 1.00 15.50 N ATOM 1364 CA ARG A1130 -19.735 3.767 18.726 1.00 15.37 C ATOM 1365 C ARG A1130 -19.823 3.028 17.402 1.00 11.62 C ATOM 1366 O ARG A1130 -20.091 1.823 17.372 1.00 14.47 O ATOM 1367 CB ARG A1130 -18.277 3.732 19.214 1.00 20.13 C ATOM 1368 CG ARG A1130 -17.846 4.936 20.005 1.00 25.90 C ATOM 1369 CD ARG A1130 -17.724 4.593 21.441 1.00 20.71 C ATOM 1370 NE ARG A1130 -17.124 5.682 22.205 1.00 27.98 N ATOM 1371 CZ ARG A1130 -17.129 5.746 23.533 1.00 25.65 C ATOM 1372 NH1 ARG A1130 -17.705 4.789 24.253 1.00 17.00 N ATOM 1373 NH2 ARG A1130 -16.557 6.768 24.141 1.00 30.34 N ATOM 1374 HE ARG A1130 -16.665 6.454 21.680 1.00 0.00 H ATOM 1375 HH12 ARG A1130 -17.704 4.848 25.291 1.00 0.00 H ATOM 1376 HH11 ARG A1130 -18.157 3.982 23.778 1.00 0.00 H ATOM 1377 HH22 ARG A1130 -16.558 6.822 25.180 1.00 0.00 H ATOM 1378 HH21 ARG A1130 -16.105 7.519 23.582 1.00 0.00 H ATOM 1379 H ARG A1130 -20.687 2.130 19.739 1.00 0.00 H ATOM 1380 N PRO A1131 -19.610 3.723 16.284 1.00 11.41 N ATOM 1381 CA PRO A1131 -19.560 3.041 14.988 1.00 11.39 C ATOM 1382 C PRO A1131 -18.427 2.038 14.988 1.00 9.80 C ATOM 1383 O PRO A1131 -17.404 2.257 15.630 1.00 12.98 O ATOM 1384 CB PRO A1131 -19.278 4.164 13.995 1.00 13.05 C ATOM 1385 CG PRO A1131 -19.652 5.406 14.672 1.00 25.25 C ATOM 1386 CD PRO A1131 -19.441 5.178 16.156 1.00 13.52 C ATOM 1387 N ILE A1132 -18.578 0.952 14.229 1.00 13.62 N ATOM 1388 CA ILE A1132 -17.504 -0.041 14.289 1.00 13.47 C ATOM 1389 C ILE A1132 -16.172 0.543 13.817 1.00 11.32 C ATOM 1390 O ILE A1132 -15.112 0.010 14.178 1.00 10.23 O ATOM 1391 CB ILE A1132 -17.786 -1.365 13.524 1.00 23.27 C ATOM 1392 CG1 ILE A1132 -18.168 -1.134 12.085 1.00 24.73 C ATOM 1393 CG2 ILE A1132 -18.824 -2.313 14.319 1.00 19.78 C ATOM 1394 CD1 ILE A1132 -18.120 -2.395 11.321 1.00 28.60 C ATOM 1395 H ILE A1132 -19.415 0.818 13.626 1.00 0.00 H ATOM 1396 N SER A1133 -16.195 1.597 12.979 1.00 10.88 N ATOM 1397 CA SER A1133 -14.957 2.258 12.546 1.00 12.31 C ATOM 1398 C SER A1133 -14.050 2.631 13.717 1.00 11.99 C ATOM 1399 O SER A1133 -12.817 2.681 13.584 1.00 11.27 O ATOM 1400 CB SER A1133 -15.327 3.518 11.769 1.00 10.02 C ATOM 1401 OG SER A1133 -16.316 3.180 10.818 1.00 16.04 O ATOM 1402 HG SER A1133 -16.568 3.988 10.304 1.00 0.00 H ATOM 1403 H SER A1133 -17.109 1.950 12.631 1.00 0.00 H ATOM 1404 N TYR A1134 -14.664 2.995 14.839 1.00 10.12 N ATOM 1405 CA TYR A1134 -13.972 3.489 16.013 1.00 9.91 C ATOM 1406 C TYR A1134 -13.226 2.375 16.712 1.00 11.32 C ATOM 1407 O TYR A1134 -12.280 2.629 17.456 1.00 10.56 O ATOM 1408 CB TYR A1134 -15.019 4.072 16.946 1.00 10.52 C ATOM 1409 CG TYR A1134 -14.545 4.935 18.104 1.00 14.16 C ATOM 1410 CD1 TYR A1134 -14.238 6.265 17.902 1.00 20.12 C ATOM 1411 CD2 TYR A1134 -14.495 4.440 19.418 1.00 20.82 C ATOM 1412 CE1 TYR A1134 -13.854 7.089 18.965 1.00 26.61 C ATOM 1413 CE2 TYR A1134 -14.117 5.280 20.493 1.00 18.97 C ATOM 1414 CZ TYR A1134 -13.796 6.581 20.259 1.00 19.74 C ATOM 1415 OH TYR A1134 -13.412 7.397 21.324 1.00 23.83 O ATOM 1416 HH TYR A1134 -13.214 8.306 20.987 1.00 0.00 H ATOM 1417 H TYR A1134 -15.701 2.921 14.876 1.00 0.00 H ATOM 1418 N LEU A1135 -13.697 1.150 16.526 1.00 6.21 N ATOM 1419 CA LEU A1135 -13.145 -0.021 17.184 1.00 7.10 C ATOM 1420 C LEU A1135 -12.245 -0.813 16.278 1.00 6.90 C ATOM 1421 O LEU A1135 -11.476 -1.650 16.767 1.00 6.09 O ATOM 1422 CB LEU A1135 -14.277 -0.946 17.662 1.00 9.21 C ATOM 1423 CG LEU A1135 -15.213 -0.338 18.697 1.00 9.20 C ATOM 1424 CD1 LEU A1135 -16.231 -1.363 19.131 1.00 14.00 C ATOM 1425 CD2 LEU A1135 -14.444 0.250 19.896 1.00 16.81 C ATOM 1426 H LEU A1135 -14.500 1.021 15.878 1.00 0.00 H ATOM 1427 N LYS A1136 -12.333 -0.578 14.970 1.00 7.01 N ATOM 1428 CA LYS A1136 -11.560 -1.360 14.018 1.00 7.19 C ATOM 1429 C LYS A1136 -10.080 -1.174 14.303 1.00 8.06 C ATOM 1430 O LYS A1136 -9.618 -0.055 14.502 1.00 7.54 O ATOM 1431 CB LYS A1136 -11.883 -0.921 12.579 1.00 8.60 C ATOM 1432 CG LYS A1136 -11.185 -1.725 11.510 1.00 9.83 C ATOM 1433 CD LYS A1136 -11.574 -1.290 10.096 1.00 10.62 C ATOM 1434 CE LYS A1136 -10.896 -2.086 9.005 1.00 14.69 C ATOM 1435 NZ LYS A1136 -9.420 -1.952 8.891 1.00 14.84 N ATOM 1436 HZ1 LYS A1136 -9.177 -0.958 8.706 1.00 0.00 H ATOM 1437 HZ2 LYS A1136 -8.976 -2.259 9.780 1.00 0.00 H ATOM 1438 HZ3 LYS A1136 -9.079 -2.546 8.108 1.00 0.00 H ATOM 1439 H LYS A1136 -12.963 0.174 14.625 1.00 0.00 H ATOM 1440 N GLY A1137 -9.341 -2.276 14.306 1.00 7.82 N ATOM 1441 CA GLY A1137 -7.912 -2.262 14.586 1.00 10.16 C ATOM 1442 C GLY A1137 -7.554 -2.387 16.049 1.00 8.74 C ATOM 1443 O GLY A1137 -6.377 -2.241 16.400 1.00 5.80 O ATOM 1444 H GLY A1137 -9.801 -3.186 14.100 1.00 0.00 H ATOM 1445 N SER A1138 -8.529 -2.646 16.916 1.00 7.11 N ATOM 1446 CA SER A1138 -8.299 -2.717 18.346 1.00 4.55 C ATOM 1447 C SER A1138 -8.409 -4.137 18.882 1.00 7.25 C ATOM 1448 O SER A1138 -8.227 -4.343 20.089 1.00 6.97 O ATOM 1449 CB SER A1138 -9.275 -1.794 19.087 1.00 10.27 C ATOM 1450 OG SER A1138 -8.913 -0.426 18.911 1.00 8.09 O ATOM 1451 HG SER A1138 -8.932 -0.202 17.947 1.00 0.00 H ATOM 1452 H SER A1138 -9.492 -2.803 16.555 1.00 0.00 H ATOM 1453 N SER A1139 -8.703 -5.125 18.026 1.00 7.67 N ATOM 1454 CA SER A1139 -8.651 -6.505 18.495 1.00 3.93 C ATOM 1455 C SER A1139 -7.273 -6.768 19.063 1.00 8.39 C ATOM 1456 O SER A1139 -6.269 -6.224 18.599 1.00 8.40 O ATOM 1457 CB SER A1139 -8.973 -7.510 17.394 1.00 4.33 C ATOM 1458 OG SER A1139 -8.007 -7.537 16.375 1.00 6.95 O ATOM 1459 HG SER A1139 -7.945 -6.642 15.957 1.00 0.00 H ATOM 1460 H SER A1139 -8.964 -4.911 17.042 1.00 0.00 H ATOM 1461 N GLY A1140 -7.229 -7.608 20.098 1.00 5.67 N ATOM 1462 CA GLY A1140 -6.014 -7.806 20.846 1.00 4.41 C ATOM 1463 C GLY A1140 -5.795 -6.855 22.001 1.00 7.71 C ATOM 1464 O GLY A1140 -4.923 -7.116 22.830 1.00 9.73 O ATOM 1465 H GLY A1140 -8.087 -8.129 20.370 1.00 0.00 H ATOM 1466 N GLY A1141 -6.547 -5.768 22.084 1.00 6.73 N ATOM 1467 CA GLY A1141 -6.425 -4.822 23.171 1.00 5.28 C ATOM 1468 C GLY A1141 -7.129 -5.303 24.415 1.00 6.30 C ATOM 1469 O GLY A1141 -7.916 -6.251 24.394 1.00 9.00 O ATOM 1470 H GLY A1141 -7.251 -5.588 21.340 1.00 0.00 H ATOM 1471 N PRO A1142 -6.871 -4.629 25.538 1.00 6.65 N ATOM 1472 CA PRO A1142 -7.394 -5.090 26.825 1.00 7.48 C ATOM 1473 C PRO A1142 -8.741 -4.506 27.215 1.00 8.83 C ATOM 1474 O PRO A1142 -9.076 -3.362 26.905 1.00 8.37 O ATOM 1475 CB PRO A1142 -6.330 -4.599 27.813 1.00 8.11 C ATOM 1476 CG PRO A1142 -5.924 -3.274 27.203 1.00 7.53 C ATOM 1477 CD PRO A1142 -5.962 -3.489 25.695 1.00 11.27 C ATOM 1478 N LEU A1143 -9.499 -5.317 27.969 1.00 6.03 N ATOM 1479 CA LEU A1143 -10.506 -4.795 28.871 1.00 7.35 C ATOM 1480 C LEU A1143 -9.934 -4.898 30.276 1.00 7.10 C ATOM 1481 O LEU A1143 -9.400 -5.953 30.661 1.00 9.11 O ATOM 1482 CB LEU A1143 -11.839 -5.556 28.770 1.00 11.02 C ATOM 1483 CG LEU A1143 -12.621 -5.328 27.479 1.00 12.46 C ATOM 1484 CD1 LEU A1143 -12.141 -6.308 26.368 1.00 11.82 C ATOM 1485 CD2 LEU A1143 -14.107 -5.453 27.744 1.00 18.01 C ATOM 1486 H LEU A1143 -9.360 -6.346 27.904 1.00 0.00 H ATOM 1487 N LEU A1144 -9.992 -3.785 31.013 1.00 6.67 N ATOM 1488 CA LEU A1144 -9.430 -3.686 32.337 1.00 8.21 C ATOM 1489 C LEU A1144 -10.527 -3.425 33.374 1.00 9.16 C ATOM 1490 O LEU A1144 -11.584 -2.848 33.052 1.00 10.78 O ATOM 1491 CB LEU A1144 -8.404 -2.562 32.405 1.00 8.01 C ATOM 1492 CG LEU A1144 -7.263 -2.502 31.390 1.00 14.86 C ATOM 1493 CD1 LEU A1144 -6.433 -1.280 31.595 1.00 29.05 C ATOM 1494 CD2 LEU A1144 -6.368 -3.660 31.535 1.00 17.55 C ATOM 1495 H LEU A1144 -10.465 -2.950 30.612 1.00 0.00 H ATOM 1496 N CYS A1145 -10.255 -3.827 34.615 1.00 7.96 N ATOM 1497 CA CYS A1145 -11.119 -3.493 35.741 1.00 9.93 C ATOM 1498 C CYS A1145 -10.744 -2.122 36.300 1.00 11.72 C ATOM 1499 O CYS A1145 -9.779 -1.466 35.865 1.00 10.11 O ATOM 1500 CB CYS A1145 -11.017 -4.593 36.814 1.00 11.25 C ATOM 1501 SG CYS A1145 -9.546 -4.425 37.842 1.00 10.33 S ATOM 1502 H CYS A1145 -9.401 -4.396 34.785 1.00 0.00 H ATOM 1503 N PRO A1146 -11.513 -1.627 37.269 1.00 10.24 N ATOM 1504 CA PRO A1146 -11.201 -0.305 37.830 1.00 11.07 C ATOM 1505 C PRO A1146 -9.811 -0.197 38.431 1.00 10.82 C ATOM 1506 O PRO A1146 -9.260 0.910 38.526 1.00 19.14 O ATOM 1507 CB PRO A1146 -12.285 -0.129 38.900 1.00 10.04 C ATOM 1508 CG PRO A1146 -13.451 -1.005 38.405 1.00 9.37 C ATOM 1509 CD PRO A1146 -12.757 -2.194 37.828 1.00 9.13 C ATOM 1510 N ALA A1147 -9.253 -1.298 38.887 1.00 10.46 N ATOM 1511 CA ALA A1147 -7.922 -1.330 39.474 1.00 12.07 C ATOM 1512 C ALA A1147 -6.842 -1.528 38.429 1.00 13.06 C ATOM 1513 O ALA A1147 -5.655 -1.569 38.770 1.00 15.00 O ATOM 1514 CB ALA A1147 -7.831 -2.442 40.506 1.00 16.47 C ATOM 1515 H ALA A1147 -9.789 -2.187 38.825 1.00 0.00 H ATOM 1516 N GLY A1148 -7.212 -1.707 37.176 1.00 12.32 N ATOM 1517 CA GLY A1148 -6.205 -1.830 36.147 1.00 13.35 C ATOM 1518 C GLY A1148 -5.759 -3.242 35.875 1.00 16.38 C ATOM 1519 O GLY A1148 -4.738 -3.436 35.194 1.00 14.32 O ATOM 1520 H GLY A1148 -8.221 -1.759 36.930 1.00 0.00 H ATOM 1521 N HIS A1149 -6.481 -4.236 36.379 1.00 10.56 N ATOM 1522 CA HIS A1149 -6.150 -5.608 36.063 1.00 9.20 C ATOM 1523 C HIS A1149 -6.718 -5.953 34.693 1.00 10.58 C ATOM 1524 O HIS A1149 -7.701 -5.369 34.257 1.00 10.54 O ATOM 1525 CB HIS A1149 -6.738 -6.579 37.080 1.00 8.97 C ATOM 1526 CG HIS A1149 -6.440 -6.248 38.507 1.00 13.13 C ATOM 1527 ND1 HIS A1149 -7.398 -6.325 39.492 1.00 12.81 N ATOM 1528 CD2 HIS A1149 -5.275 -5.947 39.126 1.00 15.27 C ATOM 1529 CE1 HIS A1149 -6.841 -6.031 40.654 1.00 15.63 C ATOM 1530 NE2 HIS A1149 -5.547 -5.825 40.466 1.00 16.77 N ATOM 1531 H HIS A1149 -7.287 -4.027 37.003 1.00 0.00 H ATOM 1532 N ALA A1150 -6.131 -6.963 34.053 1.00 10.78 N ATOM 1533 CA ALA A1150 -6.668 -7.465 32.784 1.00 6.50 C ATOM 1534 C ALA A1150 -7.869 -8.369 33.043 1.00 6.13 C ATOM 1535 O ALA A1150 -7.773 -9.331 33.816 1.00 7.34 O ATOM 1536 CB ALA A1150 -5.593 -8.227 32.011 1.00 9.41 C ATOM 1537 H ALA A1150 -5.280 -7.402 34.459 1.00 0.00 H ATOM 1538 N VAL A1151 -8.995 -8.056 32.387 1.00 7.59 N ATOM 1539 CA VAL A1151 -10.200 -8.878 32.423 1.00 6.70 C ATOM 1540 C VAL A1151 -10.381 -9.686 31.144 1.00 8.50 C ATOM 1541 O VAL A1151 -10.944 -10.784 31.168 1.00 7.50 O ATOM 1542 CB VAL A1151 -11.413 -7.981 32.691 1.00 8.32 C ATOM 1543 CG1 VAL A1151 -12.708 -8.768 32.607 1.00 11.06 C ATOM 1544 CG2 VAL A1151 -11.253 -7.263 34.033 1.00 10.30 C ATOM 1545 H VAL A1151 -9.011 -7.182 31.823 1.00 0.00 H ATOM 1546 N GLY A1152 -9.953 -9.146 30.019 1.00 8.64 N ATOM 1547 CA GLY A1152 -10.119 -9.878 28.776 1.00 9.78 C ATOM 1548 C GLY A1152 -9.360 -9.200 27.665 1.00 6.14 C ATOM 1549 O GLY A1152 -8.766 -8.148 27.869 1.00 8.32 O ATOM 1550 H GLY A1152 -9.503 -8.209 30.022 1.00 0.00 H ATOM 1551 N ILE A1153 -9.373 -9.868 26.505 1.00 8.71 N ATOM 1552 CA ILE A1153 -8.738 -9.434 25.260 1.00 8.82 C ATOM 1553 C ILE A1153 -9.846 -9.209 24.228 1.00 8.55 C ATOM 1554 O ILE A1153 -10.651 -10.117 23.971 1.00 7.38 O ATOM 1555 CB ILE A1153 -7.741 -10.490 24.744 1.00 8.61 C ATOM 1556 CG1 ILE A1153 -6.523 -10.649 25.658 1.00 11.38 C ATOM 1557 CG2 ILE A1153 -7.304 -10.201 23.327 1.00 10.76 C ATOM 1558 CD1 ILE A1153 -5.696 -9.431 25.810 1.00 10.09 C ATOM 1559 H ILE A1153 -9.879 -10.776 26.487 1.00 0.00 H ATOM 1560 N PHE A1154 -9.905 -8.001 23.652 1.00 5.93 N ATOM 1561 CA PHE A1154 -10.977 -7.650 22.708 1.00 7.50 C ATOM 1562 C PHE A1154 -10.888 -8.524 21.454 1.00 7.25 C ATOM 1563 O PHE A1154 -9.844 -8.582 20.811 1.00 6.50 O ATOM 1564 CB PHE A1154 -10.842 -6.157 22.389 1.00 7.74 C ATOM 1565 CG PHE A1154 -11.869 -5.574 21.445 1.00 7.86 C ATOM 1566 CD1 PHE A1154 -13.179 -6.070 21.329 1.00 8.82 C ATOM 1567 CD2 PHE A1154 -11.516 -4.469 20.686 1.00 8.96 C ATOM 1568 CE1 PHE A1154 -14.085 -5.473 20.445 1.00 6.98 C ATOM 1569 CE2 PHE A1154 -12.428 -3.864 19.836 1.00 7.32 C ATOM 1570 CZ PHE A1154 -13.709 -4.395 19.688 1.00 8.77 C ATOM 1571 H PHE A1154 -9.176 -7.295 23.878 1.00 0.00 H ATOM 1572 N ARG A1155 -11.998 -9.186 21.096 1.00 6.79 N ATOM 1573 CA ARG A1155 -12.036 -10.148 19.995 1.00 7.60 C ATOM 1574 C ARG A1155 -12.916 -9.706 18.827 1.00 7.87 C ATOM 1575 O ARG A1155 -12.477 -9.758 17.677 1.00 8.28 O ATOM 1576 CB ARG A1155 -12.523 -11.497 20.510 1.00 7.45 C ATOM 1577 CG ARG A1155 -12.737 -12.529 19.440 1.00 7.29 C ATOM 1578 CD ARG A1155 -12.778 -13.930 20.046 1.00 8.45 C ATOM 1579 NE ARG A1155 -13.882 -14.036 20.994 1.00 9.70 N ATOM 1580 CZ ARG A1155 -14.021 -15.013 21.877 1.00 10.04 C ATOM 1581 NH1 ARG A1155 -15.059 -15.026 22.683 1.00 9.21 N ATOM 1582 NH2 ARG A1155 -13.123 -15.993 21.964 1.00 9.89 N ATOM 1583 HE ARG A1155 -14.610 -13.293 20.975 1.00 0.00 H ATOM 1584 HH12 ARG A1155 -15.169 -15.793 23.377 1.00 0.00 H ATOM 1585 HH11 ARG A1155 -15.770 -14.269 22.627 1.00 0.00 H ATOM 1586 HH22 ARG A1155 -13.248 -16.752 22.663 1.00 0.00 H ATOM 1587 HH21 ARG A1155 -12.297 -15.999 21.332 1.00 0.00 H ATOM 1588 H ARG A1155 -12.874 -9.007 21.627 1.00 0.00 H ATOM 1589 N ALA A1156 -14.151 -9.280 19.090 1.00 8.30 N ATOM 1590 CA ALA A1156 -15.089 -8.973 18.022 1.00 9.58 C ATOM 1591 C ALA A1156 -16.114 -7.969 18.531 1.00 10.92 C ATOM 1592 O ALA A1156 -16.355 -7.852 19.738 1.00 8.20 O ATOM 1593 CB ALA A1156 -15.747 -10.253 17.496 1.00 9.01 C ATOM 1594 H ALA A1156 -14.450 -9.165 20.079 1.00 0.00 H ATOM 1595 N ALA A1157 -16.669 -7.188 17.601 1.00 7.85 N ATOM 1596 CA ALA A1157 -17.702 -6.225 17.957 1.00 9.82 C ATOM 1597 C ALA A1157 -19.077 -6.794 17.675 1.00 10.61 C ATOM 1598 O ALA A1157 -19.286 -7.471 16.668 1.00 10.69 O ATOM 1599 CB ALA A1157 -17.546 -4.937 17.171 1.00 8.25 C ATOM 1600 H ALA A1157 -16.360 -7.268 16.611 1.00 0.00 H ATOM 1601 N VAL A1158 -20.019 -6.451 18.542 1.00 12.46 N ATOM 1602 CA VAL A1158 -21.408 -6.851 18.412 1.00 11.83 C ATOM 1603 C VAL A1158 -22.109 -5.662 17.803 1.00 13.34 C ATOM 1604 O VAL A1158 -22.284 -4.625 18.449 1.00 13.47 O ATOM 1605 CB VAL A1158 -22.011 -7.235 19.763 1.00 9.53 C ATOM 1606 CG1 VAL A1158 -23.462 -7.755 19.553 1.00 18.49 C ATOM 1607 CG2 VAL A1158 -21.130 -8.248 20.431 1.00 17.80 C ATOM 1608 H VAL A1158 -19.749 -5.865 19.358 1.00 0.00 H ATOM 1609 N CYS A1159 -22.468 -5.801 16.543 1.00 17.90 N ATOM 1610 CA CYS A1159 -22.788 -4.669 15.718 1.00 18.01 C ATOM 1611 C CYS A1159 -24.159 -4.819 15.073 1.00 22.41 C ATOM 1612 O CYS A1159 -24.477 -5.886 14.556 1.00 30.07 O ATOM 1613 CB CYS A1159 -21.726 -4.566 14.661 1.00 23.83 C ATOM 1614 SG CYS A1159 -22.212 -3.647 13.346 1.00 40.76 S ATOM 1615 H CYS A1159 -22.521 -6.756 16.134 1.00 0.00 H ATOM 1616 N THR A1160 -24.942 -3.743 15.072 1.00 18.81 N ATOM 1617 CA THR A1160 -26.137 -3.660 14.234 1.00 35.44 C ATOM 1618 C THR A1160 -26.205 -2.309 13.524 1.00 20.64 C ATOM 1619 O THR A1160 -26.049 -1.251 14.143 1.00 25.31 O ATOM 1620 CB THR A1160 -27.425 -3.892 15.038 1.00 34.57 C ATOM 1621 OG1 THR A1160 -27.501 -2.961 16.117 1.00 45.15 O ATOM 1622 CG2 THR A1160 -27.472 -5.302 15.583 1.00 35.90 C ATOM 1623 HG1 THR A1160 -27.503 -2.039 15.756 1.00 0.00 H ATOM 1624 H THR A1160 -24.697 -2.939 15.684 1.00 0.00 H ATOM 1625 N ARG A1161 -26.446 -2.353 12.219 1.00 34.98 N ATOM 1626 CA ARG A1161 -26.444 -1.144 11.403 1.00 24.68 C ATOM 1627 C ARG A1161 -25.142 -0.370 11.607 1.00 23.02 C ATOM 1628 O ARG A1161 -25.140 0.860 11.702 1.00 28.29 O ATOM 1629 CB ARG A1161 -27.649 -0.261 11.717 1.00 31.99 C ATOM 1630 H ARG A1161 -26.641 -3.270 11.769 1.00 0.00 H ATOM 1631 N GLY A1162 -24.038 -1.109 11.737 1.00 26.36 N ATOM 1632 CA GLY A1162 -22.713 -0.523 11.877 1.00 19.75 C ATOM 1633 C GLY A1162 -22.400 0.158 13.186 1.00 17.16 C ATOM 1634 O GLY A1162 -21.332 0.772 13.289 1.00 14.65 O ATOM 1635 H GLY A1162 -24.128 -2.145 11.738 1.00 0.00 H ATOM 1636 N VAL A1163 -23.278 0.094 14.193 1.00 15.58 N ATOM 1637 CA VAL A1163 -23.006 0.689 15.497 1.00 14.19 C ATOM 1638 C VAL A1163 -22.659 -0.451 16.447 1.00 16.01 C ATOM 1639 O VAL A1163 -23.378 -1.459 16.516 1.00 17.59 O ATOM 1640 CB VAL A1163 -24.195 1.514 16.024 1.00 19.01 C ATOM 1641 CG1 VAL A1163 -23.854 2.151 17.363 1.00 22.71 C ATOM 1642 CG2 VAL A1163 -24.557 2.630 15.028 1.00 23.49 C ATOM 1643 H VAL A1163 -24.183 -0.395 14.042 1.00 0.00 H ATOM 1644 N ALA A1164 -21.548 -0.312 17.142 1.00 14.82 N ATOM 1645 CA ALA A1164 -21.131 -1.315 18.116 1.00 14.22 C ATOM 1646 C ALA A1164 -21.856 -0.974 19.421 1.00 11.54 C ATOM 1647 O ALA A1164 -21.584 0.064 20.020 1.00 16.46 O ATOM 1648 CB ALA A1164 -19.612 -1.279 18.275 1.00 18.21 C ATOM 1649 H ALA A1164 -20.956 0.530 16.993 1.00 0.00 H ATOM 1650 N LYS A1165 -22.813 -1.806 19.843 1.00 9.84 N ATOM 1651 CA LYS A1165 -23.418 -1.608 21.154 1.00 11.79 C ATOM 1652 C LYS A1165 -22.789 -2.491 22.214 1.00 14.00 C ATOM 1653 O LYS A1165 -22.990 -2.241 23.412 1.00 9.37 O ATOM 1654 CB LYS A1165 -24.929 -1.871 21.098 1.00 18.11 C ATOM 1655 CG LYS A1165 -25.649 -1.018 20.029 1.00 32.12 C ATOM 1656 CD LYS A1165 -27.184 -0.946 20.222 1.00 46.73 C ATOM 1657 CE LYS A1165 -27.619 0.289 21.032 1.00 57.70 C ATOM 1658 NZ LYS A1165 -29.081 0.290 21.392 1.00 71.65 N ATOM 1659 HZ1 LYS A1165 -29.651 0.272 20.522 1.00 0.00 H ATOM 1660 HZ2 LYS A1165 -29.296 -0.550 21.966 1.00 0.00 H ATOM 1661 HZ3 LYS A1165 -29.302 1.149 21.935 1.00 0.00 H ATOM 1662 H LYS A1165 -23.125 -2.592 19.238 1.00 0.00 H ATOM 1663 N ALA A1166 -22.053 -3.523 21.792 1.00 9.69 N ATOM 1664 CA ALA A1166 -21.406 -4.441 22.720 1.00 7.07 C ATOM 1665 C ALA A1166 -20.131 -4.998 22.091 1.00 9.51 C ATOM 1666 O ALA A1166 -19.870 -4.830 20.898 1.00 9.78 O ATOM 1667 CB ALA A1166 -22.366 -5.570 23.082 1.00 9.71 C ATOM 1668 H ALA A1166 -21.938 -3.676 20.770 1.00 0.00 H ATOM 1669 N VAL A1167 -19.322 -5.615 22.930 1.00 8.52 N ATOM 1670 CA VAL A1167 -18.096 -6.263 22.490 1.00 7.66 C ATOM 1671 C VAL A1167 -18.046 -7.682 23.019 1.00 7.88 C ATOM 1672 O VAL A1167 -18.586 -8.007 24.080 1.00 8.80 O ATOM 1673 CB VAL A1167 -16.840 -5.486 22.926 1.00 6.77 C ATOM 1674 CG1 VAL A1167 -16.839 -4.144 22.193 1.00 8.68 C ATOM 1675 CG2 VAL A1167 -16.742 -5.342 24.423 1.00 9.90 C ATOM 1676 H VAL A1167 -19.569 -5.639 23.940 1.00 0.00 H ATOM 1677 N ASP A1168 -17.378 -8.514 22.242 1.00 8.04 N ATOM 1678 CA ASP A1168 -17.043 -9.892 22.548 1.00 7.29 C ATOM 1679 C ASP A1168 -15.561 -9.936 22.887 1.00 9.09 C ATOM 1680 O ASP A1168 -14.743 -9.311 22.174 1.00 8.12 O ATOM 1681 CB ASP A1168 -17.352 -10.744 21.310 1.00 7.91 C ATOM 1682 CG ASP A1168 -16.718 -12.102 21.345 1.00 11.39 C ATOM 1683 OD1 ASP A1168 -16.845 -12.796 22.371 1.00 11.61 O ATOM 1684 OD2 ASP A1168 -16.169 -12.520 20.291 1.00 13.03 O ATOM 1685 H ASP A1168 -17.061 -8.146 21.322 1.00 0.00 H ATOM 1686 N PHE A1169 -15.214 -10.582 24.009 1.00 10.02 N ATOM 1687 CA PHE A1169 -13.818 -10.624 24.422 1.00 5.92 C ATOM 1688 C PHE A1169 -13.437 -12.005 24.935 1.00 7.64 C ATOM 1689 O PHE A1169 -14.271 -12.775 25.387 1.00 9.43 O ATOM 1690 CB PHE A1169 -13.449 -9.576 25.491 1.00 8.13 C ATOM 1691 CG PHE A1169 -14.224 -9.702 26.789 1.00 8.06 C ATOM 1692 CD1 PHE A1169 -13.771 -10.502 27.832 1.00 8.35 C ATOM 1693 CD2 PHE A1169 -15.416 -9.007 26.957 1.00 6.98 C ATOM 1694 CE1 PHE A1169 -14.482 -10.603 29.009 1.00 7.82 C ATOM 1695 CE2 PHE A1169 -16.140 -9.147 28.130 1.00 8.40 C ATOM 1696 CZ PHE A1169 -15.666 -9.973 29.146 1.00 9.92 C ATOM 1697 H PHE A1169 -15.941 -11.053 24.584 1.00 0.00 H ATOM 1698 N ILE A1170 -12.140 -12.301 24.864 1.00 9.21 N ATOM 1699 CA ILE A1170 -11.601 -13.555 25.411 1.00 8.20 C ATOM 1700 C ILE A1170 -11.364 -13.315 26.894 1.00 10.30 C ATOM 1701 O ILE A1170 -10.511 -12.492 27.247 1.00 7.47 O ATOM 1702 CB ILE A1170 -10.286 -13.977 24.737 1.00 6.47 C ATOM 1703 CG1 ILE A1170 -10.447 -14.067 23.214 1.00 9.97 C ATOM 1704 CG2 ILE A1170 -9.824 -15.355 25.252 1.00 9.01 C ATOM 1705 CD1 ILE A1170 -9.195 -13.804 22.462 1.00 13.65 C ATOM 1706 H ILE A1170 -11.491 -11.627 24.409 1.00 0.00 H ATOM 1707 N PRO A1171 -12.063 -13.983 27.793 1.00 9.72 N ATOM 1708 CA PRO A1171 -11.860 -13.682 29.209 1.00 10.75 C ATOM 1709 C PRO A1171 -10.480 -14.125 29.660 1.00 7.97 C ATOM 1710 O PRO A1171 -9.916 -15.104 29.170 1.00 8.95 O ATOM 1711 CB PRO A1171 -12.969 -14.471 29.918 1.00 14.30 C ATOM 1712 CG PRO A1171 -13.575 -15.328 28.920 1.00 15.83 C ATOM 1713 CD PRO A1171 -13.127 -14.975 27.574 1.00 10.73 C ATOM 1714 N VAL A1172 -9.964 -13.432 30.669 1.00 7.94 N ATOM 1715 CA VAL A1172 -8.603 -13.735 31.118 1.00 9.21 C ATOM 1716 C VAL A1172 -8.526 -15.155 31.680 1.00 11.45 C ATOM 1717 O VAL A1172 -7.477 -15.807 31.615 1.00 15.55 O ATOM 1718 CB VAL A1172 -8.155 -12.665 32.144 1.00 12.31 C ATOM 1719 CG1 VAL A1172 -8.913 -12.847 33.458 1.00 18.54 C ATOM 1720 CG2 VAL A1172 -6.656 -12.650 32.362 1.00 17.27 C ATOM 1721 H VAL A1172 -10.518 -12.685 31.134 1.00 0.00 H ATOM 1722 N GLU A1173 -9.633 -15.683 32.184 1.00 12.99 N ATOM 1723 CA GLU A1173 -9.618 -17.067 32.669 1.00 21.75 C ATOM 1724 C GLU A1173 -9.310 -18.048 31.553 1.00 25.11 C ATOM 1725 O GLU A1173 -8.729 -19.123 31.790 1.00 20.23 O ATOM 1726 CB GLU A1173 -10.960 -17.439 33.291 1.00 25.84 C ATOM 1727 CG GLU A1173 -11.256 -16.692 34.558 1.00 27.13 C ATOM 1728 CD GLU A1173 -11.801 -15.308 34.296 1.00 29.99 C ATOM 1729 OE1 GLU A1173 -11.824 -14.519 35.263 1.00 31.59 O ATOM 1730 OE2 GLU A1173 -12.207 -15.023 33.134 1.00 18.81 O ATOM 1731 H GLU A1173 -10.506 -15.120 32.235 1.00 0.00 H ATOM 1732 N SER A1174 -9.754 -17.727 30.348 1.00 15.31 N ATOM 1733 CA SER A1174 -9.526 -18.584 29.212 1.00 17.41 C ATOM 1734 C SER A1174 -8.064 -18.520 28.790 1.00 20.88 C ATOM 1735 O SER A1174 -7.460 -19.540 28.432 1.00 19.52 O ATOM 1736 CB SER A1174 -10.493 -18.167 28.106 1.00 18.31 C ATOM 1737 OG SER A1174 -10.344 -18.960 26.985 1.00 28.69 O ATOM 1738 HG SER A1174 -10.982 -18.667 26.287 1.00 0.00 H ATOM 1739 H SER A1174 -10.278 -16.838 30.218 1.00 0.00 H ATOM 1740 N LEU A1175 -7.456 -17.345 28.894 1.00 18.17 N ATOM 1741 CA LEU A1175 -6.010 -17.260 28.773 1.00 17.46 C ATOM 1742 C LEU A1175 -5.352 -18.160 29.798 1.00 22.18 C ATOM 1743 O LEU A1175 -4.447 -18.933 29.468 1.00 21.52 O ATOM 1744 CB LEU A1175 -5.540 -15.825 28.979 1.00 19.52 C ATOM 1745 CG LEU A1175 -5.531 -14.892 27.768 1.00 21.15 C ATOM 1746 CD1 LEU A1175 -6.824 -14.964 27.029 1.00 16.63 C ATOM 1747 CD2 LEU A1175 -5.264 -13.501 28.290 1.00 12.72 C ATOM 1748 H LEU A1175 -8.015 -16.484 29.062 1.00 0.00 H ATOM 1749 N GLU A1176 -5.819 -18.078 31.052 1.00 18.58 N ATOM 1750 CA GLU A1176 -5.171 -18.786 32.156 1.00 18.91 C ATOM 1751 C GLU A1176 -5.324 -20.288 31.983 1.00 24.66 C ATOM 1752 O GLU A1176 -4.391 -21.036 32.279 1.00 36.75 O ATOM 1753 CB GLU A1176 -5.734 -18.304 33.519 1.00 28.47 C ATOM 1754 CG GLU A1176 -5.106 -16.953 34.042 1.00 30.24 C ATOM 1755 CD GLU A1176 -5.801 -16.315 35.266 1.00 35.49 C ATOM 1756 OE1 GLU A1176 -6.993 -15.931 35.198 1.00 31.73 O ATOM 1757 OE2 GLU A1176 -5.134 -16.140 36.310 1.00 42.71 O ATOM 1758 H GLU A1176 -6.661 -17.498 31.244 1.00 0.00 H ATOM 1759 N THR A1177 -6.464 -20.746 31.457 1.00 29.91 N ATOM 1760 CA THR A1177 -6.600 -22.154 31.092 1.00 32.11 C ATOM 1761 C THR A1177 -5.703 -22.503 29.916 1.00 39.15 C ATOM 1762 O THR A1177 -4.956 -23.488 29.977 1.00 39.26 O ATOM 1763 CB THR A1177 -8.050 -22.490 30.753 1.00 32.05 C ATOM 1764 OG1 THR A1177 -8.855 -22.406 31.939 1.00 42.68 O ATOM 1765 CG2 THR A1177 -8.172 -23.907 30.168 1.00 37.86 C ATOM 1766 HG1 THR A1177 -8.807 -21.487 32.305 1.00 0.00 H ATOM 1767 H THR A1177 -7.261 -20.095 31.306 1.00 0.00 H ATOM 1768 N THR A1178 -5.789 -21.731 28.818 1.00 30.01 N ATOM 1769 CA THR A1178 -4.907 -21.976 27.676 1.00 28.59 C ATOM 1770 C THR A1178 -3.469 -22.116 28.149 1.00 26.17 C ATOM 1771 O THR A1178 -2.708 -22.925 27.606 1.00 36.61 O ATOM 1772 CB THR A1178 -5.021 -20.862 26.616 1.00 33.09 C ATOM 1773 OG1 THR A1178 -6.202 -21.038 25.786 1.00 26.45 O ATOM 1774 CG2 THR A1178 -3.767 -20.837 25.694 1.00 26.66 C ATOM 1775 HG1 THR A1178 -6.150 -21.911 25.321 1.00 0.00 H ATOM 1776 H THR A1178 -6.484 -20.958 28.780 1.00 0.00 H ATOM 1777 N MET A1179 -3.081 -21.364 29.176 1.00 27.53 N ATOM 1778 CA MET A1179 -1.691 -21.407 29.648 1.00 24.49 C ATOM 1779 C MET A1179 -1.340 -22.802 30.167 1.00 41.79 C ATOM 1780 O MET A1179 -1.305 -23.022 31.376 1.00 57.30 O ATOM 1781 CB MET A1179 -1.425 -20.353 30.721 1.00 30.41 C ATOM 1782 CG MET A1179 -1.287 -18.924 30.112 1.00 21.41 C ATOM 1783 SD MET A1179 -0.912 -17.529 31.192 1.00 26.09 S ATOM 1784 CE MET A1179 0.836 -17.707 31.484 1.00 33.39 C ATOM 1785 H MET A1179 -3.767 -20.741 29.648 1.00 0.00 H TER 1786 MET A1179 HETATM 1787 C UNK A 1 -3.733 -3.889 13.156 1.00 7.61 C HETATM 1788 O UNK A 1 -4.937 -3.798 12.890 1.00 9.23 O HETATM 1789 C UNK A 2 -17.963 -11.792 26.512 1.00 10.29 C HETATM 1790 O UNK A 2 -17.560 -11.514 25.360 1.00 8.41 O HETATM 1791 ZN ZN A 1 -9.443 -6.387 39.052 1.00 13.43 ZN HETATM 1792 O HOH 2 0.610 -22.397 32.157 1.00 45.69 O HETATM 1793 O HOH 3 -0.948 -13.801 9.502 1.00 27.04 O HETATM 1794 O HOH 4 -16.221 4.385 35.543 1.00 30.09 O HETATM 1795 O HOH 5 -25.894 -4.324 11.057 1.00 42.46 O HETATM 1796 O HOH 6 -4.833 10.648 24.010 1.00 22.20 O HETATM 1797 O HOH 7 8.179 -28.507 -5.474 1.00 26.59 O HETATM 1798 O HOH 8 -5.850 -23.300 24.736 1.00 29.48 O HETATM 1799 O HOH 9 -23.750 2.769 10.770 1.00 42.32 O HETATM 1800 O HOH 10 23.093 -5.101 15.089 1.00 49.44 O HETATM 1801 O HOH 11 9.436 -0.298 17.482 1.00 30.45 O HETATM 1802 O HOH 12 -2.529 14.378 36.537 1.00 38.75 O HETATM 1803 O HOH 13 13.202 -8.542 37.763 1.00 35.89 O HETATM 1804 O HOH 14 -20.749 -19.534 28.049 1.00 21.05 O HETATM 1805 O HOH 15 9.641 -2.533 15.690 1.00 18.52 O HETATM 1806 O HOH 16 -24.150 -0.547 28.940 1.00 22.12 O HETATM 1807 O HOH 17 -10.788 4.506 19.202 1.00 13.71 O HETATM 1808 O HOH 18 0.668 -6.051 36.392 1.00 32.88 O HETATM 1809 O HOH 19 16.224 -7.947 28.009 1.00 36.64 O HETATM 1810 O HOH 20 -18.996 -13.908 23.371 1.00 16.59 O HETATM 1811 O HOH 21 -18.028 7.738 18.222 1.00 33.04 O HETATM 1812 O HOH 22 0.604 7.745 29.750 1.00 17.53 O HETATM 1813 O HOH 23 -5.524 10.770 34.776 1.00 19.36 O HETATM 1814 O HOH 24 0.443 -0.084 27.621 1.00 18.54 O HETATM 1815 O HOH 25 14.652 -17.247 15.442 1.00 17.59 O HETATM 1816 O HOH 26 -3.437 7.551 14.286 1.00 13.60 O HETATM 1817 O HOH 27 10.155 -13.158 9.793 1.00 15.31 O HETATM 1818 O HOH 28 11.184 -19.552 23.448 1.00 17.50 O HETATM 1819 O HOH 29 -12.442 -27.565 19.075 1.00 20.66 O HETATM 1820 O HOH 30 -5.029 -5.082 3.952 1.00 22.76 O HETATM 1821 O HOH 31 -13.924 -6.491 43.764 1.00 21.94 O HETATM 1822 O HOH 32 -24.558 -0.352 24.458 1.00 27.30 O HETATM 1823 O HOH 33 -3.939 -5.283 42.525 1.00 28.40 O HETATM 1824 O HOH 34 9.116 -15.240 8.121 1.00 30.90 O HETATM 1825 O HOH 35 -9.854 1.203 17.008 1.00 7.96 O HETATM 1826 O HOH 36 1.638 -22.359 19.681 1.00 12.27 O HETATM 1827 O HOH 37 -7.859 8.393 26.595 1.00 17.92 O HETATM 1828 O HOH 38 8.435 -6.761 16.674 1.00 10.99 O HETATM 1829 O HOH 39 11.406 4.561 17.375 1.00 24.06 O HETATM 1830 O HOH 40 -13.968 7.358 24.590 1.00 32.49 O HETATM 1831 O HOH 41 -9.138 -10.339 8.748 1.00 27.36 O HETATM 1832 O HOH 42 -13.567 -8.311 37.246 1.00 20.57 O HETATM 1833 O HOH 43 6.927 -0.792 22.548 1.00 13.58 O HETATM 1834 O HOH 44 -25.582 3.666 28.666 1.00 33.85 O HETATM 1835 O HOH 45 -18.673 3.636 26.502 1.00 12.37 O HETATM 1836 O HOH 46 5.482 -23.471 20.093 1.00 11.45 O HETATM 1837 O HOH 47 -9.957 2.588 13.993 1.00 16.54 O HETATM 1838 O HOH 48 5.805 -13.185 1.693 1.00 34.80 O HETATM 1839 O HOH 49 -17.806 -19.215 30.810 1.00 12.88 O HETATM 1840 O HOH 50 -9.967 8.612 18.444 1.00 31.01 O HETATM 1841 O HOH 51 -4.062 -12.517 39.289 1.00 13.46 O HETATM 1842 O HOH 52 12.867 -12.923 27.473 1.00 31.75 O HETATM 1843 O HOH 53 13.947 -13.185 21.818 1.00 31.83 O HETATM 1844 O HOH 54 4.057 -20.371 11.644 1.00 10.93 O HETATM 1845 O HOH 55 9.227 -9.330 20.200 1.00 25.69 O HETATM 1846 O HOH 56 -19.598 -8.605 38.882 1.00 13.31 O HETATM 1847 O HOH 57 4.932 -23.100 -6.839 1.00 33.75 O HETATM 1848 O HOH 58 7.640 -1.181 30.168 1.00 21.27 O HETATM 1849 O HOH 59 3.511 -5.463 26.102 1.00 15.00 O HETATM 1850 O HOH 60 -24.274 -6.337 33.950 1.00 8.02 O HETATM 1851 O HOH 61 -8.021 -3.172 11.057 1.00 13.07 O HETATM 1852 O HOH 62 0.748 -24.257 23.641 1.00 23.70 O HETATM 1853 O HOH 63 -8.423 -3.018 6.569 1.00 25.41 O HETATM 1854 O HOH 64 -2.695 4.279 16.609 1.00 13.58 O HETATM 1855 O HOH 65 7.575 7.293 19.716 1.00 12.29 O HETATM 1856 O HOH 66 -4.226 6.612 16.631 1.00 10.13 O HETATM 1857 O HOH 67 -4.779 -24.312 21.930 1.00 20.09 O HETATM 1858 O HOH 68 -12.598 -12.302 32.990 1.00 24.80 O HETATM 1859 O HOH 69 -2.339 -10.325 9.095 1.00 12.39 O HETATM 1860 O HOH 70 -19.961 -0.351 33.726 1.00 14.50 O HETATM 1861 O HOH 71 -18.226 -1.801 40.635 1.00 27.34 O HETATM 1862 O HOH 72 5.885 11.256 25.154 1.00 31.73 O HETATM 1863 O HOH 73 -7.708 -16.012 7.627 1.00 26.50 O HETATM 1864 O HOH 74 10.989 -26.393 -6.390 1.00 23.89 O HETATM 1865 O HOH 75 -14.971 -21.125 18.028 1.00 32.86 O HETATM 1866 O HOH 76 -3.403 15.501 29.064 1.00 31.17 O HETATM 1867 O HOH 77 4.542 9.477 29.115 1.00 30.32 O HETATM 1868 O HOH 78 4.113 1.598 10.973 1.00 19.16 O HETATM 1869 O HOH 79 -3.755 -16.361 6.835 1.00 20.80 O HETATM 1870 O HOH 80 15.640 -6.070 10.225 1.00 24.98 O HETATM 1871 O HOH 81 -15.873 -2.404 40.807 1.00 15.55 O HETATM 1872 O HOH 82 9.861 3.249 8.321 1.00 18.45 O HETATM 1873 O HOH 83 14.643 -4.036 11.395 1.00 25.36 O HETATM 1874 O HOH 84 -8.641 -8.646 43.419 1.00 31.49 O HETATM 1875 O HOH 85 6.936 -17.545 22.434 1.00 8.29 O HETATM 1876 O HOH 86 -13.375 2.825 37.835 1.00 17.93 O HETATM 1877 O HOH 87 -18.051 -14.230 14.189 1.00 24.31 O HETATM 1878 O HOH 88 5.686 -8.267 29.985 1.00 17.87 O HETATM 1879 O HOH 89 -13.245 -8.523 10.541 1.00 13.58 O HETATM 1880 O HOH 90 -16.322 -9.965 43.679 1.00 13.56 O HETATM 1881 O HOH 91 6.858 4.128 27.125 1.00 31.35 O HETATM 1882 O HOH 92 10.670 -13.336 26.257 1.00 17.06 O HETATM 1883 O HOH 93 10.389 -13.798 6.016 1.00 25.65 O HETATM 1884 O HOH 94 -2.823 -24.208 33.407 1.00 41.62 O HETATM 1885 O HOH 95 -17.516 -17.358 26.155 1.00 28.03 O HETATM 1886 O HOH 96 -5.593 -15.522 10.466 1.00 11.96 O HETATM 1887 O HOH 97 9.341 -15.215 1.294 1.00 27.66 O HETATM 1888 O HOH 98 -19.217 6.032 28.116 1.00 19.44 O HETATM 1889 O HOH 99 1.687 -17.847 9.278 1.00 14.06 O HETATM 1890 O HOH 100 -17.124 -15.034 19.464 1.00 14.26 O HETATM 1891 O HOH 101 -1.510 5.341 34.900 1.00 19.50 O HETATM 1892 O HOH 102 -21.004 -16.364 25.974 1.00 19.55 O HETATM 1893 O HOH 103 12.244 -5.634 19.883 1.00 23.60 O HETATM 1894 O HOH 104 10.015 -7.528 30.138 1.00 20.55 O HETATM 1895 O HOH 105 9.072 -11.996 22.254 1.00 16.70 O HETATM 1896 O HOH 106 -13.272 7.162 29.347 1.00 35.48 O HETATM 1897 O HOH 107 -11.622 9.062 24.372 1.00 20.54 O HETATM 1898 O HOH 108 10.967 -21.645 -0.840 1.00 28.53 O HETATM 1899 O HOH 109 -11.929 -26.864 15.811 1.00 20.78 O HETATM 1900 O HOH 110 3.782 -17.173 31.981 1.00 17.36 O HETATM 1901 O HOH 111 -7.817 -13.516 9.257 1.00 28.38 O HETATM 1902 O HOH 112 1.957 10.554 20.221 1.00 9.64 O HETATM 1903 O HOH 113 8.749 -12.944 4.323 1.00 30.96 O HETATM 1904 O HOH 114 1.471 11.850 33.625 1.00 34.90 O HETATM 1905 O HOH 115 8.010 -20.832 13.461 1.00 22.12 O HETATM 1906 O HOH 116 4.541 -19.180 15.389 1.00 8.57 O HETATM 1907 O HOH 117 -2.439 -5.084 36.073 1.00 12.63 O HETATM 1908 O HOH 118 -21.656 0.116 39.268 1.00 14.76 O HETATM 1909 O HOH 119 -1.400 -23.605 22.126 1.00 14.59 O HETATM 1910 O HOH 120 12.585 -9.307 23.477 1.00 17.70 O HETATM 1911 O HOH 121 -12.557 -20.639 15.112 1.00 19.91 O HETATM 1912 O HOH 122 2.215 -0.486 10.519 1.00 24.34 O HETATM 1913 O HOH 123 -23.581 -9.150 23.814 1.00 21.75 O HETATM 1914 O HOH 124 -10.400 -24.174 23.339 1.00 22.68 O HETATM 1915 O HOH 125 5.658 -7.007 34.229 1.00 22.74 O HETATM 1916 O HOH 126 -3.114 -16.271 3.083 1.00 27.76 O HETATM 1917 O HOH 127 2.244 2.095 29.194 1.00 22.56 O HETATM 1918 O HOH 128 8.992 -16.805 10.501 1.00 28.52 O HETATM 1919 O HOH 129 -13.815 -17.324 18.093 1.00 23.03 O HETATM 1920 O HOH 130 -17.487 3.174 34.242 1.00 18.05 O HETATM 1921 O HOH 131 -19.970 -15.252 20.566 1.00 32.00 O HETATM 1922 O HOH 132 12.534 -18.877 -2.185 1.00 38.04 O HETATM 1923 O HOH 133 -17.483 0.811 33.176 1.00 13.28 O HETATM 1924 O HOH 134 0.812 -21.786 15.472 1.00 19.99 O HETATM 1925 O HOH 135 -7.013 2.156 39.916 1.00 34.12 O HETATM 1926 O HOH 136 8.492 5.891 22.001 1.00 18.00 O HETATM 1927 O HOH 137 -27.790 -1.537 32.880 1.00 47.75 O HETATM 1928 O HOH 138 -12.465 -5.125 12.026 1.00 9.17 O HETATM 1929 O HOH 139 1.849 -3.317 34.561 1.00 35.86 O HETATM 1930 O HOH 140 -4.639 2.253 9.822 1.00 21.42 O HETATM 1931 O HOH 141 7.454 6.791 26.124 1.00 24.88 O HETATM 1932 O HOH 142 -10.473 8.245 26.403 1.00 13.28 O HETATM 1933 O HOH 143 -12.393 10.098 20.634 1.00 35.70 O HETATM 1934 O HOH 144 11.991 -13.208 23.738 1.00 23.52 O HETATM 1935 O HOH 145 -19.480 -5.141 39.779 1.00 12.28 O HETATM 1936 O HOH 146 -5.983 -9.381 40.619 1.00 18.41 O HETATM 1937 O HOH 147 -3.667 8.763 21.120 1.00 14.25 O HETATM 1938 O HOH 148 -5.950 -4.105 9.578 1.00 10.95 O HETATM 1939 O HOH 149 -12.715 -12.337 39.165 1.00 20.04 O HETATM 1940 O HOH 150 -21.753 -8.491 15.289 1.00 17.36 O HETATM 1941 O HOH 151 -5.007 -14.746 38.971 1.00 27.85 O HETATM 1942 O HOH 152 8.481 -0.758 20.208 1.00 18.99 O HETATM 1943 O HOH 153 10.460 3.704 22.271 1.00 28.93 O HETATM 1944 O HOH 154 11.519 2.073 20.328 1.00 26.59 O HETATM 1945 O HOH 155 -7.987 -6.044 8.115 1.00 28.63 O HETATM 1946 O HOH 156 -8.313 4.106 12.238 1.00 33.38 O HETATM 1947 O HOH 157 14.736 -15.460 18.316 1.00 23.13 O HETATM 1948 O HOH 158 14.881 1.662 20.157 1.00 31.19 O HETATM 1949 O HOH 159 0.478 1.319 33.836 1.00 30.78 O HETATM 1950 O HOH 160 -9.850 -20.503 11.070 1.00 31.76 O HETATM 1951 O HOH 161 12.488 -6.717 22.966 1.00 25.85 O HETATM 1952 O HOH 162 9.581 -2.681 18.910 1.00 29.79 O HETATM 1953 O HOH 163 6.709 -19.646 11.273 1.00 19.27 O HETATM 1954 O HOH 164 6.289 7.226 29.160 1.00 31.89 O HETATM 1955 O HOH 165 13.262 1.335 26.634 1.00 37.15 O HETATM 1956 O HOH 166 -2.838 -0.974 34.729 1.00 25.18 O HETATM 1957 O HOH 167 14.359 -24.397 -9.468 1.00 22.06 O HETATM 1958 O HOH 168 5.502 -16.337 10.304 1.00 17.67 O HETATM 1959 O HOH 169 1.249 3.358 14.542 1.00 26.90 O HETATM 1960 O HOH 170 13.771 -17.773 22.705 1.00 28.56 O HETATM 1961 O HOH 171 9.521 -23.372 17.355 1.00 20.46 O HETATM 1962 O HOH 172 -7.696 1.973 12.438 1.00 28.36 O HETATM 1963 O HOH 173 -0.153 -2.812 7.995 1.00 23.95 O HETATM 1964 O HOH 174 -0.641 -16.818 8.454 1.00 15.98 O HETATM 1965 O HOH 175 20.108 -8.046 19.190 1.00 37.64 O HETATM 1966 O HOH 176 0.938 10.447 30.376 1.00 29.35 O HETATM 1967 O HOH 177 -27.582 0.955 16.027 1.00 32.15 O HETATM 1968 O HOH 178 -2.401 -28.195 25.966 1.00 44.16 O HETATM 1969 O HOH 179 11.509 -11.483 22.400 1.00 25.12 O HETATM 1970 O HOH 180 -11.273 5.548 14.632 1.00 27.11 O HETATM 1971 O HOH 181 14.959 -1.752 10.110 1.00 34.25 O HETATM 1972 O HOH 182 13.386 -19.375 -6.569 1.00 34.77 O HETATM 1973 O HOH 183 2.283 -24.162 -9.320 1.00 41.24 O HETATM 1974 O HOH 184 0.931 2.384 13.033 1.00 26.65 O HETATM 1975 O HOH 185 -16.953 7.491 27.376 1.00 28.30 O HETATM 1976 O HOH 186 -12.001 -13.007 10.208 1.00 32.49 O HETATM 1977 O HOH 187 -1.896 -25.727 20.337 1.00 26.10 O HETATM 1978 O HOH 188 -4.471 -11.605 6.415 1.00 29.33 O HETATM 1979 O HOH 189 -2.902 -12.650 6.239 1.00 29.40 O HETATM 1980 O HOH 190 3.504 -11.319 4.382 1.00 25.45 O HETATM 1981 O HOH 191 -29.230 -3.918 18.942 1.00 52.36 O HETATM 1982 O HOH 192 11.281 -20.010 1.689 1.00 32.17 O HETATM 1983 O HOH 193 -2.226 -1.053 37.832 1.00 32.57 O HETATM 1984 O HOH 194 -10.276 -5.328 8.002 1.00 31.59 O HETATM 1985 O HOH 195 -16.174 6.311 14.527 1.00 25.37 O HETATM 1986 O HOH 196 -26.164 -2.674 35.419 1.00 34.20 O HETATM 1987 O HOH 197 1.358 -16.945 35.452 1.00 39.79 O HETATM 1988 O HOH 198 -18.836 -15.880 21.929 1.00 39.09 O HETATM 1989 O HOH 199 -3.661 -13.899 9.220 1.00 22.09 O HETATM 1990 O HOH 200 3.505 -14.705 35.579 1.00 31.02 O HETATM 1991 O HOH 201 -24.417 0.318 31.947 1.00 28.35 O HETATM 1992 O HOH 202 -6.272 -2.764 5.768 1.00 32.19 O HETATM 1993 O HOH 203 5.186 2.697 28.481 1.00 28.96 O HETATM 1994 O HOH 204 -1.912 -4.471 38.436 1.00 28.76 O HETATM 1995 O HOH 205 -6.831 -0.700 11.870 1.00 24.40 O HETATM 1996 O HOH 206 -16.001 -17.176 19.697 1.00 31.98 O HETATM 1997 O HOH 207 14.343 -6.499 36.985 1.00 36.11 O HETATM 1998 O HOH 208 -5.082 -2.243 7.768 1.00 18.31 O HETATM 1999 O HOH 209 -10.796 -24.736 26.095 1.00 39.91 O HETATM 2000 O HOH 210 23.245 -3.750 17.536 1.00 44.90 O HETATM 2001 O HOH 211 -26.037 0.272 27.982 1.00 38.68 O HETATM 2002 O HOH 212 -4.286 -9.162 42.139 1.00 30.68 O HETATM 2003 O HOH 213 8.038 -10.622 4.225 1.00 31.55 O HETATM 2004 O HOH 214 -2.062 -2.214 7.730 1.00 25.05 O HETATM 2005 O HOH 215 -24.140 -9.533 16.121 1.00 25.34 O HETATM 2006 O HOH 216 -0.062 -3.240 35.831 1.00 37.82 O HETATM 2007 O HOH 217 -1.754 -28.587 34.380 1.00 42.84 O HETATM 2008 O HOH 218 4.843 -13.262 35.302 1.00 27.70 O HETATM 2009 O HOH 219 -0.014 -21.570 34.982 1.00 49.35 O HETATM 2010 O HOH 220 -24.905 -11.334 18.467 1.00 37.08 O HETATM 2011 O HOH 221 -22.208 10.176 24.095 1.00 44.19 O HETATM 2012 O HOH 222 -22.563 0.761 33.938 1.00 20.13 O HETATM 2013 O HOH 223 11.050 -7.398 20.974 1.00 29.82 O HETATM 2014 O HOH 224 -13.342 -18.463 11.078 1.00 39.44 O HETATM 2015 O HOH 225 4.181 -17.990 8.680 1.00 20.91 O HETATM 2016 O HOH 226 10.330 -18.345 -9.855 1.00 33.31 O HETATM 2017 O HOH 227 15.840 -20.880 -6.194 1.00 37.33 O HETATM 2018 O HOH 228 -1.637 -29.862 26.624 1.00 45.47 O HETATM 2019 O HOH 229 13.941 -0.972 4.488 1.00 42.50 O HETATM 2020 O HOH 230 -5.946 -15.150 5.698 1.00 38.39 O HETATM 2021 O HOH 231 12.511 -19.704 -8.876 1.00 24.42 O HETATM 2022 O HOH 232 11.961 -19.991 13.525 1.00 28.66 O HETATM 2023 O HOH 233 -13.008 -10.020 46.202 1.00 22.81 O HETATM 2024 O HOH 234 5.594 -22.921 -10.376 1.00 21.92 O HETATM 2025 O HOH 235 -25.602 -7.976 22.672 1.00 23.88 O HETATM 2026 O HOH 236 3.225 -10.364 35.744 1.00 32.48 O HETATM 2027 O HOH 237 -11.059 10.771 18.540 1.00 26.04 O HETATM 2028 O HOH 238 -10.999 -8.208 45.614 1.00 21.95 O HETATM 2029 O HOH 239 2.489 -1.279 7.906 1.00 35.37 O HETATM 2030 O HOH 240 -1.247 -19.113 35.012 1.00 38.82 O HETATM 2031 O HOH 241 -8.514 -7.536 5.047 1.00 31.95 O HETATM 2032 O HOH 242 10.942 6.326 18.647 1.00 38.71 O HETATM 2033 O HOH 243 15.373 -22.392 -8.454 1.00 31.69 O HETATM 2034 O HOH 244 -14.686 10.868 18.633 1.00 32.27 O HETATM 2035 O HOH 245 -0.015 5.017 15.869 1.00 16.73 O HETATM 2036 O HOH 246 -24.803 -10.391 26.033 1.00 21.37 O HETATM 2037 O HOH 247 -25.937 6.777 23.873 1.00 44.60 O HETATM 2038 O HOH 248 -11.169 -10.603 10.134 1.00 19.04 O HETATM 2039 O HOH 249 15.124 -9.931 23.732 1.00 31.65 O HETATM 2040 O HOH 250 -9.859 -10.397 5.678 1.00 55.62 O HETATM 2041 O HOH 251 1.350 -9.008 1.284 1.00 41.69 O HETATM 2042 O HOH 252 -18.125 5.785 33.091 1.00 36.95 O HETATM 2043 O HOH 253 -19.422 6.630 31.223 1.00 24.12 O HETATM 2044 O HOH 254 -9.077 -9.882 3.676 1.00 47.61 O HETATM 2045 O HOH 255 4.535 -8.839 1.566 1.00 41.84 O HETATM 2046 O HOH 256 -15.463 11.742 28.515 1.00 34.05 O HETATM 2047 O HOH 257 15.360 10.227 20.945 1.00 46.12 O HETATM 2048 C13 FH A 1 -13.570 -9.822 14.196 1.00 0.14 C HETATM 2049 C03 FH A 1 -12.849 -10.833 13.270 1.00 0.02 C HETATM 2050 C02 FH A 1 -13.820 -11.679 12.942 1.00 0.11 C HETATM 2051 C04 FH A 1 -15.113 -10.755 12.663 1.00 0.07 C HETATM 2052 N14 FH A 1 -14.989 -9.842 13.633 1.00 -0.25 N HETATM 2053 C01 FH A 1 -15.997 -8.920 14.150 1.00 0.21 C HETATM 2054 C16 FH A 1 -17.387 -8.998 13.514 1.00 0.14 C HETATM 2055 C24 FH A 1 -17.613 -7.708 12.703 1.00 0.00 C HETATM 2056 C26 FH A 1 -18.896 -7.985 11.890 1.00 -0.06 C HETATM 2057 H5 FH A 1 -19.136 -7.106 11.274 1.00 0.02 H HETATM 2058 H6 FH A 1 -19.729 -8.189 12.578 1.00 0.02 H HETATM 2059 H7 FH A 1 -18.736 -8.857 11.239 1.00 0.02 H HETATM 2060 C25 FH A 1 -17.781 -6.462 13.589 1.00 -0.06 C HETATM 2061 H22 FH A 1 -17.938 -5.578 12.953 1.00 0.02 H HETATM 2062 H23 FH A 1 -16.875 -6.320 14.197 1.00 0.02 H HETATM 2063 H24 FH A 1 -18.649 -6.597 14.251 1.00 0.02 H HETATM 2064 C27 FH A 1 -16.494 -7.384 11.692 1.00 -0.06 C HETATM 2065 H25 FH A 1 -16.335 -8.249 11.031 1.00 0.02 H HETATM 2066 H26 FH A 1 -15.563 -7.161 12.234 1.00 0.02 H HETATM 2067 H27 FH A 1 -16.786 -6.511 11.089 1.00 0.02 H HETATM 2068 N17 FH A 1 -18.343 -9.161 14.544 1.00 -0.24 N HETATM 2069 C18 FH A 1 -18.680 -10.504 14.907 1.00 0.32 C HETATM 2070 O19 FH A 1 -18.281 -11.455 14.324 1.00 -0.38 O HETATM 2071 O20 FH A 1 -19.519 -10.582 15.987 1.00 -0.26 O HETATM 2072 C21 FH A 1 -20.001 -11.773 16.275 1.00 0.09 C HETATM 2073 C22 FH A 1 -21.150 -11.553 17.370 1.00 -0.02 C HETATM 2074 C51 FH A 1 -20.376 -11.351 18.473 1.00 -0.05 C HETATM 2075 C52 FH A 1 -19.216 -12.495 18.378 1.00 -0.05 C HETATM 2076 C23 FH A 1 -18.913 -12.572 17.039 1.00 -0.02 C HETATM 2077 H20 FH A 1 -17.922 -12.133 16.851 1.00 0.03 H HETATM 2078 H21 FH A 1 -18.917 -13.622 16.712 1.00 0.03 H HETATM 2079 H43 FH A 1 -18.331 -12.199 18.960 1.00 0.03 H HETATM 2080 H44 FH A 1 -19.592 -13.461 18.747 1.00 0.03 H HETATM 2081 H41 FH A 1 -20.969 -11.475 19.391 1.00 0.03 H HETATM 2082 H42 FH A 1 -19.931 -10.345 18.456 1.00 0.03 H HETATM 2083 H3 FH A 1 -21.791 -12.441 17.476 1.00 0.03 H HETATM 2084 H4 FH A 1 -21.773 -10.676 17.140 1.00 0.03 H HETATM 2085 H2 FH A 1 -20.359 -12.299 15.378 1.00 0.06 H HETATM 2086 H49 FH A 1 -18.764 -8.375 14.997 1.00 0.19 H HETATM 2087 H19 FH A 1 -17.440 -9.863 12.836 1.00 0.08 H HETATM 2088 O15 FH A 1 -15.747 -8.167 15.053 1.00 -0.39 O HETATM 2089 H11 FH A 1 -16.047 -11.327 12.764 1.00 0.06 H HETATM 2090 H12 FH A 1 -15.072 -10.293 11.666 1.00 0.06 H HETATM 2091 O28 FH A 1 -14.369 -12.462 14.049 1.00 -0.29 O HETATM 2092 C29 FH A 1 -13.693 -13.646 14.259 1.00 0.20 C HETATM 2093 C30 FH A 1 -13.960 -14.392 15.533 1.00 0.09 C HETATM 2094 C31 FH A 1 -14.968 -13.865 16.530 1.00 -0.01 C HETATM 2095 H28 FH A 1 -15.022 -14.546 17.392 1.00 0.04 H HETATM 2096 H29 FH A 1 -15.957 -13.800 16.052 1.00 0.04 H HETATM 2097 H30 FH A 1 -14.659 -12.866 16.871 1.00 0.04 H HETATM 2098 N32 FH A 1 -13.256 -15.581 15.827 1.00 -0.28 N HETATM 2099 C33 FH A 1 -12.299 -16.041 14.858 1.00 0.05 C HETATM 2100 C34 FH A 1 -11.566 -17.339 15.186 1.00 -0.04 C HETATM 2101 C35 FH A 1 -10.580 -17.817 14.189 1.00 -0.02 C HETATM 2102 C36 FH A 1 -10.318 -17.038 12.931 1.00 0.10 C HETATM 2103 C37 FH A 1 -11.048 -15.763 12.560 1.00 -0.02 C HETATM 2104 C38 FH A 1 -12.057 -15.296 13.587 1.00 0.04 C HETATM 2105 N39 FH A 1 -12.749 -14.080 13.285 1.00 -0.26 N HETATM 2106 H33 FH A 1 -10.863 -15.229 11.635 1.00 0.05 H HETATM 2107 O40 FH A 1 -9.425 -17.618 12.092 1.00 -0.32 O HETATM 2108 C41 FH A 1 -9.155 -16.895 10.896 1.00 0.06 C HETATM 2109 H34 FH A 1 -8.423 -17.449 10.290 1.00 0.06 H HETATM 2110 H35 FH A 1 -8.747 -15.905 11.150 1.00 0.06 H HETATM 2111 H36 FH A 1 -10.086 -16.772 10.324 1.00 0.06 H HETATM 2112 H32 FH A 1 -10.041 -18.740 14.369 1.00 0.06 H HETATM 2113 H31 FH A 1 -11.757 -17.884 16.103 1.00 0.06 H HETATM 2114 H8 FH A 1 -13.519 -12.311 12.093 1.00 0.07 H HETATM 2115 H9 FH A 1 -12.037 -11.350 13.803 1.00 0.03 H HETATM 2116 H10 FH A 1 -12.442 -10.333 12.379 1.00 0.03 H HETATM 2117 C11 FH A 1 -13.159 -8.402 14.157 1.00 0.20 C HETATM 2118 N10 FH A 1 -12.567 -7.890 15.372 1.00 -0.27 N HETATM 2119 C09 FH A 1 -12.243 -6.511 15.632 1.00 0.15 C HETATM 2120 C07 FH A 1 -13.492 -5.675 15.957 1.00 0.02 C HETATM 2121 C06 FH A 1 -13.513 -4.187 15.531 1.00 -0.08 C HETATM 2122 C05 FH A 1 -14.558 -3.746 14.802 1.00 -0.12 C HETATM 2123 H13 FH A 1 -14.601 -2.704 14.487 1.00 0.03 H HETATM 2124 H14 FH A 1 -15.359 -4.431 14.528 1.00 0.03 H HETATM 2125 H15 FH A 1 -12.705 -3.514 15.813 1.00 0.07 H HETATM 2126 C08 FH A 1 -12.553 -6.098 17.067 1.00 -0.00 C HETATM 2127 H17 FH A 1 -12.874 -6.855 17.798 1.00 0.03 H HETATM 2128 H18 FH A 1 -11.925 -5.347 17.569 1.00 0.03 H HETATM 2129 H16 FH A 1 -14.498 -6.111 15.876 1.00 0.05 H HETATM 2130 C42 FH A 1 -11.042 -5.838 15.078 1.00 0.25 C HETATM 2131 N44 FH A 1 -10.344 -6.646 14.129 1.00 -0.15 N HETATM 2132 S45 FH A 1 -9.036 -5.910 13.487 1.00 0.07 S HETATM 2133 C48 FH A 1 -8.382 -7.017 12.244 1.00 0.11 C HETATM 2134 C49 FH A 1 -7.287 -7.929 12.737 1.00 -0.02 C HETATM 2135 C50 FH A 1 -6.929 -6.733 11.877 1.00 -0.02 C HETATM 2136 H39 FH A 1 -6.407 -5.872 12.320 1.00 0.03 H HETATM 2137 H40 FH A 1 -6.582 -6.881 10.844 1.00 0.03 H HETATM 2138 H37 FH A 1 -7.195 -8.946 12.328 1.00 0.03 H HETATM 2139 H38 FH A 1 -7.019 -7.937 13.804 1.00 0.03 H HETATM 2140 C53 FH A 1 -9.379 -7.544 11.215 1.00 -0.04 C HETATM 2141 H45 FH A 1 -8.860 -8.210 10.509 1.00 0.03 H HETATM 2142 H46 FH A 1 -9.820 -6.699 10.665 1.00 0.03 H HETATM 2143 H47 FH A 1 -10.175 -8.103 11.729 1.00 0.03 H HETATM 2144 O46 FH A 1 -7.976 -5.487 14.392 1.00 -0.15 O HETATM 2145 O47 FH A 1 -9.523 -4.761 12.707 1.00 -0.15 O HETATM 2146 H50 FH A 1 -10.629 -7.572 13.882 1.00 0.21 H HETATM 2147 O43 FH A 1 -10.670 -4.775 15.432 1.00 -0.34 O HETATM 2148 H48 FH A 1 -12.365 -8.551 16.095 1.00 0.18 H HETATM 2149 O12 FH A 1 -13.277 -7.686 13.201 1.00 -0.39 O HETATM 2150 H1 FH A 1 -13.525 -10.178 15.236 1.00 0.08 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 549 539 550 551 552 CONECT 550 549 CONECT 551 549 CONECT 552 549 CONECT 1058 1057 1791 CONECT 1074 1073 1791 CONECT 1295 1288 1296 1297 1298 CONECT 1296 1295 CONECT 1297 1295 CONECT 1298 1295 CONECT 1501 1500 1791 CONECT 1527 1526 1529 1791 CONECT 1787 1788 CONECT 1788 1787 CONECT 1789 1790 CONECT 1790 1789 CONECT 1791 1058 1074 1501 1527 CONECT 2048 2049 2052 2117 2150 CONECT 2049 2048 2050 2115 2116 CONECT 2050 2049 2051 2091 2114 CONECT 2051 2050 2052 2089 2090 CONECT 2052 2048 2051 2053 CONECT 2053 2052 2054 2088 CONECT 2054 2053 2055 2068 2087 CONECT 2055 2054 2056 2060 2064 CONECT 2056 2055 2057 2058 2059 CONECT 2057 2056 CONECT 2058 2056 CONECT 2059 2056 CONECT 2060 2055 2061 2062 2063 CONECT 2061 2060 CONECT 2062 2060 CONECT 2063 2060 CONECT 2064 2055 2065 2066 2067 CONECT 2065 2064 CONECT 2066 2064 CONECT 2067 2064 CONECT 2068 2054 2069 2086 CONECT 2069 2068 2070 2071 CONECT 2070 2069 CONECT 2071 2069 2072 CONECT 2072 2071 2073 2076 2085 CONECT 2073 2072 2074 2083 2084 CONECT 2074 2073 2075 2081 2082 CONECT 2075 2074 2076 2079 2080 CONECT 2076 2072 2075 2077 2078 CONECT 2077 2076 CONECT 2078 2076 CONECT 2079 2075 CONECT 2080 2075 CONECT 2081 2074 CONECT 2082 2074 CONECT 2083 2073 CONECT 2084 2073 CONECT 2085 2072 CONECT 2086 2068 CONECT 2087 2054 CONECT 2088 2053 CONECT 2089 2051 CONECT 2090 2051 CONECT 2091 2050 2092 CONECT 2092 2091 2093 2105 CONECT 2093 2092 2094 2098 CONECT 2094 2093 2095 2096 2097 CONECT 2095 2094 CONECT 2096 2094 CONECT 2097 2094 CONECT 2098 2093 2099 CONECT 2099 2098 2100 2104 CONECT 2100 2099 2101 2113 CONECT 2101 2100 2102 2112 CONECT 2102 2101 2103 2107 CONECT 2103 2102 2104 2106 CONECT 2104 2099 2103 2105 CONECT 2105 2092 2104 CONECT 2106 2103 CONECT 2107 2102 2108 CONECT 2108 2107 2109 2110 2111 CONECT 2109 2108 CONECT 2110 2108 CONECT 2111 2108 CONECT 2112 2101 CONECT 2113 2100 CONECT 2114 2050 CONECT 2115 2049 CONECT 2116 2049 CONECT 2117 2048 2118 2149 CONECT 2118 2117 2119 2148 CONECT 2119 2118 2120 2126 2130 CONECT 2120 2119 2121 2126 2129 CONECT 2121 2120 2122 2125 CONECT 2122 2121 2123 2124 CONECT 2123 2122 CONECT 2124 2122 CONECT 2125 2121 CONECT 2126 2119 2120 2127 2128 CONECT 2127 2126 CONECT 2128 2126 CONECT 2129 2120 CONECT 2130 2119 2131 2147 CONECT 2131 2130 2132 2146 CONECT 2132 2131 2133 2144 2145 CONECT 2133 2132 2134 2135 2140 CONECT 2134 2133 2135 2138 2139 CONECT 2135 2133 2134 2136 2137 CONECT 2136 2135 CONECT 2137 2135 CONECT 2138 2134 CONECT 2139 2134 CONECT 2140 2133 2141 2142 2143 CONECT 2141 2140 CONECT 2142 2140 CONECT 2143 2140 CONECT 2144 2132 CONECT 2145 2132 CONECT 2146 2131 CONECT 2147 2130 CONECT 2148 2118 CONECT 2149 2117 CONECT 2150 2048 MASTER 0 0 0 0 0 0 0 0 2147 3 124 17 END
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Structure:
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Related entries of code: 6cvw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
198aa, >3SU0_1|Chain... at 96%
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203aa, >3SU1_1|Chain... at 95%
3su2
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203aa, >3SU2_1|Chain... at 95%
3su3
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PDBbind
203aa, >3SU3_1|Chain... at 96%
3su4
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PDBbind
203aa, >3SU4_1|Chains... at 95%
3su5
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PDBbind
203aa, >3SU5_1|Chain... at 95%
3su6
RCSB PDB
PDBbind
203aa, >3SU6_1|Chain... at 95%
3sud
RCSB PDB
PDBbind
203aa, >3SUD_1|Chains... at 96%
3sue
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PDBbind
203aa, >3SUE_1|Chains... at 96%
3suf
RCSB PDB
PDBbind
203aa, >3SUF_1|Chains... at 96%
3sug
RCSB PDB
PDBbind
203aa, >3SUG_1|Chain... at 95%
3sv6
RCSB PDB
PDBbind
203aa, >3SV6_1|Chain... at 96%
3sv7
RCSB PDB
PDBbind
203aa, >3SV7_1|Chain... at 96%
3sv8
RCSB PDB
PDBbind
203aa, >3SV8_1|Chain... at 96%
3sv9
RCSB PDB
PDBbind
203aa, >3SV9_1|Chain... at 96%
4nwk
RCSB PDB
PDBbind
219aa, >4NWK_1|Chain... *
5epn
RCSB PDB
PDBbind
197aa, >5EPN_1|Chain... at 97%
5epy
RCSB PDB
PDBbind
198aa, >5EPY_1|Chain... at 96%
5eqq
RCSB PDB
PDBbind
190aa, >5EQQ_1|Chain... at 99%
5etx
RCSB PDB
PDBbind
194aa, >5ETX_1|Chains... at 98%
5voj
RCSB PDB
PDBbind
203aa, >5VOJ_1|Chain... at 96%
5vp9
RCSB PDB
PDBbind
203aa, >5VP9_1|Chain... at 96%
6bqj
RCSB PDB
PDBbind
219aa, >6BQJ_1|Chains... at 100%
6bqk
RCSB PDB
PDBbind
219aa, >6BQK_1|Chains... at 100%
6cvx
RCSB PDB
PDBbind
201aa, >6CVX_1|Chain... at 97%
6cvy
RCSB PDB
PDBbind
201aa, >6CVY_1|Chain... at 97%
6nzt
RCSB PDB
PDBbind
203aa, >6NZT_1|Chain... at 96%
6nzv
RCSB PDB
PDBbind
203aa, >6NZV_1|Chain... at 96%
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
6cvw
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HCV NS3/4A WT protease
Ligand Name
FH1
EC.Number
E.C.-.-.-.-
Resolution
1.78(Å)
Affinity (Kd/Ki/IC50)
Ki=7.1nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) ACS Med Chem Lett Vol. 9: pp. 691-696
Ligand Properties
Formula
C
3
7
H
5
0
N
6
O
9
S
Molecular Weight
754.893
Exact Mass
754.336
No. of atoms
103
No. of bonds
108
Polar Surface Area
203.6
LOGP Value
4.28 (
Computed with XLOGP3
)
5.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 6
Canonical SMILES
COc1ccc2c(c1)nc(c(n2)C)O[C@@H]1C[C@H](N(C1)C(=O)[C@H](C(C)(C)C)NC(=O)OC1CCCC1)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1(C)CC1
InChI String
InChI=1S/C37H50N6O9S/c1-8-22-19-37(22,33(46)42-53(48,49)36(6)15-16-36)41-30(44)28-18-25(51-31-21(2)38-26-14-13-24(50-7)17-27(26)39-31)20-43(28)32(45)29(35(3,4)5)40-34(47)52-23-11-9-10-12-23/h8,13-14,17,22-23,25,28-29H,1,9-12,15-16,18-20H2,2-7H3,(H,40,47)(H,41,44)(H,42,46)/t22-,25-,28+,29-,37-/m1/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):
A0A0B4WYC6
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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