Browse entries in the PDBbind-CN Database
HEADER 6CVY_COMPLEX COMPND 6CVY_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 58 ARG GLY SER LEU LEU SER PRO ARG PRO ILE SER TYR LEU SEQRES 2 A 58 LYS GLY SER SER GLY GLY PRO LEU LEU CYS PRO ALA GLY SEQRES 3 A 58 HIS ALA VAL GLY ILE PHE ARG ALA ALA VAL CYS THR ARG SEQRES 4 A 58 GLY VAL ALA LYS ALA VAL ASP PHE ILE PRO VAL GLU SER SEQRES 5 A 58 LEU GLU THR THR MET ARG HET ZN A 1 1 HET FHD A 422 100 ATOM 1 N SER A 981 3.361 -25.807 -6.836 1.00 30.41 N ATOM 2 CA SER A 981 4.116 -27.053 -6.916 1.00 23.61 C ATOM 3 C SER A 981 5.628 -26.820 -7.027 1.00 28.83 C ATOM 4 O SER A 981 6.402 -27.781 -6.980 1.00 26.44 O ATOM 5 CB SER A 981 3.644 -27.897 -8.109 1.00 31.04 C ATOM 6 OG SER A 981 2.400 -28.536 -7.842 1.00 38.91 O ATOM 7 HG SER A 981 2.128 -29.069 -8.631 1.00 0.00 H ATOM 8 HN3 SER A 981 3.536 -25.242 -7.691 1.00 0.00 H ATOM 9 HN2 SER A 981 3.665 -25.272 -5.997 1.00 0.00 H ATOM 10 HN1 SER A 981 2.346 -26.022 -6.763 1.00 0.00 H ATOM 11 N HIS A 982 6.062 -25.566 -7.183 1.00 20.76 N ATOM 12 CA HIS A 982 7.490 -25.258 -7.290 1.00 24.11 C ATOM 13 C HIS A 982 8.003 -24.782 -5.933 1.00 27.29 C ATOM 14 O HIS A 982 7.973 -23.589 -5.619 1.00 21.23 O ATOM 15 CB HIS A 982 7.773 -24.221 -8.370 1.00 25.78 C ATOM 16 CG HIS A 982 9.237 -23.941 -8.525 1.00 30.52 C ATOM 17 ND1 HIS A 982 9.824 -22.777 -8.084 1.00 23.49 N ATOM 18 CD2 HIS A 982 10.245 -24.713 -8.998 1.00 36.97 C ATOM 19 CE1 HIS A 982 11.125 -22.827 -8.311 1.00 21.80 C ATOM 20 NE2 HIS A 982 11.406 -23.991 -8.868 1.00 28.57 N ATOM 21 H HIS A 982 5.370 -24.791 -7.230 1.00 0.00 H ATOM 22 N MET A 983 8.541 -25.714 -5.153 1.00 23.56 N ATOM 23 CA MET A 983 8.861 -25.407 -3.770 1.00 24.17 C ATOM 24 C MET A 983 9.977 -24.378 -3.658 1.00 20.83 C ATOM 25 O MET A 983 9.989 -23.583 -2.715 1.00 26.20 O ATOM 26 CB MET A 983 9.237 -26.693 -3.036 1.00 33.20 C ATOM 27 CG MET A 983 8.050 -27.605 -2.756 1.00 28.04 C ATOM 28 SD MET A 983 6.714 -26.844 -1.785 1.00 28.09 S ATOM 29 CE MET A 983 5.498 -26.682 -3.096 1.00 31.10 C ATOM 30 H MET A 983 8.733 -26.663 -5.533 1.00 0.00 H ATOM 31 N ALA A 984 10.920 -24.363 -4.596 1.00 22.03 N ATOM 32 CA ALA A 984 12.057 -23.471 -4.423 1.00 18.22 C ATOM 33 C ALA A 984 11.651 -22.005 -4.440 1.00 19.78 C ATOM 34 O ALA A 984 12.394 -21.164 -3.923 1.00 29.31 O ATOM 35 CB ALA A 984 13.108 -23.734 -5.502 1.00 22.27 C ATOM 36 H ALA A 984 10.847 -24.975 -5.434 1.00 0.00 H ATOM 37 N SER A 985 10.510 -21.667 -5.032 1.00 17.08 N ATOM 38 CA SER A 985 10.082 -20.275 -5.115 1.00 25.99 C ATOM 39 C SER A 985 8.906 -19.991 -4.198 1.00 29.03 C ATOM 40 O SER A 985 8.317 -18.903 -4.267 1.00 24.41 O ATOM 41 CB SER A 985 9.729 -19.911 -6.558 1.00 27.39 C ATOM 42 OG SER A 985 8.650 -20.694 -7.021 1.00 22.61 O ATOM 43 HG SER A 985 8.899 -21.652 -6.984 1.00 0.00 H ATOM 44 H SER A 985 9.910 -22.410 -5.444 1.00 0.00 H ATOM 45 N MET A 986 8.547 -20.939 -3.339 1.00 26.07 N ATOM 46 CA MET A 986 7.472 -20.691 -2.397 1.00 20.08 C ATOM 47 C MET A 986 7.926 -19.629 -1.413 1.00 22.28 C ATOM 48 O MET A 986 9.064 -19.648 -0.926 1.00 22.45 O ATOM 49 CB MET A 986 7.062 -21.979 -1.678 1.00 19.58 C ATOM 50 CG MET A 986 6.261 -22.915 -2.581 1.00 17.51 C ATOM 51 SD MET A 986 4.583 -22.336 -2.945 1.00 28.26 S ATOM 52 CE MET A 986 3.768 -22.869 -1.426 1.00 20.24 C ATOM 53 H MET A 986 9.036 -21.857 -3.342 1.00 0.00 H ATOM 54 N LYS A 987 7.041 -18.683 -1.162 1.00 18.78 N ATOM 55 CA LYS A 987 7.327 -17.569 -0.287 1.00 15.81 C ATOM 56 C LYS A 987 6.996 -17.925 1.159 1.00 22.13 C ATOM 57 O LYS A 987 6.354 -18.935 1.457 1.00 14.94 O ATOM 58 CB LYS A 987 6.543 -16.347 -0.748 1.00 24.97 C ATOM 59 CG LYS A 987 6.972 -15.848 -2.126 1.00 37.14 C ATOM 60 CD LYS A 987 6.225 -14.591 -2.540 1.00 44.08 C ATOM 61 CE LYS A 987 4.770 -14.870 -2.854 1.00 48.33 C ATOM 62 NZ LYS A 987 4.100 -13.673 -3.456 1.00 60.84 N ATOM 63 HZ1 LYS A 987 4.147 -12.878 -2.787 1.00 0.00 H ATOM 64 HZ2 LYS A 987 4.584 -13.414 -4.339 1.00 0.00 H ATOM 65 HZ3 LYS A 987 3.105 -13.899 -3.658 1.00 0.00 H ATOM 66 H LYS A 987 6.104 -18.741 -1.610 1.00 0.00 H ATOM 67 N LYS A 988 7.477 -17.083 2.059 1.00 21.42 N ATOM 68 CA LYS A 988 7.313 -17.245 3.491 1.00 25.53 C ATOM 69 C LYS A 988 6.539 -16.041 4.014 1.00 23.44 C ATOM 70 O LYS A 988 6.788 -14.913 3.586 1.00 17.81 O ATOM 71 CB LYS A 988 8.699 -17.358 4.151 1.00 31.31 C ATOM 72 CG LYS A 988 8.727 -17.335 5.652 1.00 40.80 C ATOM 73 CD LYS A 988 7.869 -18.432 6.234 1.00 37.49 C ATOM 74 CE LYS A 988 8.304 -18.785 7.632 1.00 42.27 C ATOM 75 NZ LYS A 988 7.558 -19.945 8.119 1.00 23.16 N ATOM 76 HZ1 LYS A 988 6.542 -19.725 8.125 1.00 0.00 H ATOM 77 HZ2 LYS A 988 7.734 -20.757 7.493 1.00 0.00 H ATOM 78 HZ3 LYS A 988 7.869 -20.176 9.084 1.00 0.00 H ATOM 79 H LYS A 988 8.005 -16.254 1.719 1.00 0.00 H ATOM 80 N LYS A 989 5.591 -16.268 4.919 1.00 16.83 N ATOM 81 CA LYS A 989 4.881 -15.143 5.504 1.00 20.27 C ATOM 82 C LYS A 989 5.801 -14.430 6.486 1.00 16.49 C ATOM 83 O LYS A 989 6.647 -15.049 7.144 1.00 17.70 O ATOM 84 CB LYS A 989 3.597 -15.608 6.191 1.00 34.13 C ATOM 85 CG LYS A 989 2.370 -15.352 5.323 1.00 24.15 C ATOM 86 CD LYS A 989 1.099 -15.833 5.934 1.00 24.03 C ATOM 87 CE LYS A 989 -0.065 -15.687 4.945 1.00 31.41 C ATOM 88 NZ LYS A 989 -1.396 -15.951 5.567 1.00 35.88 N ATOM 89 HZ1 LYS A 989 -1.417 -16.922 5.939 1.00 0.00 H ATOM 90 HZ2 LYS A 989 -1.554 -15.277 6.343 1.00 0.00 H ATOM 91 HZ3 LYS A 989 -2.141 -15.837 4.850 1.00 0.00 H ATOM 92 H LYS A 989 5.360 -17.241 5.205 1.00 0.00 H ATOM 93 N GLY A 990 5.655 -13.137 6.563 1.00 12.55 N ATOM 94 CA GLY A 990 6.499 -12.376 7.448 1.00 11.97 C ATOM 95 C GLY A 990 6.037 -12.500 8.875 1.00 12.67 C ATOM 96 O GLY A 990 5.018 -13.122 9.179 1.00 12.81 O ATOM 97 H GLY A 990 4.933 -12.657 5.988 1.00 0.00 H ATOM 98 N SER A 991 6.806 -11.884 9.751 1.00 11.41 N ATOM 99 CA SER A 991 6.514 -11.863 11.173 1.00 9.42 C ATOM 100 C SER A 991 5.556 -10.726 11.493 1.00 8.48 C ATOM 101 O SER A 991 5.494 -9.716 10.787 1.00 9.29 O ATOM 102 CB SER A 991 7.802 -11.691 11.971 1.00 10.34 C ATOM 103 OG SER A 991 8.602 -12.861 11.945 1.00 13.11 O ATOM 104 HG SER A 991 8.094 -13.616 12.335 1.00 0.00 H ATOM 105 H SER A 991 7.657 -11.393 9.409 1.00 0.00 H ATOM 106 N VAL A 992 4.817 -10.898 12.594 1.00 6.61 N ATOM 107 CA VAL A 992 4.189 -9.768 13.261 1.00 8.14 C ATOM 108 C VAL A 992 5.282 -8.854 13.791 1.00 7.20 C ATOM 109 O VAL A 992 6.312 -9.321 14.295 1.00 8.57 O ATOM 110 CB VAL A 992 3.275 -10.253 14.399 1.00 5.96 C ATOM 111 CG1 VAL A 992 2.688 -9.096 15.167 1.00 10.77 C ATOM 112 CG2 VAL A 992 2.182 -11.110 13.857 1.00 5.60 C ATOM 113 H VAL A 992 4.689 -11.855 12.980 1.00 0.00 H ATOM 114 N VAL A 993 5.054 -7.545 13.688 1.00 7.21 N ATOM 115 CA VAL A 993 6.009 -6.523 14.097 1.00 5.55 C ATOM 116 C VAL A 993 5.331 -5.545 15.041 1.00 8.04 C ATOM 117 O VAL A 993 4.257 -5.024 14.727 1.00 7.20 O ATOM 118 CB VAL A 993 6.569 -5.762 12.883 1.00 8.74 C ATOM 119 CG1 VAL A 993 7.559 -4.697 13.332 1.00 8.59 C ATOM 120 CG2 VAL A 993 7.227 -6.741 11.911 1.00 10.56 C ATOM 121 H VAL A 993 4.143 -7.235 13.293 1.00 0.00 H ATOM 122 N ILE A 994 5.982 -5.258 16.170 1.00 5.70 N ATOM 123 CA ILE A 994 5.535 -4.182 17.055 1.00 5.62 C ATOM 124 C ILE A 994 5.880 -2.855 16.401 1.00 9.76 C ATOM 125 O ILE A 994 7.047 -2.592 16.097 1.00 12.48 O ATOM 126 CB ILE A 994 6.193 -4.302 18.438 1.00 9.67 C ATOM 127 CG1 ILE A 994 5.686 -5.555 19.148 1.00 8.52 C ATOM 128 CG2 ILE A 994 5.900 -3.075 19.275 1.00 9.38 C ATOM 129 CD1 ILE A 994 6.419 -5.889 20.410 1.00 11.67 C ATOM 130 H ILE A 994 6.825 -5.811 16.426 1.00 0.00 H ATOM 131 N VAL A 995 4.869 -2.014 16.176 1.00 5.90 N ATOM 132 CA VAL A 995 5.084 -0.720 15.543 1.00 9.48 C ATOM 133 C VAL A 995 4.764 0.447 16.459 1.00 12.42 C ATOM 134 O VAL A 995 4.952 1.596 16.062 1.00 9.51 O ATOM 135 CB VAL A 995 4.287 -0.590 14.231 1.00 10.16 C ATOM 136 CG1 VAL A 995 4.747 -1.630 13.243 1.00 12.06 C ATOM 137 CG2 VAL A 995 2.802 -0.695 14.486 1.00 10.43 C ATOM 138 H VAL A 995 3.907 -2.288 16.459 1.00 0.00 H ATOM 139 N GLY A 996 4.305 0.191 17.675 1.00 5.99 N ATOM 140 CA GLY A 996 4.035 1.265 18.599 1.00 7.30 C ATOM 141 C GLY A 996 3.398 0.695 19.840 1.00 7.81 C ATOM 142 O GLY A 996 3.435 -0.515 20.076 1.00 7.37 O ATOM 143 H GLY A 996 4.138 -0.793 17.966 1.00 0.00 H ATOM 144 N ARG A 997 2.838 1.580 20.647 1.00 6.99 N ATOM 145 CA ARG A 997 2.253 1.142 21.904 1.00 8.11 C ATOM 146 C ARG A 997 1.158 2.116 22.304 1.00 8.71 C ATOM 147 O ARG A 997 1.120 3.255 21.840 1.00 7.25 O ATOM 148 CB ARG A 997 3.309 1.059 23.002 1.00 12.00 C ATOM 149 CG ARG A 997 3.731 2.415 23.512 1.00 14.93 C ATOM 150 CD ARG A 997 4.761 2.304 24.631 1.00 14.67 C ATOM 151 NE ARG A 997 6.037 1.828 24.118 1.00 16.08 N ATOM 152 CZ ARG A 997 7.006 2.612 23.654 1.00 21.10 C ATOM 153 NH1 ARG A 997 6.869 3.939 23.626 1.00 19.79 N ATOM 154 NH2 ARG A 997 8.120 2.058 23.213 1.00 14.14 N ATOM 155 HE ARG A 997 6.203 0.801 24.114 1.00 0.00 H ATOM 156 HH12 ARG A 997 7.639 4.534 23.259 1.00 0.00 H ATOM 157 HH11 ARG A 997 5.992 4.379 23.971 1.00 0.00 H ATOM 158 HH22 ARG A 997 8.888 2.656 22.847 1.00 0.00 H ATOM 159 HH21 ARG A 997 8.229 1.024 23.232 1.00 0.00 H ATOM 160 H ARG A 997 2.816 2.586 20.384 1.00 0.00 H ATOM 161 N ILE A 998 0.284 1.663 23.197 1.00 7.84 N ATOM 162 CA ILE A 998 -0.667 2.554 23.849 1.00 9.06 C ATOM 163 C ILE A 998 -0.096 2.873 25.217 1.00 12.27 C ATOM 164 O ILE A 998 -0.031 1.999 26.086 1.00 11.84 O ATOM 165 CB ILE A 998 -2.069 1.949 23.964 1.00 9.37 C ATOM 166 CG1 ILE A 998 -2.562 1.440 22.608 1.00 12.86 C ATOM 167 CG2 ILE A 998 -3.043 3.015 24.557 1.00 8.63 C ATOM 168 CD1 ILE A 998 -2.637 2.501 21.539 1.00 12.33 C ATOM 169 H ILE A 998 0.279 0.651 23.436 1.00 0.00 H ATOM 170 N ASN A 999 0.307 4.129 25.408 1.00 9.90 N ATOM 171 CA ASN A 999 0.966 4.545 26.638 1.00 8.85 C ATOM 172 C ASN A 999 -0.077 4.804 27.714 1.00 11.09 C ATOM 173 O ASN A 999 -0.945 5.673 27.563 1.00 11.30 O ATOM 174 CB ASN A 999 1.837 5.787 26.407 1.00 10.96 C ATOM 175 CG ASN A 999 2.834 5.998 27.529 1.00 21.61 C ATOM 176 OD1 ASN A 999 2.455 6.023 28.694 1.00 18.82 O ATOM 177 ND2 ASN A 999 4.118 6.107 27.191 1.00 17.91 N ATOM 178 HD22 ASN A 999 4.396 6.081 26.189 1.00 0.00 H ATOM 179 HD21 ASN A 999 4.842 6.218 27.929 1.00 0.00 H ATOM 180 H ASN A 999 0.146 4.831 24.658 1.00 0.00 H ATOM 181 N LEU A1000 0.013 4.033 28.796 1.00 14.22 N ATOM 182 CA LEU A1000 -0.903 4.130 29.921 1.00 14.38 C ATOM 183 C LEU A1000 -0.168 4.410 31.227 1.00 17.61 C ATOM 184 O LEU A1000 -0.734 4.202 32.302 1.00 19.32 O ATOM 185 CB LEU A1000 -1.706 2.840 30.057 1.00 12.20 C ATOM 186 CG LEU A1000 -2.562 2.382 28.872 1.00 12.52 C ATOM 187 CD1 LEU A1000 -3.079 0.962 29.074 1.00 17.75 C ATOM 188 CD2 LEU A1000 -3.703 3.324 28.661 1.00 11.01 C ATOM 189 H LEU A1000 0.776 3.327 28.838 1.00 0.00 H ATOM 190 N SER A1001 1.080 4.878 31.158 1.00 17.03 N ATOM 191 CA SER A1001 1.892 4.979 32.359 1.00 30.61 C ATOM 192 C SER A1001 1.590 6.231 33.174 1.00 27.15 C ATOM 193 O SER A1001 1.893 6.259 34.373 1.00 28.21 O ATOM 194 CB SER A1001 3.376 4.934 31.980 1.00 25.37 C ATOM 195 OG SER A1001 3.725 5.989 31.095 1.00 28.74 O ATOM 196 HG SER A1001 3.189 5.914 30.266 1.00 0.00 H ATOM 197 H SER A1001 1.473 5.172 30.241 1.00 0.00 H ATOM 198 N GLY A1002 0.989 7.247 32.566 1.00 21.10 N ATOM 199 CA GLY A1002 0.768 8.518 33.229 1.00 23.74 C ATOM 200 C GLY A1002 -0.703 8.803 33.442 1.00 18.75 C ATOM 201 O GLY A1002 -1.499 7.878 33.629 1.00 26.74 O ATOM 202 H GLY A1002 0.667 7.128 31.584 1.00 0.00 H ATOM 203 N ASP A1003 -1.081 10.076 33.427 1.00 16.10 N ATOM 204 CA ASP A1003 -2.473 10.452 33.629 1.00 21.10 C ATOM 205 C ASP A1003 -3.252 10.554 32.330 1.00 23.38 C ATOM 206 O ASP A1003 -4.479 10.697 32.370 1.00 20.27 O ATOM 207 CB ASP A1003 -2.567 11.783 34.388 1.00 26.32 C ATOM 208 CG ASP A1003 -1.906 12.931 33.648 1.00 52.03 C ATOM 209 OD1 ASP A1003 -1.169 12.681 32.663 1.00 53.04 O ATOM 210 OD2 ASP A1003 -2.131 14.093 34.058 1.00 65.59 O ATOM 211 H ASP A1003 -0.370 10.818 33.268 1.00 0.00 H ATOM 212 N THR A1004 -2.574 10.442 31.186 1.00 16.93 N ATOM 213 CA THR A1004 -3.186 10.591 29.870 1.00 17.22 C ATOM 214 C THR A1004 -2.827 9.373 29.032 1.00 11.58 C ATOM 215 O THR A1004 -1.661 8.979 28.992 1.00 17.91 O ATOM 216 CB THR A1004 -2.698 11.875 29.180 1.00 25.86 C ATOM 217 OG1 THR A1004 -3.015 13.008 30.002 1.00 23.23 O ATOM 218 CG2 THR A1004 -3.352 12.051 27.808 1.00 20.68 C ATOM 219 HG1 THR A1004 -2.567 12.913 30.880 1.00 0.00 H ATOM 220 H THR A1004 -1.555 10.238 31.235 1.00 0.00 H ATOM 221 N ALA A1005 -3.824 8.742 28.420 1.00 10.67 N ATOM 222 CA ALA A1005 -3.569 7.613 27.533 1.00 11.52 C ATOM 223 C ALA A1005 -3.303 8.174 26.150 1.00 7.71 C ATOM 224 O ALA A1005 -4.032 9.064 25.696 1.00 11.18 O ATOM 225 CB ALA A1005 -4.749 6.640 27.489 1.00 11.66 C ATOM 226 H ALA A1005 -4.802 9.059 28.576 1.00 0.00 H ATOM 227 N TYR A1006 -2.257 7.678 25.488 1.00 10.26 N ATOM 228 CA TYR A1006 -1.978 8.140 24.135 1.00 8.89 C ATOM 229 C TYR A1006 -1.191 7.091 23.380 1.00 10.91 C ATOM 230 O TYR A1006 -0.356 6.386 23.949 1.00 9.57 O ATOM 231 CB TYR A1006 -1.217 9.467 24.106 1.00 9.25 C ATOM 232 CG TYR A1006 0.148 9.485 24.750 1.00 10.93 C ATOM 233 CD1 TYR A1006 0.296 9.494 26.125 1.00 13.65 C ATOM 234 CD2 TYR A1006 1.293 9.561 23.969 1.00 11.80 C ATOM 235 CE1 TYR A1006 1.565 9.543 26.710 1.00 17.30 C ATOM 236 CE2 TYR A1006 2.554 9.612 24.539 1.00 15.00 C ATOM 237 CZ TYR A1006 2.677 9.609 25.909 1.00 18.16 C ATOM 238 OH TYR A1006 3.929 9.659 26.459 1.00 21.72 O ATOM 239 HH TYR A1006 3.855 9.650 27.446 1.00 0.00 H ATOM 240 H TYR A1006 -1.645 6.966 25.935 1.00 0.00 H ATOM 241 N ALA A1007 -1.437 7.047 22.078 1.00 7.35 N ATOM 242 CA ALA A1007 -0.709 6.162 21.184 1.00 8.91 C ATOM 243 C ALA A1007 0.646 6.759 20.811 1.00 7.30 C ATOM 244 O ALA A1007 0.782 7.976 20.649 1.00 8.53 O ATOM 245 CB ALA A1007 -1.523 5.917 19.911 1.00 8.61 C ATOM 246 H ALA A1007 -2.174 7.665 21.684 1.00 0.00 H ATOM 247 N GLN A1008 1.641 5.880 20.692 1.00 5.79 N ATOM 248 CA GLN A1008 2.985 6.211 20.230 1.00 8.47 C ATOM 249 C GLN A1008 3.357 5.258 19.109 1.00 8.43 C ATOM 250 O GLN A1008 3.163 4.042 19.234 1.00 8.31 O ATOM 251 CB GLN A1008 4.021 6.083 21.355 1.00 7.13 C ATOM 252 CG GLN A1008 3.758 6.931 22.555 1.00 7.32 C ATOM 253 CD GLN A1008 4.713 6.625 23.693 1.00 15.69 C ATOM 254 OE1 GLN A1008 4.640 5.565 24.315 1.00 14.18 O ATOM 255 NE2 GLN A1008 5.623 7.548 23.961 1.00 13.80 N ATOM 256 HE22 GLN A1008 5.648 8.429 23.409 1.00 0.00 H ATOM 257 HE21 GLN A1008 6.313 7.392 24.723 1.00 0.00 H ATOM 258 H GLN A1008 1.446 4.890 20.946 1.00 0.00 H ATOM 259 N GLN A1009 3.889 5.800 18.023 1.00 6.24 N ATOM 260 CA GLN A1009 4.484 4.974 16.994 1.00 5.15 C ATOM 261 C GLN A1009 5.974 4.868 17.249 1.00 5.87 C ATOM 262 O GLN A1009 6.641 5.874 17.529 1.00 7.94 O ATOM 263 CB GLN A1009 4.228 5.526 15.596 1.00 6.86 C ATOM 264 CG GLN A1009 4.595 4.496 14.548 1.00 7.98 C ATOM 265 CD GLN A1009 4.313 4.960 13.149 1.00 9.35 C ATOM 266 OE1 GLN A1009 3.330 4.574 12.499 1.00 9.56 O ATOM 267 NE2 GLN A1009 5.193 5.779 12.664 1.00 6.50 N ATOM 268 HE22 GLN A1009 6.002 6.076 13.245 1.00 0.00 H ATOM 269 HE21 GLN A1009 5.090 6.139 11.694 1.00 0.00 H ATOM 270 H GLN A1009 3.879 6.834 17.908 1.00 0.00 H ATOM 271 N THR A1010 6.494 3.646 17.163 1.00 9.09 N ATOM 272 CA THR A1010 7.923 3.406 17.317 1.00 5.73 C ATOM 273 C THR A1010 8.597 2.910 16.040 1.00 8.73 C ATOM 274 O THR A1010 9.830 2.866 15.997 1.00 13.97 O ATOM 275 CB THR A1010 8.188 2.398 18.448 1.00 9.57 C ATOM 276 OG1 THR A1010 7.520 1.167 18.163 1.00 9.04 O ATOM 277 CG2 THR A1010 7.689 2.934 19.771 1.00 12.40 C ATOM 278 HG1 THR A1010 7.694 0.522 18.894 1.00 0.00 H ATOM 279 H THR A1010 5.863 2.840 16.981 1.00 0.00 H ATOM 280 N ARG A1011 7.835 2.556 15.009 1.00 9.61 N ATOM 281 CA ARG A1011 8.391 2.154 13.725 1.00 11.32 C ATOM 282 C ARG A1011 7.414 2.494 12.603 1.00 7.41 C ATOM 283 O ARG A1011 6.215 2.213 12.707 1.00 11.74 O ATOM 284 CB ARG A1011 8.714 0.655 13.709 1.00 14.73 C ATOM 285 CG ARG A1011 9.539 0.246 12.517 1.00 23.99 C ATOM 286 CD ARG A1011 9.794 -1.239 12.501 1.00 25.68 C ATOM 287 NE ARG A1011 10.765 -1.712 13.484 1.00 17.98 N ATOM 288 CZ ARG A1011 12.089 -1.637 13.360 1.00 25.29 C ATOM 289 NH1 ARG A1011 12.653 -1.048 12.311 1.00 19.63 N ATOM 290 NH2 ARG A1011 12.859 -2.163 14.300 1.00 20.82 N ATOM 291 HE ARG A1011 10.391 -2.143 14.353 1.00 0.00 H ATOM 292 HH12 ARG A1011 13.689 -1.001 12.236 1.00 0.00 H ATOM 293 HH11 ARG A1011 12.058 -0.634 11.565 1.00 0.00 H ATOM 294 HH22 ARG A1011 13.894 -2.110 14.214 1.00 0.00 H ATOM 295 HH21 ARG A1011 12.429 -2.629 15.124 1.00 0.00 H ATOM 296 H ARG A1011 6.802 2.567 15.125 1.00 0.00 H ATOM 297 N GLY A1012 7.943 3.092 11.524 1.00 10.79 N ATOM 298 CA GLY A1012 7.152 3.454 10.363 1.00 10.99 C ATOM 299 C GLY A1012 6.947 2.296 9.373 1.00 22.58 C ATOM 300 O GLY A1012 7.477 1.193 9.527 1.00 20.45 O ATOM 301 H GLY A1012 8.961 3.304 11.520 1.00 0.00 H ATOM 302 N GLU A1013 6.161 2.582 8.320 1.00 23.46 N ATOM 303 CA GLU A1013 5.634 1.527 7.445 1.00 20.28 C ATOM 304 C GLU A1013 6.742 0.790 6.699 1.00 25.80 C ATOM 305 O GLU A1013 6.688 -0.441 6.568 1.00 20.26 O ATOM 306 CB GLU A1013 4.628 2.109 6.443 1.00 22.01 C ATOM 307 H GLU A1013 5.921 3.574 8.121 1.00 0.00 H ATOM 308 N GLU A1014 7.735 1.522 6.174 1.00 23.58 N ATOM 309 CA GLU A1014 8.832 0.888 5.447 1.00 28.20 C ATOM 310 C GLU A1014 9.667 0.018 6.377 1.00 30.46 C ATOM 311 O GLU A1014 9.994 -1.131 6.049 1.00 24.67 O ATOM 312 CB GLU A1014 9.709 1.950 4.779 1.00 36.05 C ATOM 313 H GLU A1014 7.724 2.556 6.286 1.00 0.00 H ATOM 314 N GLY A1015 10.031 0.557 7.542 1.00 24.24 N ATOM 315 CA GLY A1015 10.781 -0.224 8.511 1.00 21.44 C ATOM 316 C GLY A1015 9.989 -1.405 9.041 1.00 18.30 C ATOM 317 O GLY A1015 10.556 -2.460 9.337 1.00 18.11 O ATOM 318 H GLY A1015 9.776 1.542 7.758 1.00 0.00 H ATOM 319 N CYS A1016 8.671 -1.258 9.150 1.00 15.05 N ATOM 320 CA CYS A1016 7.836 -2.397 9.505 1.00 13.01 C ATOM 321 C CYS A1016 7.922 -3.489 8.446 1.00 16.04 C ATOM 322 O CYS A1016 8.118 -4.666 8.768 1.00 14.33 O ATOM 323 CB CYS A1016 6.397 -1.948 9.689 1.00 18.56 C ATOM 324 SG CYS A1016 5.251 -3.293 10.032 1.00 16.95 S ATOM 325 H CYS A1016 8.237 -0.328 8.981 1.00 0.00 H ATOM 326 N GLN A1017 7.767 -3.116 7.171 1.00 21.56 N ATOM 327 CA GLN A1017 7.832 -4.099 6.091 1.00 18.59 C ATOM 328 C GLN A1017 9.149 -4.871 6.118 1.00 22.34 C ATOM 329 O GLN A1017 9.164 -6.101 5.972 1.00 18.85 O ATOM 330 CB GLN A1017 7.635 -3.399 4.741 1.00 16.62 C ATOM 331 H GLN A1017 7.598 -2.115 6.945 1.00 0.00 H ATOM 332 N GLU A1018 10.264 -4.169 6.308 1.00 17.45 N ATOM 333 CA GLU A1018 11.574 -4.820 6.347 1.00 20.28 C ATOM 334 C GLU A1018 11.718 -5.743 7.553 1.00 22.32 C ATOM 335 O GLU A1018 12.301 -6.832 7.451 1.00 21.30 O ATOM 336 CB GLU A1018 12.668 -3.752 6.371 1.00 27.98 C ATOM 337 CG GLU A1018 14.086 -4.272 6.541 1.00 37.99 C ATOM 338 CD GLU A1018 14.553 -5.096 5.354 1.00 63.06 C ATOM 339 OE1 GLU A1018 15.633 -5.722 5.449 1.00 51.30 O ATOM 340 OE2 GLU A1018 13.839 -5.112 4.326 1.00 67.34 O ATOM 341 H GLU A1018 10.203 -3.138 6.431 1.00 0.00 H ATOM 342 N THR A1019 11.247 -5.298 8.715 1.00 17.53 N ATOM 343 CA THR A1019 11.362 -6.085 9.937 1.00 17.03 C ATOM 344 C THR A1019 10.500 -7.341 9.869 1.00 12.19 C ATOM 345 O THR A1019 10.851 -8.379 10.448 1.00 13.72 O ATOM 346 CB THR A1019 10.961 -5.203 11.125 1.00 17.56 C ATOM 347 OG1 THR A1019 11.775 -4.020 11.137 1.00 20.73 O ATOM 348 CG2 THR A1019 11.117 -5.931 12.442 1.00 14.68 C ATOM 349 HG1 THR A1019 11.641 -3.520 10.293 1.00 0.00 H ATOM 350 H THR A1019 10.786 -4.367 8.753 1.00 0.00 H ATOM 351 N SER A1020 9.370 -7.263 9.174 1.00 12.75 N ATOM 352 CA SER A1020 8.509 -8.426 9.041 1.00 13.19 C ATOM 353 C SER A1020 9.195 -9.504 8.219 1.00 18.61 C ATOM 354 O SER A1020 9.093 -10.692 8.535 1.00 11.98 O ATOM 355 CB SER A1020 7.188 -8.021 8.399 1.00 16.27 C ATOM 356 OG SER A1020 6.303 -9.126 8.311 1.00 22.61 O ATOM 357 HG SER A1020 6.120 -9.474 9.220 1.00 0.00 H ATOM 358 H SER A1020 9.101 -6.365 8.723 1.00 0.00 H ATOM 359 N GLN A1021 9.942 -9.095 7.187 1.00 17.38 N ATOM 360 CA GLN A1021 10.628 -10.056 6.330 1.00 22.52 C ATOM 361 C GLN A1021 11.792 -10.715 7.062 1.00 15.54 C ATOM 362 O GLN A1021 11.979 -11.934 6.976 1.00 22.44 O ATOM 363 CB GLN A1021 11.109 -9.357 5.055 1.00 16.25 C ATOM 364 H GLN A1021 10.035 -8.077 6.993 1.00 0.00 H ATOM 365 N THR A1022 12.583 -9.933 7.789 1.00 16.56 N ATOM 366 CA THR A1022 13.739 -10.487 8.486 1.00 9.98 C ATOM 367 C THR A1022 13.368 -11.152 9.804 1.00 20.14 C ATOM 368 O THR A1022 14.059 -12.078 10.240 1.00 17.15 O ATOM 369 CB THR A1022 14.782 -9.405 8.777 1.00 25.30 C ATOM 370 OG1 THR A1022 14.300 -8.541 9.816 1.00 16.99 O ATOM 371 CG2 THR A1022 15.111 -8.586 7.520 1.00 30.27 C ATOM 372 HG1 THR A1022 14.976 -7.842 10.003 1.00 0.00 H ATOM 373 H THR A1022 12.376 -8.916 7.862 1.00 0.00 H ATOM 374 N GLY A1023 12.321 -10.680 10.471 1.00 15.77 N ATOM 375 CA GLY A1023 12.029 -11.150 11.806 1.00 11.48 C ATOM 376 C GLY A1023 12.947 -10.625 12.878 1.00 14.17 C ATOM 377 O GLY A1023 12.879 -11.099 14.012 1.00 12.71 O ATOM 378 H GLY A1023 11.707 -9.967 10.029 1.00 0.00 H ATOM 379 N ARG A1024 13.788 -9.644 12.564 1.00 12.87 N ATOM 380 CA ARG A1024 14.786 -9.127 13.489 1.00 10.97 C ATOM 381 C ARG A1024 14.390 -7.708 13.858 1.00 13.94 C ATOM 382 O ARG A1024 14.399 -6.814 13.006 1.00 15.00 O ATOM 383 CB ARG A1024 16.183 -9.165 12.865 1.00 17.20 C ATOM 384 H ARG A1024 13.730 -9.227 11.613 1.00 0.00 H ATOM 385 N ASP A1025 14.008 -7.516 15.117 1.00 13.73 N ATOM 386 CA ASP A1025 13.521 -6.232 15.605 1.00 14.67 C ATOM 387 C ASP A1025 14.345 -5.841 16.822 1.00 15.44 C ATOM 388 O ASP A1025 14.178 -6.414 17.903 1.00 15.79 O ATOM 389 CB ASP A1025 12.031 -6.307 15.951 1.00 14.17 C ATOM 390 CG ASP A1025 11.478 -4.979 16.427 1.00 19.07 C ATOM 391 OD1 ASP A1025 12.226 -3.975 16.396 1.00 14.59 O ATOM 392 OD2 ASP A1025 10.301 -4.938 16.835 1.00 18.68 O ATOM 393 H ASP A1025 14.059 -8.315 15.781 1.00 0.00 H ATOM 394 N LYS A1026 15.226 -4.861 16.652 1.00 17.22 N ATOM 395 CA LYS A1026 16.066 -4.390 17.741 1.00 18.63 C ATOM 396 C LYS A1026 15.467 -3.218 18.512 1.00 16.96 C ATOM 397 O LYS A1026 16.134 -2.686 19.403 1.00 16.84 O ATOM 398 CB LYS A1026 17.439 -3.978 17.195 1.00 20.01 C ATOM 399 CG LYS A1026 18.203 -5.105 16.492 1.00 32.96 C ATOM 400 CD LYS A1026 18.979 -5.953 17.480 1.00 42.49 C ATOM 401 CE LYS A1026 19.912 -6.949 16.782 1.00 55.51 C ATOM 402 NZ LYS A1026 20.740 -6.343 15.689 1.00 62.49 N ATOM 403 HZ1 LYS A1026 20.113 -5.945 14.961 1.00 0.00 H ATOM 404 HZ2 LYS A1026 21.336 -5.588 16.085 1.00 0.00 H ATOM 405 HZ3 LYS A1026 21.344 -7.077 15.266 1.00 0.00 H ATOM 406 H LYS A1026 15.317 -4.419 15.715 1.00 0.00 H ATOM 407 N ASN A1027 14.250 -2.785 18.194 1.00 11.69 N ATOM 408 CA ASN A1027 13.707 -1.613 18.870 1.00 11.95 C ATOM 409 C ASN A1027 13.362 -1.920 20.317 1.00 16.33 C ATOM 410 O ASN A1027 12.956 -3.029 20.662 1.00 18.15 O ATOM 411 CB ASN A1027 12.472 -1.090 18.142 1.00 16.05 C ATOM 412 CG ASN A1027 12.827 -0.158 17.005 1.00 29.54 C ATOM 413 OD1 ASN A1027 14.005 0.019 16.674 1.00 23.02 O ATOM 414 ND2 ASN A1027 11.811 0.429 16.385 1.00 28.70 N ATOM 415 HD22 ASN A1027 10.836 0.249 16.699 1.00 0.00 H ATOM 416 HD21 ASN A1027 11.990 1.069 15.585 1.00 0.00 H ATOM 417 H ASN A1027 13.691 -3.278 17.469 1.00 0.00 H ATOM 418 N GLN A1028 13.532 -0.910 21.169 1.00 11.54 N ATOM 419 CA GLN A1028 13.163 -1.036 22.567 1.00 14.90 C ATOM 420 C GLN A1028 11.650 -1.132 22.676 1.00 18.02 C ATOM 421 O GLN A1028 10.918 -0.374 22.025 1.00 14.33 O ATOM 422 CB GLN A1028 13.672 0.160 23.375 1.00 19.20 C ATOM 423 H GLN A1028 13.936 -0.015 20.826 1.00 0.00 H ATOM 424 N VAL A1029 11.190 -2.085 23.481 1.00 15.33 N ATOM 425 CA VAL A1029 9.773 -2.290 23.754 1.00 14.87 C ATOM 426 C VAL A1029 9.488 -1.795 25.160 1.00 10.54 C ATOM 427 O VAL A1029 10.293 -1.986 26.078 1.00 11.49 O ATOM 428 CB VAL A1029 9.377 -3.772 23.607 1.00 12.33 C ATOM 429 CG1 VAL A1029 7.928 -4.011 24.049 1.00 12.59 C ATOM 430 CG2 VAL A1029 9.570 -4.196 22.178 1.00 14.01 C ATOM 431 H VAL A1029 11.877 -2.717 23.940 1.00 0.00 H ATOM 432 N GLU A1030 8.348 -1.149 25.325 1.00 12.57 N ATOM 433 CA GLU A1030 7.907 -0.708 26.635 1.00 9.58 C ATOM 434 C GLU A1030 6.407 -0.886 26.735 1.00 9.68 C ATOM 435 O GLU A1030 5.700 -0.853 25.724 1.00 10.29 O ATOM 436 CB GLU A1030 8.253 0.761 26.890 1.00 13.58 C ATOM 437 CG GLU A1030 9.685 1.115 26.597 1.00 16.14 C ATOM 438 CD GLU A1030 10.036 2.549 26.981 1.00 20.42 C ATOM 439 OE1 GLU A1030 9.239 3.198 27.682 1.00 28.76 O ATOM 440 OE2 GLU A1030 11.119 3.016 26.581 1.00 33.02 O ATOM 441 H GLU A1030 7.752 -0.952 24.496 1.00 0.00 H ATOM 442 N GLY A1031 5.932 -1.093 27.959 1.00 8.81 N ATOM 443 CA GLY A1031 4.508 -1.016 28.240 1.00 12.58 C ATOM 444 C GLY A1031 3.778 -2.333 28.068 1.00 8.24 C ATOM 445 O GLY A1031 4.344 -3.379 27.718 1.00 8.16 O ATOM 446 H GLY A1031 6.593 -1.315 28.731 1.00 0.00 H ATOM 447 N GLU A1032 2.469 -2.258 28.311 1.00 8.48 N ATOM 448 CA GLU A1032 1.593 -3.430 28.351 1.00 6.45 C ATOM 449 C GLU A1032 0.857 -3.685 27.048 1.00 5.87 C ATOM 450 O GLU A1032 0.591 -4.846 26.709 1.00 7.64 O ATOM 451 CB GLU A1032 0.530 -3.268 29.443 1.00 11.09 C ATOM 452 CG GLU A1032 1.071 -3.103 30.848 1.00 12.57 C ATOM 453 CD GLU A1032 1.360 -1.667 31.228 1.00 27.76 C ATOM 454 OE1 GLU A1032 1.145 -0.752 30.400 1.00 18.04 O ATOM 455 OE2 GLU A1032 1.809 -1.462 32.373 1.00 40.00 O ATOM 456 H GLU A1032 2.050 -1.321 28.480 1.00 0.00 H ATOM 457 N VAL A1033 0.489 -2.628 26.336 1.00 5.98 N ATOM 458 CA VAL A1033 -0.323 -2.733 25.133 1.00 6.11 C ATOM 459 C VAL A1033 0.512 -2.275 23.958 1.00 6.24 C ATOM 460 O VAL A1033 0.919 -1.108 23.902 1.00 7.84 O ATOM 461 CB VAL A1033 -1.601 -1.889 25.231 1.00 8.21 C ATOM 462 CG1 VAL A1033 -2.420 -2.089 23.965 1.00 7.43 C ATOM 463 CG2 VAL A1033 -2.397 -2.254 26.474 1.00 7.21 C ATOM 464 H VAL A1033 0.794 -1.685 26.651 1.00 0.00 H ATOM 465 N GLN A1034 0.753 -3.184 23.021 1.00 5.99 N ATOM 466 CA GLN A1034 1.515 -2.910 21.820 1.00 7.39 C ATOM 467 C GLN A1034 0.582 -2.762 20.628 1.00 6.39 C ATOM 468 O GLN A1034 -0.458 -3.410 20.543 1.00 6.22 O ATOM 469 CB GLN A1034 2.513 -4.029 21.516 1.00 6.17 C ATOM 470 CG GLN A1034 3.385 -4.427 22.668 1.00 7.64 C ATOM 471 CD GLN A1034 4.198 -3.263 23.184 1.00 9.77 C ATOM 472 OE1 GLN A1034 4.775 -2.474 22.396 1.00 8.72 O ATOM 473 NE2 GLN A1034 4.225 -3.112 24.502 1.00 9.43 N ATOM 474 HE22 GLN A1034 3.731 -3.793 25.114 1.00 0.00 H ATOM 475 HE21 GLN A1034 4.740 -2.313 24.923 1.00 0.00 H ATOM 476 H GLN A1034 0.375 -4.143 23.156 1.00 0.00 H ATOM 477 N ILE A1035 0.961 -1.885 19.724 1.00 5.05 N ATOM 478 CA ILE A1035 0.381 -1.830 18.398 1.00 3.76 C ATOM 479 C ILE A1035 1.230 -2.702 17.488 1.00 4.74 C ATOM 480 O ILE A1035 2.447 -2.513 17.411 1.00 6.58 O ATOM 481 CB ILE A1035 0.341 -0.390 17.876 1.00 4.01 C ATOM 482 CG1 ILE A1035 -0.397 0.512 18.865 1.00 6.81 C ATOM 483 CG2 ILE A1035 -0.349 -0.375 16.538 1.00 8.44 C ATOM 484 CD1 ILE A1035 -0.252 1.990 18.518 1.00 8.58 C ATOM 485 H ILE A1035 1.707 -1.204 19.971 1.00 0.00 H ATOM 486 N VAL A1036 0.597 -3.645 16.781 1.00 6.26 N ATOM 487 CA VAL A1036 1.334 -4.599 15.968 1.00 5.94 C ATOM 488 C VAL A1036 0.789 -4.590 14.545 1.00 3.95 C ATOM 489 O VAL A1036 -0.358 -4.206 14.286 1.00 7.91 O ATOM 490 CB VAL A1036 1.283 -6.023 16.566 1.00 5.61 C ATOM 491 CG1 VAL A1036 1.919 -6.038 17.943 1.00 7.43 C ATOM 492 CG2 VAL A1036 -0.138 -6.517 16.649 1.00 7.76 C ATOM 493 H VAL A1036 -0.441 -3.697 16.813 1.00 0.00 H ATOM 494 N SER A1037 1.630 -5.039 13.622 1.00 5.61 N ATOM 495 CA SER A1037 1.274 -5.039 12.216 1.00 5.05 C ATOM 496 C SER A1037 1.864 -6.249 11.515 1.00 8.32 C ATOM 497 O SER A1037 2.938 -6.747 11.871 1.00 8.25 O ATOM 498 CB SER A1037 1.764 -3.777 11.506 1.00 10.33 C ATOM 499 OG SER A1037 1.162 -2.617 12.067 1.00 12.75 O ATOM 500 HG SER A1037 1.493 -1.813 11.593 1.00 0.00 H ATOM 501 H SER A1037 2.562 -5.398 13.912 1.00 0.00 H ATOM 502 N THR A1038 1.158 -6.678 10.487 1.00 7.78 N ATOM 503 CA THR A1038 1.700 -7.538 9.453 1.00 12.82 C ATOM 504 C THR A1038 1.778 -6.722 8.170 1.00 11.50 C ATOM 505 O THR A1038 1.594 -5.500 8.167 1.00 8.92 O ATOM 506 CB THR A1038 0.822 -8.769 9.265 1.00 9.74 C ATOM 507 OG1 THR A1038 -0.422 -8.350 8.695 1.00 10.04 O ATOM 508 CG2 THR A1038 0.551 -9.500 10.579 1.00 10.98 C ATOM 509 HG1 THR A1038 -1.007 -9.138 8.565 1.00 0.00 H ATOM 510 H THR A1038 0.163 -6.385 10.414 1.00 0.00 H ATOM 511 N ALA A1039 2.021 -7.402 7.055 1.00 13.77 N ATOM 512 CA ALA A1039 2.038 -6.697 5.780 1.00 20.78 C ATOM 513 C ALA A1039 0.669 -6.122 5.433 1.00 18.02 C ATOM 514 O ALA A1039 0.578 -5.109 4.728 1.00 18.04 O ATOM 515 CB ALA A1039 2.505 -7.642 4.671 1.00 27.54 C ATOM 516 H ALA A1039 2.197 -8.426 7.092 1.00 0.00 H ATOM 517 N THR A1040 -0.400 -6.737 5.934 1.00 12.65 N ATOM 518 CA THR A1040 -1.745 -6.462 5.458 1.00 10.86 C ATOM 519 C THR A1040 -2.709 -5.978 6.534 1.00 12.59 C ATOM 520 O THR A1040 -3.778 -5.469 6.184 1.00 13.42 O ATOM 521 CB THR A1040 -2.324 -7.723 4.811 1.00 13.88 C ATOM 522 OG1 THR A1040 -2.158 -8.827 5.708 1.00 17.52 O ATOM 523 CG2 THR A1040 -1.593 -8.019 3.507 1.00 19.75 C ATOM 524 HG1 THR A1040 -2.531 -9.646 5.295 1.00 0.00 H ATOM 525 H THR A1040 -0.268 -7.438 6.691 1.00 0.00 H ATOM 526 N GLN A1041 -2.356 -6.082 7.814 1.00 7.02 N ATOM 527 CA GLN A1041 -3.277 -5.781 8.903 1.00 7.13 C ATOM 528 C GLN A1041 -2.536 -5.086 10.044 1.00 10.32 C ATOM 529 O GLN A1041 -1.324 -5.248 10.217 1.00 8.03 O ATOM 530 CB GLN A1041 -3.953 -7.075 9.424 1.00 8.64 C ATOM 531 CG GLN A1041 -4.848 -7.780 8.393 1.00 11.55 C ATOM 532 CD GLN A1041 -5.706 -8.902 8.984 1.00 25.37 C ATOM 533 OE1 GLN A1041 -6.940 -8.835 8.971 1.00 29.23 O ATOM 534 NE2 GLN A1041 -5.056 -9.945 9.480 1.00 32.22 N ATOM 535 HE22 GLN A1041 -4.016 -9.962 9.472 1.00 0.00 H ATOM 536 HE21 GLN A1041 -5.586 -10.747 9.878 1.00 0.00 H ATOM 537 H GLN A1041 -1.389 -6.389 8.045 1.00 0.00 H ATOM 538 N THR A1042 -3.271 -4.303 10.823 1.00 6.30 N ATOM 539 HN3 THR A1042 -2.904 -3.331 10.781 1.00 0.00 H ATOM 540 HN2 THR A1042 -3.226 -4.650 11.802 1.00 0.00 H ATOM 541 HN1 THR A1042 -4.258 -4.317 10.494 1.00 0.00 H TER 542 THR A1042 ATOM 543 N PHE A1043 -3.302 -4.196 14.348 1.00 6.36 N ATOM 544 CA PHE A1043 -4.172 -4.495 15.472 1.00 5.17 C ATOM 545 C PHE A1043 -3.342 -4.302 16.744 1.00 6.56 C ATOM 546 O PHE A1043 -2.303 -3.631 16.714 1.00 8.87 O ATOM 547 CB PHE A1043 -4.800 -5.892 15.301 1.00 6.93 C ATOM 548 CG PHE A1043 -3.826 -6.973 14.895 1.00 5.02 C ATOM 549 CD1 PHE A1043 -3.381 -7.088 13.580 1.00 8.15 C ATOM 550 CD2 PHE A1043 -3.368 -7.898 15.836 1.00 3.93 C ATOM 551 CE1 PHE A1043 -2.492 -8.085 13.220 1.00 8.89 C ATOM 552 CE2 PHE A1043 -2.473 -8.879 15.488 1.00 6.91 C ATOM 553 CZ PHE A1043 -2.035 -8.983 14.177 1.00 6.05 C ATOM 554 H PHE A1043 -2.272 -4.222 14.492 1.00 0.00 H ATOM 555 N LEU A1044 -3.800 -4.854 17.863 1.00 5.17 N ATOM 556 CA LEU A1044 -3.121 -4.672 19.136 1.00 3.03 C ATOM 557 C LEU A1044 -2.666 -6.012 19.702 1.00 5.32 C ATOM 558 O LEU A1044 -3.144 -7.077 19.300 1.00 6.04 O ATOM 559 CB LEU A1044 -4.019 -3.984 20.159 1.00 5.53 C ATOM 560 CG LEU A1044 -4.526 -2.588 19.808 1.00 5.37 C ATOM 561 CD1 LEU A1044 -5.500 -2.072 20.861 1.00 7.32 C ATOM 562 CD2 LEU A1044 -3.345 -1.627 19.633 1.00 5.80 C ATOM 563 H LEU A1044 -4.665 -5.430 17.827 1.00 0.00 H ATOM 564 N ALA A1045 -1.777 -5.932 20.694 1.00 4.47 N ATOM 565 CA ALA A1045 -1.381 -7.090 21.477 1.00 6.77 C ATOM 566 C ALA A1045 -1.105 -6.645 22.914 1.00 8.93 C ATOM 567 O ALA A1045 -0.615 -5.534 23.157 1.00 7.52 O ATOM 568 CB ALA A1045 -0.162 -7.781 20.852 1.00 7.45 C ATOM 569 H ALA A1045 -1.353 -5.008 20.914 1.00 0.00 H ATOM 570 N THR A1046 -1.425 -7.519 23.871 1.00 6.21 N ATOM 571 CA THR A1046 -1.485 -7.167 25.293 1.00 6.43 C ATOM 572 C THR A1046 -0.714 -8.185 26.125 1.00 7.55 C ATOM 573 O THR A1046 -0.925 -9.397 25.988 1.00 5.48 O ATOM 574 CB THR A1046 -2.935 -7.126 25.793 1.00 7.38 C ATOM 575 OG1 THR A1046 -3.685 -6.169 25.040 1.00 6.53 O ATOM 576 CG2 THR A1046 -3.011 -6.775 27.281 1.00 7.25 C ATOM 577 HG1 THR A1046 -3.677 -6.424 24.083 1.00 0.00 H ATOM 578 H THR A1046 -1.642 -8.498 23.594 1.00 0.00 H ATOM 579 N SER A1047 0.168 -7.703 26.997 1.00 5.28 N ATOM 580 CA SER A1047 0.966 -8.593 27.833 1.00 7.60 C ATOM 581 C SER A1047 0.230 -8.871 29.140 1.00 6.38 C ATOM 582 O SER A1047 -0.179 -7.944 29.842 1.00 8.14 O ATOM 583 CB SER A1047 2.351 -8.000 28.100 1.00 9.03 C ATOM 584 OG SER A1047 3.189 -8.132 26.958 1.00 9.64 O ATOM 585 HG SER A1047 2.780 -7.655 26.193 1.00 0.00 H ATOM 586 H SER A1047 0.291 -6.674 27.084 1.00 0.00 H ATOM 587 N ILE A1048 0.035 -10.158 29.440 1.00 5.92 N ATOM 588 CA ILE A1048 -0.576 -10.620 30.680 1.00 6.26 C ATOM 589 C ILE A1048 0.192 -11.866 31.101 1.00 7.95 C ATOM 590 O ILE A1048 0.367 -12.785 30.293 1.00 7.54 O ATOM 591 CB ILE A1048 -2.071 -10.972 30.506 1.00 6.22 C ATOM 592 CG1 ILE A1048 -2.860 -9.842 29.832 1.00 7.48 C ATOM 593 CG2 ILE A1048 -2.657 -11.400 31.862 1.00 7.97 C ATOM 594 CD1 ILE A1048 -4.230 -10.258 29.289 1.00 7.64 C ATOM 595 H ILE A1048 0.337 -10.873 28.748 1.00 0.00 H ATOM 596 N ASN A1049 0.645 -11.912 32.354 1.00 8.55 N ATOM 597 CA ASN A1049 1.355 -13.090 32.856 1.00 9.46 C ATOM 598 C ASN A1049 2.594 -13.411 32.023 1.00 10.56 C ATOM 599 O ASN A1049 2.927 -14.575 31.861 1.00 12.40 O ATOM 600 CB ASN A1049 0.446 -14.324 32.875 1.00 12.26 C ATOM 601 CG ASN A1049 -0.636 -14.254 33.928 1.00 19.68 C ATOM 602 OD1 ASN A1049 -0.511 -13.548 34.932 1.00 20.46 O ATOM 603 ND2 ASN A1049 -1.712 -15.003 33.702 1.00 24.56 N ATOM 604 HD22 ASN A1049 -1.771 -15.582 32.840 1.00 0.00 H ATOM 605 HD21 ASN A1049 -2.494 -15.010 34.387 1.00 0.00 H ATOM 606 H ASN A1049 0.492 -11.099 32.984 1.00 0.00 H ATOM 607 N GLY A1050 3.293 -12.403 31.486 1.00 9.52 N ATOM 608 CA GLY A1050 4.535 -12.659 30.772 1.00 9.70 C ATOM 609 C GLY A1050 4.368 -13.204 29.368 1.00 7.55 C ATOM 610 O GLY A1050 5.343 -13.691 28.784 1.00 6.53 O ATOM 611 H GLY A1050 2.945 -11.428 31.580 1.00 0.00 H ATOM 612 N VAL A1051 3.161 -13.146 28.823 1.00 7.75 N ATOM 613 CA VAL A1051 2.842 -13.577 27.466 1.00 8.13 C ATOM 614 C VAL A1051 2.239 -12.386 26.736 1.00 7.13 C ATOM 615 O VAL A1051 1.395 -11.680 27.298 1.00 5.25 O ATOM 616 CB VAL A1051 1.845 -14.755 27.488 1.00 6.32 C ATOM 617 CG1 VAL A1051 1.493 -15.194 26.092 1.00 3.99 C ATOM 618 CG2 VAL A1051 2.428 -15.929 28.303 1.00 10.23 C ATOM 619 H VAL A1051 2.386 -12.766 29.404 1.00 0.00 H ATOM 620 N LEU A1052 2.687 -12.147 25.502 1.00 3.97 N ATOM 621 CA LEU A1052 2.076 -11.136 24.648 1.00 6.52 C ATOM 622 C LEU A1052 0.979 -11.821 23.837 1.00 7.03 C ATOM 623 O LEU A1052 1.260 -12.670 22.978 1.00 7.13 O ATOM 624 CB LEU A1052 3.120 -10.474 23.755 1.00 5.35 C ATOM 625 CG LEU A1052 2.583 -9.322 22.903 1.00 5.39 C ATOM 626 CD1 LEU A1052 2.184 -8.116 23.764 1.00 8.83 C ATOM 627 CD2 LEU A1052 3.629 -8.949 21.834 1.00 7.29 C ATOM 628 H LEU A1052 3.493 -12.696 25.140 1.00 0.00 H ATOM 629 N TRP A1053 -0.268 -11.464 24.129 1.00 4.30 N ATOM 630 CA TRP A1053 -1.447 -12.099 23.560 1.00 4.78 C ATOM 631 C TRP A1053 -2.051 -11.250 22.452 1.00 5.20 C ATOM 632 O TRP A1053 -2.073 -10.022 22.539 1.00 6.21 O ATOM 633 CB TRP A1053 -2.528 -12.292 24.624 1.00 7.91 C ATOM 634 CG TRP A1053 -2.129 -13.083 25.817 1.00 5.46 C ATOM 635 CD1 TRP A1053 -1.709 -12.591 27.016 1.00 6.62 C ATOM 636 CD2 TRP A1053 -2.154 -14.522 25.951 1.00 4.16 C ATOM 637 NE1 TRP A1053 -1.459 -13.635 27.890 1.00 6.66 N ATOM 638 CE2 TRP A1053 -1.736 -14.824 27.263 1.00 5.73 C ATOM 639 CE3 TRP A1053 -2.475 -15.579 25.086 1.00 4.41 C ATOM 640 CZ2 TRP A1053 -1.624 -16.144 27.730 1.00 9.13 C ATOM 641 CZ3 TRP A1053 -2.364 -16.892 25.556 1.00 7.43 C ATOM 642 CH2 TRP A1053 -1.951 -17.159 26.866 1.00 8.22 C ATOM 643 HE1 TRP A1053 -1.116 -13.534 28.867 1.00 0.00 H ATOM 644 H TRP A1053 -0.409 -10.685 24.804 1.00 0.00 H ATOM 645 N THR A1054 -2.601 -11.913 21.439 1.00 4.56 N ATOM 646 CA THR A1054 -3.399 -11.207 20.448 1.00 5.06 C ATOM 647 C THR A1054 -4.376 -12.192 19.810 1.00 6.21 C ATOM 648 O THR A1054 -4.565 -13.315 20.297 1.00 6.00 O ATOM 649 CB THR A1054 -2.497 -10.508 19.430 1.00 5.47 C ATOM 650 OG1 THR A1054 -3.274 -9.642 18.598 1.00 5.97 O ATOM 651 CG2 THR A1054 -1.752 -11.519 18.544 1.00 6.19 C ATOM 652 HG1 THR A1054 -3.721 -8.960 19.160 1.00 0.00 H ATOM 653 H THR A1054 -2.460 -12.940 21.355 1.00 0.00 H ATOM 654 N VAL A1055 -5.008 -11.764 18.720 1.00 5.40 N ATOM 655 CA VAL A1055 -6.043 -12.548 18.045 1.00 2.85 C ATOM 656 C VAL A1055 -5.487 -13.334 16.860 1.00 7.29 C ATOM 657 O VAL A1055 -4.668 -12.833 16.077 1.00 8.00 O ATOM 658 CB VAL A1055 -7.208 -11.653 17.581 1.00 4.93 C ATOM 659 CG1 VAL A1055 -8.101 -11.294 18.767 1.00 5.67 C ATOM 660 CG2 VAL A1055 -6.703 -10.438 16.849 1.00 6.84 C ATOM 661 H VAL A1055 -4.756 -10.833 18.331 1.00 0.00 H ATOM 662 N TYR A1056 -5.964 -14.573 16.715 1.00 5.62 N ATOM 663 CA TYR A1056 -5.601 -15.406 15.562 1.00 4.28 C ATOM 664 C TYR A1056 -6.021 -14.764 14.235 1.00 5.95 C ATOM 665 O TYR A1056 -5.322 -14.914 13.221 1.00 5.51 O ATOM 666 CB TYR A1056 -6.237 -16.802 15.705 1.00 6.41 C ATOM 667 CG TYR A1056 -5.773 -17.793 14.676 1.00 4.34 C ATOM 668 CD1 TYR A1056 -6.423 -17.924 13.451 1.00 5.65 C ATOM 669 CD2 TYR A1056 -4.663 -18.590 14.908 1.00 8.82 C ATOM 670 CE1 TYR A1056 -5.974 -18.818 12.495 1.00 9.45 C ATOM 671 CE2 TYR A1056 -4.210 -19.490 13.944 1.00 8.25 C ATOM 672 CZ TYR A1056 -4.883 -19.599 12.747 1.00 9.08 C ATOM 673 OH TYR A1056 -4.439 -20.491 11.787 1.00 7.61 O ATOM 674 HH TYR A1056 -5.031 -20.443 10.995 1.00 0.00 H ATOM 675 H TYR A1056 -6.608 -14.957 17.436 1.00 0.00 H ATOM 676 N HIS A1057 -7.151 -14.048 14.205 1.00 7.52 N ATOM 677 CA HIS A1057 -7.586 -13.465 12.933 1.00 6.91 C ATOM 678 C HIS A1057 -6.707 -12.299 12.499 1.00 9.46 C ATOM 679 O HIS A1057 -6.803 -11.865 11.342 1.00 8.07 O ATOM 680 CB HIS A1057 -9.068 -13.061 12.994 1.00 6.20 C ATOM 681 CG HIS A1057 -9.367 -11.791 13.748 1.00 7.64 C ATOM 682 ND1 HIS A1057 -9.831 -11.786 15.047 1.00 4.99 N ATOM 683 CD2 HIS A1057 -9.382 -10.497 13.346 1.00 6.07 C ATOM 684 CE1 HIS A1057 -10.039 -10.543 15.437 1.00 7.47 C ATOM 685 NE2 HIS A1057 -9.775 -9.737 14.423 1.00 6.57 N ATOM 686 H HIS A1057 -7.711 -13.908 15.070 1.00 0.00 H ATOM 687 N GLY A1058 -5.852 -11.806 13.384 1.00 5.59 N ATOM 688 CA GLY A1058 -4.832 -10.837 13.020 1.00 7.81 C ATOM 689 C GLY A1058 -3.508 -11.505 12.713 1.00 6.81 C ATOM 690 O GLY A1058 -2.902 -11.266 11.668 1.00 5.52 O ATOM 691 H GLY A1058 -5.913 -12.123 14.372 1.00 0.00 H ATOM 692 N ALA A1059 -3.055 -12.382 13.604 1.00 7.82 N ATOM 693 CA ALA A1059 -1.697 -12.908 13.512 1.00 5.33 C ATOM 694 C ALA A1059 -1.582 -14.243 12.795 1.00 5.64 C ATOM 695 O ALA A1059 -0.467 -14.618 12.383 1.00 6.96 O ATOM 696 CB ALA A1059 -1.108 -13.072 14.915 1.00 5.36 C ATOM 697 H ALA A1059 -3.676 -12.697 14.376 1.00 0.00 H ATOM 698 N GLY A1060 -2.672 -14.989 12.675 1.00 5.06 N ATOM 699 CA GLY A1060 -2.562 -16.357 12.202 1.00 7.51 C ATOM 700 C GLY A1060 -1.544 -17.090 13.043 1.00 5.79 C ATOM 701 O GLY A1060 -1.448 -16.875 14.250 1.00 6.20 O ATOM 702 H GLY A1060 -3.603 -14.595 12.919 1.00 0.00 H ATOM 703 N THR A1061 -0.734 -17.925 12.383 1.00 6.91 N ATOM 704 CA THR A1061 0.319 -18.700 13.026 1.00 6.35 C ATOM 705 C THR A1061 1.679 -18.004 12.975 1.00 9.99 C ATOM 706 O THR A1061 2.708 -18.663 13.163 1.00 5.39 O ATOM 707 CB THR A1061 0.447 -20.074 12.364 1.00 8.66 C ATOM 708 OG1 THR A1061 0.751 -19.911 10.965 1.00 6.81 O ATOM 709 CG2 THR A1061 -0.825 -20.865 12.508 1.00 6.67 C ATOM 710 HG1 THR A1061 1.604 -19.419 10.869 1.00 0.00 H ATOM 711 H THR A1061 -0.863 -18.026 11.356 1.00 0.00 H ATOM 712 N ARG A1062 1.707 -16.700 12.705 1.00 4.50 N ATOM 713 CA ARG A1062 2.958 -16.013 12.429 1.00 4.49 C ATOM 714 C ARG A1062 3.853 -15.925 13.654 1.00 8.47 C ATOM 715 O ARG A1062 3.398 -15.765 14.785 1.00 6.93 O ATOM 716 CB ARG A1062 2.702 -14.593 11.922 1.00 5.82 C ATOM 717 CG ARG A1062 2.059 -14.497 10.544 1.00 8.83 C ATOM 718 CD ARG A1062 1.763 -13.029 10.222 1.00 9.15 C ATOM 719 NE ARG A1062 0.862 -12.855 9.075 1.00 12.96 N ATOM 720 CZ ARG A1062 1.182 -12.322 7.905 1.00 23.12 C ATOM 721 NH1 ARG A1062 2.411 -11.886 7.636 1.00 25.40 N ATOM 722 NH2 ARG A1062 0.230 -12.224 6.989 1.00 24.10 N ATOM 723 HE ARG A1062 -0.119 -13.181 9.192 1.00 0.00 H ATOM 724 HH12 ARG A1062 2.624 -11.473 6.706 1.00 0.00 H ATOM 725 HH11 ARG A1062 3.158 -11.958 8.356 1.00 0.00 H ATOM 726 HH22 ARG A1062 0.444 -11.811 6.059 1.00 0.00 H ATOM 727 HH21 ARG A1062 -0.731 -12.560 7.200 1.00 0.00 H ATOM 728 H ARG A1062 0.817 -16.163 12.691 1.00 0.00 H ATOM 729 N THR A1063 5.154 -15.972 13.391 1.00 6.18 N ATOM 730 CA THR A1063 6.149 -15.576 14.360 1.00 10.28 C ATOM 731 C THR A1063 6.046 -14.082 14.639 1.00 6.12 C ATOM 732 O THR A1063 5.468 -13.316 13.859 1.00 7.34 O ATOM 733 CB THR A1063 7.546 -15.888 13.833 1.00 5.31 C ATOM 734 OG1 THR A1063 7.713 -15.252 12.554 1.00 8.39 O ATOM 735 CG2 THR A1063 7.760 -17.385 13.688 1.00 10.86 C ATOM 736 HG1 THR A1063 7.604 -14.273 12.657 1.00 0.00 H ATOM 737 H THR A1063 5.466 -16.305 12.457 1.00 0.00 H ATOM 738 N ILE A1064 6.679 -13.660 15.740 1.00 6.35 N ATOM 739 CA ILE A1064 6.842 -12.248 16.062 1.00 5.40 C ATOM 740 C ILE A1064 8.315 -11.881 15.911 1.00 7.60 C ATOM 741 O ILE A1064 9.200 -12.671 16.262 1.00 9.65 O ATOM 742 CB ILE A1064 6.320 -11.926 17.475 1.00 6.74 C ATOM 743 CG1 ILE A1064 6.256 -10.399 17.667 1.00 6.63 C ATOM 744 CG2 ILE A1064 7.161 -12.597 18.570 1.00 8.96 C ATOM 745 CD1 ILE A1064 5.437 -9.979 18.860 1.00 7.93 C ATOM 746 H ILE A1064 7.071 -14.369 16.393 1.00 0.00 H ATOM 747 N ALA A1065 8.576 -10.696 15.355 1.00 6.85 N ATOM 748 CA ALA A1065 9.949 -10.221 15.216 1.00 11.51 C ATOM 749 C ALA A1065 10.532 -9.895 16.585 1.00 12.12 C ATOM 750 O ALA A1065 9.854 -9.321 17.446 1.00 11.29 O ATOM 751 CB ALA A1065 9.993 -8.986 14.310 1.00 9.63 C ATOM 752 H ALA A1065 7.791 -10.104 15.017 1.00 0.00 H ATOM 753 N SER A1066 11.802 -10.281 16.804 1.00 9.30 N ATOM 754 CA SER A1066 12.446 -10.029 18.089 1.00 10.50 C ATOM 755 C SER A1066 13.921 -9.716 17.849 1.00 13.48 C ATOM 756 O SER A1066 14.435 -9.900 16.742 1.00 10.43 O ATOM 757 CB SER A1066 12.303 -11.205 19.066 1.00 12.72 C ATOM 758 OG SER A1066 13.383 -12.106 18.968 1.00 24.98 O ATOM 759 HG SER A1066 13.425 -12.470 18.048 1.00 0.00 H ATOM 760 H SER A1066 12.330 -10.764 16.050 1.00 0.00 H ATOM 761 N PRO A1067 14.628 -9.231 18.861 1.00 14.74 N ATOM 762 CA PRO A1067 16.009 -8.787 18.627 1.00 15.55 C ATOM 763 C PRO A1067 16.900 -9.868 18.068 1.00 18.19 C ATOM 764 O PRO A1067 17.889 -9.562 17.389 1.00 21.16 O ATOM 765 CB PRO A1067 16.465 -8.354 20.022 1.00 14.46 C ATOM 766 CG PRO A1067 15.211 -7.980 20.732 1.00 19.34 C ATOM 767 CD PRO A1067 14.196 -8.969 20.243 1.00 15.33 C ATOM 768 N LYS A1068 16.573 -11.128 18.327 1.00 15.38 N ATOM 769 CA LYS A1068 17.408 -12.251 17.929 1.00 20.93 C ATOM 770 C LYS A1068 16.780 -13.065 16.806 1.00 25.19 C ATOM 771 O LYS A1068 17.210 -14.189 16.541 1.00 24.29 O ATOM 772 CB LYS A1068 17.682 -13.132 19.149 1.00 23.27 C ATOM 773 CG LYS A1068 18.436 -12.408 20.256 1.00 34.03 C ATOM 774 CD LYS A1068 18.203 -13.062 21.622 1.00 41.35 C ATOM 775 CE LYS A1068 18.894 -14.415 21.722 1.00 30.09 C ATOM 776 NZ LYS A1068 18.676 -15.071 23.033 1.00 18.65 N ATOM 777 HZ1 LYS A1068 19.051 -14.464 23.790 1.00 0.00 H ATOM 778 HZ2 LYS A1068 17.657 -15.221 23.179 1.00 0.00 H ATOM 779 HZ3 LYS A1068 19.168 -15.987 23.047 1.00 0.00 H ATOM 780 H LYS A1068 15.686 -11.320 18.834 1.00 0.00 H ATOM 781 N GLY A1069 15.789 -12.510 16.124 1.00 16.39 N ATOM 782 CA GLY A1069 15.129 -13.210 15.056 1.00 14.73 C ATOM 783 C GLY A1069 13.726 -13.628 15.435 1.00 14.60 C ATOM 784 O GLY A1069 13.238 -13.363 16.537 1.00 15.19 O ATOM 785 H GLY A1069 15.482 -11.547 16.367 1.00 0.00 H ATOM 786 N PRO A1070 13.051 -14.294 14.508 1.00 11.39 N ATOM 787 CA PRO A1070 11.635 -14.612 14.715 1.00 10.79 C ATOM 788 C PRO A1070 11.426 -15.586 15.863 1.00 14.99 C ATOM 789 O PRO A1070 12.200 -16.529 16.063 1.00 13.79 O ATOM 790 CB PRO A1070 11.199 -15.210 13.367 1.00 15.81 C ATOM 791 CG PRO A1070 12.448 -15.563 12.654 1.00 14.11 C ATOM 792 CD PRO A1070 13.515 -14.636 13.156 1.00 12.94 C ATOM 793 N VAL A1071 10.360 -15.336 16.615 1.00 10.17 N ATOM 794 CA VAL A1071 9.964 -16.134 17.768 1.00 10.41 C ATOM 795 C VAL A1071 8.620 -16.808 17.477 1.00 9.58 C ATOM 796 O VAL A1071 7.629 -16.130 17.166 1.00 7.37 O ATOM 797 CB VAL A1071 9.895 -15.250 19.026 1.00 11.88 C ATOM 798 CG1 VAL A1071 9.217 -15.971 20.187 1.00 12.00 C ATOM 799 CG2 VAL A1071 11.323 -14.796 19.440 1.00 12.59 C ATOM 800 H VAL A1071 9.770 -14.517 16.364 1.00 0.00 H ATOM 801 N THR A1072 8.591 -18.132 17.623 1.00 10.54 N ATOM 802 CA THR A1072 7.390 -18.931 17.389 1.00 9.75 C ATOM 803 C THR A1072 6.355 -18.724 18.499 1.00 6.65 C ATOM 804 O THR A1072 6.693 -18.559 19.673 1.00 7.81 O ATOM 805 CB THR A1072 7.782 -20.408 17.293 1.00 10.31 C ATOM 806 OG1 THR A1072 8.684 -20.572 16.194 1.00 13.53 O ATOM 807 CG2 THR A1072 6.582 -21.297 17.049 1.00 11.32 C ATOM 808 HG1 THR A1072 8.238 -20.286 15.357 1.00 0.00 H ATOM 809 H THR A1072 9.462 -18.619 17.917 1.00 0.00 H ATOM 810 N GLN A1073 5.080 -18.732 18.122 1.00 5.98 N ATOM 811 CA GLN A1073 4.024 -18.683 19.121 1.00 5.81 C ATOM 812 C GLN A1073 4.218 -19.802 20.126 1.00 6.20 C ATOM 813 O GLN A1073 4.580 -20.922 19.759 1.00 8.97 O ATOM 814 CB GLN A1073 2.660 -18.816 18.456 1.00 5.41 C ATOM 815 CG GLN A1073 2.330 -17.643 17.552 1.00 4.88 C ATOM 816 CD GLN A1073 1.006 -17.784 16.797 1.00 5.51 C ATOM 817 OE1 GLN A1073 0.190 -18.676 17.058 1.00 6.42 O ATOM 818 NE2 GLN A1073 0.789 -16.882 15.871 1.00 6.81 N ATOM 819 HE22 GLN A1073 1.502 -16.148 15.683 1.00 0.00 H ATOM 820 HE21 GLN A1073 -0.096 -16.900 15.325 1.00 0.00 H ATOM 821 H GLN A1073 4.837 -18.773 17.112 1.00 0.00 H ATOM 822 N MET A1074 4.005 -19.494 21.402 1.00 7.27 N ATOM 823 CA MET A1074 3.918 -20.549 22.403 1.00 5.69 C ATOM 824 C MET A1074 2.481 -20.959 22.703 1.00 7.64 C ATOM 825 O MET A1074 2.274 -22.010 23.311 1.00 8.91 O ATOM 826 CB MET A1074 4.619 -20.133 23.699 1.00 10.39 C ATOM 827 CG MET A1074 4.198 -18.813 24.294 1.00 11.24 C ATOM 828 SD MET A1074 4.851 -18.618 25.994 1.00 9.60 S ATOM 829 CE MET A1074 6.595 -18.939 25.794 1.00 7.91 C ATOM 830 H MET A1074 3.900 -18.499 21.686 1.00 0.00 H ATOM 831 N TYR A1075 1.495 -20.166 22.275 1.00 6.21 N ATOM 832 CA TYR A1075 0.092 -20.542 22.338 1.00 7.23 C ATOM 833 C TYR A1075 -0.584 -20.221 21.019 1.00 6.64 C ATOM 834 O TYR A1075 -0.376 -19.143 20.461 1.00 6.75 O ATOM 835 CB TYR A1075 -0.643 -19.817 23.432 1.00 7.66 C ATOM 836 CG TYR A1075 0.004 -19.958 24.797 1.00 8.02 C ATOM 837 CD1 TYR A1075 -0.057 -21.155 25.497 1.00 9.16 C ATOM 838 CD2 TYR A1075 0.700 -18.901 25.364 1.00 5.82 C ATOM 839 CE1 TYR A1075 0.542 -21.283 26.747 1.00 8.33 C ATOM 840 CE2 TYR A1075 1.302 -19.018 26.599 1.00 7.48 C ATOM 841 CZ TYR A1075 1.212 -20.210 27.290 1.00 10.03 C ATOM 842 OH TYR A1075 1.804 -20.318 28.517 1.00 7.47 O ATOM 843 HH TYR A1075 1.650 -21.227 28.878 1.00 0.00 H ATOM 844 H TYR A1075 1.742 -19.237 21.878 1.00 0.00 H ATOM 845 N THR A1076 -1.422 -21.149 20.555 1.00 6.73 N ATOM 846 CA THR A1076 -2.241 -20.964 19.360 1.00 6.06 C ATOM 847 C THR A1076 -3.554 -21.679 19.597 1.00 9.33 C ATOM 848 O THR A1076 -3.554 -22.891 19.851 1.00 8.42 O ATOM 849 CB THR A1076 -1.573 -21.538 18.105 1.00 7.04 C ATOM 850 OG1 THR A1076 -0.200 -21.145 18.057 1.00 7.36 O ATOM 851 CG2 THR A1076 -2.306 -21.072 16.844 1.00 6.53 C ATOM 852 HG1 THR A1076 -0.141 -20.157 18.034 1.00 0.00 H ATOM 853 H THR A1076 -1.496 -22.050 21.070 1.00 0.00 H ATOM 854 N ASN A1077 -4.659 -20.939 19.567 1.00 9.35 N ATOM 855 CA ASN A1077 -5.983 -21.555 19.705 1.00 5.72 C ATOM 856 C ASN A1077 -6.978 -20.853 18.782 1.00 6.29 C ATOM 857 O ASN A1077 -7.632 -19.877 19.159 1.00 7.67 O ATOM 858 CB ASN A1077 -6.458 -21.555 21.144 1.00 7.97 C ATOM 859 CG ASN A1077 -7.689 -22.412 21.315 1.00 9.75 C ATOM 860 OD1 ASN A1077 -8.484 -22.518 20.396 1.00 7.76 O ATOM 861 ND2 ASN A1077 -7.847 -23.037 22.471 1.00 13.30 N ATOM 862 HD22 ASN A1077 -7.143 -22.917 23.227 1.00 0.00 H ATOM 863 HD21 ASN A1077 -8.675 -23.648 22.623 1.00 0.00 H ATOM 864 H ASN A1077 -4.583 -19.909 19.444 1.00 0.00 H ATOM 865 N VAL A1078 -7.153 -21.423 17.592 1.00 5.75 N ATOM 866 CA VAL A1078 -8.063 -20.878 16.608 1.00 6.91 C ATOM 867 C VAL A1078 -9.493 -20.942 17.110 1.00 11.04 C ATOM 868 O VAL A1078 -10.323 -20.125 16.708 1.00 5.84 O ATOM 869 CB VAL A1078 -7.901 -21.626 15.276 1.00 6.67 C ATOM 870 CG1 VAL A1078 -8.390 -23.059 15.394 1.00 8.15 C ATOM 871 CG2 VAL A1078 -8.636 -20.902 14.160 1.00 9.77 C ATOM 872 H VAL A1078 -6.620 -22.286 17.363 1.00 0.00 H ATOM 873 N ASP A1079 -9.811 -21.904 17.992 1.00 9.94 N ATOM 874 CA ASP A1079 -11.185 -22.005 18.489 1.00 12.61 C ATOM 875 C ASP A1079 -11.542 -20.827 19.386 1.00 10.72 C ATOM 876 O ASP A1079 -12.723 -20.495 19.525 1.00 12.38 O ATOM 877 CB ASP A1079 -11.393 -23.298 19.267 1.00 9.66 C ATOM 878 CG ASP A1079 -11.277 -24.537 18.404 1.00 10.86 C ATOM 879 OD1 ASP A1079 -11.747 -24.521 17.247 1.00 11.19 O ATOM 880 OD2 ASP A1079 -10.722 -25.523 18.912 1.00 15.17 O ATOM 881 H ASP A1079 -9.086 -22.573 18.320 1.00 0.00 H ATOM 882 N LYS A1080 -10.552 -20.213 20.022 1.00 6.08 N ATOM 883 CA LYS A1080 -10.762 -19.020 20.832 1.00 6.30 C ATOM 884 C LYS A1080 -10.344 -17.735 20.123 1.00 4.58 C ATOM 885 O LYS A1080 -10.442 -16.654 20.720 1.00 6.64 O ATOM 886 CB LYS A1080 -9.978 -19.131 22.141 1.00 9.94 C ATOM 887 CG LYS A1080 -10.351 -20.323 23.016 1.00 13.47 C ATOM 888 CD LYS A1080 -9.564 -20.283 24.334 1.00 15.36 C ATOM 889 CE LYS A1080 -9.642 -21.587 25.125 1.00 26.69 C ATOM 890 NZ LYS A1080 -8.861 -21.532 26.410 1.00 22.65 N ATOM 891 HZ1 LYS A1080 -7.860 -21.346 26.198 1.00 0.00 H ATOM 892 HZ2 LYS A1080 -9.237 -20.771 27.010 1.00 0.00 H ATOM 893 HZ3 LYS A1080 -8.948 -22.442 26.906 1.00 0.00 H ATOM 894 H LYS A1080 -9.589 -20.598 19.939 1.00 0.00 H ATOM 895 N ASP A1081 -9.844 -17.830 18.897 1.00 6.70 N ATOM 896 CA ASP A1081 -9.261 -16.688 18.198 1.00 6.91 C ATOM 897 C ASP A1081 -8.091 -16.080 18.966 1.00 7.78 C ATOM 898 O ASP A1081 -7.936 -14.856 19.004 1.00 5.62 O ATOM 899 CB ASP A1081 -10.330 -15.624 17.935 1.00 5.75 C ATOM 900 CG ASP A1081 -9.912 -14.614 16.884 1.00 6.09 C ATOM 901 OD1 ASP A1081 -8.954 -14.879 16.117 1.00 6.63 O ATOM 902 OD2 ASP A1081 -10.583 -13.560 16.791 1.00 7.81 O ATOM 903 H ASP A1081 -9.868 -18.752 18.416 1.00 0.00 H ATOM 904 N LEU A1082 -7.220 -16.940 19.525 1.00 5.18 N ATOM 905 CA LEU A1082 -6.201 -16.527 20.491 1.00 7.86 C ATOM 906 C LEU A1082 -4.825 -17.060 20.119 1.00 6.82 C ATOM 907 O LEU A1082 -4.677 -18.242 19.783 1.00 6.77 O ATOM 908 CB LEU A1082 -6.547 -17.034 21.877 1.00 7.47 C ATOM 909 CG LEU A1082 -5.625 -16.682 23.050 1.00 7.07 C ATOM 910 CD1 LEU A1082 -5.655 -15.178 23.347 1.00 6.98 C ATOM 911 CD2 LEU A1082 -6.025 -17.498 24.282 1.00 13.38 C ATOM 912 H LEU A1082 -7.273 -17.944 19.258 1.00 0.00 H ATOM 913 N VAL A1083 -3.810 -16.196 20.213 1.00 5.88 N ATOM 914 CA VAL A1083 -2.421 -16.626 20.096 1.00 6.71 C ATOM 915 C VAL A1083 -1.590 -15.878 21.134 1.00 5.86 C ATOM 916 O VAL A1083 -1.979 -14.826 21.643 1.00 5.85 O ATOM 917 CB VAL A1083 -1.831 -16.409 18.681 1.00 6.53 C ATOM 918 CG1 VAL A1083 -2.776 -16.937 17.589 1.00 6.81 C ATOM 919 CG2 VAL A1083 -1.483 -14.970 18.449 1.00 9.12 C ATOM 920 H VAL A1083 -4.016 -15.189 20.374 1.00 0.00 H ATOM 921 N GLY A1084 -0.415 -16.406 21.403 1.00 6.06 N ATOM 922 CA GLY A1084 0.473 -15.773 22.353 1.00 6.25 C ATOM 923 C GLY A1084 1.925 -16.100 22.082 1.00 6.67 C ATOM 924 O GLY A1084 2.248 -17.220 21.665 1.00 6.31 O ATOM 925 H GLY A1084 -0.123 -17.285 20.929 1.00 0.00 H ATOM 926 N TRP A1085 2.794 -15.127 22.342 1.00 8.34 N ATOM 927 CA TRP A1085 4.239 -15.283 22.326 1.00 5.40 C ATOM 928 C TRP A1085 4.810 -14.874 23.676 1.00 5.33 C ATOM 929 O TRP A1085 4.223 -14.072 24.409 1.00 6.73 O ATOM 930 CB TRP A1085 4.911 -14.399 21.263 1.00 4.59 C ATOM 931 CG TRP A1085 4.393 -14.443 19.855 1.00 5.27 C ATOM 932 CD1 TRP A1085 4.834 -15.238 18.843 1.00 7.79 C ATOM 933 CD2 TRP A1085 3.399 -13.581 19.284 1.00 7.87 C ATOM 934 NE1 TRP A1085 4.159 -14.943 17.682 1.00 7.33 N ATOM 935 CE2 TRP A1085 3.264 -13.937 17.930 1.00 7.25 C ATOM 936 CE3 TRP A1085 2.610 -12.550 19.792 1.00 7.24 C ATOM 937 CZ2 TRP A1085 2.373 -13.297 17.073 1.00 6.54 C ATOM 938 CZ3 TRP A1085 1.713 -11.920 18.935 1.00 6.32 C ATOM 939 CH2 TRP A1085 1.615 -12.287 17.598 1.00 8.14 C ATOM 940 HE1 TRP A1085 4.305 -15.409 16.764 1.00 0.00 H ATOM 941 H TRP A1085 2.412 -14.188 22.573 1.00 0.00 H ATOM 942 N GLN A1086 5.987 -15.400 24.001 1.00 7.10 N ATOM 943 CA GLN A1086 6.707 -14.896 25.157 1.00 7.77 C ATOM 944 C GLN A1086 6.803 -13.372 25.086 1.00 5.43 C ATOM 945 O GLN A1086 7.115 -12.797 24.041 1.00 5.74 O ATOM 946 CB GLN A1086 8.110 -15.523 25.230 1.00 8.93 C ATOM 947 CG GLN A1086 8.997 -15.200 24.042 1.00 8.14 C ATOM 948 CD GLN A1086 9.932 -16.344 23.662 1.00 11.33 C ATOM 949 OE1 GLN A1086 9.506 -17.487 23.446 1.00 9.93 O ATOM 950 NE2 GLN A1086 11.214 -16.040 23.586 1.00 14.71 N ATOM 951 HE22 GLN A1086 11.530 -15.067 23.775 1.00 0.00 H ATOM 952 HE21 GLN A1086 11.908 -16.773 23.337 1.00 0.00 H ATOM 953 H GLN A1086 6.391 -16.170 23.429 1.00 0.00 H ATOM 954 N ALA A1087 6.546 -12.718 26.215 1.00 7.24 N ATOM 955 CA ALA A1087 6.495 -11.260 26.216 1.00 7.41 C ATOM 956 C ALA A1087 7.875 -10.677 25.915 1.00 8.61 C ATOM 957 O ALA A1087 8.879 -11.134 26.472 1.00 9.61 O ATOM 958 CB ALA A1087 5.990 -10.728 27.549 1.00 6.93 C ATOM 959 H ALA A1087 6.382 -13.245 27.096 1.00 0.00 H ATOM 960 N PRO A1088 7.957 -9.663 25.051 1.00 8.75 N ATOM 961 CA PRO A1088 9.266 -9.079 24.717 1.00 10.72 C ATOM 962 C PRO A1088 9.969 -8.476 25.916 1.00 13.02 C ATOM 963 O PRO A1088 9.343 -7.924 26.822 1.00 14.10 O ATOM 964 CB PRO A1088 8.924 -7.986 23.692 1.00 12.34 C ATOM 965 CG PRO A1088 7.581 -8.340 23.160 1.00 17.81 C ATOM 966 CD PRO A1088 6.863 -9.074 24.256 1.00 13.09 C ATOM 967 N GLN A1089 11.299 -8.565 25.901 1.00 11.94 N ATOM 968 CA GLN A1089 12.078 -7.907 26.937 1.00 12.57 C ATOM 969 C GLN A1089 11.741 -6.429 26.947 1.00 12.60 C ATOM 970 O GLN A1089 11.681 -5.778 25.900 1.00 15.77 O ATOM 971 CB GLN A1089 13.579 -8.120 26.714 1.00 22.24 C ATOM 972 CG GLN A1089 14.052 -9.533 27.049 1.00 31.88 C ATOM 973 CD GLN A1089 13.936 -9.885 28.540 1.00 42.27 C ATOM 974 OE1 GLN A1089 13.053 -10.654 28.955 1.00 39.98 O ATOM 975 NE2 GLN A1089 14.835 -9.327 29.345 1.00 44.72 N ATOM 976 HE22 GLN A1089 15.557 -8.689 28.955 1.00 0.00 H ATOM 977 HE21 GLN A1089 14.816 -9.529 30.365 1.00 0.00 H ATOM 978 H GLN A1089 11.778 -9.103 25.151 1.00 0.00 H ATOM 979 N GLY A1090 11.476 -5.908 28.129 1.00 10.93 N ATOM 980 CA GLY A1090 11.160 -4.516 28.289 1.00 16.86 C ATOM 981 C GLY A1090 9.682 -4.239 28.406 1.00 9.68 C ATOM 982 O GLY A1090 9.304 -3.190 28.932 1.00 12.48 O ATOM 983 H GLY A1090 11.496 -6.522 28.968 1.00 0.00 H ATOM 984 N SER A1091 8.839 -5.133 27.905 1.00 12.91 N ATOM 985 CA SER A1091 7.417 -4.983 28.134 1.00 10.77 C ATOM 986 C SER A1091 7.107 -5.146 29.619 1.00 12.34 C ATOM 987 O SER A1091 7.924 -5.628 30.411 1.00 12.42 O ATOM 988 CB SER A1091 6.624 -6.001 27.300 1.00 10.61 C ATOM 989 OG SER A1091 6.957 -7.339 27.623 1.00 11.29 O ATOM 990 HG SER A1091 7.921 -7.488 27.453 1.00 0.00 H ATOM 991 H SER A1091 9.198 -5.937 27.351 1.00 0.00 H ATOM 992 N ARG A1092 5.914 -4.706 29.994 1.00 10.79 N ATOM 993 CA ARG A1092 5.364 -4.930 31.315 1.00 10.35 C ATOM 994 C ARG A1092 4.036 -5.648 31.136 1.00 10.71 C ATOM 995 O ARG A1092 3.372 -5.478 30.108 1.00 11.25 O ATOM 996 CB ARG A1092 5.172 -3.598 32.066 1.00 15.78 C ATOM 997 H ARG A1092 5.345 -4.174 29.305 1.00 0.00 H ATOM 998 N SER A1093 3.674 -6.489 32.108 1.00 9.26 N ATOM 999 CA SER A1093 2.488 -7.332 32.014 1.00 9.03 C ATOM 1000 C SER A1093 1.385 -6.825 32.918 1.00 7.57 C ATOM 1001 O SER A1093 1.641 -6.406 34.056 1.00 8.80 O ATOM 1002 CB SER A1093 2.756 -8.783 32.425 1.00 13.10 C ATOM 1003 OG SER A1093 3.144 -9.592 31.347 1.00 16.02 O ATOM 1004 HG SER A1093 3.976 -9.232 30.948 1.00 0.00 H ATOM 1005 H SER A1093 4.261 -6.545 32.965 1.00 0.00 H ATOM 1006 N LEU A1094 0.157 -6.918 32.427 1.00 6.66 N ATOM 1007 CA LEU A1094 -1.004 -6.729 33.275 1.00 8.06 C ATOM 1008 C LEU A1094 -1.210 -7.951 34.169 1.00 9.37 C ATOM 1009 O LEU A1094 -0.862 -9.076 33.810 1.00 9.88 O ATOM 1010 CB LEU A1094 -2.249 -6.497 32.422 1.00 9.89 C ATOM 1011 CG LEU A1094 -2.234 -5.236 31.563 1.00 9.24 C ATOM 1012 CD1 LEU A1094 -3.353 -5.293 30.568 1.00 10.92 C ATOM 1013 CD2 LEU A1094 -2.350 -3.991 32.431 1.00 13.15 C ATOM 1014 H LEU A1094 0.024 -7.130 31.418 1.00 0.00 H ATOM 1015 N THR A1095 -1.814 -7.721 35.326 1.00 11.94 N ATOM 1016 CA THR A1095 -2.163 -8.788 36.257 1.00 10.36 C ATOM 1017 C THR A1095 -3.587 -9.270 35.996 1.00 6.26 C ATOM 1018 O THR A1095 -4.495 -8.440 35.834 1.00 9.94 O ATOM 1019 CB THR A1095 -2.056 -8.319 37.701 1.00 20.30 C ATOM 1020 OG1 THR A1095 -0.736 -7.825 37.956 1.00 19.29 O ATOM 1021 CG2 THR A1095 -2.339 -9.481 38.643 1.00 15.95 C ATOM 1022 HG1 THR A1095 -0.546 -7.065 37.350 1.00 0.00 H ATOM 1023 H THR A1095 -2.049 -6.740 35.580 1.00 0.00 H ATOM 1024 N PRO A1096 -3.823 -10.570 35.938 1.00 9.67 N ATOM 1025 CA PRO A1096 -5.196 -11.056 35.760 1.00 9.36 C ATOM 1026 C PRO A1096 -6.118 -10.593 36.886 1.00 9.85 C ATOM 1027 O PRO A1096 -5.768 -10.632 38.069 1.00 9.43 O ATOM 1028 CB PRO A1096 -5.033 -12.576 35.744 1.00 10.31 C ATOM 1029 CG PRO A1096 -3.600 -12.789 35.297 1.00 16.59 C ATOM 1030 CD PRO A1096 -2.840 -11.672 35.910 1.00 13.43 C ATOM 1031 N CYS A1097 -7.303 -10.141 36.503 1.00 9.75 N ATOM 1032 CA CYS A1097 -8.250 -9.606 37.476 1.00 6.85 C ATOM 1033 C CYS A1097 -8.858 -10.719 38.325 1.00 9.46 C ATOM 1034 O CYS A1097 -9.255 -11.769 37.813 1.00 11.36 O ATOM 1035 CB CYS A1097 -9.360 -8.835 36.755 1.00 9.15 C ATOM 1036 SG CYS A1097 -10.549 -8.077 37.897 1.00 8.45 S ATOM 1037 H CYS A1097 -7.562 -10.168 35.496 1.00 0.00 H ATOM 1038 N THR A1098 -8.920 -10.477 39.641 1.00 10.29 N ATOM 1039 CA THR A1098 -9.634 -11.340 40.578 1.00 13.02 C ATOM 1040 C THR A1098 -10.709 -10.577 41.357 1.00 10.45 C ATOM 1041 O THR A1098 -11.144 -11.033 42.422 1.00 11.30 O ATOM 1042 CB THR A1098 -8.647 -12.004 41.542 1.00 9.94 C ATOM 1043 OG1 THR A1098 -7.966 -11.007 42.308 1.00 12.02 O ATOM 1044 CG2 THR A1098 -7.632 -12.811 40.779 1.00 12.31 C ATOM 1045 HG1 THR A1098 -8.626 -10.483 42.827 1.00 0.00 H ATOM 1046 H THR A1098 -8.437 -9.635 40.013 1.00 0.00 H ATOM 1047 N CYS A1099 -11.138 -9.421 40.846 1.00 8.78 N ATOM 1048 CA CYS A1099 -12.066 -8.541 41.541 1.00 11.23 C ATOM 1049 C CYS A1099 -13.514 -9.009 41.458 1.00 11.27 C ATOM 1050 O CYS A1099 -14.319 -8.638 42.321 1.00 9.15 O ATOM 1051 CB CYS A1099 -11.968 -7.116 40.958 1.00 8.60 C ATOM 1052 SG CYS A1099 -10.369 -6.334 41.216 1.00 10.20 S ATOM 1053 H CYS A1099 -10.793 -9.136 39.907 1.00 0.00 H ATOM 1054 N GLY A1100 -13.875 -9.773 40.432 1.00 9.55 N ATOM 1055 CA GLY A1100 -15.264 -10.158 40.255 1.00 9.23 C ATOM 1056 C GLY A1100 -16.181 -8.997 39.936 1.00 13.20 C ATOM 1057 O GLY A1100 -17.382 -9.091 40.198 1.00 15.86 O ATOM 1058 H GLY A1100 -13.158 -10.097 39.752 1.00 0.00 H ATOM 1059 N SER A1101 -15.637 -7.920 39.346 1.00 9.45 N ATOM 1060 CA SER A1101 -16.294 -6.636 39.097 1.00 14.23 C ATOM 1061 C SER A1101 -16.764 -6.556 37.650 1.00 11.31 C ATOM 1062 O SER A1101 -16.095 -7.050 36.745 1.00 12.48 O ATOM 1063 CB SER A1101 -15.324 -5.464 39.368 1.00 17.27 C ATOM 1064 OG SER A1101 -15.677 -4.256 38.644 1.00 21.80 O ATOM 1065 HG SER A1101 -15.024 -3.543 38.856 1.00 0.00 H ATOM 1066 H SER A1101 -14.649 -8.007 39.034 1.00 0.00 H ATOM 1067 N SER A1102 -17.914 -5.919 37.430 1.00 9.58 N ATOM 1068 CA SER A1102 -18.469 -5.837 36.085 1.00 8.87 C ATOM 1069 C SER A1102 -18.395 -4.448 35.464 1.00 10.84 C ATOM 1070 O SER A1102 -18.959 -4.233 34.384 1.00 8.04 O ATOM 1071 CB SER A1102 -19.908 -6.341 36.102 1.00 9.53 C ATOM 1072 OG SER A1102 -19.881 -7.741 36.240 1.00 10.60 O ATOM 1073 HG SER A1102 -19.426 -7.979 37.086 1.00 0.00 H ATOM 1074 H SER A1102 -18.419 -5.477 38.224 1.00 0.00 H ATOM 1075 N ASP A1103 -17.669 -3.515 36.073 1.00 8.21 N ATOM 1076 CA ASP A1103 -17.459 -2.210 35.465 1.00 8.79 C ATOM 1077 C ASP A1103 -16.081 -2.230 34.819 1.00 10.28 C ATOM 1078 O ASP A1103 -15.060 -2.235 35.516 1.00 9.99 O ATOM 1079 CB ASP A1103 -17.602 -1.100 36.497 1.00 9.08 C ATOM 1080 CG ASP A1103 -19.027 -0.960 37.011 1.00 11.01 C ATOM 1081 OD1 ASP A1103 -19.994 -1.210 36.250 1.00 8.46 O ATOM 1082 OD2 ASP A1103 -19.187 -0.593 38.190 1.00 10.58 O ATOM 1083 H ASP A1103 -17.244 -3.722 37.000 1.00 0.00 H ATOM 1084 N LEU A1104 -16.060 -2.282 33.490 1.00 7.56 N ATOM 1085 CA LEU A1104 -14.842 -2.490 32.722 1.00 5.53 C ATOM 1086 C LEU A1104 -14.513 -1.286 31.848 1.00 8.20 C ATOM 1087 O LEU A1104 -15.288 -0.333 31.723 1.00 7.91 O ATOM 1088 CB LEU A1104 -14.958 -3.734 31.840 1.00 9.05 C ATOM 1089 CG LEU A1104 -15.520 -4.998 32.513 1.00 8.44 C ATOM 1090 CD1 LEU A1104 -15.551 -6.173 31.549 1.00 13.39 C ATOM 1091 CD2 LEU A1104 -14.715 -5.337 33.714 1.00 9.20 C ATOM 1092 H LEU A1104 -16.957 -2.169 32.976 1.00 0.00 H ATOM 1093 N TYR A1105 -13.322 -1.356 31.246 1.00 7.08 N ATOM 1094 CA TYR A1105 -12.795 -0.318 30.373 1.00 7.62 C ATOM 1095 C TYR A1105 -12.042 -0.968 29.222 1.00 9.46 C ATOM 1096 O TYR A1105 -11.136 -1.777 29.445 1.00 10.05 O ATOM 1097 CB TYR A1105 -11.887 0.633 31.172 1.00 5.94 C ATOM 1098 CG TYR A1105 -12.663 1.186 32.357 1.00 6.90 C ATOM 1099 CD1 TYR A1105 -13.469 2.312 32.212 1.00 11.27 C ATOM 1100 CD2 TYR A1105 -12.656 0.532 33.578 1.00 10.68 C ATOM 1101 CE1 TYR A1105 -14.246 2.788 33.271 1.00 13.95 C ATOM 1102 CE2 TYR A1105 -13.430 1.000 34.645 1.00 10.48 C ATOM 1103 CZ TYR A1105 -14.214 2.133 34.480 1.00 17.05 C ATOM 1104 OH TYR A1105 -14.986 2.620 35.514 1.00 18.32 O ATOM 1105 HH TYR A1105 -14.402 2.853 36.279 1.00 0.00 H ATOM 1106 H TYR A1105 -12.738 -2.201 31.411 1.00 0.00 H ATOM 1107 N LEU A1106 -12.430 -0.626 28.001 1.00 5.97 N ATOM 1108 CA LEU A1106 -11.767 -1.124 26.806 1.00 5.24 C ATOM 1109 C LEU A1106 -10.796 -0.056 26.327 1.00 6.89 C ATOM 1110 O LEU A1106 -11.150 1.124 26.272 1.00 9.74 O ATOM 1111 CB LEU A1106 -12.787 -1.446 25.716 1.00 7.72 C ATOM 1112 CG LEU A1106 -12.264 -1.856 24.341 1.00 8.32 C ATOM 1113 CD1 LEU A1106 -11.598 -3.181 24.411 1.00 11.54 C ATOM 1114 CD2 LEU A1106 -13.423 -1.919 23.377 1.00 14.96 C ATOM 1115 H LEU A1106 -13.237 0.021 27.894 1.00 0.00 H ATOM 1116 N VAL A1107 -9.582 -0.466 25.983 1.00 6.50 N ATOM 1117 CA VAL A1107 -8.555 0.444 25.484 1.00 7.12 C ATOM 1118 C VAL A1107 -8.389 0.200 23.987 1.00 7.73 C ATOM 1119 O VAL A1107 -8.065 -0.919 23.570 1.00 9.33 O ATOM 1120 CB VAL A1107 -7.222 0.239 26.222 1.00 9.98 C ATOM 1121 CG1 VAL A1107 -6.155 1.209 25.676 1.00 12.14 C ATOM 1122 CG2 VAL A1107 -7.403 0.429 27.709 1.00 12.59 C ATOM 1123 H VAL A1107 -9.353 -1.476 26.072 1.00 0.00 H ATOM 1124 N THR A1108 -8.589 1.244 23.181 1.00 6.63 N ATOM 1125 CA THR A1108 -8.469 1.127 21.735 1.00 5.47 C ATOM 1126 C THR A1108 -7.083 1.525 21.220 1.00 5.20 C ATOM 1127 O THR A1108 -6.245 2.088 21.935 1.00 5.53 O ATOM 1128 CB THR A1108 -9.487 2.006 21.021 1.00 7.27 C ATOM 1129 OG1 THR A1108 -9.035 3.365 21.070 1.00 6.67 O ATOM 1130 CG2 THR A1108 -10.874 1.891 21.628 1.00 10.04 C ATOM 1131 HG1 THR A1108 -9.690 3.946 20.608 1.00 0.00 H ATOM 1132 H THR A1108 -8.837 2.165 23.596 1.00 0.00 H ATOM 1133 N ARG A1109 -6.862 1.231 19.927 1.00 5.01 N ATOM 1134 CA ARG A1109 -5.600 1.547 19.259 1.00 5.76 C ATOM 1135 C ARG A1109 -5.362 3.043 19.139 1.00 5.74 C ATOM 1136 O ARG A1109 -4.239 3.452 18.807 1.00 8.42 O ATOM 1137 CB ARG A1109 -5.562 0.909 17.872 1.00 7.01 C ATOM 1138 CG ARG A1109 -6.456 1.559 16.826 1.00 10.24 C ATOM 1139 CD ARG A1109 -6.240 0.940 15.439 1.00 10.91 C ATOM 1140 NE ARG A1109 -4.917 1.221 14.878 1.00 11.13 N ATOM 1141 CZ ARG A1109 -3.948 0.327 14.699 1.00 10.54 C ATOM 1142 NH1 ARG A1109 -4.117 -0.942 15.048 1.00 9.60 N ATOM 1143 NH2 ARG A1109 -2.797 0.703 14.149 1.00 13.16 N ATOM 1144 HE ARG A1109 -4.718 2.202 14.596 1.00 0.00 H ATOM 1145 HH12 ARG A1109 -3.349 -1.628 14.901 1.00 0.00 H ATOM 1146 HH11 ARG A1109 -5.017 -1.250 15.468 1.00 0.00 H ATOM 1147 HH22 ARG A1109 -2.037 0.008 14.007 1.00 0.00 H ATOM 1148 HH21 ARG A1109 -2.657 1.692 13.861 1.00 0.00 H ATOM 1149 H ARG A1109 -7.614 0.763 19.383 1.00 0.00 H ATOM 1150 N HIS A1110 -6.390 3.856 19.359 1.00 8.13 N ATOM 1151 CA HIS A1110 -6.270 5.304 19.374 1.00 7.67 C ATOM 1152 C HIS A1110 -6.177 5.848 20.785 1.00 6.79 C ATOM 1153 O HIS A1110 -6.286 7.063 20.986 1.00 12.27 O ATOM 1154 CB HIS A1110 -7.454 5.924 18.630 1.00 10.04 C ATOM 1155 CG HIS A1110 -7.679 5.316 17.278 1.00 11.12 C ATOM 1156 ND1 HIS A1110 -6.764 5.432 16.256 1.00 11.56 N ATOM 1157 CD2 HIS A1110 -8.695 4.561 16.791 1.00 13.13 C ATOM 1158 CE1 HIS A1110 -7.204 4.773 15.198 1.00 11.93 C ATOM 1159 NE2 HIS A1110 -8.375 4.238 15.494 1.00 11.10 N ATOM 1160 H HIS A1110 -7.326 3.435 19.529 1.00 0.00 H ATOM 1161 N ALA A1111 -6.014 4.960 21.761 1.00 7.05 N ATOM 1162 CA ALA A1111 -5.860 5.281 23.168 1.00 5.76 C ATOM 1163 C ALA A1111 -7.131 5.869 23.753 1.00 9.93 C ATOM 1164 O ALA A1111 -7.082 6.602 24.746 1.00 10.26 O ATOM 1165 CB ALA A1111 -4.680 6.226 23.407 1.00 10.92 C ATOM 1166 H ALA A1111 -5.995 3.955 21.495 1.00 0.00 H ATOM 1167 N ASP A1112 -8.271 5.579 23.141 1.00 9.09 N ATOM 1168 CA ASP A1112 -9.546 5.891 23.756 1.00 8.94 C ATOM 1169 C ASP A1112 -9.812 4.840 24.831 1.00 12.96 C ATOM 1170 O ASP A1112 -9.517 3.662 24.640 1.00 11.70 O ATOM 1171 CB ASP A1112 -10.655 5.912 22.698 1.00 9.71 C ATOM 1172 CG ASP A1112 -10.494 7.044 21.689 1.00 11.11 C ATOM 1173 OD1 ASP A1112 -10.313 8.204 22.119 1.00 17.10 O ATOM 1174 OD2 ASP A1112 -10.539 6.766 20.470 1.00 17.99 O ATOM 1175 H ASP A1112 -8.250 5.122 22.207 1.00 0.00 H ATOM 1176 N VAL A1113 -10.347 5.270 25.970 1.00 10.80 N ATOM 1177 CA VAL A1113 -10.727 4.370 27.055 1.00 10.98 C ATOM 1178 C VAL A1113 -12.248 4.362 27.113 1.00 17.06 C ATOM 1179 O VAL A1113 -12.875 5.393 27.389 1.00 21.82 O ATOM 1180 CB VAL A1113 -10.108 4.794 28.396 1.00 12.54 C ATOM 1181 CG1 VAL A1113 -10.620 3.914 29.526 1.00 17.76 C ATOM 1182 CG2 VAL A1113 -8.582 4.716 28.336 1.00 16.83 C ATOM 1183 H VAL A1113 -10.501 6.291 26.093 1.00 0.00 H ATOM 1184 N ILE A1114 -12.841 3.206 26.833 1.00 9.73 N ATOM 1185 CA ILE A1114 -14.265 3.080 26.559 1.00 10.31 C ATOM 1186 C ILE A1114 -14.907 2.354 27.742 1.00 9.92 C ATOM 1187 O ILE A1114 -14.615 1.173 27.960 1.00 9.12 O ATOM 1188 CB ILE A1114 -14.514 2.314 25.254 1.00 9.03 C ATOM 1189 CG1 ILE A1114 -13.992 3.095 24.045 1.00 16.38 C ATOM 1190 CG2 ILE A1114 -16.018 2.034 25.067 1.00 15.44 C ATOM 1191 CD1 ILE A1114 -14.133 2.331 22.738 1.00 19.95 C ATOM 1192 H ILE A1114 -12.257 2.346 26.808 1.00 0.00 H ATOM 1193 N PRO A1115 -15.789 2.986 28.508 1.00 8.10 N ATOM 1194 CA PRO A1115 -16.479 2.244 29.571 1.00 9.58 C ATOM 1195 C PRO A1115 -17.365 1.160 28.987 1.00 6.44 C ATOM 1196 O PRO A1115 -18.101 1.388 28.024 1.00 6.19 O ATOM 1197 CB PRO A1115 -17.296 3.322 30.288 1.00 12.85 C ATOM 1198 CG PRO A1115 -16.551 4.618 29.971 1.00 15.48 C ATOM 1199 CD PRO A1115 -16.029 4.434 28.589 1.00 14.11 C ATOM 1200 N VAL A1116 -17.291 -0.013 29.602 1.00 9.37 N ATOM 1201 CA VAL A1116 -18.003 -1.215 29.188 1.00 6.42 C ATOM 1202 C VAL A1116 -18.560 -1.888 30.435 1.00 6.29 C ATOM 1203 O VAL A1116 -17.821 -2.136 31.396 1.00 8.00 O ATOM 1204 CB VAL A1116 -17.091 -2.207 28.437 1.00 6.27 C ATOM 1205 CG1 VAL A1116 -17.810 -3.531 28.223 1.00 9.37 C ATOM 1206 CG2 VAL A1116 -16.641 -1.651 27.104 1.00 6.69 C ATOM 1207 H VAL A1116 -16.680 -0.080 30.441 1.00 0.00 H ATOM 1208 N ARG A1117 -19.851 -2.201 30.422 1.00 6.60 N ATOM 1209 CA ARG A1117 -20.479 -2.969 31.488 1.00 6.11 C ATOM 1210 C ARG A1117 -20.444 -4.446 31.107 1.00 8.58 C ATOM 1211 O ARG A1117 -20.929 -4.824 30.036 1.00 5.55 O ATOM 1212 CB ARG A1117 -21.926 -2.511 31.703 1.00 7.44 C ATOM 1213 CG ARG A1117 -22.723 -3.345 32.680 1.00 9.02 C ATOM 1214 CD ARG A1117 -22.207 -3.196 34.125 1.00 8.70 C ATOM 1215 NE ARG A1117 -22.922 -4.088 35.052 1.00 7.22 N ATOM 1216 CZ ARG A1117 -22.779 -4.099 36.370 1.00 9.54 C ATOM 1217 NH1 ARG A1117 -23.484 -4.967 37.084 1.00 8.01 N ATOM 1218 NH2 ARG A1117 -21.956 -3.250 36.982 1.00 8.43 N ATOM 1219 HE ARG A1117 -23.595 -4.765 34.639 1.00 0.00 H ATOM 1220 HH12 ARG A1117 -23.385 -4.991 38.119 1.00 0.00 H ATOM 1221 HH11 ARG A1117 -24.135 -5.624 36.609 1.00 0.00 H ATOM 1222 HH22 ARG A1117 -21.858 -3.275 38.017 1.00 0.00 H ATOM 1223 HH21 ARG A1117 -21.411 -2.562 36.425 1.00 0.00 H ATOM 1224 H ARG A1117 -20.435 -1.886 29.621 1.00 0.00 H ATOM 1225 N ARG A1118 -19.859 -5.274 31.959 1.00 5.34 N ATOM 1226 CA ARG A1118 -19.829 -6.701 31.677 1.00 5.07 C ATOM 1227 C ARG A1118 -21.244 -7.262 31.700 1.00 6.04 C ATOM 1228 O ARG A1118 -22.002 -7.006 32.639 1.00 7.87 O ATOM 1229 CB ARG A1118 -18.967 -7.429 32.685 1.00 5.13 C ATOM 1230 CG ARG A1118 -18.470 -8.725 32.121 1.00 3.99 C ATOM 1231 CD ARG A1118 -17.670 -9.520 33.111 1.00 7.04 C ATOM 1232 NE ARG A1118 -17.164 -10.738 32.489 1.00 7.88 N ATOM 1233 CZ ARG A1118 -16.081 -11.385 32.883 1.00 7.42 C ATOM 1234 NH1 ARG A1118 -15.379 -10.956 33.915 1.00 9.47 N ATOM 1235 NH2 ARG A1118 -15.693 -12.468 32.233 1.00 8.38 N ATOM 1236 HE ARG A1118 -17.691 -11.124 31.680 1.00 0.00 H ATOM 1237 HH12 ARG A1118 -14.528 -11.473 34.216 1.00 0.00 H ATOM 1238 HH11 ARG A1118 -15.676 -10.101 34.427 1.00 0.00 H ATOM 1239 HH22 ARG A1118 -14.842 -12.981 32.539 1.00 0.00 H ATOM 1240 HH21 ARG A1118 -16.239 -12.807 31.416 1.00 0.00 H ATOM 1241 H ARG A1118 -19.422 -4.905 32.828 1.00 0.00 H ATOM 1242 N ARG A1119 -21.591 -8.036 30.667 1.00 5.07 N ATOM 1243 CA ARG A1119 -22.931 -8.586 30.498 1.00 7.55 C ATOM 1244 C ARG A1119 -22.967 -10.102 30.462 1.00 10.06 C ATOM 1245 O ARG A1119 -24.064 -10.676 30.408 1.00 6.70 O ATOM 1246 CB ARG A1119 -23.567 -8.064 29.206 1.00 6.16 C ATOM 1247 CG ARG A1119 -23.763 -6.572 29.186 1.00 10.71 C ATOM 1248 CD ARG A1119 -24.721 -6.130 30.279 1.00 13.79 C ATOM 1249 NE ARG A1119 -25.140 -4.755 30.056 1.00 10.31 N ATOM 1250 CZ ARG A1119 -25.918 -4.066 30.877 1.00 14.24 C ATOM 1251 NH1 ARG A1119 -26.338 -4.607 32.012 1.00 13.54 N ATOM 1252 NH2 ARG A1119 -26.266 -2.831 30.557 1.00 13.72 N ATOM 1253 HE ARG A1119 -24.806 -4.281 29.193 1.00 0.00 H ATOM 1254 HH12 ARG A1119 -26.949 -4.062 32.653 1.00 0.00 H ATOM 1255 HH11 ARG A1119 -26.057 -5.577 32.261 1.00 0.00 H ATOM 1256 HH22 ARG A1119 -26.877 -2.281 31.194 1.00 0.00 H ATOM 1257 HH21 ARG A1119 -25.929 -2.410 29.668 1.00 0.00 H ATOM 1258 H ARG A1119 -20.871 -8.257 29.950 1.00 0.00 H ATOM 1259 N GLY A1120 -21.811 -10.754 30.480 1.00 9.31 N ATOM 1260 CA GLY A1120 -21.729 -12.201 30.485 1.00 7.48 C ATOM 1261 C GLY A1120 -20.274 -12.602 30.605 1.00 4.97 C ATOM 1262 O GLY A1120 -19.398 -11.759 30.829 1.00 7.16 O ATOM 1263 H GLY A1120 -20.928 -10.204 30.491 1.00 0.00 H ATOM 1264 N ASP A1121 -20.022 -13.891 30.448 1.00 7.14 N ATOM 1265 CA ASP A1121 -18.651 -14.390 30.536 1.00 7.93 C ATOM 1266 C ASP A1121 -17.753 -13.707 29.510 1.00 4.75 C ATOM 1267 O ASP A1121 -16.588 -13.380 29.812 1.00 7.29 O ATOM 1268 CB ASP A1121 -18.606 -15.921 30.385 1.00 5.94 C ATOM 1269 CG ASP A1121 -19.391 -16.463 29.177 1.00 9.01 C ATOM 1270 OD1 ASP A1121 -20.006 -15.711 28.397 1.00 10.31 O ATOM 1271 OD2 ASP A1121 -19.407 -17.704 29.033 1.00 13.86 O ATOM 1272 H ASP A1121 -20.803 -14.552 30.261 1.00 0.00 H ATOM 1273 N SER A1122 -18.280 -13.455 28.315 1.00 5.58 N ATOM 1274 HN3 SER A1122 -17.714 -13.927 27.581 1.00 0.00 H ATOM 1275 HN2 SER A1122 -18.281 -12.429 28.147 1.00 0.00 H ATOM 1276 HN1 SER A1122 -19.256 -13.813 28.285 1.00 0.00 H TER 1277 SER A1122 ATOM 1278 N ARG A1123 -19.008 -11.086 27.085 1.00 7.03 N ATOM 1279 CA ARG A1123 -19.683 -9.969 26.445 1.00 4.60 C ATOM 1280 C ARG A1123 -19.721 -8.772 27.380 1.00 6.36 C ATOM 1281 O ARG A1123 -19.852 -8.922 28.595 1.00 6.88 O ATOM 1282 CB ARG A1123 -21.131 -10.317 26.058 1.00 8.99 C ATOM 1283 CG ARG A1123 -21.245 -11.401 25.044 1.00 8.77 C ATOM 1284 CD ARG A1123 -20.712 -10.953 23.689 1.00 12.92 C ATOM 1285 NE ARG A1123 -20.851 -12.019 22.704 1.00 13.71 N ATOM 1286 CZ ARG A1123 -21.886 -12.158 21.880 1.00 16.11 C ATOM 1287 NH1 ARG A1123 -22.883 -11.291 21.885 1.00 16.46 N ATOM 1288 NH2 ARG A1123 -21.919 -13.173 21.036 1.00 17.39 N ATOM 1289 HE ARG A1123 -20.086 -12.721 22.641 1.00 0.00 H ATOM 1290 HH12 ARG A1123 -23.684 -11.416 21.234 1.00 0.00 H ATOM 1291 HH11 ARG A1123 -22.867 -10.484 22.540 1.00 0.00 H ATOM 1292 HH22 ARG A1123 -22.726 -13.286 20.390 1.00 0.00 H ATOM 1293 HH21 ARG A1123 -21.138 -13.859 21.017 1.00 0.00 H ATOM 1294 H ARG A1123 -19.275 -11.342 28.057 1.00 0.00 H ATOM 1295 N GLY A1124 -19.648 -7.585 26.795 1.00 5.14 N ATOM 1296 CA GLY A1124 -19.876 -6.357 27.543 1.00 6.87 C ATOM 1297 C GLY A1124 -20.505 -5.313 26.649 1.00 10.31 C ATOM 1298 O GLY A1124 -20.248 -5.274 25.445 1.00 7.97 O ATOM 1299 H GLY A1124 -19.423 -7.530 25.781 1.00 0.00 H ATOM 1300 N SER A1125 -21.333 -4.451 27.241 1.00 8.92 N ATOM 1301 CA SER A1125 -22.016 -3.416 26.473 1.00 6.93 C ATOM 1302 C SER A1125 -21.266 -2.096 26.593 1.00 7.59 C ATOM 1303 O SER A1125 -20.741 -1.760 27.654 1.00 7.46 O ATOM 1304 CB SER A1125 -23.465 -3.247 26.929 1.00 11.41 C ATOM 1305 OG SER A1125 -23.526 -2.950 28.301 1.00 9.67 O ATOM 1306 HG SER A1125 -23.036 -2.108 28.477 1.00 0.00 H ATOM 1307 H SER A1125 -21.494 -4.518 28.266 1.00 0.00 H ATOM 1308 N LEU A1126 -21.202 -1.359 25.491 1.00 7.41 N ATOM 1309 CA LEU A1126 -20.649 -0.011 25.529 1.00 7.54 C ATOM 1310 C LEU A1126 -21.649 0.912 26.186 1.00 6.45 C ATOM 1311 O LEU A1126 -22.837 0.901 25.849 1.00 8.84 O ATOM 1312 CB LEU A1126 -20.332 0.507 24.124 1.00 10.57 C ATOM 1313 CG LEU A1126 -18.999 0.093 23.513 1.00 17.01 C ATOM 1314 CD1 LEU A1126 -18.988 -1.355 23.306 1.00 13.81 C ATOM 1315 CD2 LEU A1126 -18.778 0.818 22.185 1.00 16.10 C ATOM 1316 H LEU A1126 -21.550 -1.747 24.591 1.00 0.00 H ATOM 1317 N LEU A1127 -21.185 1.687 27.165 1.00 10.39 N ATOM 1318 CA LEU A1127 -22.091 2.648 27.770 1.00 11.30 C ATOM 1319 C LEU A1127 -22.527 3.679 26.748 1.00 12.07 C ATOM 1320 O LEU A1127 -23.662 4.170 26.797 1.00 11.48 O ATOM 1321 CB LEU A1127 -21.420 3.309 28.966 1.00 13.41 C ATOM 1322 CG LEU A1127 -21.539 2.510 30.274 1.00 12.34 C ATOM 1323 CD1 LEU A1127 -21.015 1.113 30.145 1.00 17.25 C ATOM 1324 CD2 LEU A1127 -20.844 3.231 31.449 1.00 26.27 C ATOM 1325 H LEU A1127 -20.200 1.606 27.488 1.00 0.00 H ATOM 1326 N SER A1128 -21.638 4.022 25.820 1.00 11.49 N ATOM 1327 CA SER A1128 -21.940 4.932 24.718 1.00 17.58 C ATOM 1328 C SER A1128 -21.550 4.214 23.435 1.00 15.04 C ATOM 1329 O SER A1128 -20.353 4.122 23.114 1.00 17.17 O ATOM 1330 CB SER A1128 -21.188 6.251 24.850 1.00 19.05 C ATOM 1331 OG SER A1128 -21.400 6.832 26.122 1.00 26.31 O ATOM 1332 HG SER A1128 -21.079 6.212 26.824 1.00 0.00 H ATOM 1333 H SER A1128 -20.680 3.622 25.882 1.00 0.00 H ATOM 1334 N PRO A1129 -22.513 3.675 22.704 1.00 15.49 N ATOM 1335 CA PRO A1129 -22.190 2.959 21.467 1.00 13.68 C ATOM 1336 C PRO A1129 -21.447 3.836 20.470 1.00 13.23 C ATOM 1337 O PRO A1129 -21.616 5.056 20.438 1.00 12.38 O ATOM 1338 CB PRO A1129 -23.563 2.553 20.932 1.00 13.88 C ATOM 1339 CG PRO A1129 -24.417 2.447 22.178 1.00 20.04 C ATOM 1340 CD PRO A1129 -23.939 3.542 23.067 1.00 18.61 C ATOM 1341 N ARG A1130 -20.629 3.185 19.645 1.00 13.93 N ATOM 1342 CA ARG A1130 -19.767 3.831 18.666 1.00 14.14 C ATOM 1343 C ARG A1130 -19.875 3.079 17.347 1.00 10.60 C ATOM 1344 O ARG A1130 -20.159 1.873 17.330 1.00 12.18 O ATOM 1345 CB ARG A1130 -18.287 3.849 19.102 1.00 17.90 C ATOM 1346 CG ARG A1130 -17.974 4.253 20.544 1.00 23.12 C ATOM 1347 CD ARG A1130 -18.377 5.674 20.865 1.00 38.64 C ATOM 1348 NE ARG A1130 -17.375 6.361 21.676 1.00 40.08 N ATOM 1349 CZ ARG A1130 -17.106 6.105 22.960 1.00 50.56 C ATOM 1350 NH1 ARG A1130 -17.745 5.150 23.644 1.00 33.73 N ATOM 1351 NH2 ARG A1130 -16.169 6.817 23.570 1.00 41.49 N ATOM 1352 HE ARG A1130 -16.824 7.113 21.215 1.00 0.00 H ATOM 1353 HH12 ARG A1130 -17.509 4.979 24.642 1.00 0.00 H ATOM 1354 HH11 ARG A1130 -18.478 4.578 23.178 1.00 0.00 H ATOM 1355 HH22 ARG A1130 -15.944 6.634 24.569 1.00 0.00 H ATOM 1356 HH21 ARG A1130 -15.658 7.559 23.050 1.00 0.00 H ATOM 1357 H ARG A1130 -20.604 2.147 19.704 1.00 0.00 H ATOM 1358 N PRO A1131 -19.673 3.762 16.220 1.00 10.06 N ATOM 1359 CA PRO A1131 -19.603 3.032 14.948 1.00 11.70 C ATOM 1360 C PRO A1131 -18.457 2.037 14.985 1.00 8.55 C ATOM 1361 O PRO A1131 -17.466 2.237 15.688 1.00 10.25 O ATOM 1362 CB PRO A1131 -19.368 4.129 13.903 1.00 13.09 C ATOM 1363 CG PRO A1131 -19.159 5.390 14.644 1.00 24.14 C ATOM 1364 CD PRO A1131 -19.641 5.222 16.048 1.00 16.44 C ATOM 1365 N ILE A1132 -18.575 0.952 14.215 1.00 11.14 N ATOM 1366 CA ILE A1132 -17.520 -0.055 14.323 1.00 11.48 C ATOM 1367 C ILE A1132 -16.183 0.492 13.836 1.00 8.96 C ATOM 1368 O ILE A1132 -15.136 -0.031 14.222 1.00 10.01 O ATOM 1369 CB ILE A1132 -17.862 -1.376 13.589 1.00 21.14 C ATOM 1370 CG1 ILE A1132 -18.155 -1.147 12.111 1.00 18.59 C ATOM 1371 CG2 ILE A1132 -19.014 -2.104 14.308 1.00 24.49 C ATOM 1372 CD1 ILE A1132 -18.307 -2.430 11.339 1.00 27.34 C ATOM 1373 H ILE A1132 -19.380 0.829 13.568 1.00 0.00 H ATOM 1374 N SER A1133 -16.198 1.535 12.991 1.00 9.43 N ATOM 1375 CA SER A1133 -14.971 2.206 12.555 1.00 11.56 C ATOM 1376 C SER A1133 -14.088 2.608 13.730 1.00 10.91 C ATOM 1377 O SER A1133 -12.853 2.635 13.613 1.00 8.39 O ATOM 1378 CB SER A1133 -15.342 3.457 11.758 1.00 9.11 C ATOM 1379 OG SER A1133 -16.386 3.178 10.840 1.00 12.03 O ATOM 1380 HG SER A1133 -16.609 4.000 10.336 1.00 0.00 H ATOM 1381 H SER A1133 -17.112 1.878 12.634 1.00 0.00 H ATOM 1382 N TYR A1134 -14.715 2.978 14.846 1.00 7.74 N ATOM 1383 CA TYR A1134 -14.026 3.445 16.037 1.00 10.58 C ATOM 1384 C TYR A1134 -13.255 2.319 16.708 1.00 8.98 C ATOM 1385 O TYR A1134 -12.252 2.562 17.386 1.00 9.76 O ATOM 1386 CB TYR A1134 -15.086 4.012 16.972 1.00 10.87 C ATOM 1387 CG TYR A1134 -14.626 4.846 18.137 1.00 15.84 C ATOM 1388 CD1 TYR A1134 -14.330 6.189 17.961 1.00 20.13 C ATOM 1389 CD2 TYR A1134 -14.566 4.319 19.431 1.00 20.03 C ATOM 1390 CE1 TYR A1134 -13.941 6.985 19.020 1.00 24.20 C ATOM 1391 CE2 TYR A1134 -14.170 5.124 20.513 1.00 16.76 C ATOM 1392 CZ TYR A1134 -13.865 6.456 20.292 1.00 14.71 C ATOM 1393 OH TYR A1134 -13.475 7.270 21.343 1.00 22.81 O ATOM 1394 HH TYR A1134 -12.652 6.904 21.754 1.00 0.00 H ATOM 1395 H TYR A1134 -15.754 2.930 14.866 1.00 0.00 H ATOM 1396 N LEU A1135 -13.728 1.091 16.542 1.00 6.73 N ATOM 1397 CA LEU A1135 -13.140 -0.072 17.188 1.00 4.78 C ATOM 1398 C LEU A1135 -12.256 -0.871 16.260 1.00 7.17 C ATOM 1399 O LEU A1135 -11.482 -1.712 16.741 1.00 6.37 O ATOM 1400 CB LEU A1135 -14.242 -0.996 17.715 1.00 7.10 C ATOM 1401 CG LEU A1135 -15.160 -0.346 18.740 1.00 7.74 C ATOM 1402 CD1 LEU A1135 -16.203 -1.349 19.182 1.00 11.31 C ATOM 1403 CD2 LEU A1135 -14.400 0.224 19.933 1.00 11.06 C ATOM 1404 H LEU A1135 -14.553 0.954 15.924 1.00 0.00 H ATOM 1405 N LYS A1136 -12.365 -0.643 14.950 1.00 7.15 N ATOM 1406 CA LYS A1136 -11.591 -1.413 13.992 1.00 6.65 C ATOM 1407 C LYS A1136 -10.108 -1.232 14.273 1.00 6.58 C ATOM 1408 O LYS A1136 -9.633 -0.112 14.479 1.00 7.80 O ATOM 1409 CB LYS A1136 -11.939 -0.979 12.555 1.00 9.29 C ATOM 1410 CG LYS A1136 -11.288 -1.805 11.467 1.00 10.15 C ATOM 1411 CD LYS A1136 -11.634 -1.280 10.072 1.00 9.23 C ATOM 1412 CE LYS A1136 -11.014 -2.129 8.968 1.00 12.96 C ATOM 1413 NZ LYS A1136 -9.543 -2.011 8.956 1.00 13.25 N ATOM 1414 HZ1 LYS A1136 -9.277 -1.018 8.797 1.00 0.00 H ATOM 1415 HZ2 LYS A1136 -9.163 -2.330 9.870 1.00 0.00 H ATOM 1416 HZ3 LYS A1136 -9.155 -2.602 8.193 1.00 0.00 H ATOM 1417 H LYS A1136 -13.013 0.096 14.610 1.00 0.00 H ATOM 1418 N GLY A1137 -9.371 -2.342 14.274 1.00 5.32 N ATOM 1419 CA GLY A1137 -7.946 -2.320 14.546 1.00 8.21 C ATOM 1420 C GLY A1137 -7.580 -2.416 16.013 1.00 7.58 C ATOM 1421 O GLY A1137 -6.407 -2.228 16.355 1.00 6.74 O ATOM 1422 H GLY A1137 -9.832 -3.253 14.074 1.00 0.00 H ATOM 1423 N SER A1138 -8.548 -2.680 16.892 1.00 6.16 N ATOM 1424 CA SER A1138 -8.302 -2.754 18.324 1.00 4.75 C ATOM 1425 C SER A1138 -8.419 -4.166 18.878 1.00 7.82 C ATOM 1426 O SER A1138 -8.210 -4.355 20.081 1.00 5.74 O ATOM 1427 CB SER A1138 -9.264 -1.825 19.079 1.00 6.92 C ATOM 1428 OG SER A1138 -8.912 -0.457 18.926 1.00 6.23 O ATOM 1429 HG SER A1138 -8.938 -0.216 17.966 1.00 0.00 H ATOM 1430 H SER A1138 -9.514 -2.839 16.541 1.00 0.00 H ATOM 1431 N SER A1139 -8.724 -5.164 18.040 1.00 7.62 N ATOM 1432 CA SER A1139 -8.664 -6.551 18.483 1.00 4.79 C ATOM 1433 C SER A1139 -7.284 -6.825 19.055 1.00 5.56 C ATOM 1434 O SER A1139 -6.286 -6.275 18.588 1.00 5.82 O ATOM 1435 CB SER A1139 -8.977 -7.531 17.345 1.00 6.26 C ATOM 1436 OG SER A1139 -7.974 -7.582 16.342 1.00 5.86 O ATOM 1437 HG SER A1139 -7.868 -6.685 15.937 1.00 0.00 H ATOM 1438 H SER A1139 -9.007 -4.947 17.063 1.00 0.00 H ATOM 1439 N GLY A1140 -7.240 -7.658 20.099 1.00 4.39 N ATOM 1440 CA GLY A1140 -6.037 -7.884 20.846 1.00 5.22 C ATOM 1441 C GLY A1140 -5.806 -6.922 21.992 1.00 5.77 C ATOM 1442 O GLY A1140 -4.913 -7.169 22.808 1.00 6.93 O ATOM 1443 H GLY A1140 -8.107 -8.159 20.379 1.00 0.00 H ATOM 1444 N GLY A1141 -6.554 -5.831 22.068 1.00 5.69 N ATOM 1445 CA GLY A1141 -6.447 -4.901 23.168 1.00 5.28 C ATOM 1446 C GLY A1141 -7.156 -5.397 24.412 1.00 5.08 C ATOM 1447 O GLY A1141 -7.904 -6.380 24.401 1.00 9.16 O ATOM 1448 H GLY A1141 -7.241 -5.638 21.311 1.00 0.00 H ATOM 1449 N PRO A1142 -6.905 -4.720 25.531 1.00 5.58 N ATOM 1450 CA PRO A1142 -7.430 -5.187 26.812 1.00 7.71 C ATOM 1451 C PRO A1142 -8.775 -4.592 27.183 1.00 5.28 C ATOM 1452 O PRO A1142 -9.106 -3.448 26.850 1.00 7.01 O ATOM 1453 CB PRO A1142 -6.365 -4.689 27.797 1.00 8.53 C ATOM 1454 CG PRO A1142 -5.974 -3.413 27.243 1.00 10.28 C ATOM 1455 CD PRO A1142 -5.977 -3.601 25.730 1.00 7.73 C ATOM 1456 N LEU A1143 -9.527 -5.391 27.938 1.00 5.41 N ATOM 1457 CA LEU A1143 -10.545 -4.892 28.843 1.00 8.03 C ATOM 1458 C LEU A1143 -9.980 -4.992 30.249 1.00 5.38 C ATOM 1459 O LEU A1143 -9.410 -6.026 30.625 1.00 7.29 O ATOM 1460 CB LEU A1143 -11.857 -5.676 28.728 1.00 10.68 C ATOM 1461 CG LEU A1143 -12.652 -5.400 27.448 1.00 11.10 C ATOM 1462 CD1 LEU A1143 -12.183 -6.293 26.314 1.00 11.92 C ATOM 1463 CD2 LEU A1143 -14.143 -5.558 27.716 1.00 21.18 C ATOM 1464 H LEU A1143 -9.378 -6.418 27.876 1.00 0.00 H ATOM 1465 N LEU A1144 -10.058 -3.881 30.978 1.00 7.45 N ATOM 1466 CA LEU A1144 -9.495 -3.725 32.303 1.00 7.90 C ATOM 1467 C LEU A1144 -10.595 -3.463 33.323 1.00 10.06 C ATOM 1468 O LEU A1144 -11.653 -2.912 32.993 1.00 9.46 O ATOM 1469 CB LEU A1144 -8.504 -2.562 32.329 1.00 5.17 C ATOM 1470 CG LEU A1144 -7.388 -2.525 31.271 1.00 11.23 C ATOM 1471 CD1 LEU A1144 -6.629 -1.227 31.336 1.00 26.50 C ATOM 1472 CD2 LEU A1144 -6.434 -3.669 31.457 1.00 13.58 C ATOM 1473 H LEU A1144 -10.559 -3.067 30.567 1.00 0.00 H ATOM 1474 N CYS A1145 -10.330 -3.847 34.567 1.00 7.63 N ATOM 1475 CA CYS A1145 -11.204 -3.510 35.685 1.00 8.64 C ATOM 1476 C CYS A1145 -10.844 -2.130 36.221 1.00 9.80 C ATOM 1477 O CYS A1145 -9.870 -1.504 35.781 1.00 8.56 O ATOM 1478 CB CYS A1145 -11.085 -4.583 36.765 1.00 8.33 C ATOM 1479 SG CYS A1145 -9.629 -4.380 37.789 1.00 8.73 S ATOM 1480 H CYS A1145 -9.472 -4.406 34.749 1.00 0.00 H ATOM 1481 N PRO A1146 -11.627 -1.608 37.176 1.00 9.10 N ATOM 1482 CA PRO A1146 -11.333 -0.271 37.719 1.00 9.40 C ATOM 1483 C PRO A1146 -9.936 -0.133 38.302 1.00 9.55 C ATOM 1484 O PRO A1146 -9.404 0.984 38.363 1.00 15.80 O ATOM 1485 CB PRO A1146 -12.406 -0.101 38.803 1.00 9.70 C ATOM 1486 CG PRO A1146 -13.531 -0.965 38.367 1.00 8.78 C ATOM 1487 CD PRO A1146 -12.873 -2.159 37.731 1.00 7.56 C ATOM 1488 N ALA A1147 -9.334 -1.228 38.754 1.00 9.42 N ATOM 1489 CA ALA A1147 -7.990 -1.223 39.315 1.00 13.15 C ATOM 1490 C ALA A1147 -6.906 -1.459 38.271 1.00 12.66 C ATOM 1491 O ALA A1147 -5.726 -1.509 38.622 1.00 12.01 O ATOM 1492 CB ALA A1147 -7.873 -2.279 40.408 1.00 12.68 C ATOM 1493 H ALA A1147 -9.847 -2.131 38.705 1.00 0.00 H ATOM 1494 N GLY A1148 -7.258 -1.614 37.007 1.00 11.60 N ATOM 1495 CA GLY A1148 -6.242 -1.794 35.993 1.00 11.38 C ATOM 1496 C GLY A1148 -5.801 -3.222 35.781 1.00 13.69 C ATOM 1497 O GLY A1148 -4.789 -3.446 35.105 1.00 11.03 O ATOM 1498 H GLY A1148 -8.264 -1.607 36.742 1.00 0.00 H ATOM 1499 N HIS A1149 -6.515 -4.193 36.339 1.00 8.00 N ATOM 1500 CA HIS A1149 -6.233 -5.592 36.054 1.00 6.54 C ATOM 1501 C HIS A1149 -6.798 -5.965 34.686 1.00 7.75 C ATOM 1502 O HIS A1149 -7.787 -5.394 34.234 1.00 7.91 O ATOM 1503 CB HIS A1149 -6.869 -6.518 37.080 1.00 8.26 C ATOM 1504 CG HIS A1149 -6.539 -6.209 38.502 1.00 11.49 C ATOM 1505 ND1 HIS A1149 -7.469 -6.342 39.512 1.00 12.82 N ATOM 1506 CD2 HIS A1149 -5.380 -5.840 39.097 1.00 15.20 C ATOM 1507 CE1 HIS A1149 -6.903 -6.036 40.666 1.00 12.30 C ATOM 1508 NE2 HIS A1149 -5.634 -5.742 40.444 1.00 16.72 N ATOM 1509 H HIS A1149 -7.288 -3.950 36.990 1.00 0.00 H ATOM 1510 N ALA A1150 -6.206 -6.982 34.063 1.00 11.14 N ATOM 1511 CA ALA A1150 -6.722 -7.501 32.796 1.00 8.29 C ATOM 1512 C ALA A1150 -7.930 -8.399 33.038 1.00 5.72 C ATOM 1513 O ALA A1150 -7.856 -9.361 33.805 1.00 5.56 O ATOM 1514 CB ALA A1150 -5.641 -8.288 32.050 1.00 8.35 C ATOM 1515 H ALA A1150 -5.360 -7.416 34.485 1.00 0.00 H ATOM 1516 N VAL A1151 -9.037 -8.077 32.377 1.00 5.97 N ATOM 1517 CA VAL A1151 -10.233 -8.898 32.414 1.00 5.39 C ATOM 1518 C VAL A1151 -10.435 -9.715 31.140 1.00 7.96 C ATOM 1519 O VAL A1151 -11.011 -10.814 31.205 1.00 7.63 O ATOM 1520 CB VAL A1151 -11.449 -7.993 32.689 1.00 6.88 C ATOM 1521 CG1 VAL A1151 -12.766 -8.773 32.610 1.00 8.33 C ATOM 1522 CG2 VAL A1151 -11.273 -7.304 34.031 1.00 6.48 C ATOM 1523 H VAL A1151 -9.047 -7.204 31.812 1.00 0.00 H ATOM 1524 N GLY A1152 -9.983 -9.229 29.988 1.00 6.54 N ATOM 1525 CA GLY A1152 -10.073 -10.007 28.767 1.00 10.20 C ATOM 1526 C GLY A1152 -9.358 -9.312 27.630 1.00 6.71 C ATOM 1527 O GLY A1152 -8.801 -8.219 27.789 1.00 6.63 O ATOM 1528 H GLY A1152 -9.560 -8.279 29.962 1.00 0.00 H ATOM 1529 N ILE A1153 -9.405 -9.970 26.474 1.00 5.70 N ATOM 1530 CA ILE A1153 -8.806 -9.502 25.229 1.00 7.96 C ATOM 1531 C ILE A1153 -9.927 -9.258 24.217 1.00 7.39 C ATOM 1532 O ILE A1153 -10.722 -10.165 23.929 1.00 6.72 O ATOM 1533 CB ILE A1153 -7.807 -10.532 24.679 1.00 7.97 C ATOM 1534 CG1 ILE A1153 -6.637 -10.754 25.634 1.00 10.02 C ATOM 1535 CG2 ILE A1153 -7.327 -10.140 23.273 1.00 8.28 C ATOM 1536 CD1 ILE A1153 -5.676 -9.620 25.709 1.00 9.47 C ATOM 1537 H ILE A1153 -9.904 -10.882 26.457 1.00 0.00 H ATOM 1538 N PHE A1154 -9.993 -8.039 23.680 1.00 5.58 N ATOM 1539 CA PHE A1154 -11.028 -7.676 22.706 1.00 7.06 C ATOM 1540 C PHE A1154 -10.927 -8.548 21.456 1.00 7.58 C ATOM 1541 O PHE A1154 -9.878 -8.607 20.817 1.00 6.27 O ATOM 1542 CB PHE A1154 -10.860 -6.194 22.357 1.00 7.38 C ATOM 1543 CG PHE A1154 -11.893 -5.628 21.426 1.00 6.14 C ATOM 1544 CD1 PHE A1154 -13.181 -6.156 21.317 1.00 6.56 C ATOM 1545 CD2 PHE A1154 -11.566 -4.525 20.653 1.00 6.25 C ATOM 1546 CE1 PHE A1154 -14.104 -5.578 20.442 1.00 6.08 C ATOM 1547 CE2 PHE A1154 -12.482 -3.955 19.797 1.00 8.30 C ATOM 1548 CZ PHE A1154 -13.754 -4.483 19.683 1.00 4.58 C ATOM 1549 H PHE A1154 -9.290 -7.325 23.960 1.00 0.00 H ATOM 1550 N ARG A1155 -12.037 -9.195 21.081 1.00 5.63 N ATOM 1551 CA ARG A1155 -12.058 -10.159 19.985 1.00 6.20 C ATOM 1552 C ARG A1155 -12.933 -9.723 18.816 1.00 4.97 C ATOM 1553 O ARG A1155 -12.474 -9.744 17.670 1.00 5.49 O ATOM 1554 CB ARG A1155 -12.524 -11.520 20.506 1.00 5.13 C ATOM 1555 CG ARG A1155 -12.678 -12.571 19.426 1.00 4.36 C ATOM 1556 CD ARG A1155 -12.762 -13.961 20.037 1.00 8.57 C ATOM 1557 NE ARG A1155 -13.895 -14.080 20.962 1.00 9.83 N ATOM 1558 CZ ARG A1155 -14.042 -15.061 21.843 1.00 9.89 C ATOM 1559 NH1 ARG A1155 -15.093 -15.089 22.643 1.00 9.17 N ATOM 1560 NH2 ARG A1155 -13.146 -16.032 21.928 1.00 8.75 N ATOM 1561 HE ARG A1155 -14.632 -13.347 20.924 1.00 0.00 H ATOM 1562 HH12 ARG A1155 -15.202 -15.861 23.331 1.00 0.00 H ATOM 1563 HH11 ARG A1155 -15.811 -14.339 22.584 1.00 0.00 H ATOM 1564 HH22 ARG A1155 -13.271 -16.796 22.622 1.00 0.00 H ATOM 1565 HH21 ARG A1155 -12.317 -16.031 21.300 1.00 0.00 H ATOM 1566 H ARG A1155 -12.922 -9.003 21.592 1.00 0.00 H ATOM 1567 N ALA A1156 -14.175 -9.312 19.068 1.00 5.86 N ATOM 1568 CA ALA A1156 -15.105 -8.987 17.997 1.00 7.82 C ATOM 1569 C ALA A1156 -16.110 -7.961 18.503 1.00 9.01 C ATOM 1570 O ALA A1156 -16.390 -7.886 19.705 1.00 6.51 O ATOM 1571 CB ALA A1156 -15.813 -10.253 17.491 1.00 7.24 C ATOM 1572 H ALA A1156 -14.488 -9.221 20.056 1.00 0.00 H ATOM 1573 N ALA A1157 -16.649 -7.162 17.581 1.00 8.82 N ATOM 1574 CA ALA A1157 -17.694 -6.196 17.905 1.00 8.11 C ATOM 1575 C ALA A1157 -19.070 -6.784 17.636 1.00 8.59 C ATOM 1576 O ALA A1157 -19.293 -7.448 16.615 1.00 8.67 O ATOM 1577 CB ALA A1157 -17.530 -4.907 17.090 1.00 8.54 C ATOM 1578 H ALA A1157 -16.314 -7.230 16.599 1.00 0.00 H ATOM 1579 N VAL A1158 -20.006 -6.481 18.530 1.00 8.31 N ATOM 1580 CA VAL A1158 -21.399 -6.881 18.378 1.00 10.19 C ATOM 1581 C VAL A1158 -22.107 -5.696 17.751 1.00 12.67 C ATOM 1582 O VAL A1158 -22.297 -4.659 18.392 1.00 10.70 O ATOM 1583 CB VAL A1158 -22.042 -7.262 19.712 1.00 9.82 C ATOM 1584 CG1 VAL A1158 -23.467 -7.800 19.469 1.00 16.18 C ATOM 1585 CG2 VAL A1158 -21.172 -8.265 20.449 1.00 16.37 C ATOM 1586 H VAL A1158 -19.733 -5.936 19.373 1.00 0.00 H ATOM 1587 N CYS A1159 -22.483 -5.851 16.497 1.00 12.15 N ATOM 1588 CA CYS A1159 -22.768 -4.728 15.637 1.00 13.93 C ATOM 1589 C CYS A1159 -24.194 -4.807 15.115 1.00 17.02 C ATOM 1590 O CYS A1159 -24.651 -5.876 14.713 1.00 20.04 O ATOM 1591 CB CYS A1159 -21.777 -4.721 14.485 1.00 19.92 C ATOM 1592 SG CYS A1159 -22.185 -3.579 13.236 1.00 43.20 S ATOM 1593 H CYS A1159 -22.577 -6.814 16.115 1.00 0.00 H ATOM 1594 N THR A1160 -24.885 -3.670 15.149 1.00 17.62 N ATOM 1595 CA THR A1160 -26.210 -3.513 14.558 1.00 23.03 C ATOM 1596 C THR A1160 -26.186 -2.296 13.642 1.00 11.75 C ATOM 1597 O THR A1160 -25.958 -1.166 14.100 1.00 18.00 O ATOM 1598 CB THR A1160 -27.284 -3.363 15.641 1.00 28.75 C ATOM 1599 OG1 THR A1160 -27.331 -4.557 16.429 1.00 36.92 O ATOM 1600 CG2 THR A1160 -28.636 -3.127 15.025 1.00 32.09 C ATOM 1601 HG1 THR A1160 -28.024 -4.462 17.129 1.00 0.00 H ATOM 1602 H THR A1160 -24.457 -2.849 15.623 1.00 0.00 H ATOM 1603 N ARG A1161 -26.402 -2.535 12.353 1.00 23.03 N ATOM 1604 CA ARG A1161 -26.411 -1.465 11.361 1.00 23.50 C ATOM 1605 C ARG A1161 -25.143 -0.625 11.472 1.00 16.39 C ATOM 1606 O ARG A1161 -25.180 0.608 11.420 1.00 23.95 O ATOM 1607 CB ARG A1161 -27.654 -0.590 11.506 1.00 21.72 C ATOM 1608 H ARG A1161 -26.570 -3.513 12.042 1.00 0.00 H ATOM 1609 N GLY A1162 -24.017 -1.306 11.669 1.00 21.55 N ATOM 1610 CA GLY A1162 -22.725 -0.664 11.750 1.00 17.22 C ATOM 1611 C GLY A1162 -22.407 -0.006 13.073 1.00 15.57 C ATOM 1612 O GLY A1162 -21.342 0.612 13.190 1.00 13.83 O ATOM 1613 H GLY A1162 -24.069 -2.340 11.768 1.00 0.00 H ATOM 1614 N VAL A1163 -23.290 -0.095 14.066 1.00 14.57 N ATOM 1615 CA VAL A1163 -23.063 0.519 15.366 1.00 14.08 C ATOM 1616 C VAL A1163 -22.721 -0.596 16.343 1.00 14.64 C ATOM 1617 O VAL A1163 -23.457 -1.585 16.451 1.00 14.09 O ATOM 1618 CB VAL A1163 -24.280 1.334 15.846 1.00 16.63 C ATOM 1619 CG1 VAL A1163 -24.048 1.862 17.268 1.00 18.07 C ATOM 1620 CG2 VAL A1163 -24.539 2.508 14.900 1.00 17.59 C ATOM 1621 H VAL A1163 -24.173 -0.622 13.907 1.00 0.00 H ATOM 1622 N ALA A1164 -21.612 -0.435 17.047 1.00 14.19 N ATOM 1623 CA ALA A1164 -21.182 -1.403 18.048 1.00 11.68 C ATOM 1624 C ALA A1164 -21.852 -1.033 19.368 1.00 8.30 C ATOM 1625 O ALA A1164 -21.518 -0.009 19.971 1.00 12.97 O ATOM 1626 CB ALA A1164 -19.662 -1.399 18.180 1.00 14.74 C ATOM 1627 H ALA A1164 -21.028 0.410 16.881 1.00 0.00 H ATOM 1628 N LYS A1165 -22.817 -1.852 19.800 1.00 7.91 N ATOM 1629 CA LYS A1165 -23.443 -1.662 21.099 1.00 11.58 C ATOM 1630 C LYS A1165 -22.787 -2.501 22.177 1.00 10.83 C ATOM 1631 O LYS A1165 -23.015 -2.257 23.368 1.00 10.36 O ATOM 1632 CB LYS A1165 -24.931 -2.006 21.023 1.00 15.10 C ATOM 1633 CG LYS A1165 -25.669 -1.189 19.967 1.00 24.92 C ATOM 1634 CD LYS A1165 -27.089 -0.821 20.394 1.00 50.54 C ATOM 1635 CE LYS A1165 -27.872 -0.186 19.248 1.00 58.91 C ATOM 1636 NZ LYS A1165 -28.988 -1.066 18.770 1.00 61.13 N ATOM 1637 HZ1 LYS A1165 -28.596 -1.969 18.434 1.00 0.00 H ATOM 1638 HZ2 LYS A1165 -29.648 -1.244 19.554 1.00 0.00 H ATOM 1639 HZ3 LYS A1165 -29.491 -0.594 17.992 1.00 0.00 H ATOM 1640 H LYS A1165 -23.126 -2.640 19.195 1.00 0.00 H ATOM 1641 N ALA A1166 -21.997 -3.489 21.780 1.00 7.52 N ATOM 1642 CA ALA A1166 -21.385 -4.417 22.715 1.00 7.16 C ATOM 1643 C ALA A1166 -20.120 -4.974 22.087 1.00 9.28 C ATOM 1644 O ALA A1166 -19.879 -4.838 20.883 1.00 8.36 O ATOM 1645 CB ALA A1166 -22.340 -5.553 23.082 1.00 9.87 C ATOM 1646 H ALA A1166 -21.809 -3.604 20.764 1.00 0.00 H ATOM 1647 N VAL A1167 -19.317 -5.617 22.921 1.00 7.22 N ATOM 1648 CA VAL A1167 -18.102 -6.264 22.465 1.00 7.15 C ATOM 1649 C VAL A1167 -18.039 -7.694 22.977 1.00 6.60 C ATOM 1650 O VAL A1167 -18.562 -8.032 24.046 1.00 8.72 O ATOM 1651 CB VAL A1167 -16.862 -5.486 22.903 1.00 6.55 C ATOM 1652 CG1 VAL A1167 -16.831 -4.146 22.168 1.00 10.06 C ATOM 1653 CG2 VAL A1167 -16.809 -5.322 24.421 1.00 9.68 C ATOM 1654 H VAL A1167 -19.564 -5.659 23.930 1.00 0.00 H ATOM 1655 N ASP A1168 -17.394 -8.527 22.179 1.00 6.93 N ATOM 1656 CA ASP A1168 -17.038 -9.893 22.521 1.00 5.23 C ATOM 1657 C ASP A1168 -15.553 -9.927 22.859 1.00 5.97 C ATOM 1658 O ASP A1168 -14.739 -9.329 22.141 1.00 6.08 O ATOM 1659 CB ASP A1168 -17.378 -10.795 21.329 1.00 9.08 C ATOM 1660 CG ASP A1168 -16.712 -12.141 21.382 1.00 11.91 C ATOM 1661 OD1 ASP A1168 -16.850 -12.848 22.400 1.00 11.04 O ATOM 1662 OD2 ASP A1168 -16.097 -12.530 20.365 1.00 14.54 O ATOM 1663 H ASP A1168 -17.121 -8.179 21.238 1.00 0.00 H ATOM 1664 N PHE A1169 -15.205 -10.588 23.967 1.00 9.57 N ATOM 1665 CA PHE A1169 -13.820 -10.643 24.418 1.00 5.72 C ATOM 1666 C PHE A1169 -13.488 -12.031 24.945 1.00 6.50 C ATOM 1667 O PHE A1169 -14.367 -12.793 25.359 1.00 7.72 O ATOM 1668 CB PHE A1169 -13.499 -9.590 25.489 1.00 7.96 C ATOM 1669 CG PHE A1169 -14.279 -9.739 26.768 1.00 5.29 C ATOM 1670 CD1 PHE A1169 -13.804 -10.528 27.815 1.00 6.38 C ATOM 1671 CD2 PHE A1169 -15.479 -9.073 26.929 1.00 6.43 C ATOM 1672 CE1 PHE A1169 -14.529 -10.651 28.996 1.00 5.76 C ATOM 1673 CE2 PHE A1169 -16.202 -9.197 28.098 1.00 6.44 C ATOM 1674 CZ PHE A1169 -15.725 -9.997 29.135 1.00 9.88 C ATOM 1675 H PHE A1169 -15.939 -11.074 24.520 1.00 0.00 H ATOM 1676 N ILE A1170 -12.198 -12.351 24.885 1.00 5.59 N ATOM 1677 CA ILE A1170 -11.631 -13.588 25.413 1.00 6.87 C ATOM 1678 C ILE A1170 -11.372 -13.368 26.896 1.00 10.38 C ATOM 1679 O ILE A1170 -10.476 -12.586 27.249 1.00 7.01 O ATOM 1680 CB ILE A1170 -10.327 -13.977 24.695 1.00 6.12 C ATOM 1681 CG1 ILE A1170 -10.527 -13.999 23.165 1.00 8.36 C ATOM 1682 CG2 ILE A1170 -9.851 -15.345 25.187 1.00 8.29 C ATOM 1683 CD1 ILE A1170 -9.274 -13.852 22.365 1.00 11.55 C ATOM 1684 H ILE A1170 -11.551 -11.675 24.432 1.00 0.00 H ATOM 1685 N PRO A1171 -12.098 -14.027 27.794 1.00 9.63 N ATOM 1686 CA PRO A1171 -11.874 -13.788 29.223 1.00 10.54 C ATOM 1687 C PRO A1171 -10.466 -14.192 29.640 1.00 5.80 C ATOM 1688 O PRO A1171 -9.902 -15.172 29.149 1.00 7.17 O ATOM 1689 CB PRO A1171 -12.931 -14.669 29.910 1.00 11.49 C ATOM 1690 CG PRO A1171 -13.818 -15.160 28.852 1.00 11.18 C ATOM 1691 CD PRO A1171 -13.136 -15.046 27.550 1.00 9.66 C ATOM 1692 N VAL A1172 -9.926 -13.469 30.622 1.00 7.77 N ATOM 1693 CA VAL A1172 -8.573 -13.769 31.097 1.00 8.33 C ATOM 1694 C VAL A1172 -8.498 -15.186 31.649 1.00 11.78 C ATOM 1695 O VAL A1172 -7.448 -15.842 31.573 1.00 9.88 O ATOM 1696 CB VAL A1172 -8.143 -12.717 32.136 1.00 11.79 C ATOM 1697 CG1 VAL A1172 -8.930 -12.905 33.423 1.00 12.08 C ATOM 1698 CG2 VAL A1172 -6.618 -12.790 32.393 1.00 13.42 C ATOM 1699 H VAL A1172 -10.466 -12.691 31.051 1.00 0.00 H ATOM 1700 N GLU A1173 -9.612 -15.712 32.159 1.00 9.01 N ATOM 1701 CA GLU A1173 -9.590 -17.088 32.659 1.00 14.78 C ATOM 1702 C GLU A1173 -9.326 -18.074 31.531 1.00 17.42 C ATOM 1703 O GLU A1173 -8.730 -19.142 31.742 1.00 13.24 O ATOM 1704 CB GLU A1173 -10.916 -17.427 33.346 1.00 15.92 C ATOM 1705 CG GLU A1173 -11.141 -16.666 34.652 1.00 18.76 C ATOM 1706 CD GLU A1173 -11.704 -15.274 34.437 1.00 26.68 C ATOM 1707 OE1 GLU A1173 -11.796 -14.524 35.433 1.00 24.87 O ATOM 1708 OE2 GLU A1173 -12.064 -14.934 33.282 1.00 13.20 O ATOM 1709 H GLU A1173 -10.487 -15.151 32.201 1.00 0.00 H ATOM 1710 N SER A1174 -9.810 -17.756 30.341 1.00 10.32 N ATOM 1711 CA SER A1174 -9.570 -18.603 29.189 1.00 15.56 C ATOM 1712 C SER A1174 -8.102 -18.567 28.785 1.00 14.91 C ATOM 1713 O SER A1174 -7.528 -19.601 28.411 1.00 14.82 O ATOM 1714 CB SER A1174 -10.483 -18.150 28.047 1.00 14.82 C ATOM 1715 OG SER A1174 -10.299 -18.965 26.935 1.00 23.90 O ATOM 1716 HG SER A1174 -10.894 -18.663 26.204 1.00 0.00 H ATOM 1717 H SER A1174 -10.370 -16.887 30.231 1.00 0.00 H ATOM 1718 N LEU A1175 -7.475 -17.389 28.850 1.00 15.45 N ATOM 1719 CA LEU A1175 -6.029 -17.312 28.666 1.00 14.62 C ATOM 1720 C LEU A1175 -5.327 -18.208 29.664 1.00 15.29 C ATOM 1721 O LEU A1175 -4.417 -18.968 29.305 1.00 16.70 O ATOM 1722 CB LEU A1175 -5.528 -15.874 28.833 1.00 13.23 C ATOM 1723 CG LEU A1175 -5.626 -14.923 27.637 1.00 14.70 C ATOM 1724 CD1 LEU A1175 -7.017 -14.863 27.111 1.00 13.92 C ATOM 1725 CD2 LEU A1175 -5.163 -13.545 28.048 1.00 11.84 C ATOM 1726 H LEU A1175 -8.020 -16.522 29.033 1.00 0.00 H ATOM 1727 N GLU A1176 -5.755 -18.140 30.929 1.00 14.13 N ATOM 1728 CA GLU A1176 -5.089 -18.893 31.987 1.00 14.78 C ATOM 1729 C GLU A1176 -5.261 -20.390 31.782 1.00 17.68 C ATOM 1730 O GLU A1176 -4.322 -21.162 32.003 1.00 26.43 O ATOM 1731 CB GLU A1176 -5.613 -18.448 33.353 1.00 18.11 C ATOM 1732 CG GLU A1176 -5.080 -17.078 33.799 1.00 21.44 C ATOM 1733 CD GLU A1176 -5.710 -16.548 35.076 1.00 33.94 C ATOM 1734 OE1 GLU A1176 -6.948 -16.411 35.134 1.00 45.46 O ATOM 1735 OE2 GLU A1176 -4.960 -16.242 36.023 1.00 48.21 O ATOM 1736 H GLU A1176 -6.574 -17.542 31.162 1.00 0.00 H ATOM 1737 N THR A1177 -6.433 -20.825 31.322 1.00 17.10 N ATOM 1738 CA THR A1177 -6.593 -22.232 30.966 1.00 23.24 C ATOM 1739 C THR A1177 -5.663 -22.610 29.819 1.00 30.60 C ATOM 1740 O THR A1177 -4.967 -23.631 29.883 1.00 20.78 O ATOM 1741 CB THR A1177 -8.046 -22.526 30.601 1.00 27.62 C ATOM 1742 OG1 THR A1177 -8.874 -22.370 31.763 1.00 29.28 O ATOM 1743 CG2 THR A1177 -8.194 -23.945 30.078 1.00 27.70 C ATOM 1744 HG1 THR A1177 -8.799 -21.441 32.098 1.00 0.00 H ATOM 1745 H THR A1177 -7.230 -20.166 31.217 1.00 0.00 H ATOM 1746 N THR A1178 -5.638 -21.797 28.754 1.00 26.59 N ATOM 1747 CA THR A1178 -4.722 -22.056 27.643 1.00 19.29 C ATOM 1748 C THR A1178 -3.289 -22.205 28.144 1.00 20.56 C ATOM 1749 O THR A1178 -2.529 -23.041 27.641 1.00 22.39 O ATOM 1750 CB THR A1178 -4.831 -20.941 26.594 1.00 22.90 C ATOM 1751 OG1 THR A1178 -6.040 -21.105 25.826 1.00 21.58 O ATOM 1752 CG2 THR A1178 -3.653 -20.958 25.622 1.00 17.90 C ATOM 1753 HG1 THR A1178 -6.023 -21.983 25.369 1.00 0.00 H ATOM 1754 H THR A1178 -6.275 -20.976 28.717 1.00 0.00 H ATOM 1755 N MET A1179 -2.902 -21.417 29.145 1.00 18.38 N ATOM 1756 CA MET A1179 -1.550 -21.507 29.674 1.00 15.82 C ATOM 1757 C MET A1179 -1.279 -22.836 30.359 1.00 32.02 C ATOM 1758 O MET A1179 -0.111 -23.163 30.591 1.00 18.60 O ATOM 1759 CB MET A1179 -1.285 -20.368 30.653 1.00 20.00 C ATOM 1760 CG MET A1179 -1.273 -18.978 29.983 1.00 14.83 C ATOM 1761 SD MET A1179 -0.958 -17.626 31.123 1.00 18.38 S ATOM 1762 CE MET A1179 0.791 -17.828 31.445 1.00 29.72 C ATOM 1763 H MET A1179 -3.571 -20.732 29.552 1.00 0.00 H ATOM 1764 N ARG A1180 -2.316 -23.598 30.689 1.00 31.27 N ATOM 1765 CA ARG A1180 -2.155 -24.908 31.309 1.00 32.18 C ATOM 1766 C ARG A1180 -2.530 -26.005 30.310 1.00 26.67 C ATOM 1767 O ARG A1180 -2.269 -27.182 30.546 1.00 47.26 O ATOM 1768 CB ARG A1180 -3.017 -25.007 32.571 1.00 28.57 C ATOM 1769 H ARG A1180 -3.277 -23.248 30.498 1.00 0.00 H TER 1770 ARG A1180 HETATM 1771 C UNK A 1 -3.769 -3.891 13.147 1.00 6.95 C HETATM 1772 O UNK A 1 -4.970 -3.765 12.899 1.00 7.91 O HETATM 1773 C UNK A 2 -18.060 -11.795 26.472 1.00 8.63 C HETATM 1774 O UNK A 2 -17.644 -11.498 25.343 1.00 7.80 O HETATM 1775 ZN ZN A 1 -9.535 -6.360 39.015 1.00 12.32 ZN HETATM 1776 O HOH 2 1.085 -22.353 32.319 1.00 40.70 O HETATM 1777 O HOH 3 -2.584 14.221 36.299 1.00 49.17 O HETATM 1778 O HOH 4 -1.201 -13.933 9.147 1.00 33.07 O HETATM 1779 O HOH 5 16.272 -8.005 28.016 1.00 30.18 O HETATM 1780 O HOH 6 -13.352 -12.704 35.427 1.00 24.62 O HETATM 1781 O HOH 7 -2.906 -16.154 37.379 1.00 32.95 O HETATM 1782 O HOH 8 8.336 -28.518 -5.632 1.00 34.67 O HETATM 1783 O HOH 9 -4.935 10.446 23.851 1.00 23.94 O HETATM 1784 O HOH 10 -8.944 -10.364 8.786 1.00 29.94 O HETATM 1785 O HOH 11 6.916 4.084 27.205 1.00 30.31 O HETATM 1786 O HOH 12 -24.102 -0.531 28.790 1.00 19.97 O HETATM 1787 O HOH 13 -18.954 -14.030 23.301 1.00 15.52 O HETATM 1788 O HOH 14 9.595 -0.336 17.420 1.00 30.72 O HETATM 1789 O HOH 15 -23.376 6.597 21.575 1.00 37.39 O HETATM 1790 O HOH 16 9.087 -15.056 8.046 1.00 30.44 O HETATM 1791 O HOH 17 9.619 -2.506 15.684 1.00 17.42 O HETATM 1792 O HOH 18 3.441 -21.760 15.577 1.00 12.34 O HETATM 1793 O HOH 19 -5.047 -5.156 3.925 1.00 21.34 O HETATM 1794 O HOH 20 8.406 -6.729 16.708 1.00 8.05 O HETATM 1795 O HOH 21 0.651 -5.904 36.429 1.00 26.92 O HETATM 1796 O HOH 22 -12.324 -27.596 19.114 1.00 21.44 O HETATM 1797 O HOH 23 -12.697 -12.410 32.910 1.00 19.43 O HETATM 1798 O HOH 24 -24.687 -0.474 24.381 1.00 22.10 O HETATM 1799 O HOH 25 0.369 -0.061 27.699 1.00 21.19 O HETATM 1800 O HOH 26 -11.960 -26.789 15.896 1.00 20.81 O HETATM 1801 O HOH 27 11.227 -19.505 23.355 1.00 14.12 O HETATM 1802 O HOH 28 -23.653 2.703 10.845 1.00 30.50 O HETATM 1803 O HOH 29 -7.943 8.344 26.558 1.00 21.55 O HETATM 1804 O HOH 30 -19.673 -8.608 38.743 1.00 11.09 O HETATM 1805 O HOH 31 -5.626 10.835 34.763 1.00 24.35 O HETATM 1806 O HOH 32 0.596 7.758 29.689 1.00 17.80 O HETATM 1807 O HOH 33 -10.339 8.254 18.260 1.00 38.12 O HETATM 1808 O HOH 34 -8.798 -8.913 43.745 1.00 30.70 O HETATM 1809 O HOH 35 -13.723 -8.180 37.238 1.00 19.45 O HETATM 1810 O HOH 36 -21.021 -19.578 28.010 1.00 20.10 O HETATM 1811 O HOH 37 4.765 4.860 8.116 1.00 21.88 O HETATM 1812 O HOH 38 -14.051 -6.410 43.799 1.00 18.31 O HETATM 1813 O HOH 39 13.142 -12.811 27.339 1.00 29.41 O HETATM 1814 O HOH 40 4.287 9.691 29.134 1.00 32.56 O HETATM 1815 O HOH 41 -8.115 -3.240 10.947 1.00 12.07 O HETATM 1816 O HOH 42 14.705 -17.242 15.305 1.00 15.38 O HETATM 1817 O HOH 43 -5.883 -23.528 24.609 1.00 22.69 O HETATM 1818 O HOH 44 -13.493 2.892 37.768 1.00 15.84 O HETATM 1819 O HOH 45 5.568 -8.264 29.916 1.00 14.56 O HETATM 1820 O HOH 46 -17.908 -19.230 30.712 1.00 12.80 O HETATM 1821 O HOH 47 1.687 -22.346 19.605 1.00 11.34 O HETATM 1822 O HOH 48 -9.821 -25.861 21.461 1.00 19.21 O HETATM 1823 O HOH 49 6.890 -0.759 22.510 1.00 12.27 O HETATM 1824 O HOH 50 -19.989 -0.328 33.669 1.00 11.22 O HETATM 1825 O HOH 51 13.280 1.362 26.383 1.00 38.37 O HETATM 1826 O HOH 52 10.191 -13.269 9.761 1.00 15.26 O HETATM 1827 O HOH 53 -10.865 4.406 19.132 1.00 14.13 O HETATM 1828 O HOH 54 -2.378 -10.272 9.032 1.00 14.99 O HETATM 1829 O HOH 55 3.381 -5.446 26.198 1.00 13.05 O HETATM 1830 O HOH 56 -1.610 5.447 34.893 1.00 23.56 O HETATM 1831 O HOH 57 13.076 -3.798 24.613 1.00 21.48 O HETATM 1832 O HOH 58 11.444 4.488 17.518 1.00 29.02 O HETATM 1833 O HOH 59 -3.772 -16.255 6.924 1.00 29.51 O HETATM 1834 O HOH 60 8.870 -16.588 10.437 1.00 28.86 O HETATM 1835 O HOH 61 -24.421 -4.003 11.113 1.00 43.05 O HETATM 1836 O HOH 62 7.618 -1.132 30.144 1.00 19.03 O HETATM 1837 O HOH 63 -4.269 6.535 16.684 1.00 10.19 O HETATM 1838 O HOH 64 10.953 -21.660 -0.830 1.00 34.08 O HETATM 1839 O HOH 65 -12.613 -20.614 15.241 1.00 20.55 O HETATM 1840 O HOH 66 -2.698 4.149 16.620 1.00 11.54 O HETATM 1841 O HOH 67 -9.866 1.183 16.914 1.00 7.38 O HETATM 1842 O HOH 68 -3.908 -5.201 42.539 1.00 23.61 O HETATM 1843 O HOH 69 -18.309 -1.520 40.648 1.00 28.04 O HETATM 1844 O HOH 70 4.054 -20.437 11.513 1.00 13.60 O HETATM 1845 O HOH 71 3.866 -17.181 31.954 1.00 11.92 O HETATM 1846 O HOH 72 11.176 -26.313 -6.554 1.00 26.72 O HETATM 1847 O HOH 73 -10.049 2.643 13.949 1.00 18.64 O HETATM 1848 O HOH 74 0.795 -10.952 35.034 1.00 25.05 O HETATM 1849 O HOH 75 6.925 -17.492 22.396 1.00 8.87 O HETATM 1850 O HOH 76 2.050 10.551 20.163 1.00 9.51 O HETATM 1851 O HOH 77 5.509 -23.537 20.045 1.00 11.24 O HETATM 1852 O HOH 78 -18.727 3.627 26.474 1.00 9.88 O HETATM 1853 O HOH 79 2.235 -0.604 10.451 1.00 22.28 O HETATM 1854 O HOH 80 5.569 13.712 19.487 1.00 11.88 O HETATM 1855 O HOH 81 -13.264 6.900 29.713 1.00 42.51 O HETATM 1856 O HOH 82 7.854 -20.891 13.540 1.00 26.03 O HETATM 1857 O HOH 83 -11.690 8.974 24.433 1.00 24.19 O HETATM 1858 O HOH 84 -26.413 -4.985 10.991 1.00 43.60 O HETATM 1859 O HOH 85 4.194 1.453 10.917 1.00 17.24 O HETATM 1860 O HOH 86 14.573 -4.057 11.341 1.00 26.23 O HETATM 1861 O HOH 87 -16.514 -9.891 43.538 1.00 15.28 O HETATM 1862 O HOH 88 3.847 -9.641 6.749 1.00 24.68 O HETATM 1863 O HOH 89 12.263 -5.644 19.906 1.00 21.63 O HETATM 1864 O HOH 90 -17.383 -17.375 26.346 1.00 27.38 O HETATM 1865 O HOH 91 12.534 -9.223 23.460 1.00 14.49 O HETATM 1866 O HOH 92 -24.407 -6.204 33.860 1.00 7.58 O HETATM 1867 O HOH 93 15.486 -5.997 10.101 1.00 27.35 O HETATM 1868 O HOH 94 10.104 -13.767 5.932 1.00 29.48 O HETATM 1869 O HOH 95 -4.130 -12.489 39.425 1.00 15.42 O HETATM 1870 O HOH 96 -15.954 -2.330 40.692 1.00 15.00 O HETATM 1871 O HOH 97 12.106 -13.376 23.897 1.00 19.82 O HETATM 1872 O HOH 98 -17.089 -15.020 19.461 1.00 16.98 O HETATM 1873 O HOH 99 9.141 -11.957 22.254 1.00 14.43 O HETATM 1874 O HOH 100 -21.737 0.141 39.172 1.00 15.36 O HETATM 1875 O HOH 101 9.277 -9.229 20.218 1.00 25.46 O HETATM 1876 O HOH 102 -2.554 -5.068 35.995 1.00 10.73 O HETATM 1877 O HOH 103 10.036 -7.493 30.070 1.00 20.30 O HETATM 1878 O HOH 104 2.058 2.117 29.262 1.00 23.06 O HETATM 1879 O HOH 105 7.586 7.275 19.814 1.00 12.20 O HETATM 1880 O HOH 106 1.683 -17.804 9.300 1.00 13.62 O HETATM 1881 O HOH 107 5.522 -6.929 34.228 1.00 20.43 O HETATM 1882 O HOH 108 4.531 -19.157 15.294 1.00 9.03 O HETATM 1883 O HOH 109 2.789 -10.425 35.881 1.00 38.56 O HETATM 1884 O HOH 110 15.819 -3.723 14.088 1.00 27.62 O HETATM 1885 O HOH 111 8.100 -25.307 17.657 1.00 26.61 O HETATM 1886 O HOH 112 0.828 -21.866 15.466 1.00 16.75 O HETATM 1887 O HOH 113 -17.521 0.807 33.147 1.00 11.40 O HETATM 1888 O HOH 114 -12.410 -5.175 12.028 1.00 6.76 O HETATM 1889 O HOH 115 -8.346 -3.046 6.527 1.00 24.93 O HETATM 1890 O HOH 116 10.669 -13.406 26.177 1.00 14.60 O HETATM 1891 O HOH 117 0.819 -12.047 37.039 1.00 43.62 O HETATM 1892 O HOH 118 -19.252 6.059 27.925 1.00 15.37 O HETATM 1893 O HOH 119 -7.839 -13.604 9.251 1.00 25.05 O HETATM 1894 O HOH 120 -13.234 -8.573 10.446 1.00 15.66 O HETATM 1895 O HOH 121 9.545 -15.120 1.468 1.00 29.56 O HETATM 1896 O HOH 122 -1.538 -23.540 22.214 1.00 14.70 O HETATM 1897 O HOH 123 -6.062 -9.339 40.666 1.00 20.47 O HETATM 1898 O HOH 124 -17.525 3.211 34.206 1.00 19.20 O HETATM 1899 O HOH 125 -5.933 -4.089 9.604 1.00 12.26 O HETATM 1900 O HOH 126 -12.781 -12.226 39.235 1.00 16.55 O HETATM 1901 O HOH 127 4.708 -27.072 20.011 1.00 19.12 O HETATM 1902 O HOH 128 10.426 3.597 22.199 1.00 31.40 O HETATM 1903 O HOH 129 -19.619 -5.097 39.699 1.00 11.72 O HETATM 1904 O HOH 130 8.698 -12.762 4.317 1.00 32.06 O HETATM 1905 O HOH 131 7.680 13.563 21.937 1.00 31.45 O HETATM 1906 O HOH 132 14.848 1.603 20.257 1.00 29.22 O HETATM 1907 O HOH 133 -3.597 8.783 20.981 1.00 14.85 O HETATM 1908 O HOH 134 14.660 -15.464 18.104 1.00 22.30 O HETATM 1909 O HOH 135 -10.627 8.214 26.361 1.00 20.17 O HETATM 1910 O HOH 136 -23.640 -9.077 23.747 1.00 16.12 O HETATM 1911 O HOH 137 -8.759 -20.685 34.317 1.00 28.54 O HETATM 1912 O HOH 138 0.602 -24.457 23.797 1.00 30.66 O HETATM 1913 O HOH 139 -1.277 -14.331 37.729 1.00 39.40 O HETATM 1914 O HOH 140 11.359 2.089 20.342 1.00 26.61 O HETATM 1915 O HOH 141 -10.486 -24.285 23.260 1.00 21.58 O HETATM 1916 O HOH 142 8.493 -0.828 20.224 1.00 15.30 O HETATM 1917 O HOH 143 6.134 7.070 29.241 1.00 36.88 O HETATM 1918 O HOH 144 7.463 6.754 26.238 1.00 23.25 O HETATM 1919 O HOH 145 -21.746 -8.447 15.097 1.00 14.58 O HETATM 1920 O HOH 146 -14.040 -17.315 18.316 1.00 23.04 O HETATM 1921 O HOH 147 8.606 5.912 22.039 1.00 22.13 O HETATM 1922 O HOH 148 9.538 -2.870 18.987 1.00 27.69 O HETATM 1923 O HOH 149 -19.753 -15.373 21.151 1.00 36.69 O HETATM 1924 O HOH 150 1.145 2.819 13.810 1.00 25.38 O HETATM 1925 O HOH 151 0.417 10.909 30.499 1.00 34.61 O HETATM 1926 O HOH 152 9.540 -23.376 17.235 1.00 18.21 O HETATM 1927 O HOH 153 5.578 -16.258 10.270 1.00 17.31 O HETATM 1928 O HOH 154 14.799 -22.319 -2.179 1.00 35.76 O HETATM 1929 O HOH 155 -0.530 -16.849 8.507 1.00 18.60 O HETATM 1930 O HOH 156 12.538 -6.721 31.057 1.00 36.30 O HETATM 1931 O HOH 157 -11.320 5.362 14.829 1.00 25.75 O HETATM 1932 O HOH 158 -3.004 -0.833 34.492 1.00 23.33 O HETATM 1933 O HOH 159 -5.115 -14.780 38.905 1.00 24.75 O HETATM 1934 O HOH 160 14.594 -24.372 -9.443 1.00 21.19 O HETATM 1935 O HOH 161 -29.937 0.537 21.448 1.00 52.21 O HETATM 1936 O HOH 162 6.627 -19.629 11.261 1.00 19.59 O HETATM 1937 O HOH 163 12.388 -6.652 22.773 1.00 24.19 O HETATM 1938 O HOH 164 -0.135 -2.645 8.007 1.00 24.99 O HETATM 1939 O HOH 165 1.281 -17.183 35.077 1.00 28.84 O HETATM 1940 O HOH 166 20.532 -13.656 16.499 1.00 40.08 O HETATM 1941 O HOH 167 -7.934 1.932 12.386 1.00 33.04 O HETATM 1942 O HOH 168 2.266 3.226 9.557 1.00 27.42 O HETATM 1943 O HOH 169 -3.056 -12.556 6.067 1.00 35.98 O HETATM 1944 O HOH 170 14.146 -17.594 22.645 1.00 30.16 O HETATM 1945 O HOH 171 -6.875 -1.013 11.815 1.00 25.86 O HETATM 1946 O HOH 172 -4.575 -11.497 6.311 1.00 29.28 O HETATM 1947 O HOH 173 -11.306 -21.389 34.174 1.00 34.21 O HETATM 1948 O HOH 174 -6.137 -2.863 5.517 1.00 33.33 O HETATM 1949 O HOH 175 3.409 -11.447 4.212 1.00 26.22 O HETATM 1950 O HOH 176 -15.800 -17.096 19.669 1.00 32.54 O HETATM 1951 O HOH 177 -14.784 -18.996 16.907 1.00 37.46 O HETATM 1952 O HOH 178 -24.835 -12.086 18.827 1.00 38.72 O HETATM 1953 O HOH 179 -26.453 -2.759 35.252 1.00 41.73 O HETATM 1954 O HOH 180 -16.155 6.434 14.781 1.00 29.09 O HETATM 1955 O HOH 181 5.216 2.800 28.671 1.00 35.98 O HETATM 1956 O HOH 182 -15.414 -17.201 13.233 1.00 36.53 O HETATM 1957 O HOH 183 -3.716 -13.965 9.116 1.00 21.83 O HETATM 1958 O HOH 184 10.832 -7.287 20.527 1.00 34.17 O HETATM 1959 O HOH 185 3.062 1.655 34.209 1.00 35.89 O HETATM 1960 O HOH 186 -13.229 -22.821 22.794 1.00 34.72 O HETATM 1961 O HOH 187 -5.382 -2.318 7.799 1.00 27.48 O HETATM 1962 O HOH 188 1.856 -27.040 21.106 1.00 31.47 O HETATM 1963 O HOH 189 4.141 -18.163 8.765 1.00 29.96 O HETATM 1964 O HOH 190 7.714 -10.559 4.287 1.00 33.47 O HETATM 1965 O HOH 191 -4.286 -9.099 42.169 1.00 29.74 O HETATM 1966 O HOH 192 -2.099 -1.958 7.768 1.00 24.74 O HETATM 1967 O HOH 193 -10.988 -13.331 9.728 1.00 32.04 O HETATM 1968 O HOH 194 13.782 -1.001 4.071 1.00 44.67 O HETATM 1969 O HOH 195 5.681 -23.178 -10.541 1.00 31.39 O HETATM 1970 O HOH 196 -22.629 0.848 33.784 1.00 17.63 O HETATM 1971 O HOH 197 -13.100 -9.949 46.075 1.00 26.39 O HETATM 1972 O HOH 198 -10.946 -8.310 45.560 1.00 21.98 O HETATM 1973 O HOH 199 11.543 -11.945 22.740 1.00 32.98 O HETATM 1974 O HOH 200 10.797 -10.164 21.655 1.00 28.42 O HETATM 1975 O HOH 201 1.844 -20.998 33.667 1.00 34.75 O HETATM 1976 O HOH 202 -13.550 -18.538 11.484 1.00 42.89 O HETATM 1977 O HOH 203 -24.282 -9.877 16.173 1.00 32.16 O HETATM 1978 O HOH 204 12.557 -19.566 -8.818 1.00 26.93 O HETATM 1979 O HOH 205 -10.986 10.623 18.587 1.00 30.38 O HETATM 1980 O HOH 206 11.892 -19.877 13.340 1.00 32.19 O HETATM 1981 O HOH 207 6.038 14.187 24.218 1.00 39.97 O HETATM 1982 O HOH 208 -25.590 -7.968 22.727 1.00 27.04 O HETATM 1983 O HOH 209 -1.191 -19.210 35.048 1.00 38.64 O HETATM 1984 O HOH 210 2.505 -1.148 8.024 1.00 40.66 O HETATM 1985 O HOH 211 -24.827 -10.410 25.844 1.00 17.37 O HETATM 1986 O HOH 212 -26.024 -5.475 21.393 1.00 30.45 O HETATM 1987 O HOH 213 0.095 -24.213 14.001 1.00 14.68 O HETATM 1988 O HOH 214 -11.225 -10.546 10.138 1.00 21.27 O HETATM 1989 O HOH 215 14.923 -10.259 23.350 1.00 27.09 O HETATM 1990 O HOH 216 -2.085 -28.790 26.195 1.00 40.67 O HETATM 1991 O HOH 217 -0.069 -21.352 34.936 1.00 50.12 O HETATM 1992 O HOH 218 -18.050 5.778 33.047 1.00 33.16 O HETATM 1993 O HOH 219 1.233 1.530 7.597 1.00 34.27 O HETATM 1994 C13 FHD A 222 -13.486 -9.906 14.157 1.00 0.14 C HETATM 1995 C03 FHD A 222 -12.845 -10.730 13.319 1.00 0.02 C HETATM 1996 C02 FHD A 222 -13.993 -11.783 12.987 1.00 0.11 C HETATM 1997 C04 FHD A 222 -15.164 -10.816 12.638 1.00 0.07 C HETATM 1998 N14 FHD A 222 -15.017 -9.879 13.600 1.00 -0.25 N HETATM 1999 C01 FHD A 222 -16.008 -8.906 14.107 1.00 0.21 C HETATM 2000 C16 FHD A 222 -17.381 -8.964 13.478 1.00 0.14 C HETATM 2001 C24 FHD A 222 -17.643 -7.664 12.687 1.00 0.00 C HETATM 2002 C26 FHD A 222 -18.966 -7.875 11.922 1.00 -0.06 C HETATM 2003 H5 FHD A 222 -19.200 -6.972 11.339 1.00 0.02 H HETATM 2004 H6 FHD A 222 -19.777 -8.069 12.639 1.00 0.02 H HETATM 2005 H7 FHD A 222 -18.864 -8.734 11.243 1.00 0.02 H HETATM 2006 C25 FHD A 222 -17.796 -6.428 13.612 1.00 -0.06 C HETATM 2007 H22 FHD A 222 -17.980 -5.533 13.000 1.00 0.02 H HETATM 2008 H23 FHD A 222 -16.874 -6.290 14.195 1.00 0.02 H HETATM 2009 H24 FHD A 222 -18.643 -6.585 14.296 1.00 0.02 H HETATM 2010 C27 FHD A 222 -16.485 -7.408 11.685 1.00 -0.06 C HETATM 2011 H25 FHD A 222 -16.371 -8.281 11.026 1.00 0.02 H HETATM 2012 H26 FHD A 222 -15.550 -7.243 12.240 1.00 0.02 H HETATM 2013 H27 FHD A 222 -16.714 -6.519 11.079 1.00 0.02 H HETATM 2014 N17 FHD A 222 -18.351 -9.140 14.516 1.00 -0.24 N HETATM 2015 C18 FHD A 222 -18.735 -10.498 14.821 1.00 0.32 C HETATM 2016 O19 FHD A 222 -18.396 -11.429 14.157 1.00 -0.38 O HETATM 2017 O20 FHD A 222 -19.552 -10.601 15.950 1.00 -0.26 O HETATM 2018 C21 FHD A 222 -20.021 -11.867 16.251 1.00 0.09 C HETATM 2019 C22 FHD A 222 -21.207 -11.601 17.435 1.00 -0.02 C HETATM 2020 C51 FHD A 222 -20.441 -11.349 18.543 1.00 -0.05 C HETATM 2021 C52 FHD A 222 -19.181 -12.346 18.428 1.00 -0.05 C HETATM 2022 C23 FHD A 222 -19.057 -12.628 16.836 1.00 -0.02 C HETATM 2023 H20 FHD A 222 -18.062 -12.334 16.471 1.00 0.03 H HETATM 2024 H21 FHD A 222 -19.226 -13.693 16.621 1.00 0.03 H HETATM 2025 H40 FHD A 222 -18.268 -11.870 18.814 1.00 0.03 H HETATM 2026 H41 FHD A 222 -19.369 -13.280 18.978 1.00 0.03 H HETATM 2027 H38 FHD A 222 -21.012 -11.555 19.460 1.00 0.03 H HETATM 2028 H39 FHD A 222 -20.104 -10.302 18.548 1.00 0.03 H HETATM 2029 H3 FHD A 222 -21.838 -12.491 17.578 1.00 0.03 H HETATM 2030 H4 FHD A 222 -21.841 -10.739 17.181 1.00 0.03 H HETATM 2031 H2 FHD A 222 -20.426 -12.366 15.358 1.00 0.06 H HETATM 2032 H46 FHD A 222 -18.743 -8.361 15.005 1.00 0.19 H HETATM 2033 H19 FHD A 222 -17.432 -9.819 12.788 1.00 0.08 H HETATM 2034 O15 FHD A 222 -15.718 -8.130 14.987 1.00 -0.39 O HETATM 2035 H11 FHD A 222 -16.139 -11.320 12.710 1.00 0.06 H HETATM 2036 H12 FHD A 222 -15.047 -10.385 11.633 1.00 0.06 H HETATM 2037 O28 FHD A 222 -14.401 -12.458 14.055 1.00 -0.28 O HETATM 2038 C29 FHD A 222 -13.687 -13.640 14.272 1.00 0.21 C HETATM 2039 C30 FHD A 222 -13.894 -14.412 15.550 1.00 0.18 C HETATM 2040 N32 FHD A 222 -13.234 -15.622 15.902 1.00 -0.27 N HETATM 2041 C33 FHD A 222 -12.279 -16.115 14.945 1.00 0.06 C HETATM 2042 C34 FHD A 222 -11.526 -17.421 15.248 1.00 -0.04 C HETATM 2043 C35 FHD A 222 -10.534 -17.916 14.224 1.00 -0.02 C HETATM 2044 C36 FHD A 222 -10.309 -17.136 12.937 1.00 0.10 C HETATM 2045 C37 FHD A 222 -11.066 -15.854 12.630 1.00 -0.01 C HETATM 2046 C38 FHD A 222 -12.071 -15.365 13.664 1.00 0.05 C HETATM 2047 N39 FHD A 222 -12.748 -14.128 13.325 1.00 -0.26 N HETATM 2048 H30 FHD A 222 -10.897 -15.308 11.709 1.00 0.05 H HETATM 2049 O40 FHD A 222 -9.411 -17.627 12.024 1.00 -0.32 O HETATM 2050 C41 FHD A 222 -9.165 -16.864 10.844 1.00 0.06 C HETATM 2051 H31 FHD A 222 -8.427 -17.386 10.217 1.00 0.06 H HETATM 2052 H32 FHD A 222 -8.774 -15.874 11.122 1.00 0.06 H HETATM 2053 H33 FHD A 222 -10.103 -16.744 10.283 1.00 0.06 H HETATM 2054 H29 FHD A 222 -9.980 -18.830 14.406 1.00 0.06 H HETATM 2055 H28 FHD A 222 -11.702 -17.968 16.167 1.00 0.07 H HETATM 2056 CL FHD A 222 -15.053 -13.797 16.674 1.00 -0.03 CL HETATM 2057 H8 FHD A 222 -13.714 -12.461 12.167 1.00 0.07 H HETATM 2058 H9 FHD A 222 -11.984 -11.211 13.806 1.00 0.03 H HETATM 2059 H10 FHD A 222 -12.507 -10.203 12.415 1.00 0.03 H HETATM 2060 C11 FHD A 222 -13.121 -8.418 14.149 1.00 0.20 C HETATM 2061 N10 FHD A 222 -12.591 -7.957 15.407 1.00 -0.27 N HETATM 2062 C09 FHD A 222 -12.284 -6.546 15.656 1.00 0.15 C HETATM 2063 C07 FHD A 222 -13.521 -5.706 15.975 1.00 0.02 C HETATM 2064 C06 FHD A 222 -13.491 -4.223 15.564 1.00 -0.08 C HETATM 2065 C05 FHD A 222 -14.464 -3.768 14.780 1.00 -0.12 C HETATM 2066 H13 FHD A 222 -14.471 -2.724 14.472 1.00 0.03 H HETATM 2067 H14 FHD A 222 -15.254 -4.440 14.446 1.00 0.03 H HETATM 2068 H15 FHD A 222 -12.694 -3.564 15.906 1.00 0.07 H HETATM 2069 C08 FHD A 222 -12.568 -6.128 17.097 1.00 -0.00 C HETATM 2070 H17 FHD A 222 -12.886 -6.879 17.835 1.00 0.03 H HETATM 2071 H18 FHD A 222 -11.930 -5.378 17.588 1.00 0.03 H HETATM 2072 H16 FHD A 222 -14.535 -6.124 15.892 1.00 0.05 H HETATM 2073 C42 FHD A 222 -11.064 -5.871 15.059 1.00 0.25 C HETATM 2074 N44 FHD A 222 -10.368 -6.671 14.102 1.00 -0.15 N HETATM 2075 S45 FHD A 222 -9.041 -5.934 13.431 1.00 0.07 S HETATM 2076 C48 FHD A 222 -8.373 -7.090 12.213 1.00 0.11 C HETATM 2077 C49 FHD A 222 -6.942 -6.742 11.802 1.00 -0.02 C HETATM 2078 C50 FHD A 222 -7.219 -7.972 12.678 1.00 -0.02 C HETATM 2079 H36 FHD A 222 -7.097 -8.983 12.262 1.00 0.03 H HETATM 2080 H37 FHD A 222 -6.919 -7.973 13.736 1.00 0.03 H HETATM 2081 H34 FHD A 222 -6.444 -5.860 12.232 1.00 0.03 H HETATM 2082 H35 FHD A 222 -6.622 -6.870 10.757 1.00 0.03 H HETATM 2083 C53 FHD A 222 -9.335 -7.665 11.158 1.00 -0.04 C HETATM 2084 H42 FHD A 222 -8.785 -8.347 10.493 1.00 0.03 H HETATM 2085 H43 FHD A 222 -9.764 -6.843 10.566 1.00 0.03 H HETATM 2086 H44 FHD A 222 -10.144 -8.216 11.661 1.00 0.03 H HETATM 2087 O46 FHD A 222 -8.002 -5.505 14.381 1.00 -0.15 O HETATM 2088 O47 FHD A 222 -9.521 -4.749 12.702 1.00 -0.15 O HETATM 2089 H47 FHD A 222 -10.656 -7.597 13.857 1.00 0.21 H HETATM 2090 O43 FHD A 222 -10.695 -4.792 15.382 1.00 -0.34 O HETATM 2091 H45 FHD A 222 -12.427 -8.623 16.135 1.00 0.18 H HETATM 2092 O12 FHD A 222 -13.277 -7.668 13.212 1.00 -0.39 O HETATM 2093 H1 FHD A 222 -13.412 -10.300 15.181 1.00 0.08 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 538 528 539 540 541 CONECT 539 538 CONECT 540 538 CONECT 541 538 CONECT 1036 1035 1775 CONECT 1052 1051 1775 CONECT 1273 1266 1274 1275 1276 CONECT 1274 1273 CONECT 1275 1273 CONECT 1276 1273 CONECT 1479 1478 1775 CONECT 1505 1504 1507 1775 CONECT 1771 1772 CONECT 1772 1771 CONECT 1773 1774 CONECT 1774 1773 CONECT 1775 1036 1052 1479 1505 CONECT 1994 1995 1998 2060 2093 CONECT 1995 1994 1996 2058 2059 CONECT 1996 1995 1997 2037 2057 CONECT 1997 1996 1998 2035 2036 CONECT 1998 1994 1997 1999 CONECT 1999 1998 2000 2034 CONECT 2000 1999 2001 2014 2033 CONECT 2001 2000 2002 2006 2010 CONECT 2002 2001 2003 2004 2005 CONECT 2003 2002 CONECT 2004 2002 CONECT 2005 2002 CONECT 2006 2001 2007 2008 2009 CONECT 2007 2006 CONECT 2008 2006 CONECT 2009 2006 CONECT 2010 2001 2011 2012 2013 CONECT 2011 2010 CONECT 2012 2010 CONECT 2013 2010 CONECT 2014 2000 2015 2032 CONECT 2015 2014 2016 2017 CONECT 2016 2015 CONECT 2017 2015 2018 CONECT 2018 2017 2019 2022 2031 CONECT 2019 2018 2020 2029 2030 CONECT 2020 2019 2021 2027 2028 CONECT 2021 2020 2022 2025 2026 CONECT 2022 2018 2021 2023 2024 CONECT 2023 2022 CONECT 2024 2022 CONECT 2025 2021 CONECT 2026 2021 CONECT 2027 2020 CONECT 2028 2020 CONECT 2029 2019 CONECT 2030 2019 CONECT 2031 2018 CONECT 2032 2014 CONECT 2033 2000 CONECT 2034 1999 CONECT 2035 1997 CONECT 2036 1997 CONECT 2037 1996 2038 CONECT 2038 2037 2039 2047 CONECT 2039 2038 2040 2056 CONECT 2040 2039 2041 CONECT 2041 2040 2042 2046 CONECT 2042 2041 2043 2055 CONECT 2043 2042 2044 2054 CONECT 2044 2043 2045 2049 CONECT 2045 2044 2046 2048 CONECT 2046 2041 2045 2047 CONECT 2047 2038 2046 CONECT 2048 2045 CONECT 2049 2044 2050 CONECT 2050 2049 2051 2052 2053 CONECT 2051 2050 CONECT 2052 2050 CONECT 2053 2050 CONECT 2054 2043 CONECT 2055 2042 CONECT 2056 2039 CONECT 2057 1996 CONECT 2058 1995 CONECT 2059 1995 CONECT 2060 1994 2061 2092 CONECT 2061 2060 2062 2091 CONECT 2062 2061 2063 2069 2073 CONECT 2063 2062 2064 2069 2072 CONECT 2064 2063 2065 2068 CONECT 2065 2064 2066 2067 CONECT 2066 2065 CONECT 2067 2065 CONECT 2068 2064 CONECT 2069 2062 2063 2070 2071 CONECT 2070 2069 CONECT 2071 2069 CONECT 2072 2063 CONECT 2073 2062 2074 2090 CONECT 2074 2073 2075 2089 CONECT 2075 2074 2076 2087 2088 CONECT 2076 2075 2077 2078 2083 CONECT 2077 2076 2078 2081 2082 CONECT 2078 2076 2077 2079 2080 CONECT 2079 2078 CONECT 2080 2078 CONECT 2081 2077 CONECT 2082 2077 CONECT 2083 2076 2084 2085 2086 CONECT 2084 2083 CONECT 2085 2083 CONECT 2086 2083 CONECT 2087 2075 CONECT 2088 2075 CONECT 2089 2074 CONECT 2090 2073 CONECT 2091 2061 CONECT 2092 2060 CONECT 2093 1994 MASTER 0 0 0 0 0 0 0 0 2090 3 121 17 END
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6bqk
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6cvy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HCV NS3/4A WT protease
Ligand Name
FHD
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=3.9nM
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
6
H
4
7
ClN
6
O
9
S
Molecular Weight
775.311
Exact Mass
774.281
No. of atoms
100
No. of bonds
105
Polar Surface Area
203.6
LOGP Value
4.84 (
Computed with XLOGP3
)
5.97 (
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)Cl)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/C36H47ClN6O9S/c1-7-20-18-36(20,32(46)42-53(48,49)35(5)14-15-35)41-29(44)26-17-23(51-30-28(37)38-24-13-12-22(50-6)16-25(24)39-30)19-43(26)31(45)27(34(2,3)4)40-33(47)52-21-10-8-9-11-21/h7,12-13,16,20-21,23,26-27H,1,8-11,14-15,17-19H2,2-6H3,(H,40,47)(H,41,44)(H,42,46)/t20-,23-,26+,27-,36-/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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