Browse entries in the PDBbind-CN Database
HEADER 5CF8_COMPLEX COMPND 5CF8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 77 THR GLN PHE GLU GLU ARG HIS LEU LYS PHE LEU GLN GLN SEQRES 2 A 77 LEU GLY LYS GLY ASN PHE GLY SER VAL GLU MET CYS ARG SEQRES 3 A 77 TYR ASP PRO LEU GLN ASP ASN THR GLY GLU VAL VAL ALA SEQRES 4 A 77 VAL LYS LYS LEU GLN HIS SER THR GLU GLU HIS LEU ARG SEQRES 5 A 77 ASP PHE GLU ARG GLU ILE GLU ILE LEU LYS SER LEU GLN SEQRES 6 A 77 HIS ASP ASN ILE VAL LYS TYR LYS GLY VAL CYS TYR SEQRES 1 A 210 ASN LEU LYS LEU ILE MET GLU TYR LEU PRO TYR GLY SER SEQRES 2 A 210 LEU ARG ASP TYR LEU GLN LYS HIS LYS GLU ARG ILE ASP SEQRES 3 A 210 HIS ILE LYS LEU LEU GLN TYR THR SER GLN ILE CYS LYS SEQRES 4 A 210 GLY MET GLU TYR LEU GLY THR LYS ARG TYR ILE HIS ARG SEQRES 5 A 210 ASP LEU ALA THR ARG ASN ILE LEU VAL GLU ASN GLU ASN SEQRES 6 A 210 ARG VAL LYS ILE GLY ASP PHE GLY LEU THR LYS VAL LEU SEQRES 7 A 210 PRO GLN ASP LYS GLU PTR PTR LYS VAL LYS GLU PRO GLY SEQRES 8 A 210 GLU SER PRO ILE PHE TRP TYR ALA PRO GLU SER LEU THR SEQRES 9 A 210 GLU SER LYS PHE SER VAL ALA SER ASP VAL TRP SER PHE SEQRES 10 A 210 GLY VAL VAL LEU TYR GLU LEU PHE THR TYR ILE GLU LYS SEQRES 11 A 210 SER LYS SER PRO PRO ALA GLU PHE MET ARG MET ILE GLY SEQRES 12 A 210 ASN ASP LYS GLN GLY GLN MET ILE VAL PHE HIS LEU ILE SEQRES 13 A 210 GLU LEU LEU LYS ASN ASN GLY ARG LEU PRO ARG PRO ASP SEQRES 14 A 210 GLY CYS PRO ASP GLU ILE TYR MET ILE MET THR GLU CYS SEQRES 15 A 210 TRP ASN ASN ASN VAL ASN GLN ARG PRO SER PHE ARG ASP SEQRES 16 A 210 LEU ALA LEU ARG VAL ASP GLN ILE ARG ASP ASN MET ALA SEQRES 17 A 210 GLY HIS HET PTR A1007 17 HET PTR A1008 17 HET UNN A 533 60 ATOM 1 N THR A 842 -22.862 49.099 -4.557 1.00 62.28 N ATOM 2 CA THR A 842 -21.934 49.519 -5.615 1.00 61.47 C ATOM 3 C THR A 842 -21.467 50.966 -5.426 1.00 61.08 C ATOM 4 O THR A 842 -20.389 51.357 -5.909 1.00 59.06 O ATOM 5 CB THR A 842 -22.566 49.291 -6.991 1.00 69.93 C ATOM 6 HN3 THR A 842 -23.699 49.716 -4.567 1.00 0.00 H ATOM 7 HN2 THR A 842 -22.389 49.171 -3.634 1.00 0.00 H ATOM 8 HN1 THR A 842 -23.153 48.114 -4.723 1.00 0.00 H ATOM 9 N GLN A 843 -22.304 51.764 -4.737 1.00 54.84 N ATOM 10 CA GLN A 843 -22.015 53.154 -4.394 1.00 52.43 C ATOM 11 C GLN A 843 -21.843 53.204 -2.877 1.00 50.82 C ATOM 12 O GLN A 843 -22.706 52.731 -2.134 1.00 51.80 O ATOM 13 CB GLN A 843 -23.138 54.080 -4.868 1.00 54.14 C ATOM 14 H GLN A 843 -23.214 51.366 -4.429 1.00 0.00 H ATOM 15 N PHE A 844 -20.684 53.689 -2.431 1.00 41.21 N ATOM 16 CA PHE A 844 -20.342 53.759 -1.020 1.00 37.26 C ATOM 17 C PHE A 844 -20.345 55.209 -0.617 1.00 40.96 C ATOM 18 O PHE A 844 -19.831 56.046 -1.347 1.00 40.71 O ATOM 19 CB PHE A 844 -18.948 53.134 -0.786 1.00 36.22 C ATOM 20 CG PHE A 844 -18.925 51.625 -0.912 1.00 34.54 C ATOM 21 CD1 PHE A 844 -18.927 51.014 -2.160 1.00 35.55 C ATOM 22 CD2 PHE A 844 -18.884 50.816 0.218 1.00 34.14 C ATOM 23 CE1 PHE A 844 -18.917 49.619 -2.276 1.00 36.17 C ATOM 24 CE2 PHE A 844 -18.856 49.415 0.099 1.00 35.88 C ATOM 25 CZ PHE A 844 -18.886 48.829 -1.145 1.00 34.05 C ATOM 26 H PHE A 844 -19.991 54.034 -3.126 1.00 0.00 H ATOM 27 N GLU A 845 -20.904 55.505 0.549 1.00 37.05 N ATOM 28 CA GLU A 845 -20.972 56.874 1.039 1.00 36.73 C ATOM 29 C GLU A 845 -19.793 57.123 1.943 1.00 39.96 C ATOM 30 O GLU A 845 -19.597 56.373 2.901 1.00 37.66 O ATOM 31 CB GLU A 845 -22.269 57.110 1.812 1.00 38.28 C ATOM 32 CG GLU A 845 -23.511 57.198 0.947 1.00 54.55 C ATOM 33 CD GLU A 845 -24.717 57.628 1.755 1.00 81.27 C ATOM 34 OE1 GLU A 845 -24.868 58.850 1.992 1.00 80.34 O ATOM 35 OE2 GLU A 845 -25.475 56.739 2.207 1.00 70.66 O ATOM 36 H GLU A 845 -21.304 54.739 1.128 1.00 0.00 H ATOM 37 N GLU A 846 -19.023 58.185 1.669 1.00 37.31 N ATOM 38 CA GLU A 846 -17.855 58.589 2.460 1.00 38.25 C ATOM 39 C GLU A 846 -18.144 58.650 3.951 1.00 40.37 C ATOM 40 O GLU A 846 -17.333 58.171 4.753 1.00 39.31 O ATOM 41 CB GLU A 846 -17.311 59.939 1.938 1.00 40.36 C ATOM 42 CG GLU A 846 -16.233 60.593 2.781 1.00 56.48 C ATOM 43 CD GLU A 846 -14.853 59.986 2.655 1.00 84.02 C ATOM 44 OE1 GLU A 846 -14.211 60.189 1.602 1.00 76.38 O ATOM 45 OE2 GLU A 846 -14.394 59.349 3.631 1.00 83.33 O ATOM 46 H GLU A 846 -19.270 58.762 0.840 1.00 0.00 H ATOM 47 N ARG A 847 -19.317 59.212 4.326 1.00 36.44 N ATOM 48 CA ARG A 847 -19.718 59.353 5.718 1.00 36.33 C ATOM 49 C ARG A 847 -19.726 58.029 6.498 1.00 38.81 C ATOM 50 O ARG A 847 -19.588 58.061 7.715 1.00 38.09 O ATOM 51 CB ARG A 847 -21.070 60.088 5.856 1.00 37.89 C ATOM 52 CG ARG A 847 -22.286 59.370 5.273 1.00 52.23 C ATOM 53 CD ARG A 847 -23.500 60.283 5.256 1.00 68.47 C ATOM 54 NE ARG A 847 -24.709 59.558 4.865 1.00 85.25 N ATOM 55 CZ ARG A 847 -25.905 59.728 5.419 1.00104.20 C ATOM 56 NH1 ARG A 847 -26.066 60.587 6.417 1.00 94.32 N ATOM 57 NH2 ARG A 847 -26.941 59.011 5.007 1.00 91.22 N ATOM 58 HE ARG A 847 -24.627 58.860 4.099 1.00 0.00 H ATOM 59 HH12 ARG A 847 -27.005 60.715 6.846 1.00 0.00 H ATOM 60 HH11 ARG A 847 -25.254 61.132 6.770 1.00 0.00 H ATOM 61 HH22 ARG A 847 -27.875 59.148 5.444 1.00 0.00 H ATOM 62 HH21 ARG A 847 -26.820 58.312 4.247 1.00 0.00 H ATOM 63 H ARG A 847 -19.961 59.559 3.586 1.00 0.00 H ATOM 64 N HIS A 848 -19.910 56.880 5.817 1.00 34.87 N ATOM 65 CA HIS A 848 -19.930 55.594 6.525 1.00 34.54 C ATOM 66 C HIS A 848 -18.617 54.814 6.454 1.00 33.80 C ATOM 67 O HIS A 848 -18.546 53.704 7.012 1.00 31.14 O ATOM 68 CB HIS A 848 -21.086 54.708 6.091 1.00 36.62 C ATOM 69 CG HIS A 848 -22.419 55.387 6.026 1.00 41.98 C ATOM 70 ND1 HIS A 848 -23.076 55.859 7.165 1.00 44.36 N ATOM 71 CD2 HIS A 848 -23.233 55.522 4.972 1.00 44.93 C ATOM 72 CE1 HIS A 848 -24.236 56.331 6.737 1.00 44.58 C ATOM 73 NE2 HIS A 848 -24.374 56.147 5.427 1.00 45.22 N ATOM 74 H HIS A 848 -20.038 56.905 4.785 1.00 0.00 H ATOM 75 N LEU A 849 -17.594 55.371 5.795 1.00 29.73 N ATOM 76 CA LEU A 849 -16.271 54.765 5.686 1.00 29.08 C ATOM 77 C LEU A 849 -15.472 55.209 6.906 1.00 34.16 C ATOM 78 O LEU A 849 -15.164 56.392 7.057 1.00 35.62 O ATOM 79 CB LEU A 849 -15.635 55.233 4.377 1.00 29.79 C ATOM 80 CG LEU A 849 -14.905 54.296 3.425 1.00 34.67 C ATOM 81 CD1 LEU A 849 -15.461 52.874 3.382 1.00 32.32 C ATOM 82 CD2 LEU A 849 -14.776 54.939 2.049 1.00 35.47 C ATOM 83 H LEU A 849 -17.751 56.290 5.333 1.00 0.00 H ATOM 84 N LYS A 850 -15.241 54.281 7.846 1.00 27.92 N ATOM 85 CA LYS A 850 -14.521 54.554 9.092 1.00 26.81 C ATOM 86 C LYS A 850 -13.055 54.150 8.932 1.00 31.13 C ATOM 87 O LYS A 850 -12.780 52.962 8.753 1.00 29.25 O ATOM 88 CB LYS A 850 -15.166 53.774 10.272 1.00 27.97 C ATOM 89 CG LYS A 850 -16.638 54.152 10.524 1.00 41.99 C ATOM 90 CD LYS A 850 -17.279 53.367 11.668 1.00 47.76 C ATOM 91 CE LYS A 850 -18.453 54.107 12.332 1.00 50.13 C ATOM 92 NZ LYS A 850 -19.205 53.229 13.271 1.00 44.33 N ATOM 93 HZ1 LYS A 850 -19.587 52.413 12.751 1.00 0.00 H ATOM 94 HZ2 LYS A 850 -18.565 52.895 14.020 1.00 0.00 H ATOM 95 HZ3 LYS A 850 -19.987 53.767 13.696 1.00 0.00 H ATOM 96 H LYS A 850 -15.592 53.316 7.682 1.00 0.00 H ATOM 97 N PHE A 851 -12.113 55.113 9.023 1.00 25.26 N ATOM 98 CA PHE A 851 -10.680 54.812 8.903 1.00 23.70 C ATOM 99 C PHE A 851 -10.170 53.913 10.004 1.00 27.50 C ATOM 100 O PHE A 851 -10.427 54.174 11.175 1.00 27.08 O ATOM 101 CB PHE A 851 -9.839 56.107 8.891 1.00 23.99 C ATOM 102 CG PHE A 851 -8.346 55.894 8.871 1.00 22.73 C ATOM 103 CD1 PHE A 851 -7.683 55.611 7.679 1.00 24.70 C ATOM 104 CD2 PHE A 851 -7.586 56.030 10.032 1.00 23.59 C ATOM 105 CE1 PHE A 851 -6.305 55.446 7.648 1.00 24.70 C ATOM 106 CE2 PHE A 851 -6.200 55.852 10.008 1.00 26.67 C ATOM 107 CZ PHE A 851 -5.564 55.574 8.805 1.00 25.52 C ATOM 108 H PHE A 851 -12.411 56.097 9.183 1.00 0.00 H ATOM 109 N LEU A 852 -9.377 52.884 9.632 1.00 22.68 N ATOM 110 CA LEU A 852 -8.774 51.979 10.627 1.00 22.71 C ATOM 111 C LEU A 852 -7.263 52.074 10.602 1.00 26.98 C ATOM 112 O LEU A 852 -6.652 52.278 11.645 1.00 26.76 O ATOM 113 CB LEU A 852 -9.244 50.511 10.469 1.00 22.30 C ATOM 114 CG LEU A 852 -10.755 50.279 10.634 1.00 26.37 C ATOM 115 CD1 LEU A 852 -11.123 48.846 10.269 1.00 25.51 C ATOM 116 CD2 LEU A 852 -11.222 50.628 12.054 1.00 28.93 C ATOM 117 H LEU A 852 -9.188 52.727 8.621 1.00 0.00 H ATOM 118 N GLN A 853 -6.648 51.972 9.413 1.00 24.29 N ATOM 119 CA GLN A 853 -5.196 52.083 9.324 1.00 25.12 C ATOM 120 C GLN A 853 -4.723 52.255 7.915 1.00 26.89 C ATOM 121 O GLN A 853 -5.436 51.890 6.984 1.00 25.47 O ATOM 122 CB GLN A 853 -4.485 50.878 9.992 1.00 28.33 C ATOM 123 CG GLN A 853 -4.486 49.618 9.202 1.00 30.51 C ATOM 124 CD GLN A 853 -3.471 48.669 9.800 1.00 52.41 C ATOM 125 OE1 GLN A 853 -3.755 47.955 10.739 1.00 38.93 O ATOM 126 NE2 GLN A 853 -2.252 48.658 9.295 1.00 48.65 N ATOM 127 HE22 GLN A 853 -2.017 49.273 8.490 1.00 0.00 H ATOM 128 HE21 GLN A 853 -1.526 48.034 9.702 1.00 0.00 H ATOM 129 H GLN A 853 -7.209 51.813 8.552 1.00 0.00 H ATOM 130 N GLN A 854 -3.524 52.814 7.765 1.00 25.23 N ATOM 131 CA GLN A 854 -2.848 52.998 6.479 1.00 26.81 C ATOM 132 C GLN A 854 -2.185 51.646 6.143 1.00 29.18 C ATOM 133 O GLN A 854 -1.426 51.131 6.963 1.00 30.35 O ATOM 134 CB GLN A 854 -1.793 54.123 6.611 1.00 29.47 C ATOM 135 CG GLN A 854 -0.872 54.334 5.390 1.00 42.94 C ATOM 136 CD GLN A 854 -1.641 54.775 4.165 1.00 50.93 C ATOM 137 OE1 GLN A 854 -2.769 55.248 4.251 1.00 43.78 O ATOM 138 NE2 GLN A 854 -1.071 54.600 2.992 1.00 42.08 N ATOM 139 HE22 GLN A 854 -0.114 54.198 2.934 1.00 0.00 H ATOM 140 HE21 GLN A 854 -1.578 54.864 2.123 1.00 0.00 H ATOM 141 H GLN A 854 -3.033 53.143 8.621 1.00 0.00 H ATOM 142 N LEU A 855 -2.482 51.068 4.963 1.00 23.60 N ATOM 143 CA LEU A 855 -1.932 49.757 4.584 1.00 22.28 C ATOM 144 C LEU A 855 -0.701 49.908 3.753 1.00 26.01 C ATOM 145 O LEU A 855 0.261 49.176 3.949 1.00 25.57 O ATOM 146 CB LEU A 855 -2.995 48.888 3.879 1.00 21.91 C ATOM 147 CG LEU A 855 -4.217 48.484 4.708 1.00 24.18 C ATOM 148 CD1 LEU A 855 -5.297 47.815 3.846 1.00 24.24 C ATOM 149 CD2 LEU A 855 -3.831 47.618 5.910 1.00 27.94 C ATOM 150 H LEU A 855 -3.116 51.561 4.303 1.00 0.00 H ATOM 151 N GLY A 856 -0.706 50.848 2.832 1.00 25.43 N ATOM 152 CA GLY A 856 0.487 51.081 2.029 1.00 27.09 C ATOM 153 C GLY A 856 0.374 52.209 1.033 1.00 34.30 C ATOM 154 O GLY A 856 -0.697 52.797 0.860 1.00 33.20 O ATOM 155 H GLY A 856 -1.559 51.423 2.678 1.00 0.00 H ATOM 156 N LYS A 857 1.507 52.498 0.348 1.00 35.12 N ATOM 157 CA LYS A 857 1.635 53.488 -0.733 1.00 37.43 C ATOM 158 C LYS A 857 2.381 52.878 -1.933 1.00 43.85 C ATOM 159 O LYS A 857 3.233 51.996 -1.764 1.00 42.47 O ATOM 160 CB LYS A 857 2.312 54.782 -0.240 1.00 41.22 C ATOM 161 CG LYS A 857 1.398 55.641 0.640 1.00 53.13 C ATOM 162 CD LYS A 857 1.991 57.016 0.982 1.00 65.46 C ATOM 163 CE LYS A 857 2.939 57.004 2.164 1.00 79.84 C ATOM 164 NZ LYS A 857 2.248 56.682 3.442 1.00 91.73 N ATOM 165 HZ1 LYS A 857 1.513 57.394 3.626 1.00 0.00 H ATOM 166 HZ2 LYS A 857 1.811 55.741 3.371 1.00 0.00 H ATOM 167 HZ3 LYS A 857 2.939 56.686 4.219 1.00 0.00 H ATOM 168 H LYS A 857 2.365 51.972 0.610 1.00 0.00 H ATOM 169 N GLY A 858 1.998 53.297 -3.133 1.00 42.24 N ATOM 170 CA GLY A 858 2.586 52.783 -4.364 1.00 43.90 C ATOM 171 C GLY A 858 2.145 53.575 -5.573 1.00 50.58 C ATOM 172 O GLY A 858 0.940 53.749 -5.802 1.00 49.41 O ATOM 173 H GLY A 858 1.251 54.018 -3.197 1.00 0.00 H ATOM 174 N ASN A 859 3.139 54.083 -6.329 1.00 49.20 N ATOM 175 CA ASN A 859 2.985 54.895 -7.541 1.00 49.21 C ATOM 176 C ASN A 859 1.742 55.803 -7.561 1.00 51.59 C ATOM 177 O ASN A 859 0.741 55.493 -8.222 1.00 53.02 O ATOM 178 CB ASN A 859 3.034 54.022 -8.791 1.00 52.23 C ATOM 179 H ASN A 859 4.112 53.879 -6.022 1.00 0.00 H ATOM 180 N PHE A 860 1.800 56.907 -6.809 1.00 45.89 N ATOM 181 CA PHE A 860 0.753 57.935 -6.737 1.00 43.30 C ATOM 182 C PHE A 860 -0.537 57.493 -6.011 1.00 40.89 C ATOM 183 O PHE A 860 -1.381 58.358 -5.744 1.00 37.08 O ATOM 184 CB PHE A 860 0.433 58.526 -8.137 1.00 45.50 C ATOM 185 CG PHE A 860 1.674 58.949 -8.900 1.00 47.31 C ATOM 186 CD1 PHE A 860 2.474 59.990 -8.437 1.00 50.45 C ATOM 187 CD2 PHE A 860 2.065 58.273 -10.051 1.00 49.27 C ATOM 188 CE1 PHE A 860 3.640 60.359 -9.125 1.00 51.78 C ATOM 189 CE2 PHE A 860 3.229 58.646 -10.740 1.00 52.07 C ATOM 190 CZ PHE A 860 4.009 59.682 -10.269 1.00 50.28 C ATOM 191 H PHE A 860 2.652 57.049 -6.230 1.00 0.00 H ATOM 192 N GLY A 861 -0.648 56.193 -5.662 1.00 35.00 N ATOM 193 CA GLY A 861 -1.769 55.645 -4.898 1.00 33.94 C ATOM 194 C GLY A 861 -1.439 55.363 -3.430 1.00 36.07 C ATOM 195 O GLY A 861 -0.269 55.246 -3.050 1.00 36.95 O ATOM 196 H GLY A 861 0.109 55.542 -5.954 1.00 0.00 H ATOM 197 N SER A 862 -2.479 55.256 -2.590 1.00 29.83 N ATOM 198 CA SER A 862 -2.397 54.979 -1.143 1.00 27.26 C ATOM 199 C SER A 862 -3.593 54.094 -0.803 1.00 25.81 C ATOM 200 O SER A 862 -4.677 54.341 -1.330 1.00 23.99 O ATOM 201 CB SER A 862 -2.510 56.286 -0.365 1.00 29.83 C ATOM 202 OG SER A 862 -2.600 56.078 1.034 1.00 39.45 O ATOM 203 HG SER A 862 -2.671 56.952 1.493 1.00 0.00 H ATOM 204 H SER A 862 -3.429 55.379 -2.995 1.00 0.00 H ATOM 205 N VAL A 863 -3.392 53.050 0.023 1.00 21.83 N ATOM 206 CA VAL A 863 -4.469 52.119 0.381 1.00 20.74 C ATOM 207 C VAL A 863 -4.650 52.111 1.877 1.00 21.42 C ATOM 208 O VAL A 863 -3.671 51.994 2.602 1.00 23.37 O ATOM 209 CB VAL A 863 -4.234 50.676 -0.178 1.00 23.82 C ATOM 210 CG1 VAL A 863 -5.353 49.723 0.266 1.00 22.76 C ATOM 211 CG2 VAL A 863 -4.131 50.690 -1.706 1.00 23.87 C ATOM 212 H VAL A 863 -2.443 52.898 0.420 1.00 0.00 H ATOM 213 N GLU A 864 -5.901 52.200 2.331 1.00 18.99 N ATOM 214 CA GLU A 864 -6.235 52.206 3.753 1.00 19.98 C ATOM 215 C GLU A 864 -7.182 51.053 4.049 1.00 22.08 C ATOM 216 O GLU A 864 -7.989 50.669 3.204 1.00 24.40 O ATOM 217 CB GLU A 864 -7.027 53.497 4.109 1.00 21.36 C ATOM 218 CG GLU A 864 -6.313 54.797 3.807 1.00 29.72 C ATOM 219 CD GLU A 864 -7.157 56.056 3.947 1.00 35.49 C ATOM 220 OE1 GLU A 864 -8.407 55.962 3.970 1.00 31.31 O ATOM 221 OE2 GLU A 864 -6.554 57.149 3.957 1.00 41.19 O ATOM 222 H GLU A 864 -6.675 52.268 1.640 1.00 0.00 H ATOM 223 N MET A 865 -7.172 50.621 5.294 1.00 19.40 N ATOM 224 CA MET A 865 -8.138 49.660 5.809 1.00 18.96 C ATOM 225 C MET A 865 -9.241 50.515 6.453 1.00 22.21 C ATOM 226 O MET A 865 -8.933 51.355 7.301 1.00 22.73 O ATOM 227 CB MET A 865 -7.465 48.810 6.883 1.00 19.88 C ATOM 228 CG MET A 865 -8.349 47.735 7.468 1.00 22.61 C ATOM 229 SD MET A 865 -7.421 47.019 8.867 1.00 28.46 S ATOM 230 CE MET A 865 -8.476 45.681 9.340 1.00 26.60 C ATOM 231 H MET A 865 -6.441 50.983 5.939 1.00 0.00 H ATOM 232 N CYS A 866 -10.498 50.296 6.060 1.00 20.83 N ATOM 233 CA CYS A 866 -11.678 50.995 6.613 1.00 21.06 C ATOM 234 C CYS A 866 -12.771 50.015 6.958 1.00 25.69 C ATOM 235 O CYS A 866 -12.877 48.982 6.312 1.00 25.20 O ATOM 236 CB CYS A 866 -12.214 51.997 5.601 1.00 22.37 C ATOM 237 SG CYS A 866 -11.070 53.336 5.224 1.00 27.05 S ATOM 238 H CYS A 866 -10.658 49.587 5.316 1.00 0.00 H ATOM 239 N ARG A 867 -13.664 50.400 7.869 1.00 21.50 N ATOM 240 CA ARG A 867 -14.886 49.632 8.106 1.00 21.23 C ATOM 241 C ARG A 867 -16.003 50.412 7.440 1.00 26.05 C ATOM 242 O ARG A 867 -16.140 51.618 7.706 1.00 27.56 O ATOM 243 CB ARG A 867 -15.163 49.474 9.609 1.00 23.12 C ATOM 244 CG ARG A 867 -16.515 48.844 9.901 1.00 30.56 C ATOM 245 CD ARG A 867 -16.568 48.445 11.359 1.00 36.21 C ATOM 246 NE ARG A 867 -17.070 47.095 11.388 1.00 53.69 N ATOM 247 CZ ARG A 867 -16.747 46.148 12.245 1.00 46.85 C ATOM 248 NH1 ARG A 867 -15.903 46.396 13.244 1.00 33.08 N ATOM 249 NH2 ARG A 867 -17.280 44.958 12.137 1.00 49.19 N ATOM 250 HE ARG A 867 -17.761 46.841 10.654 1.00 0.00 H ATOM 251 HH12 ARG A 867 -15.655 45.641 13.915 1.00 0.00 H ATOM 252 HH11 ARG A 867 -15.492 47.345 13.354 1.00 0.00 H ATOM 253 HH22 ARG A 867 -17.025 44.211 12.814 1.00 0.00 H ATOM 254 HH21 ARG A 867 -17.959 44.760 11.374 1.00 0.00 H ATOM 255 H ARG A 867 -13.489 51.263 8.422 1.00 0.00 H ATOM 256 N TYR A 868 -16.762 49.771 6.547 1.00 23.51 N ATOM 257 CA TYR A 868 -17.886 50.473 5.915 1.00 25.66 C ATOM 258 C TYR A 868 -19.068 50.128 6.791 1.00 30.12 C ATOM 259 O TYR A 868 -19.572 48.996 6.739 1.00 28.00 O ATOM 260 CB TYR A 868 -18.130 50.052 4.465 1.00 28.03 C ATOM 261 CG TYR A 868 -19.188 50.921 3.808 1.00 32.34 C ATOM 262 CD1 TYR A 868 -18.994 52.292 3.648 1.00 35.01 C ATOM 263 CD2 TYR A 868 -20.411 50.386 3.412 1.00 34.10 C ATOM 264 CE1 TYR A 868 -19.960 53.096 3.042 1.00 37.05 C ATOM 265 CE2 TYR A 868 -21.407 51.193 2.849 1.00 34.77 C ATOM 266 CZ TYR A 868 -21.172 52.549 2.665 1.00 43.65 C ATOM 267 OH TYR A 868 -22.120 53.368 2.091 1.00 45.46 O ATOM 268 HH TYR A 868 -22.944 53.351 2.639 1.00 0.00 H ATOM 269 H TYR A 868 -16.558 48.781 6.301 1.00 0.00 H ATOM 270 N ASP A 869 -19.487 51.092 7.622 1.00 28.44 N ATOM 271 CA ASP A 869 -20.502 50.846 8.634 1.00 28.25 C ATOM 272 C ASP A 869 -21.739 51.760 8.493 1.00 35.58 C ATOM 273 O ASP A 869 -21.938 52.627 9.344 1.00 34.38 O ATOM 274 CB ASP A 869 -19.825 51.033 10.001 1.00 29.94 C ATOM 275 CG ASP A 869 -20.575 50.428 11.158 1.00 34.61 C ATOM 276 OD1 ASP A 869 -21.185 49.353 10.967 1.00 34.32 O ATOM 277 OD2 ASP A 869 -20.495 50.990 12.270 1.00 37.81 O ATOM 278 H ASP A 869 -19.075 52.043 7.541 1.00 0.00 H ATOM 279 N PRO A 870 -22.577 51.583 7.449 1.00 35.60 N ATOM 280 CA PRO A 870 -23.749 52.466 7.283 1.00 36.67 C ATOM 281 C PRO A 870 -24.757 52.436 8.425 1.00 42.96 C ATOM 282 O PRO A 870 -25.385 53.468 8.689 1.00 44.41 O ATOM 283 CB PRO A 870 -24.362 52.018 5.964 1.00 38.03 C ATOM 284 CG PRO A 870 -23.884 50.611 5.791 1.00 42.17 C ATOM 285 CD PRO A 870 -22.508 50.590 6.361 1.00 37.53 C ATOM 286 N LEU A 871 -24.861 51.319 9.141 1.00 39.67 N ATOM 287 CA LEU A 871 -25.785 51.218 10.277 1.00 40.47 C ATOM 288 C LEU A 871 -25.230 51.873 11.542 1.00 46.10 C ATOM 289 O LEU A 871 -25.954 51.998 12.531 1.00 47.56 O ATOM 290 CB LEU A 871 -26.180 49.752 10.553 1.00 41.00 C ATOM 291 CG LEU A 871 -26.842 48.941 9.433 1.00 46.27 C ATOM 292 CD1 LEU A 871 -27.167 47.551 9.925 1.00 46.78 C ATOM 293 CD2 LEU A 871 -28.106 49.609 8.917 1.00 47.82 C ATOM 294 H LEU A 871 -24.274 50.498 8.890 1.00 0.00 H ATOM 295 N GLN A 872 -23.942 52.257 11.523 1.00 41.79 N ATOM 296 CA GLN A 872 -23.204 52.888 12.633 1.00 42.25 C ATOM 297 C GLN A 872 -23.331 52.100 13.947 1.00 46.33 C ATOM 298 O GLN A 872 -23.360 52.690 15.028 1.00 47.03 O ATOM 299 CB GLN A 872 -23.587 54.380 12.807 1.00 43.94 C ATOM 300 CG GLN A 872 -23.464 55.228 11.531 1.00 58.68 C ATOM 301 CD GLN A 872 -22.083 55.808 11.272 1.00 74.04 C ATOM 302 OE1 GLN A 872 -21.357 56.204 12.195 1.00 69.79 O ATOM 303 NE2 GLN A 872 -21.694 55.880 10.005 1.00 61.36 N ATOM 304 HE22 GLN A 872 -22.322 55.541 9.248 1.00 0.00 H ATOM 305 HE21 GLN A 872 -20.762 56.275 9.769 1.00 0.00 H ATOM 306 H GLN A 872 -23.416 52.093 10.641 1.00 0.00 H ATOM 307 N ASP A 873 -23.398 50.767 13.840 1.00 40.64 N ATOM 308 CA ASP A 873 -23.528 49.866 14.980 1.00 39.38 C ATOM 309 C ASP A 873 -22.358 48.882 15.051 1.00 41.45 C ATOM 310 O ASP A 873 -22.460 47.865 15.739 1.00 41.32 O ATOM 311 CB ASP A 873 -24.862 49.108 14.901 1.00 40.77 C ATOM 312 CG ASP A 873 -25.024 48.229 13.674 1.00 45.16 C ATOM 313 OD1 ASP A 873 -24.125 48.253 12.794 1.00 42.46 O ATOM 314 OD2 ASP A 873 -26.053 47.518 13.583 1.00 45.75 O ATOM 315 H ASP A 873 -23.355 50.349 12.888 1.00 0.00 H ATOM 316 N ASN A 874 -21.278 49.166 14.295 1.00 36.37 N ATOM 317 CA ASN A 874 -20.080 48.338 14.288 1.00 35.26 C ATOM 318 C ASN A 874 -20.362 46.913 13.782 1.00 36.97 C ATOM 319 O ASN A 874 -19.896 45.960 14.399 1.00 36.91 O ATOM 320 CB ASN A 874 -19.405 48.347 15.695 1.00 35.00 C ATOM 321 CG ASN A 874 -17.947 47.932 15.670 1.00 48.82 C ATOM 322 OD1 ASN A 874 -17.167 48.415 14.854 1.00 37.34 O ATOM 323 ND2 ASN A 874 -17.562 46.988 16.527 1.00 39.72 N ATOM 324 HD22 ASN A 874 -18.243 46.595 17.208 1.00 0.00 H ATOM 325 HD21 ASN A 874 -16.581 46.644 16.515 1.00 0.00 H ATOM 326 H ASN A 874 -21.302 50.012 13.691 1.00 0.00 H ATOM 327 N THR A 875 -21.161 46.765 12.694 1.00 33.04 N ATOM 328 CA THR A 875 -21.460 45.448 12.061 1.00 31.65 C ATOM 329 C THR A 875 -21.002 45.408 10.573 1.00 33.93 C ATOM 330 O THR A 875 -21.060 44.359 9.925 1.00 33.84 O ATOM 331 CB THR A 875 -22.962 45.095 12.120 1.00 35.76 C ATOM 332 OG1 THR A 875 -23.716 46.031 11.333 1.00 37.39 O ATOM 333 CG2 THR A 875 -23.495 45.008 13.539 1.00 35.23 C ATOM 334 HG1 THR A 875 -23.581 46.945 11.690 1.00 0.00 H ATOM 335 H THR A 875 -21.588 47.618 12.279 1.00 0.00 H ATOM 336 N GLY A 876 -20.622 46.558 10.032 1.00 28.47 N ATOM 337 CA GLY A 876 -20.230 46.650 8.632 1.00 27.78 C ATOM 338 C GLY A 876 -18.933 45.920 8.336 1.00 28.47 C ATOM 339 O GLY A 876 -18.138 45.653 9.240 1.00 28.00 O ATOM 340 H GLY A 876 -20.603 47.415 10.622 1.00 0.00 H ATOM 341 N GLU A 877 -18.723 45.545 7.074 1.00 25.62 N ATOM 342 CA GLU A 877 -17.488 44.820 6.775 1.00 24.91 C ATOM 343 C GLU A 877 -16.282 45.724 6.611 1.00 26.19 C ATOM 344 O GLU A 877 -16.403 46.885 6.223 1.00 24.91 O ATOM 345 CB GLU A 877 -17.660 43.892 5.564 1.00 27.87 C ATOM 346 CG GLU A 877 -17.960 44.590 4.264 1.00 35.95 C ATOM 347 CD GLU A 877 -18.123 43.667 3.072 1.00 52.59 C ATOM 348 OE1 GLU A 877 -18.767 44.091 2.091 1.00 46.07 O ATOM 349 OE2 GLU A 877 -17.609 42.529 3.108 1.00 50.88 O ATOM 350 H GLU A 877 -19.414 45.761 6.327 1.00 0.00 H ATOM 351 N VAL A 878 -15.107 45.169 6.889 1.00 22.01 N ATOM 352 CA VAL A 878 -13.817 45.835 6.689 1.00 21.26 C ATOM 353 C VAL A 878 -13.491 45.716 5.191 1.00 23.29 C ATOM 354 O VAL A 878 -13.686 44.650 4.600 1.00 20.98 O ATOM 355 CB VAL A 878 -12.727 45.210 7.575 1.00 24.38 C ATOM 356 CG1 VAL A 878 -11.341 45.687 7.149 1.00 24.17 C ATOM 357 CG2 VAL A 878 -12.969 45.551 9.052 1.00 24.13 C ATOM 358 H VAL A 878 -15.103 44.202 7.272 1.00 0.00 H ATOM 359 N VAL A 879 -13.068 46.831 4.565 1.00 19.05 N ATOM 360 CA VAL A 879 -12.759 46.897 3.128 1.00 19.05 C ATOM 361 C VAL A 879 -11.399 47.592 2.974 1.00 20.58 C ATOM 362 O VAL A 879 -10.916 48.232 3.920 1.00 21.13 O ATOM 363 CB VAL A 879 -13.870 47.681 2.346 1.00 22.40 C ATOM 364 CG1 VAL A 879 -15.195 46.908 2.339 1.00 22.71 C ATOM 365 CG2 VAL A 879 -14.075 49.099 2.926 1.00 21.85 C ATOM 366 H VAL A 879 -12.953 47.696 5.131 1.00 0.00 H ATOM 367 N ALA A 880 -10.813 47.510 1.775 1.00 18.43 N ATOM 368 CA ALA A 880 -9.571 48.198 1.460 1.00 17.24 C ATOM 369 C ALA A 880 -9.983 49.350 0.557 1.00 21.40 C ATOM 370 O ALA A 880 -10.771 49.160 -0.377 1.00 22.14 O ATOM 371 CB ALA A 880 -8.619 47.263 0.710 1.00 18.26 C ATOM 372 H ALA A 880 -11.264 46.931 1.038 1.00 0.00 H ATOM 373 N VAL A 881 -9.447 50.536 0.824 1.00 19.31 N ATOM 374 CA VAL A 881 -9.829 51.739 0.046 1.00 19.36 C ATOM 375 C VAL A 881 -8.588 52.343 -0.582 1.00 19.90 C ATOM 376 O VAL A 881 -7.669 52.700 0.143 1.00 20.68 O ATOM 377 CB VAL A 881 -10.513 52.766 1.008 1.00 24.50 C ATOM 378 CG1 VAL A 881 -10.929 54.030 0.247 1.00 24.68 C ATOM 379 CG2 VAL A 881 -11.726 52.139 1.713 1.00 23.38 C ATOM 380 H VAL A 881 -8.749 50.622 1.590 1.00 0.00 H ATOM 381 N LYS A 882 -8.590 52.515 -1.906 1.00 18.64 N ATOM 382 CA LYS A 882 -7.461 53.109 -2.619 1.00 19.20 C ATOM 383 C LYS A 882 -7.838 54.538 -3.025 1.00 23.20 C ATOM 384 O LYS A 882 -8.939 54.764 -3.512 1.00 23.13 O ATOM 385 CB LYS A 882 -7.044 52.269 -3.857 1.00 21.15 C ATOM 386 CG LYS A 882 -5.820 52.831 -4.573 1.00 20.67 C ATOM 387 CD LYS A 882 -5.271 51.901 -5.671 1.00 21.49 C ATOM 388 CE LYS A 882 -4.023 52.538 -6.262 1.00 26.01 C ATOM 389 NZ LYS A 882 -3.446 51.756 -7.407 1.00 23.78 N ATOM 390 HZ1 LYS A 882 -3.188 50.803 -7.079 1.00 0.00 H ATOM 391 HZ2 LYS A 882 -4.153 51.684 -8.167 1.00 0.00 H ATOM 392 HZ3 LYS A 882 -2.599 52.242 -7.765 1.00 0.00 H ATOM 393 H LYS A 882 -9.425 52.216 -2.449 1.00 0.00 H ATOM 394 N LYS A 883 -6.922 55.481 -2.808 1.00 22.86 N ATOM 395 CA LYS A 883 -7.119 56.889 -3.173 1.00 22.93 C ATOM 396 C LYS A 883 -5.816 57.431 -3.761 1.00 29.61 C ATOM 397 O LYS A 883 -4.750 56.843 -3.569 1.00 30.46 O ATOM 398 CB LYS A 883 -7.565 57.700 -1.933 1.00 25.84 C ATOM 399 CG LYS A 883 -6.495 57.831 -0.854 1.00 37.35 C ATOM 400 CD LYS A 883 -6.961 58.738 0.284 1.00 51.20 C ATOM 401 CE LYS A 883 -5.826 59.085 1.208 1.00 66.38 C ATOM 402 NZ LYS A 883 -6.314 59.724 2.463 1.00 79.63 N ATOM 403 HZ1 LYS A 883 -6.826 60.598 2.229 1.00 0.00 H ATOM 404 HZ2 LYS A 883 -6.952 59.069 2.958 1.00 0.00 H ATOM 405 HZ3 LYS A 883 -5.503 59.949 3.074 1.00 0.00 H ATOM 406 H LYS A 883 -6.025 55.206 -2.359 1.00 0.00 H ATOM 407 N LEU A 884 -5.880 58.573 -4.444 1.00 27.98 N ATOM 408 CA LEU A 884 -4.671 59.180 -4.979 1.00 28.49 C ATOM 409 C LEU A 884 -3.988 59.939 -3.844 1.00 32.99 C ATOM 410 O LEU A 884 -4.673 60.597 -3.057 1.00 32.44 O ATOM 411 CB LEU A 884 -5.046 60.150 -6.117 1.00 28.27 C ATOM 412 CG LEU A 884 -5.533 59.521 -7.420 1.00 32.79 C ATOM 413 CD1 LEU A 884 -5.974 60.609 -8.398 1.00 32.63 C ATOM 414 CD2 LEU A 884 -4.441 58.680 -8.076 1.00 34.34 C ATOM 415 H LEU A 884 -6.800 59.033 -4.596 1.00 0.00 H ATOM 416 N GLN A 885 -2.651 59.845 -3.747 1.00 31.15 N ATOM 417 CA GLN A 885 -1.905 60.571 -2.708 1.00 31.80 C ATOM 418 C GLN A 885 -2.014 62.081 -2.974 1.00 36.11 C ATOM 419 O GLN A 885 -2.085 62.872 -2.036 1.00 35.37 O ATOM 420 CB GLN A 885 -0.426 60.133 -2.674 1.00 33.16 C ATOM 421 CG GLN A 885 -0.093 59.132 -1.572 1.00 59.28 C ATOM 422 CD GLN A 885 -0.280 59.674 -0.165 1.00 78.72 C ATOM 423 OE1 GLN A 885 -1.262 59.355 0.518 1.00 73.86 O ATOM 424 NE2 GLN A 885 0.663 60.487 0.305 1.00 69.43 N ATOM 425 HE22 GLN A 885 1.477 60.738 -0.291 1.00 0.00 H ATOM 426 HE21 GLN A 885 0.586 60.871 1.268 1.00 0.00 H ATOM 427 H GLN A 885 -2.133 59.246 -4.421 1.00 0.00 H ATOM 428 N HIS A 886 -2.039 62.462 -4.262 1.00 33.67 N ATOM 429 CA HIS A 886 -2.167 63.840 -4.713 1.00 35.14 C ATOM 430 C HIS A 886 -3.066 63.834 -5.939 1.00 41.21 C ATOM 431 O HIS A 886 -2.767 63.157 -6.920 1.00 40.11 O ATOM 432 CB HIS A 886 -0.785 64.456 -5.040 1.00 35.99 C ATOM 433 CG HIS A 886 0.137 64.513 -3.866 1.00 39.54 C ATOM 434 ND1 HIS A 886 -0.044 65.440 -2.848 1.00 41.93 N ATOM 435 CD2 HIS A 886 1.207 63.740 -3.568 1.00 41.99 C ATOM 436 CE1 HIS A 886 0.903 65.187 -1.955 1.00 41.55 C ATOM 437 NE2 HIS A 886 1.689 64.181 -2.348 1.00 42.17 N ATOM 438 H HIS A 886 -1.962 61.721 -4.987 1.00 0.00 H ATOM 439 N SER A 887 -4.163 64.577 -5.885 1.00 39.68 N ATOM 440 CA SER A 887 -5.077 64.627 -7.015 1.00 41.05 C ATOM 441 C SER A 887 -4.607 65.635 -8.067 1.00 45.67 C ATOM 442 O SER A 887 -4.291 66.780 -7.725 1.00 47.11 O ATOM 443 CB SER A 887 -6.481 65.008 -6.554 1.00 47.31 C ATOM 444 OG SER A 887 -7.097 63.960 -5.824 1.00 65.33 O ATOM 445 HG SER A 887 -8.003 64.243 -5.543 1.00 0.00 H ATOM 446 H SER A 887 -4.371 65.128 -5.028 1.00 0.00 H ATOM 447 N THR A 888 -4.552 65.193 -9.337 1.00 39.86 N ATOM 448 CA THR A 888 -4.296 66.000 -10.549 1.00 39.09 C ATOM 449 C THR A 888 -5.245 65.449 -11.598 1.00 42.11 C ATOM 450 O THR A 888 -5.668 64.299 -11.467 1.00 39.94 O ATOM 451 CB THR A 888 -2.843 65.904 -11.042 1.00 45.08 C ATOM 452 OG1 THR A 888 -2.523 64.563 -11.420 1.00 45.25 O ATOM 453 CG2 THR A 888 -1.835 66.448 -10.037 1.00 42.46 C ATOM 454 HG1 THR A 888 -1.585 64.525 -11.734 1.00 0.00 H ATOM 455 H THR A 888 -4.706 64.175 -9.481 1.00 0.00 H ATOM 456 N GLU A 889 -5.573 66.231 -12.645 1.00 38.51 N ATOM 457 CA GLU A 889 -6.449 65.761 -13.717 1.00 38.43 C ATOM 458 C GLU A 889 -5.880 64.513 -14.407 1.00 40.71 C ATOM 459 O GLU A 889 -6.647 63.588 -14.696 1.00 40.13 O ATOM 460 CB GLU A 889 -6.747 66.883 -14.742 1.00 40.53 C ATOM 461 CG GLU A 889 -7.876 66.560 -15.719 1.00 56.92 C ATOM 462 CD GLU A 889 -9.160 65.985 -15.139 1.00 81.63 C ATOM 463 OE1 GLU A 889 -9.725 66.596 -14.203 1.00 72.50 O ATOM 464 OE2 GLU A 889 -9.604 64.922 -15.632 1.00 76.46 O ATOM 465 H GLU A 889 -5.192 67.197 -12.692 1.00 0.00 H ATOM 466 N GLU A 890 -4.547 64.475 -14.649 1.00 37.88 N ATOM 467 CA GLU A 890 -3.885 63.330 -15.298 1.00 37.94 C ATOM 468 C GLU A 890 -3.979 62.060 -14.422 1.00 41.30 C ATOM 469 O GLU A 890 -4.274 60.975 -14.938 1.00 40.61 O ATOM 470 CB GLU A 890 -2.411 63.644 -15.638 1.00 39.60 C ATOM 471 H GLU A 890 -3.966 65.289 -14.364 1.00 0.00 H ATOM 472 N HIS A 891 -3.724 62.200 -13.107 1.00 38.59 N ATOM 473 CA HIS A 891 -3.815 61.053 -12.202 1.00 38.38 C ATOM 474 C HIS A 891 -5.245 60.587 -12.054 1.00 38.13 C ATOM 475 O HIS A 891 -5.460 59.380 -11.960 1.00 35.26 O ATOM 476 CB HIS A 891 -3.168 61.344 -10.845 1.00 40.47 C ATOM 477 CG HIS A 891 -1.675 61.478 -10.905 1.00 45.15 C ATOM 478 ND1 HIS A 891 -0.935 60.906 -11.939 1.00 47.79 N ATOM 479 CD2 HIS A 891 -0.815 62.010 -10.008 1.00 48.02 C ATOM 480 CE1 HIS A 891 0.334 61.138 -11.652 1.00 47.48 C ATOM 481 NE2 HIS A 891 0.458 61.785 -10.498 1.00 47.71 N ATOM 482 H HIS A 891 -3.460 63.133 -12.731 1.00 0.00 H ATOM 483 N LEU A 892 -6.227 61.523 -12.056 1.00 34.08 N ATOM 484 CA LEU A 892 -7.642 61.178 -11.967 1.00 34.80 C ATOM 485 C LEU A 892 -8.081 60.399 -13.191 1.00 36.94 C ATOM 486 O LEU A 892 -8.757 59.393 -13.031 1.00 34.43 O ATOM 487 CB LEU A 892 -8.553 62.399 -11.781 1.00 36.09 C ATOM 488 CG LEU A 892 -8.661 62.963 -10.353 1.00 43.26 C ATOM 489 CD1 LEU A 892 -9.272 64.352 -10.371 1.00 44.63 C ATOM 490 CD2 LEU A 892 -9.522 62.082 -9.461 1.00 47.50 C ATOM 491 H LEU A 892 -5.961 62.526 -12.124 1.00 0.00 H ATOM 492 N ARG A 893 -7.709 60.845 -14.420 1.00 33.75 N ATOM 493 CA ARG A 893 -8.092 60.098 -15.635 1.00 33.39 C ATOM 494 C ARG A 893 -7.484 58.679 -15.603 1.00 31.90 C ATOM 495 O ARG A 893 -8.173 57.715 -15.929 1.00 31.24 O ATOM 496 CB ARG A 893 -7.657 60.853 -16.908 1.00 35.11 C ATOM 497 H ARG A 893 -7.151 61.718 -14.505 1.00 0.00 H ATOM 498 N ASP A 894 -6.206 58.562 -15.193 1.00 28.32 N ATOM 499 CA ASP A 894 -5.518 57.259 -15.080 1.00 27.70 C ATOM 500 C ASP A 894 -6.212 56.374 -14.027 1.00 29.05 C ATOM 501 O ASP A 894 -6.405 55.185 -14.252 1.00 27.87 O ATOM 502 CB ASP A 894 -4.048 57.446 -14.677 1.00 29.64 C ATOM 503 CG ASP A 894 -3.163 57.946 -15.814 1.00 43.50 C ATOM 504 OD1 ASP A 894 -3.612 57.900 -16.992 1.00 44.58 O ATOM 505 OD2 ASP A 894 -2.010 58.318 -15.539 1.00 50.50 O ATOM 506 H ASP A 894 -5.681 59.425 -14.946 1.00 0.00 H ATOM 507 N PHE A 895 -6.613 56.977 -12.900 1.00 24.62 N ATOM 508 CA PHE A 895 -7.306 56.239 -11.828 1.00 23.98 C ATOM 509 C PHE A 895 -8.656 55.760 -12.289 1.00 28.17 C ATOM 510 O PHE A 895 -9.021 54.626 -12.014 1.00 26.90 O ATOM 511 CB PHE A 895 -7.403 57.098 -10.559 1.00 25.48 C ATOM 512 CG PHE A 895 -7.746 56.378 -9.275 1.00 26.21 C ATOM 513 CD1 PHE A 895 -7.311 55.077 -9.047 1.00 29.01 C ATOM 514 CD2 PHE A 895 -8.460 57.022 -8.272 1.00 28.64 C ATOM 515 CE1 PHE A 895 -7.657 54.410 -7.866 1.00 28.54 C ATOM 516 CE2 PHE A 895 -8.766 56.377 -7.080 1.00 31.25 C ATOM 517 CZ PHE A 895 -8.361 55.072 -6.882 1.00 28.15 C ATOM 518 H PHE A 895 -6.431 57.994 -12.778 1.00 0.00 H ATOM 519 N GLU A 896 -9.387 56.573 -13.066 1.00 26.03 N ATOM 520 CA GLU A 896 -10.675 56.130 -13.593 1.00 25.76 C ATOM 521 C GLU A 896 -10.488 54.937 -14.518 1.00 26.87 C ATOM 522 O GLU A 896 -11.309 54.036 -14.492 1.00 24.75 O ATOM 523 CB GLU A 896 -11.392 57.267 -14.348 1.00 27.97 C ATOM 524 CG GLU A 896 -11.877 58.323 -13.376 1.00 34.08 C ATOM 525 CD GLU A 896 -12.512 59.571 -13.953 1.00 65.16 C ATOM 526 OE1 GLU A 896 -12.337 59.845 -15.164 1.00 55.05 O ATOM 527 OE2 GLU A 896 -13.042 60.358 -13.138 1.00 66.66 O ATOM 528 H GLU A 896 -9.035 57.524 -13.295 1.00 0.00 H ATOM 529 N ARG A 897 -9.413 54.915 -15.330 1.00 24.77 N ATOM 530 CA ARG A 897 -9.147 53.785 -16.245 1.00 24.36 C ATOM 531 C ARG A 897 -8.802 52.517 -15.429 1.00 25.20 C ATOM 532 O ARG A 897 -9.267 51.413 -15.749 1.00 24.34 O ATOM 533 CB ARG A 897 -8.002 54.144 -17.224 1.00 28.39 C ATOM 534 CG ARG A 897 -8.443 55.174 -18.274 1.00 42.61 C ATOM 535 CD ARG A 897 -7.469 55.291 -19.431 1.00 56.43 C ATOM 536 NE ARG A 897 -6.363 56.210 -19.156 1.00 72.46 N ATOM 537 CZ ARG A 897 -5.264 56.300 -19.905 1.00 96.08 C ATOM 538 NH1 ARG A 897 -5.111 55.520 -20.971 1.00 82.64 N ATOM 539 NH2 ARG A 897 -4.313 57.167 -19.595 1.00 88.15 N ATOM 540 HE ARG A 897 -6.439 56.831 -18.325 1.00 0.00 H ATOM 541 HH12 ARG A 897 -4.251 55.595 -21.551 1.00 0.00 H ATOM 542 HH11 ARG A 897 -5.851 54.835 -21.225 1.00 0.00 H ATOM 543 HH22 ARG A 897 -3.458 57.233 -20.183 1.00 0.00 H ATOM 544 HH21 ARG A 897 -4.421 57.782 -18.764 1.00 0.00 H ATOM 545 H ARG A 897 -8.751 55.717 -15.312 1.00 0.00 H ATOM 546 N GLU A 898 -8.022 52.698 -14.361 1.00 23.36 N ATOM 547 CA GLU A 898 -7.635 51.600 -13.451 1.00 22.76 C ATOM 548 C GLU A 898 -8.890 50.982 -12.812 1.00 25.07 C ATOM 549 O GLU A 898 -9.027 49.753 -12.750 1.00 24.33 O ATOM 550 CB GLU A 898 -6.698 52.167 -12.368 1.00 23.95 C ATOM 551 CG GLU A 898 -6.397 51.176 -11.254 1.00 28.09 C ATOM 552 CD GLU A 898 -5.562 51.755 -10.138 1.00 32.34 C ATOM 553 OE1 GLU A 898 -5.032 52.876 -10.297 1.00 24.91 O ATOM 554 OE2 GLU A 898 -5.438 51.077 -9.097 1.00 31.84 O ATOM 555 H GLU A 898 -7.670 53.656 -14.160 1.00 0.00 H ATOM 556 N ILE A 899 -9.824 51.837 -12.365 1.00 22.49 N ATOM 557 CA ILE A 899 -11.088 51.364 -11.785 1.00 22.27 C ATOM 558 C ILE A 899 -11.872 50.528 -12.778 1.00 26.10 C ATOM 559 O ILE A 899 -12.352 49.459 -12.414 1.00 25.82 O ATOM 560 CB ILE A 899 -11.915 52.512 -11.178 1.00 24.82 C ATOM 561 CG1 ILE A 899 -11.143 53.107 -9.982 1.00 23.94 C ATOM 562 CG2 ILE A 899 -13.337 52.047 -10.764 1.00 25.58 C ATOM 563 CD1 ILE A 899 -11.672 54.451 -9.471 1.00 27.80 C ATOM 564 H ILE A 899 -9.648 52.860 -12.431 1.00 0.00 H ATOM 565 N GLU A 900 -11.980 50.995 -14.039 1.00 23.54 N ATOM 566 CA GLU A 900 -12.702 50.285 -15.084 1.00 23.16 C ATOM 567 C GLU A 900 -12.033 48.946 -15.376 1.00 25.57 C ATOM 568 O GLU A 900 -12.712 47.937 -15.537 1.00 23.97 O ATOM 569 CB GLU A 900 -12.786 51.151 -16.356 1.00 25.26 C ATOM 570 CG GLU A 900 -13.800 52.278 -16.245 1.00 33.60 C ATOM 571 CD GLU A 900 -15.189 51.864 -15.781 1.00 56.09 C ATOM 572 OE1 GLU A 900 -15.669 52.437 -14.775 1.00 53.58 O ATOM 573 OE2 GLU A 900 -15.761 50.918 -16.373 1.00 46.12 O ATOM 574 H GLU A 900 -11.528 51.901 -14.274 1.00 0.00 H ATOM 575 N ILE A 901 -10.688 48.934 -15.362 1.00 22.74 N ATOM 576 CA ILE A 901 -9.939 47.694 -15.574 1.00 21.57 C ATOM 577 C ILE A 901 -10.288 46.692 -14.452 1.00 23.65 C ATOM 578 O ILE A 901 -10.688 45.569 -14.751 1.00 24.26 O ATOM 579 CB ILE A 901 -8.409 48.004 -15.685 1.00 23.47 C ATOM 580 CG1 ILE A 901 -8.089 48.552 -17.105 1.00 24.00 C ATOM 581 CG2 ILE A 901 -7.570 46.741 -15.404 1.00 22.99 C ATOM 582 CD1 ILE A 901 -6.719 49.256 -17.260 1.00 26.67 C ATOM 583 H ILE A 901 -10.171 49.821 -15.198 1.00 0.00 H ATOM 584 N LEU A 902 -10.173 47.100 -13.182 1.00 21.93 N ATOM 585 CA LEU A 902 -10.455 46.182 -12.054 1.00 20.94 C ATOM 586 C LEU A 902 -11.877 45.667 -12.035 1.00 24.31 C ATOM 587 O LEU A 902 -12.097 44.475 -11.815 1.00 22.97 O ATOM 588 CB LEU A 902 -10.085 46.794 -10.703 1.00 20.23 C ATOM 589 CG LEU A 902 -10.133 45.808 -9.497 1.00 23.52 C ATOM 590 CD1 LEU A 902 -9.187 44.628 -9.693 1.00 23.90 C ATOM 591 CD2 LEU A 902 -9.847 46.535 -8.196 1.00 24.18 C ATOM 592 H LEU A 902 -9.881 48.078 -12.984 1.00 0.00 H ATOM 593 N LYS A 903 -12.844 46.556 -12.274 1.00 24.01 N ATOM 594 CA LYS A 903 -14.253 46.191 -12.316 1.00 24.55 C ATOM 595 C LYS A 903 -14.504 45.122 -13.390 1.00 26.76 C ATOM 596 O LYS A 903 -15.335 44.237 -13.173 1.00 27.94 O ATOM 597 CB LYS A 903 -15.097 47.465 -12.569 1.00 28.55 C ATOM 598 CG LYS A 903 -16.608 47.239 -12.735 1.00 39.73 C ATOM 599 CD LYS A 903 -17.400 48.549 -12.597 1.00 49.36 C ATOM 600 CE LYS A 903 -17.225 49.515 -13.743 1.00 69.30 C ATOM 601 NZ LYS A 903 -17.915 50.812 -13.491 1.00 74.65 N ATOM 602 HZ1 LYS A 903 -18.933 50.642 -13.361 1.00 0.00 H ATOM 603 HZ2 LYS A 903 -17.523 51.251 -12.633 1.00 0.00 H ATOM 604 HZ3 LYS A 903 -17.769 51.445 -14.303 1.00 0.00 H ATOM 605 H LYS A 903 -12.580 47.549 -12.437 1.00 0.00 H ATOM 606 N SER A 904 -13.747 45.149 -14.511 1.00 21.95 N ATOM 607 CA SER A 904 -13.901 44.190 -15.600 1.00 22.42 C ATOM 608 C SER A 904 -13.302 42.807 -15.310 1.00 26.53 C ATOM 609 O SER A 904 -13.535 41.874 -16.069 1.00 26.11 O ATOM 610 CB SER A 904 -13.313 44.746 -16.896 1.00 25.53 C ATOM 611 OG SER A 904 -11.894 44.670 -16.871 1.00 24.35 O ATOM 612 HG SER A 904 -11.530 45.034 -17.717 1.00 0.00 H ATOM 613 H SER A 904 -13.021 45.888 -14.601 1.00 0.00 H ATOM 614 N LEU A 905 -12.520 42.672 -14.217 1.00 23.06 N ATOM 615 CA LEU A 905 -11.866 41.406 -13.903 1.00 21.58 C ATOM 616 C LEU A 905 -12.604 40.663 -12.805 1.00 26.30 C ATOM 617 O LEU A 905 -12.899 41.242 -11.761 1.00 26.62 O ATOM 618 CB LEU A 905 -10.402 41.682 -13.453 1.00 20.37 C ATOM 619 CG LEU A 905 -9.501 42.400 -14.480 1.00 21.90 C ATOM 620 CD1 LEU A 905 -8.225 42.960 -13.767 1.00 21.72 C ATOM 621 CD2 LEU A 905 -9.107 41.448 -15.647 1.00 20.72 C ATOM 622 H LEU A 905 -12.381 43.487 -13.586 1.00 0.00 H ATOM 623 N GLN A 906 -12.896 39.375 -13.040 1.00 24.08 N ATOM 624 CA GLN A 906 -13.519 38.498 -12.046 1.00 23.89 C ATOM 625 C GLN A 906 -12.741 37.192 -12.092 1.00 25.89 C ATOM 626 O GLN A 906 -12.873 36.405 -13.041 1.00 25.94 O ATOM 627 CB GLN A 906 -15.021 38.261 -12.351 1.00 27.00 C ATOM 628 CG GLN A 906 -15.878 39.517 -12.221 1.00 45.41 C ATOM 629 CD GLN A 906 -17.245 39.295 -12.811 1.00 81.09 C ATOM 630 OE1 GLN A 906 -18.192 38.913 -12.111 1.00 78.74 O ATOM 631 NE2 GLN A 906 -17.367 39.514 -14.120 1.00 76.50 N ATOM 632 HE22 GLN A 906 -16.546 39.835 -14.672 1.00 0.00 H ATOM 633 HE21 GLN A 906 -18.283 39.364 -14.589 1.00 0.00 H ATOM 634 H GLN A 906 -12.669 38.979 -13.975 1.00 0.00 H ATOM 635 N HIS A 907 -11.849 36.991 -11.120 1.00 21.77 N ATOM 636 CA HIS A 907 -11.011 35.791 -11.103 1.00 19.77 C ATOM 637 C HIS A 907 -10.627 35.523 -9.671 1.00 22.85 C ATOM 638 O HIS A 907 -10.428 36.469 -8.887 1.00 20.51 O ATOM 639 CB HIS A 907 -9.753 36.008 -11.982 1.00 19.39 C ATOM 640 CG HIS A 907 -8.943 34.758 -12.218 1.00 20.74 C ATOM 641 ND1 HIS A 907 -7.989 34.329 -11.316 1.00 21.53 N ATOM 642 CD2 HIS A 907 -8.949 33.918 -13.278 1.00 23.27 C ATOM 643 CE1 HIS A 907 -7.455 33.233 -11.841 1.00 22.28 C ATOM 644 NE2 HIS A 907 -8.018 32.942 -13.022 1.00 22.99 N ATOM 645 H HIS A 907 -11.748 37.697 -10.363 1.00 0.00 H ATOM 646 N ASP A 908 -10.530 34.227 -9.299 1.00 21.51 N ATOM 647 CA ASP A 908 -10.155 33.870 -7.924 1.00 21.32 C ATOM 648 C ASP A 908 -8.808 34.428 -7.489 1.00 21.76 C ATOM 649 O ASP A 908 -8.604 34.592 -6.291 1.00 21.86 O ATOM 650 CB ASP A 908 -10.068 32.334 -7.797 1.00 23.89 C ATOM 651 CG ASP A 908 -11.430 31.664 -7.826 1.00 34.65 C ATOM 652 OD1 ASP A 908 -12.462 32.393 -7.802 1.00 33.04 O ATOM 653 OD2 ASP A 908 -11.469 30.431 -7.908 1.00 38.04 O ATOM 654 H ASP A 908 -10.723 33.476 -9.992 1.00 0.00 H ATOM 655 N ASN A 909 -7.890 34.712 -8.451 1.00 18.92 N ATOM 656 CA ASN A 909 -6.547 35.208 -8.125 1.00 18.71 C ATOM 657 C ASN A 909 -6.354 36.678 -8.500 1.00 20.07 C ATOM 658 O ASN A 909 -5.239 37.112 -8.799 1.00 19.69 O ATOM 659 CB ASN A 909 -5.478 34.311 -8.733 1.00 19.51 C ATOM 660 CG ASN A 909 -5.673 32.863 -8.334 1.00 28.25 C ATOM 661 OD1 ASN A 909 -5.972 32.020 -9.171 1.00 24.31 O ATOM 662 ND2 ASN A 909 -5.588 32.570 -7.052 1.00 18.92 N ATOM 663 HD22 ASN A 909 -5.332 33.308 -6.366 1.00 0.00 H ATOM 664 HD21 ASN A 909 -5.777 31.601 -6.727 1.00 0.00 H ATOM 665 H ASN A 909 -8.147 34.574 -9.449 1.00 0.00 H ATOM 666 N ILE A 910 -7.457 37.431 -8.463 1.00 17.99 N ATOM 667 CA ILE A 910 -7.458 38.874 -8.725 1.00 17.77 C ATOM 668 C ILE A 910 -8.278 39.522 -7.621 1.00 20.33 C ATOM 669 O ILE A 910 -9.434 39.126 -7.391 1.00 17.99 O ATOM 670 CB ILE A 910 -7.943 39.252 -10.142 1.00 20.67 C ATOM 671 CG1 ILE A 910 -6.868 38.810 -11.202 1.00 22.74 C ATOM 672 CG2 ILE A 910 -8.152 40.807 -10.213 1.00 19.11 C ATOM 673 CD1 ILE A 910 -7.268 39.040 -12.611 1.00 33.34 C ATOM 674 H ILE A 910 -8.361 36.970 -8.237 1.00 0.00 H ATOM 675 N VAL A 911 -7.696 40.525 -6.936 1.00 16.71 N ATOM 676 CA VAL A 911 -8.413 41.207 -5.839 1.00 16.50 C ATOM 677 C VAL A 911 -9.799 41.698 -6.330 1.00 20.70 C ATOM 678 O VAL A 911 -9.911 42.240 -7.431 1.00 19.72 O ATOM 679 CB VAL A 911 -7.561 42.334 -5.188 1.00 18.42 C ATOM 680 CG1 VAL A 911 -7.306 43.495 -6.171 1.00 18.30 C ATOM 681 CG2 VAL A 911 -8.213 42.838 -3.884 1.00 17.61 C ATOM 682 H VAL A 911 -6.730 40.823 -7.182 1.00 0.00 H ATOM 683 N LYS A 912 -10.831 41.492 -5.512 1.00 19.32 N ATOM 684 CA LYS A 912 -12.190 41.859 -5.900 1.00 20.28 C ATOM 685 C LYS A 912 -12.494 43.324 -5.791 1.00 22.88 C ATOM 686 O LYS A 912 -12.325 43.925 -4.742 1.00 19.58 O ATOM 687 CB LYS A 912 -13.222 41.118 -5.038 1.00 23.08 C ATOM 688 CG LYS A 912 -13.447 39.678 -5.444 1.00 32.42 C ATOM 689 CD LYS A 912 -14.614 39.096 -4.620 1.00 38.78 C ATOM 690 CE LYS A 912 -15.090 37.765 -5.138 1.00 43.87 C ATOM 691 NZ LYS A 912 -14.050 36.723 -4.983 1.00 49.35 N ATOM 692 HZ1 LYS A 912 -13.201 37.001 -5.515 1.00 0.00 H ATOM 693 HZ2 LYS A 912 -13.811 36.620 -3.976 1.00 0.00 H ATOM 694 HZ3 LYS A 912 -14.410 35.819 -5.349 1.00 0.00 H ATOM 695 H LYS A 912 -10.665 41.062 -4.580 1.00 0.00 H ATOM 696 N TYR A 913 -13.079 43.850 -6.862 1.00 21.93 N ATOM 697 CA TYR A 913 -13.614 45.197 -6.924 1.00 21.95 C ATOM 698 C TYR A 913 -14.949 45.163 -6.123 1.00 24.26 C ATOM 699 O TYR A 913 -15.756 44.248 -6.292 1.00 24.46 O ATOM 700 CB TYR A 913 -13.894 45.533 -8.412 1.00 23.60 C ATOM 701 CG TYR A 913 -14.747 46.760 -8.609 1.00 25.62 C ATOM 702 CD1 TYR A 913 -14.189 48.029 -8.575 1.00 27.99 C ATOM 703 CD2 TYR A 913 -16.121 46.651 -8.817 1.00 28.08 C ATOM 704 CE1 TYR A 913 -14.978 49.170 -8.735 1.00 29.61 C ATOM 705 CE2 TYR A 913 -16.923 47.782 -8.971 1.00 29.13 C ATOM 706 CZ TYR A 913 -16.342 49.035 -8.953 1.00 34.05 C ATOM 707 OH TYR A 913 -17.133 50.142 -9.118 1.00 33.32 O ATOM 708 HH TYR A 913 -17.588 50.093 -9.996 1.00 0.00 H ATOM 709 H TYR A 913 -13.159 43.256 -7.712 1.00 0.00 H ATOM 710 N LYS A 914 -15.186 46.170 -5.285 1.00 21.15 N ATOM 711 CA LYS A 914 -16.464 46.271 -4.552 1.00 22.48 C ATOM 712 C LYS A 914 -17.257 47.497 -5.000 1.00 28.19 C ATOM 713 O LYS A 914 -18.490 47.436 -5.082 1.00 26.75 O ATOM 714 CB LYS A 914 -16.261 46.290 -3.039 1.00 24.85 C ATOM 715 CG LYS A 914 -15.920 44.903 -2.481 1.00 26.77 C ATOM 716 CD LYS A 914 -15.620 44.966 -0.994 1.00 33.70 C ATOM 717 CE LYS A 914 -16.734 44.494 -0.096 1.00 49.97 C ATOM 718 NZ LYS A 914 -17.064 43.065 -0.283 1.00 45.15 N ATOM 719 HZ1 LYS A 914 -17.362 42.905 -1.266 1.00 0.00 H ATOM 720 HZ2 LYS A 914 -16.225 42.487 -0.076 1.00 0.00 H ATOM 721 HZ3 LYS A 914 -17.836 42.802 0.362 1.00 0.00 H ATOM 722 H LYS A 914 -14.458 46.899 -5.144 1.00 0.00 H ATOM 723 N GLY A 915 -16.565 48.583 -5.297 1.00 27.42 N ATOM 724 CA GLY A 915 -17.230 49.796 -5.757 1.00 27.16 C ATOM 725 C GLY A 915 -16.376 51.031 -5.699 1.00 29.97 C ATOM 726 O GLY A 915 -15.145 50.963 -5.687 1.00 27.02 O ATOM 727 H GLY A 915 -15.529 48.572 -5.201 1.00 0.00 H ATOM 728 N VAL A 916 -17.051 52.185 -5.702 1.00 26.63 N ATOM 729 CA VAL A 916 -16.390 53.480 -5.674 1.00 27.78 C ATOM 730 C VAL A 916 -17.056 54.378 -4.648 1.00 35.54 C ATOM 731 O VAL A 916 -18.211 54.164 -4.292 1.00 35.87 O ATOM 732 CB VAL A 916 -16.352 54.178 -7.074 1.00 32.15 C ATOM 733 CG1 VAL A 916 -15.377 53.489 -8.031 1.00 31.48 C ATOM 734 CG2 VAL A 916 -17.756 54.278 -7.687 1.00 32.44 C ATOM 735 H VAL A 916 -18.090 52.155 -5.725 1.00 0.00 H ATOM 736 N CYS A 917 -16.323 55.374 -4.188 1.00 36.23 N ATOM 737 CA CYS A 917 -16.823 56.377 -3.272 1.00 39.63 C ATOM 738 C CYS A 917 -16.479 57.719 -3.914 1.00 43.70 C ATOM 739 O CYS A 917 -15.311 57.990 -4.205 1.00 41.82 O ATOM 740 CB CYS A 917 -16.202 56.217 -1.888 1.00 42.81 C ATOM 741 SG CYS A 917 -16.669 57.507 -0.712 1.00 48.94 S ATOM 742 H CYS A 917 -15.333 55.442 -4.500 1.00 0.00 H ATOM 743 N TYR A 918 -17.525 58.492 -4.265 1.00 42.26 N ATOM 744 CA TYR A 918 -17.391 59.805 -4.909 1.00 71.87 C ATOM 745 C TYR A 918 -17.564 60.919 -3.888 1.00 90.03 C ATOM 746 O TYR A 918 -18.493 60.866 -3.085 1.00 53.39 O ATOM 747 CB TYR A 918 -18.421 59.961 -6.041 1.00 73.19 C ATOM 748 CG TYR A 918 -17.949 59.448 -7.381 1.00 74.79 C ATOM 749 CD1 TYR A 918 -17.142 60.230 -8.203 1.00 76.82 C ATOM 750 CD2 TYR A 918 -18.352 58.203 -7.855 1.00 75.65 C ATOM 751 CE1 TYR A 918 -16.724 59.774 -9.453 1.00 78.16 C ATOM 752 CE2 TYR A 918 -17.933 57.731 -9.101 1.00 76.67 C ATOM 753 CZ TYR A 918 -17.120 58.523 -9.899 1.00 84.47 C ATOM 754 OH TYR A 918 -16.701 58.072 -11.127 1.00 84.65 O ATOM 755 HH TYR A 918 -16.133 58.761 -11.554 1.00 0.00 H ATOM 756 H TYR A 918 -18.483 58.138 -4.068 1.00 0.00 H TER 757 TYR A 918 ATOM 758 N ASN A 924 -12.034 63.586 -5.130 1.00 43.76 N ATOM 759 CA ASN A 924 -11.775 62.703 -3.998 1.00 43.34 C ATOM 760 C ASN A 924 -12.227 61.241 -4.301 1.00 43.70 C ATOM 761 O ASN A 924 -12.641 60.525 -3.378 1.00 43.27 O ATOM 762 CB ASN A 924 -12.453 63.248 -2.722 1.00 47.26 C ATOM 763 CG ASN A 924 -11.525 63.947 -1.740 1.00 84.07 C ATOM 764 OD1 ASN A 924 -11.434 63.582 -0.558 1.00 86.34 O ATOM 765 ND2 ASN A 924 -10.823 64.965 -2.194 1.00 73.90 N ATOM 766 HD22 ASN A 924 -10.913 65.256 -3.188 1.00 0.00 H ATOM 767 HD21 ASN A 924 -10.179 65.477 -1.558 1.00 0.00 H ATOM 768 HN3 ASN A 924 -13.053 63.591 -5.338 1.00 0.00 H ATOM 769 HN2 ASN A 924 -11.511 63.244 -5.962 1.00 0.00 H ATOM 770 HN1 ASN A 924 -11.722 64.550 -4.895 1.00 0.00 H ATOM 771 N LEU A 925 -12.097 60.803 -5.574 1.00 35.61 N ATOM 772 CA LEU A 925 -12.494 59.460 -5.999 1.00 33.64 C ATOM 773 C LEU A 925 -11.762 58.373 -5.209 1.00 33.82 C ATOM 774 O LEU A 925 -10.557 58.461 -4.989 1.00 33.56 O ATOM 775 CB LEU A 925 -12.283 59.289 -7.508 1.00 33.58 C ATOM 776 CG LEU A 925 -12.670 57.949 -8.173 1.00 37.28 C ATOM 777 CD1 LEU A 925 -14.134 57.602 -7.963 1.00 36.87 C ATOM 778 CD2 LEU A 925 -12.365 57.986 -9.647 1.00 38.86 C ATOM 779 H LEU A 925 -11.697 61.450 -6.283 1.00 0.00 H ATOM 780 N LYS A 926 -12.502 57.381 -4.739 1.00 30.25 N ATOM 781 CA LYS A 926 -11.886 56.278 -4.012 1.00 28.40 C ATOM 782 C LYS A 926 -12.339 54.967 -4.617 1.00 29.46 C ATOM 783 O LYS A 926 -13.491 54.846 -5.007 1.00 27.92 O ATOM 784 CB LYS A 926 -12.224 56.322 -2.516 1.00 30.08 C ATOM 785 CG LYS A 926 -11.585 57.505 -1.783 1.00 39.14 C ATOM 786 CD LYS A 926 -12.132 57.627 -0.389 1.00 48.00 C ATOM 787 CE LYS A 926 -11.415 58.696 0.394 1.00 62.13 C ATOM 788 NZ LYS A 926 -11.790 58.663 1.837 1.00 79.57 N ATOM 789 HZ1 LYS A 926 -12.814 58.817 1.931 1.00 0.00 H ATOM 790 HZ2 LYS A 926 -11.539 57.737 2.238 1.00 0.00 H ATOM 791 HZ3 LYS A 926 -11.277 59.412 2.344 1.00 0.00 H ATOM 792 H LYS A 926 -13.531 57.389 -4.890 1.00 0.00 H ATOM 793 N LEU A 927 -11.433 53.978 -4.669 1.00 24.33 N ATOM 794 CA LEU A 927 -11.763 52.649 -5.177 1.00 22.38 C ATOM 795 C LEU A 927 -11.915 51.752 -3.945 1.00 23.79 C ATOM 796 O LEU A 927 -10.999 51.693 -3.113 1.00 22.83 O ATOM 797 CB LEU A 927 -10.608 52.170 -6.093 1.00 22.68 C ATOM 798 CG LEU A 927 -10.485 50.659 -6.381 1.00 24.48 C ATOM 799 CD1 LEU A 927 -11.688 50.142 -7.138 1.00 24.83 C ATOM 800 CD2 LEU A 927 -9.251 50.389 -7.223 1.00 24.38 C ATOM 801 H LEU A 927 -10.465 54.164 -4.337 1.00 0.00 H ATOM 802 N ILE A 928 -13.045 51.025 -3.850 1.00 20.15 N ATOM 803 CA ILE A 928 -13.313 50.120 -2.726 1.00 19.71 C ATOM 804 C ILE A 928 -13.065 48.708 -3.192 1.00 22.84 C ATOM 805 O ILE A 928 -13.605 48.289 -4.211 1.00 23.65 O ATOM 806 CB ILE A 928 -14.751 50.272 -2.170 1.00 22.66 C ATOM 807 CG1 ILE A 928 -15.149 51.786 -1.996 1.00 23.74 C ATOM 808 CG2 ILE A 928 -14.885 49.490 -0.852 1.00 21.26 C ATOM 809 CD1 ILE A 928 -14.298 52.601 -1.067 1.00 26.65 C ATOM 810 H ILE A 928 -13.757 51.108 -4.604 1.00 0.00 H ATOM 811 N MET A 929 -12.235 47.978 -2.437 1.00 18.38 N ATOM 812 CA MET A 929 -11.926 46.591 -2.801 1.00 16.54 C ATOM 813 C MET A 929 -12.164 45.735 -1.600 1.00 18.77 C ATOM 814 O MET A 929 -12.274 46.241 -0.481 1.00 18.91 O ATOM 815 CB MET A 929 -10.435 46.468 -3.157 1.00 17.12 C ATOM 816 CG MET A 929 -10.047 47.081 -4.522 1.00 18.80 C ATOM 817 SD MET A 929 -8.256 47.196 -4.734 1.00 22.88 S ATOM 818 CE MET A 929 -7.919 48.643 -3.679 1.00 19.28 C ATOM 819 H MET A 929 -11.807 48.397 -1.587 1.00 0.00 H ATOM 820 N GLU A 930 -12.197 44.412 -1.803 1.00 18.17 N ATOM 821 CA GLU A 930 -12.258 43.522 -0.640 1.00 17.58 C ATOM 822 C GLU A 930 -10.961 43.698 0.159 1.00 19.27 C ATOM 823 O GLU A 930 -9.906 44.063 -0.418 1.00 19.19 O ATOM 824 CB GLU A 930 -12.388 42.051 -1.096 1.00 18.99 C ATOM 825 CG GLU A 930 -11.165 41.571 -1.872 1.00 20.15 C ATOM 826 CD GLU A 930 -11.187 40.102 -2.261 1.00 26.46 C ATOM 827 OE1 GLU A 930 -10.517 39.729 -3.243 1.00 21.48 O ATOM 828 OE2 GLU A 930 -11.899 39.327 -1.593 1.00 23.00 O ATOM 829 H GLU A 930 -12.180 44.023 -2.767 1.00 0.00 H ATOM 830 N TYR A 931 -11.042 43.415 1.458 1.00 16.99 N ATOM 831 CA TYR A 931 -9.889 43.454 2.350 1.00 17.89 C ATOM 832 C TYR A 931 -9.310 42.036 2.458 1.00 21.34 C ATOM 833 O TYR A 931 -10.074 41.095 2.707 1.00 18.88 O ATOM 834 CB TYR A 931 -10.321 43.984 3.731 1.00 18.17 C ATOM 835 CG TYR A 931 -9.216 43.854 4.745 1.00 17.15 C ATOM 836 CD1 TYR A 931 -8.063 44.622 4.642 1.00 17.62 C ATOM 837 CD2 TYR A 931 -9.282 42.897 5.750 1.00 19.55 C ATOM 838 CE1 TYR A 931 -7.008 44.453 5.519 1.00 18.94 C ATOM 839 CE2 TYR A 931 -8.240 42.739 6.661 1.00 20.42 C ATOM 840 CZ TYR A 931 -7.086 43.473 6.498 1.00 21.14 C ATOM 841 OH TYR A 931 -6.034 43.280 7.347 1.00 22.83 O ATOM 842 HH TYR A 931 -5.732 42.339 7.288 1.00 0.00 H ATOM 843 H TYR A 931 -11.968 43.155 1.853 1.00 0.00 H ATOM 844 N LEU A 932 -7.983 41.886 2.277 1.00 18.19 N ATOM 845 CA LEU A 932 -7.292 40.572 2.344 1.00 18.23 C ATOM 846 C LEU A 932 -6.425 40.593 3.594 1.00 20.70 C ATOM 847 O LEU A 932 -5.582 41.470 3.737 1.00 20.08 O ATOM 848 CB LEU A 932 -6.495 40.298 1.057 1.00 18.49 C ATOM 849 CG LEU A 932 -7.391 40.178 -0.214 1.00 22.46 C ATOM 850 CD1 LEU A 932 -6.535 39.906 -1.443 1.00 22.98 C ATOM 851 CD2 LEU A 932 -8.518 39.098 -0.038 1.00 23.35 C ATOM 852 H LEU A 932 -7.413 42.733 2.080 1.00 0.00 H ATOM 853 N PRO A 933 -6.703 39.695 4.565 1.00 18.43 N ATOM 854 CA PRO A 933 -6.108 39.868 5.906 1.00 17.67 C ATOM 855 C PRO A 933 -4.626 39.612 6.063 1.00 18.56 C ATOM 856 O PRO A 933 -4.049 40.052 7.077 1.00 18.82 O ATOM 857 CB PRO A 933 -6.930 38.909 6.778 1.00 18.83 C ATOM 858 CG PRO A 933 -7.429 37.871 5.843 1.00 23.08 C ATOM 859 CD PRO A 933 -7.719 38.610 4.558 1.00 19.30 C ATOM 860 N TYR A 934 -3.993 38.939 5.092 1.00 18.89 N ATOM 861 CA TYR A 934 -2.570 38.641 5.227 1.00 18.60 C ATOM 862 C TYR A 934 -1.630 39.627 4.529 1.00 23.47 C ATOM 863 O TYR A 934 -0.413 39.503 4.668 1.00 24.61 O ATOM 864 CB TYR A 934 -2.280 37.181 4.807 1.00 19.96 C ATOM 865 CG TYR A 934 -2.864 36.167 5.764 1.00 20.15 C ATOM 866 CD1 TYR A 934 -4.156 35.683 5.594 1.00 22.08 C ATOM 867 CD2 TYR A 934 -2.131 35.703 6.848 1.00 23.23 C ATOM 868 CE1 TYR A 934 -4.707 34.760 6.479 1.00 25.20 C ATOM 869 CE2 TYR A 934 -2.665 34.768 7.732 1.00 24.01 C ATOM 870 CZ TYR A 934 -3.941 34.284 7.531 1.00 29.63 C ATOM 871 OH TYR A 934 -4.457 33.379 8.423 1.00 30.64 O ATOM 872 HH TYR A 934 -5.374 33.129 8.145 1.00 0.00 H ATOM 873 H TYR A 934 -4.513 38.630 4.246 1.00 0.00 H ATOM 874 N GLY A 935 -2.157 40.661 3.880 1.00 19.79 N ATOM 875 CA GLY A 935 -1.303 41.674 3.274 1.00 19.50 C ATOM 876 C GLY A 935 -0.494 41.205 2.088 1.00 22.02 C ATOM 877 O GLY A 935 -0.932 40.289 1.392 1.00 21.01 O ATOM 878 H GLY A 935 -3.191 40.748 3.804 1.00 0.00 H ATOM 879 N SER A 936 0.654 41.873 1.813 1.00 20.37 N ATOM 880 CA SER A 936 1.414 41.522 0.607 1.00 19.59 C ATOM 881 C SER A 936 2.116 40.189 0.750 1.00 21.33 C ATOM 882 O SER A 936 2.542 39.813 1.844 1.00 21.60 O ATOM 883 CB SER A 936 2.414 42.601 0.203 1.00 23.90 C ATOM 884 OG SER A 936 3.487 42.622 1.132 1.00 25.48 O ATOM 885 HG SER A 936 4.136 43.322 0.869 1.00 0.00 H ATOM 886 H SER A 936 0.991 42.624 2.448 1.00 0.00 H ATOM 887 N LEU A 937 2.287 39.510 -0.375 1.00 19.13 N ATOM 888 CA LEU A 937 3.031 38.262 -0.405 1.00 19.26 C ATOM 889 C LEU A 937 4.504 38.546 -0.038 1.00 22.30 C ATOM 890 O LEU A 937 5.124 37.719 0.636 1.00 21.66 O ATOM 891 CB LEU A 937 2.891 37.642 -1.815 1.00 19.22 C ATOM 892 CG LEU A 937 3.650 36.323 -2.065 1.00 23.41 C ATOM 893 CD1 LEU A 937 3.305 35.259 -1.009 1.00 22.59 C ATOM 894 CD2 LEU A 937 3.323 35.804 -3.484 1.00 23.94 C ATOM 895 H LEU A 937 1.879 39.879 -1.258 1.00 0.00 H ATOM 896 N ARG A 938 5.038 39.716 -0.414 1.00 20.67 N ATOM 897 CA ARG A 938 6.411 40.096 -0.048 1.00 21.31 C ATOM 898 C ARG A 938 6.567 40.073 1.505 1.00 26.23 C ATOM 899 O ARG A 938 7.503 39.467 2.031 1.00 23.90 O ATOM 900 CB ARG A 938 6.758 41.485 -0.599 1.00 19.91 C ATOM 901 CG ARG A 938 8.247 41.796 -0.453 1.00 25.49 C ATOM 902 CD ARG A 938 8.668 43.151 -1.004 1.00 33.25 C ATOM 903 NE ARG A 938 9.726 43.727 -0.166 1.00 61.93 N ATOM 904 CZ ARG A 938 11.007 43.813 -0.513 1.00 78.42 C ATOM 905 NH1 ARG A 938 11.405 43.417 -1.714 1.00 67.05 N ATOM 906 NH2 ARG A 938 11.897 44.321 0.330 1.00 62.82 N ATOM 907 HE ARG A 938 9.454 44.095 0.768 1.00 0.00 H ATOM 908 HH12 ARG A 938 12.408 43.487 -1.979 1.00 0.00 H ATOM 909 HH11 ARG A 938 10.714 43.036 -2.391 1.00 0.00 H ATOM 910 HH22 ARG A 938 12.897 44.386 0.053 1.00 0.00 H ATOM 911 HH21 ARG A 938 11.594 44.654 1.267 1.00 0.00 H ATOM 912 H ARG A 938 4.466 40.374 -0.981 1.00 0.00 H ATOM 913 N ASP A 939 5.614 40.678 2.234 1.00 25.55 N ATOM 914 CA ASP A 939 5.675 40.721 3.700 1.00 26.08 C ATOM 915 C ASP A 939 5.371 39.384 4.327 1.00 28.63 C ATOM 916 O ASP A 939 6.057 38.985 5.270 1.00 28.50 O ATOM 917 CB ASP A 939 4.708 41.792 4.239 1.00 28.38 C ATOM 918 CG ASP A 939 5.112 43.204 3.858 1.00 44.03 C ATOM 919 OD1 ASP A 939 6.315 43.427 3.556 1.00 46.13 O ATOM 920 OD2 ASP A 939 4.242 44.092 3.893 1.00 52.14 O ATOM 921 H ASP A 939 4.812 41.127 1.747 1.00 0.00 H ATOM 922 N TYR A 940 4.348 38.680 3.801 1.00 23.82 N ATOM 923 CA TYR A 940 3.934 37.380 4.287 1.00 23.29 C ATOM 924 C TYR A 940 5.072 36.356 4.195 1.00 29.19 C ATOM 925 O TYR A 940 5.327 35.618 5.157 1.00 28.63 O ATOM 926 CB TYR A 940 2.740 36.910 3.471 1.00 24.11 C ATOM 927 CG TYR A 940 2.145 35.616 3.960 1.00 26.13 C ATOM 928 CD1 TYR A 940 1.288 35.588 5.057 1.00 29.01 C ATOM 929 CD2 TYR A 940 2.383 34.423 3.288 1.00 26.15 C ATOM 930 CE1 TYR A 940 0.701 34.401 5.482 1.00 29.70 C ATOM 931 CE2 TYR A 940 1.796 33.234 3.699 1.00 26.40 C ATOM 932 CZ TYR A 940 0.984 33.222 4.814 1.00 34.82 C ATOM 933 OH TYR A 940 0.466 32.024 5.209 1.00 36.15 O ATOM 934 HH TYR A 940 1.205 31.399 5.418 1.00 0.00 H ATOM 935 H TYR A 940 3.827 39.094 3.002 1.00 0.00 H ATOM 936 N LEU A 941 5.719 36.282 3.023 1.00 25.89 N ATOM 937 CA LEU A 941 6.803 35.321 2.821 1.00 26.50 C ATOM 938 C LEU A 941 7.954 35.590 3.792 1.00 31.93 C ATOM 939 O LEU A 941 8.476 34.652 4.387 1.00 32.75 O ATOM 940 CB LEU A 941 7.314 35.409 1.378 1.00 25.77 C ATOM 941 CG LEU A 941 8.291 34.312 0.945 1.00 29.78 C ATOM 942 CD1 LEU A 941 7.768 32.939 1.307 1.00 28.95 C ATOM 943 CD2 LEU A 941 8.546 34.402 -0.540 1.00 29.99 C ATOM 944 H LEU A 941 5.446 36.917 2.246 1.00 0.00 H ATOM 945 N GLN A 942 8.349 36.872 3.908 1.00 31.32 N ATOM 946 CA GLN A 942 9.447 37.327 4.785 1.00 33.12 C ATOM 947 C GLN A 942 9.179 36.911 6.260 1.00 39.38 C ATOM 948 O GLN A 942 10.106 36.497 6.947 1.00 40.06 O ATOM 949 CB GLN A 942 9.578 38.846 4.656 1.00 35.01 C ATOM 950 CG GLN A 942 10.900 39.426 5.133 1.00 56.71 C ATOM 951 CD GLN A 942 11.062 40.876 4.741 1.00 80.66 C ATOM 952 OE1 GLN A 942 10.094 41.631 4.573 1.00 77.84 O ATOM 953 NE2 GLN A 942 12.301 41.305 4.602 1.00 75.61 N ATOM 954 HE22 GLN A 942 13.097 40.652 4.748 1.00 0.00 H ATOM 955 HE21 GLN A 942 12.482 42.297 4.346 1.00 0.00 H ATOM 956 H GLN A 942 7.849 37.588 3.344 1.00 0.00 H ATOM 957 N LYS A 943 7.900 36.966 6.712 1.00 35.97 N ATOM 958 CA LYS A 943 7.429 36.629 8.059 1.00 35.09 C ATOM 959 C LYS A 943 7.310 35.146 8.322 1.00 39.75 C ATOM 960 O LYS A 943 7.486 34.727 9.460 1.00 41.05 O ATOM 961 CB LYS A 943 6.054 37.292 8.317 1.00 37.24 C ATOM 962 H LYS A 943 7.179 37.280 6.032 1.00 0.00 H ATOM 963 N HIS A 944 6.965 34.356 7.309 1.00 33.33 N ATOM 964 CA HIS A 944 6.699 32.933 7.471 1.00 33.25 C ATOM 965 C HIS A 944 7.640 32.030 6.696 1.00 32.83 C ATOM 966 O HIS A 944 7.270 30.909 6.365 1.00 31.72 O ATOM 967 CB HIS A 944 5.255 32.642 7.056 1.00 36.09 C ATOM 968 CG HIS A 944 4.233 33.352 7.875 1.00 41.79 C ATOM 969 ND1 HIS A 944 3.639 34.525 7.435 1.00 44.50 N ATOM 970 CD2 HIS A 944 3.728 33.031 9.088 1.00 45.23 C ATOM 971 CE1 HIS A 944 2.776 34.863 8.376 1.00 44.59 C ATOM 972 NE2 HIS A 944 2.790 33.996 9.388 1.00 45.41 N ATOM 973 H HIS A 944 6.882 34.773 6.360 1.00 0.00 H ATOM 974 N LYS A 945 8.855 32.502 6.411 1.00 32.48 N ATOM 975 CA LYS A 945 9.820 31.737 5.601 1.00 32.94 C ATOM 976 C LYS A 945 10.116 30.341 6.153 1.00 37.84 C ATOM 977 O LYS A 945 10.269 29.407 5.371 1.00 35.45 O ATOM 978 CB LYS A 945 11.104 32.538 5.345 1.00 34.57 C ATOM 979 CG LYS A 945 11.872 33.043 6.564 1.00 41.62 C ATOM 980 CD LYS A 945 13.156 33.745 6.134 1.00 46.16 C ATOM 981 CE LYS A 945 13.015 35.241 6.111 1.00 65.46 C ATOM 982 NZ LYS A 945 13.865 35.857 5.070 1.00 79.40 N ATOM 983 HZ1 LYS A 945 14.862 35.625 5.256 1.00 0.00 H ATOM 984 HZ2 LYS A 945 13.590 35.488 4.137 1.00 0.00 H ATOM 985 HZ3 LYS A 945 13.739 36.889 5.087 1.00 0.00 H ATOM 986 H LYS A 945 9.130 33.438 6.771 1.00 0.00 H ATOM 987 N GLU A 946 10.110 30.169 7.486 1.00 38.16 N ATOM 988 CA GLU A 946 10.396 28.850 8.069 1.00 39.59 C ATOM 989 C GLU A 946 9.276 27.831 7.857 1.00 44.60 C ATOM 990 O GLU A 946 9.544 26.634 7.879 1.00 45.70 O ATOM 991 CB GLU A 946 10.779 28.977 9.556 1.00 41.41 C ATOM 992 CG GLU A 946 12.147 29.619 9.724 1.00 59.05 C ATOM 993 CD GLU A 946 12.595 29.916 11.141 1.00 94.86 C ATOM 994 OE1 GLU A 946 12.688 31.116 11.486 1.00 89.54 O ATOM 995 OE2 GLU A 946 12.893 28.958 11.891 1.00 96.11 O ATOM 996 H GLU A 946 9.902 30.975 8.110 1.00 0.00 H ATOM 997 N ARG A 947 8.046 28.287 7.591 1.00 39.98 N ATOM 998 CA ARG A 947 6.897 27.413 7.384 1.00 39.69 C ATOM 999 C ARG A 947 6.436 27.278 5.934 1.00 40.39 C ATOM 1000 O ARG A 947 5.602 26.416 5.659 1.00 42.17 O ATOM 1001 CB ARG A 947 5.716 27.895 8.248 1.00 44.80 C ATOM 1002 H ARG A 947 7.903 29.315 7.529 1.00 0.00 H ATOM 1003 N ILE A 948 6.959 28.107 5.002 1.00 32.46 N ATOM 1004 CA ILE A 948 6.546 28.043 3.596 1.00 29.02 C ATOM 1005 C ILE A 948 7.597 27.266 2.816 1.00 29.62 C ATOM 1006 O ILE A 948 8.722 27.756 2.667 1.00 29.38 O ATOM 1007 CB ILE A 948 6.321 29.468 3.011 1.00 30.48 C ATOM 1008 CG1 ILE A 948 5.122 30.154 3.720 1.00 31.12 C ATOM 1009 CG2 ILE A 948 6.124 29.426 1.452 1.00 30.44 C ATOM 1010 CD1 ILE A 948 5.113 31.619 3.533 1.00 29.97 C ATOM 1011 H ILE A 948 7.672 28.807 5.290 1.00 0.00 H ATOM 1012 N ASP A 949 7.246 26.074 2.349 1.00 26.61 N ATOM 1013 CA ASP A 949 8.220 25.259 1.603 1.00 27.80 C ATOM 1014 C ASP A 949 8.123 25.496 0.102 1.00 30.10 C ATOM 1015 O ASP A 949 7.286 26.307 -0.312 1.00 28.96 O ATOM 1016 CB ASP A 949 8.112 23.777 1.983 1.00 29.35 C ATOM 1017 CG ASP A 949 6.812 23.097 1.638 1.00 43.95 C ATOM 1018 OD1 ASP A 949 5.884 23.786 1.159 1.00 44.47 O ATOM 1019 OD2 ASP A 949 6.719 21.878 1.835 1.00 49.49 O ATOM 1020 H ASP A 949 6.283 25.716 2.510 1.00 0.00 H ATOM 1021 N HIS A 950 8.937 24.799 -0.709 1.00 26.23 N ATOM 1022 CA HIS A 950 8.916 25.009 -2.160 1.00 25.89 C ATOM 1023 C HIS A 950 7.622 24.634 -2.814 1.00 29.63 C ATOM 1024 O HIS A 950 7.205 25.321 -3.750 1.00 29.11 O ATOM 1025 CB HIS A 950 10.080 24.283 -2.840 1.00 26.16 C ATOM 1026 CG HIS A 950 11.411 24.872 -2.541 1.00 28.61 C ATOM 1027 ND1 HIS A 950 12.558 24.273 -2.999 1.00 30.03 N ATOM 1028 CD2 HIS A 950 11.740 26.020 -1.906 1.00 30.03 C ATOM 1029 CE1 HIS A 950 13.550 25.016 -2.559 1.00 29.16 C ATOM 1030 NE2 HIS A 950 13.111 26.103 -1.929 1.00 30.00 N ATOM 1031 H HIS A 950 9.591 24.101 -0.302 1.00 0.00 H ATOM 1032 N ILE A 951 6.963 23.558 -2.355 1.00 27.90 N ATOM 1033 CA ILE A 951 5.709 23.188 -2.987 1.00 30.10 C ATOM 1034 C ILE A 951 4.638 24.290 -2.766 1.00 30.90 C ATOM 1035 O ILE A 951 3.834 24.559 -3.666 1.00 29.29 O ATOM 1036 CB ILE A 951 5.232 21.769 -2.625 1.00 36.55 C ATOM 1037 CG1 ILE A 951 4.335 21.230 -3.763 1.00 40.18 C ATOM 1038 CG2 ILE A 951 4.545 21.727 -1.280 1.00 39.39 C ATOM 1039 CD1 ILE A 951 4.140 19.753 -3.764 1.00 58.35 C ATOM 1040 H ILE A 951 7.343 23.001 -1.563 1.00 0.00 H ATOM 1041 N LYS A 952 4.691 24.954 -1.602 1.00 26.07 N ATOM 1042 CA LYS A 952 3.780 26.057 -1.302 1.00 25.61 C ATOM 1043 C LYS A 952 4.123 27.259 -2.197 1.00 25.03 C ATOM 1044 O LYS A 952 3.203 27.901 -2.737 1.00 23.26 O ATOM 1045 CB LYS A 952 3.883 26.423 0.185 1.00 29.15 C ATOM 1046 CG LYS A 952 2.965 27.560 0.621 1.00 38.02 C ATOM 1047 CD LYS A 952 1.482 27.251 0.358 1.00 42.54 C ATOM 1048 CE LYS A 952 0.897 26.359 1.411 1.00 50.08 C ATOM 1049 NZ LYS A 952 -0.549 26.229 1.215 1.00 55.05 N ATOM 1050 HZ1 LYS A 952 -0.992 27.168 1.278 1.00 0.00 H ATOM 1051 HZ2 LYS A 952 -0.735 25.819 0.278 1.00 0.00 H ATOM 1052 HZ3 LYS A 952 -0.943 25.609 1.951 1.00 0.00 H ATOM 1053 H LYS A 952 5.400 24.676 -0.893 1.00 0.00 H ATOM 1054 N LEU A 953 5.420 27.562 -2.383 1.00 21.36 N ATOM 1055 CA LEU A 953 5.826 28.673 -3.280 1.00 20.34 C ATOM 1056 C LEU A 953 5.298 28.398 -4.673 1.00 24.01 C ATOM 1057 O LEU A 953 4.841 29.322 -5.346 1.00 23.09 O ATOM 1058 CB LEU A 953 7.355 28.828 -3.362 1.00 20.90 C ATOM 1059 CG LEU A 953 8.077 29.366 -2.112 1.00 24.29 C ATOM 1060 CD1 LEU A 953 9.528 29.506 -2.401 1.00 24.22 C ATOM 1061 CD2 LEU A 953 7.529 30.752 -1.691 1.00 24.91 C ATOM 1062 H LEU A 953 6.150 27.009 -1.891 1.00 0.00 H ATOM 1063 N LEU A 954 5.298 27.122 -5.096 1.00 21.51 N ATOM 1064 CA LEU A 954 4.808 26.788 -6.425 1.00 22.34 C ATOM 1065 C LEU A 954 3.297 26.862 -6.537 1.00 22.85 C ATOM 1066 O LEU A 954 2.779 27.167 -7.621 1.00 20.96 O ATOM 1067 CB LEU A 954 5.355 25.431 -6.902 1.00 22.64 C ATOM 1068 CG LEU A 954 6.860 25.377 -7.158 1.00 27.10 C ATOM 1069 CD1 LEU A 954 7.251 24.015 -7.649 1.00 28.70 C ATOM 1070 CD2 LEU A 954 7.344 26.479 -8.142 1.00 28.57 C ATOM 1071 H LEU A 954 5.650 26.370 -4.470 1.00 0.00 H ATOM 1072 N GLN A 955 2.587 26.610 -5.437 1.00 21.45 N ATOM 1073 CA GLN A 955 1.128 26.773 -5.419 1.00 21.96 C ATOM 1074 C GLN A 955 0.847 28.274 -5.689 1.00 22.76 C ATOM 1075 O GLN A 955 -0.017 28.590 -6.528 1.00 22.41 O ATOM 1076 CB GLN A 955 0.570 26.378 -4.042 1.00 22.39 C ATOM 1077 CG GLN A 955 -0.940 26.505 -3.921 1.00 26.83 C ATOM 1078 CD GLN A 955 -1.419 26.065 -2.548 1.00 38.54 C ATOM 1079 OE1 GLN A 955 -0.654 25.697 -1.664 1.00 46.86 O ATOM 1080 NE2 GLN A 955 -2.696 26.080 -2.340 1.00 38.27 N ATOM 1081 HE22 GLN A 955 -3.342 26.393 -3.093 1.00 0.00 H ATOM 1082 HE21 GLN A 955 -3.077 25.779 -1.420 1.00 0.00 H ATOM 1083 H GLN A 955 3.076 26.292 -4.576 1.00 0.00 H ATOM 1084 N TYR A 956 1.582 29.182 -5.006 1.00 18.26 N ATOM 1085 CA TYR A 956 1.391 30.632 -5.230 1.00 17.99 C ATOM 1086 C TYR A 956 1.778 31.013 -6.644 1.00 20.81 C ATOM 1087 O TYR A 956 1.090 31.809 -7.275 1.00 20.30 O ATOM 1088 CB TYR A 956 2.217 31.467 -4.248 1.00 18.03 C ATOM 1089 CG TYR A 956 1.926 31.214 -2.775 1.00 19.21 C ATOM 1090 CD1 TYR A 956 0.670 30.790 -2.350 1.00 21.27 C ATOM 1091 CD2 TYR A 956 2.890 31.461 -1.808 1.00 22.18 C ATOM 1092 CE1 TYR A 956 0.388 30.596 -0.982 1.00 25.68 C ATOM 1093 CE2 TYR A 956 2.618 31.280 -0.439 1.00 22.76 C ATOM 1094 CZ TYR A 956 1.364 30.861 -0.035 1.00 29.83 C ATOM 1095 OH TYR A 956 1.124 30.656 1.307 1.00 32.84 O ATOM 1096 HH TYR A 956 0.187 30.360 1.432 1.00 0.00 H ATOM 1097 H TYR A 956 2.289 28.857 -4.316 1.00 0.00 H ATOM 1098 N THR A 957 2.870 30.427 -7.153 1.00 19.15 N ATOM 1099 CA THR A 957 3.370 30.718 -8.508 1.00 19.00 C ATOM 1100 C THR A 957 2.296 30.360 -9.527 1.00 21.31 C ATOM 1101 O THR A 957 2.012 31.164 -10.434 1.00 19.84 O ATOM 1102 CB THR A 957 4.679 29.928 -8.769 1.00 21.47 C ATOM 1103 OG1 THR A 957 5.660 30.334 -7.827 1.00 21.40 O ATOM 1104 CG2 THR A 957 5.245 30.174 -10.173 1.00 20.17 C ATOM 1105 HG1 THR A 957 5.334 30.147 -6.911 1.00 0.00 H ATOM 1106 H THR A 957 3.386 29.739 -6.568 1.00 0.00 H ATOM 1107 N SER A 958 1.686 29.177 -9.371 1.00 18.30 N ATOM 1108 CA SER A 958 0.649 28.699 -10.293 1.00 19.10 C ATOM 1109 C SER A 958 -0.553 29.678 -10.312 1.00 22.11 C ATOM 1110 O SER A 958 -1.074 29.982 -11.379 1.00 22.20 O ATOM 1111 CB SER A 958 0.191 27.300 -9.892 1.00 22.95 C ATOM 1112 OG SER A 958 -0.894 26.899 -10.709 1.00 27.88 O ATOM 1113 HG SER A 958 -1.187 25.991 -10.444 1.00 0.00 H ATOM 1114 H SER A 958 1.957 28.576 -8.567 1.00 0.00 H ATOM 1115 N GLN A 959 -0.952 30.183 -9.139 1.00 17.72 N ATOM 1116 CA GLN A 959 -2.079 31.103 -8.999 1.00 17.33 C ATOM 1117 C GLN A 959 -1.763 32.434 -9.690 1.00 20.94 C ATOM 1118 O GLN A 959 -2.628 32.983 -10.367 1.00 21.23 O ATOM 1119 CB GLN A 959 -2.411 31.306 -7.523 1.00 18.96 C ATOM 1120 CG GLN A 959 -3.110 30.062 -6.910 1.00 20.96 C ATOM 1121 CD GLN A 959 -3.178 30.129 -5.411 1.00 33.53 C ATOM 1122 OE1 GLN A 959 -2.902 31.167 -4.806 1.00 29.95 O ATOM 1123 NE2 GLN A 959 -3.493 28.998 -4.761 1.00 23.61 N ATOM 1124 HE22 GLN A 959 -3.722 28.137 -5.297 1.00 0.00 H ATOM 1125 HE21 GLN A 959 -3.508 28.983 -3.721 1.00 0.00 H ATOM 1126 H GLN A 959 -0.433 29.906 -8.281 1.00 0.00 H ATOM 1127 N ILE A 960 -0.544 32.951 -9.529 1.00 18.44 N ATOM 1128 CA ILE A 960 -0.126 34.214 -10.196 1.00 17.76 C ATOM 1129 C ILE A 960 -0.185 33.989 -11.719 1.00 21.47 C ATOM 1130 O ILE A 960 -0.713 34.837 -12.437 1.00 19.49 O ATOM 1131 CB ILE A 960 1.292 34.622 -9.718 1.00 19.45 C ATOM 1132 CG1 ILE A 960 1.269 35.010 -8.223 1.00 19.33 C ATOM 1133 CG2 ILE A 960 1.899 35.747 -10.616 1.00 20.66 C ATOM 1134 CD1 ILE A 960 2.637 34.936 -7.595 1.00 20.57 C ATOM 1135 H ILE A 960 0.136 32.456 -8.918 1.00 0.00 H ATOM 1136 N CYS A 961 0.319 32.836 -12.211 1.00 19.62 N ATOM 1137 CA CYS A 961 0.263 32.502 -13.659 1.00 16.16 C ATOM 1138 C CYS A 961 -1.168 32.503 -14.175 1.00 22.85 C ATOM 1139 O CYS A 961 -1.430 32.990 -15.294 1.00 21.70 O ATOM 1140 CB CYS A 961 0.925 31.156 -13.952 1.00 14.22 C ATOM 1141 SG CYS A 961 2.724 31.204 -13.929 1.00 16.29 S ATOM 1142 H CYS A 961 0.761 32.160 -11.556 1.00 0.00 H ATOM 1143 N LYS A 962 -2.091 31.912 -13.410 1.00 18.93 N ATOM 1144 CA LYS A 962 -3.501 31.810 -13.839 1.00 19.45 C ATOM 1145 C LYS A 962 -4.154 33.188 -13.853 1.00 20.89 C ATOM 1146 O LYS A 962 -4.872 33.512 -14.797 1.00 21.32 O ATOM 1147 CB LYS A 962 -4.256 30.825 -12.952 1.00 23.26 C ATOM 1148 CG LYS A 962 -3.765 29.388 -13.188 1.00 26.39 C ATOM 1149 CD LYS A 962 -4.402 28.405 -12.224 1.00 39.92 C ATOM 1150 CE LYS A 962 -4.165 26.959 -12.640 1.00 56.28 C ATOM 1151 NZ LYS A 962 -2.720 26.607 -12.807 1.00 54.92 N ATOM 1152 HZ1 LYS A 962 -2.299 27.213 -13.541 1.00 0.00 H ATOM 1153 HZ2 LYS A 962 -2.222 26.755 -11.906 1.00 0.00 H ATOM 1154 HZ3 LYS A 962 -2.638 25.610 -13.090 1.00 0.00 H ATOM 1155 H LYS A 962 -1.810 31.515 -12.491 1.00 0.00 H ATOM 1156 N GLY A 963 -3.860 34.014 -12.852 1.00 17.66 N ATOM 1157 CA GLY A 963 -4.412 35.366 -12.860 1.00 18.43 C ATOM 1158 C GLY A 963 -3.835 36.150 -14.031 1.00 20.20 C ATOM 1159 O GLY A 963 -4.564 36.907 -14.681 1.00 21.51 O ATOM 1160 H GLY A 963 -3.245 33.701 -12.074 1.00 0.00 H ATOM 1161 N MET A 964 -2.508 35.992 -14.314 1.00 16.65 N ATOM 1162 CA MET A 964 -1.872 36.698 -15.456 1.00 15.79 C ATOM 1163 C MET A 964 -2.411 36.223 -16.799 1.00 20.21 C ATOM 1164 O MET A 964 -2.639 37.040 -17.699 1.00 20.09 O ATOM 1165 CB MET A 964 -0.333 36.572 -15.414 1.00 17.96 C ATOM 1166 CG MET A 964 0.293 37.419 -14.305 1.00 19.74 C ATOM 1167 SD MET A 964 -0.181 39.187 -14.419 1.00 23.01 S ATOM 1168 CE MET A 964 0.396 39.593 -16.058 1.00 21.65 C ATOM 1169 H MET A 964 -1.931 35.365 -13.718 1.00 0.00 H ATOM 1170 N GLU A 965 -2.634 34.933 -16.953 1.00 17.77 N ATOM 1171 CA GLU A 965 -3.213 34.445 -18.212 1.00 19.16 C ATOM 1172 C GLU A 965 -4.605 35.055 -18.420 1.00 23.93 C ATOM 1173 O GLU A 965 -4.922 35.487 -19.528 1.00 24.31 O ATOM 1174 CB GLU A 965 -3.285 32.908 -18.215 1.00 21.30 C ATOM 1175 CG GLU A 965 -4.062 32.346 -19.405 1.00 24.87 C ATOM 1176 CD GLU A 965 -3.632 32.801 -20.792 1.00 36.59 C ATOM 1177 OE1 GLU A 965 -4.427 32.606 -21.737 1.00 31.24 O ATOM 1178 OE2 GLU A 965 -2.500 33.319 -20.945 1.00 28.56 O ATOM 1179 H GLU A 965 -2.402 34.266 -16.189 1.00 0.00 H ATOM 1180 N TYR A 966 -5.397 35.154 -17.344 1.00 20.68 N ATOM 1181 CA TYR A 966 -6.716 35.770 -17.417 1.00 20.54 C ATOM 1182 C TYR A 966 -6.588 37.234 -17.873 1.00 23.45 C ATOM 1183 O TYR A 966 -7.320 37.623 -18.786 1.00 21.47 O ATOM 1184 CB TYR A 966 -7.454 35.614 -16.096 1.00 21.29 C ATOM 1185 CG TYR A 966 -8.783 36.332 -16.037 1.00 23.02 C ATOM 1186 CD1 TYR A 966 -9.883 35.873 -16.757 1.00 24.65 C ATOM 1187 CD2 TYR A 966 -8.954 37.440 -15.227 1.00 23.83 C ATOM 1188 CE1 TYR A 966 -11.127 36.516 -16.673 1.00 25.17 C ATOM 1189 CE2 TYR A 966 -10.197 38.069 -15.109 1.00 24.83 C ATOM 1190 CZ TYR A 966 -11.265 37.638 -15.874 1.00 27.17 C ATOM 1191 OH TYR A 966 -12.473 38.277 -15.713 1.00 26.55 O ATOM 1192 HH TYR A 966 -13.143 37.870 -16.317 1.00 0.00 H ATOM 1193 H TYR A 966 -5.062 34.782 -16.433 1.00 0.00 H ATOM 1194 N LEU A 967 -5.609 38.019 -17.342 1.00 20.38 N ATOM 1195 CA LEU A 967 -5.376 39.399 -17.835 1.00 21.68 C ATOM 1196 C LEU A 967 -5.105 39.406 -19.335 1.00 25.08 C ATOM 1197 O LEU A 967 -5.618 40.273 -20.055 1.00 23.80 O ATOM 1198 CB LEU A 967 -4.130 40.034 -17.192 1.00 23.58 C ATOM 1199 CG LEU A 967 -4.145 40.526 -15.753 1.00 31.85 C ATOM 1200 CD1 LEU A 967 -3.241 41.774 -15.603 1.00 31.57 C ATOM 1201 CD2 LEU A 967 -5.512 40.787 -15.242 1.00 35.75 C ATOM 1202 H LEU A 967 -5.014 37.644 -16.576 1.00 0.00 H ATOM 1203 N GLY A 968 -4.265 38.469 -19.779 1.00 22.15 N ATOM 1204 CA GLY A 968 -3.891 38.305 -21.181 1.00 23.19 C ATOM 1205 C GLY A 968 -5.073 38.090 -22.101 1.00 27.06 C ATOM 1206 O GLY A 968 -5.070 38.601 -23.227 1.00 26.85 O ATOM 1207 H GLY A 968 -3.851 37.815 -19.084 1.00 0.00 H ATOM 1208 N THR A 969 -6.101 37.392 -21.620 1.00 24.09 N ATOM 1209 CA THR A 969 -7.333 37.154 -22.420 1.00 23.78 C ATOM 1210 C THR A 969 -8.083 38.467 -22.667 1.00 28.08 C ATOM 1211 O THR A 969 -8.810 38.568 -23.650 1.00 28.42 O ATOM 1212 CB THR A 969 -8.268 36.101 -21.797 1.00 26.21 C ATOM 1213 OG1 THR A 969 -8.919 36.624 -20.629 1.00 23.47 O ATOM 1214 CG2 THR A 969 -7.557 34.764 -21.504 1.00 27.15 C ATOM 1215 HG1 THR A 969 -8.237 36.881 -19.960 1.00 0.00 H ATOM 1216 H THR A 969 -6.041 37.002 -20.658 1.00 0.00 H ATOM 1217 N LYS A 970 -7.911 39.458 -21.782 1.00 23.82 N ATOM 1218 CA LYS A 970 -8.565 40.767 -21.924 1.00 23.30 C ATOM 1219 C LYS A 970 -7.644 41.767 -22.604 1.00 24.49 C ATOM 1220 O LYS A 970 -7.997 42.945 -22.752 1.00 23.67 O ATOM 1221 CB LYS A 970 -9.045 41.293 -20.563 1.00 26.43 C ATOM 1222 CG LYS A 970 -10.067 40.354 -19.909 1.00 31.59 C ATOM 1223 CD LYS A 970 -11.125 41.095 -19.123 1.00 41.73 C ATOM 1224 CE LYS A 970 -12.029 40.140 -18.383 1.00 47.94 C ATOM 1225 NZ LYS A 970 -12.934 39.383 -19.288 1.00 57.45 N ATOM 1226 HZ1 LYS A 970 -13.536 40.050 -19.811 1.00 0.00 H ATOM 1227 HZ2 LYS A 970 -12.366 38.827 -19.959 1.00 0.00 H ATOM 1228 HZ3 LYS A 970 -13.530 38.744 -18.725 1.00 0.00 H ATOM 1229 H LYS A 970 -7.291 39.295 -20.963 1.00 0.00 H ATOM 1230 N ARG A 971 -6.456 41.302 -23.041 1.00 21.43 N ATOM 1231 CA ARG A 971 -5.412 42.119 -23.674 1.00 21.37 C ATOM 1232 C ARG A 971 -4.933 43.233 -22.734 1.00 25.49 C ATOM 1233 O ARG A 971 -4.565 44.326 -23.175 1.00 25.21 O ATOM 1234 CB ARG A 971 -5.842 42.635 -25.073 1.00 23.75 C ATOM 1235 CG ARG A 971 -5.990 41.464 -26.063 1.00 28.92 C ATOM 1236 CD ARG A 971 -6.466 41.881 -27.444 1.00 35.25 C ATOM 1237 NE ARG A 971 -5.552 42.842 -28.068 1.00 27.26 N ATOM 1238 CZ ARG A 971 -4.426 42.529 -28.697 1.00 38.14 C ATOM 1239 NH1 ARG A 971 -4.035 41.263 -28.790 1.00 33.84 N ATOM 1240 NH2 ARG A 971 -3.690 43.474 -29.248 1.00 30.99 N ATOM 1241 HE ARG A 971 -5.806 43.849 -28.014 1.00 0.00 H ATOM 1242 HH12 ARG A 971 -3.151 41.027 -29.285 1.00 0.00 H ATOM 1243 HH11 ARG A 971 -4.613 40.508 -28.368 1.00 0.00 H ATOM 1244 HH22 ARG A 971 -2.808 43.226 -29.740 1.00 0.00 H ATOM 1245 HH21 ARG A 971 -3.991 44.468 -29.190 1.00 0.00 H ATOM 1246 H ARG A 971 -6.264 40.287 -22.921 1.00 0.00 H ATOM 1247 N TYR A 972 -4.906 42.924 -21.422 1.00 20.35 N ATOM 1248 CA TYR A 972 -4.398 43.848 -20.429 1.00 19.03 C ATOM 1249 C TYR A 972 -2.930 43.473 -20.142 1.00 22.74 C ATOM 1250 O TYR A 972 -2.609 42.277 -20.012 1.00 21.37 O ATOM 1251 CB TYR A 972 -5.170 43.718 -19.122 1.00 20.62 C ATOM 1252 CG TYR A 972 -6.623 44.153 -19.132 1.00 23.09 C ATOM 1253 CD1 TYR A 972 -7.160 44.860 -20.216 1.00 25.82 C ATOM 1254 CD2 TYR A 972 -7.460 43.866 -18.059 1.00 22.41 C ATOM 1255 CE1 TYR A 972 -8.499 45.255 -20.227 1.00 25.41 C ATOM 1256 CE2 TYR A 972 -8.791 44.270 -18.051 1.00 22.94 C ATOM 1257 CZ TYR A 972 -9.308 44.957 -19.140 1.00 27.93 C ATOM 1258 OH TYR A 972 -10.609 45.368 -19.100 1.00 25.75 O ATOM 1259 HH TYR A 972 -11.200 44.580 -18.997 1.00 0.00 H ATOM 1260 H TYR A 972 -5.260 41.996 -21.114 1.00 0.00 H ATOM 1261 N ILE A 973 -2.079 44.483 -19.976 1.00 17.64 N ATOM 1262 CA ILE A 973 -0.637 44.337 -19.665 1.00 17.63 C ATOM 1263 C ILE A 973 -0.479 44.930 -18.283 1.00 20.96 C ATOM 1264 O ILE A 973 -0.751 46.116 -18.087 1.00 20.59 O ATOM 1265 CB ILE A 973 0.279 45.062 -20.693 1.00 21.40 C ATOM 1266 CG1 ILE A 973 -0.030 44.662 -22.142 1.00 23.34 C ATOM 1267 CG2 ILE A 973 1.780 44.796 -20.391 1.00 24.25 C ATOM 1268 CD1 ILE A 973 -0.120 43.140 -22.395 1.00 23.84 C ATOM 1269 H ILE A 973 -2.454 45.448 -20.072 1.00 0.00 H ATOM 1270 N HIS A 974 -0.037 44.120 -17.310 1.00 18.75 N ATOM 1271 CA HIS A 974 0.031 44.586 -15.925 1.00 17.31 C ATOM 1272 C HIS A 974 1.084 45.646 -15.675 1.00 21.48 C ATOM 1273 O HIS A 974 0.821 46.622 -14.948 1.00 21.72 O ATOM 1274 CB HIS A 974 0.243 43.373 -14.997 1.00 17.34 C ATOM 1275 CG HIS A 974 0.116 43.728 -13.559 1.00 19.37 C ATOM 1276 ND1 HIS A 974 1.216 44.168 -12.830 1.00 20.85 N ATOM 1277 CD2 HIS A 974 -0.989 43.797 -12.783 1.00 19.83 C ATOM 1278 CE1 HIS A 974 0.743 44.460 -11.626 1.00 19.87 C ATOM 1279 NE2 HIS A 974 -0.572 44.243 -11.550 1.00 19.74 N ATOM 1280 H HIS A 974 0.260 43.151 -17.542 1.00 0.00 H ATOM 1281 N ARG A 975 2.294 45.429 -16.219 1.00 19.58 N ATOM 1282 CA ARG A 975 3.464 46.322 -16.174 1.00 21.06 C ATOM 1283 C ARG A 975 4.071 46.525 -14.805 1.00 25.40 C ATOM 1284 O ARG A 975 4.957 47.363 -14.696 1.00 26.55 O ATOM 1285 CB ARG A 975 3.157 47.725 -16.780 1.00 21.45 C ATOM 1286 CG ARG A 975 2.606 47.717 -18.193 1.00 22.04 C ATOM 1287 CD ARG A 975 2.493 49.123 -18.766 1.00 25.27 C ATOM 1288 NE ARG A 975 3.699 49.910 -18.519 1.00 36.07 N ATOM 1289 CZ ARG A 975 3.749 51.011 -17.778 1.00 39.04 C ATOM 1290 NH1 ARG A 975 2.649 51.506 -17.238 1.00 30.83 N ATOM 1291 NH2 ARG A 975 4.893 51.637 -17.595 1.00 35.80 N ATOM 1292 HE ARG A 975 4.584 49.584 -18.956 1.00 0.00 H ATOM 1293 HH12 ARG A 975 2.697 52.369 -16.659 1.00 0.00 H ATOM 1294 HH11 ARG A 975 1.736 51.033 -17.392 1.00 0.00 H ATOM 1295 HH22 ARG A 975 4.927 52.499 -17.014 1.00 0.00 H ATOM 1296 HH21 ARG A 975 5.762 51.270 -18.032 1.00 0.00 H ATOM 1297 H ARG A 975 2.417 44.531 -16.728 1.00 0.00 H ATOM 1298 N ASP A 976 3.591 45.832 -13.751 1.00 19.55 N ATOM 1299 CA ASP A 976 4.161 46.071 -12.420 1.00 18.78 C ATOM 1300 C ASP A 976 4.138 44.791 -11.591 1.00 22.02 C ATOM 1301 O ASP A 976 3.938 44.827 -10.377 1.00 22.35 O ATOM 1302 CB ASP A 976 3.351 47.188 -11.732 1.00 20.56 C ATOM 1303 CG ASP A 976 4.024 47.872 -10.537 1.00 27.10 C ATOM 1304 OD1 ASP A 976 5.243 47.775 -10.410 1.00 27.50 O ATOM 1305 OD2 ASP A 976 3.320 48.477 -9.741 1.00 29.41 O ATOM 1306 H ASP A 976 2.827 45.138 -13.880 1.00 0.00 H ATOM 1307 N LEU A 977 4.369 43.640 -12.244 1.00 18.61 N ATOM 1308 CA LEU A 977 4.346 42.376 -11.503 1.00 18.11 C ATOM 1309 C LEU A 977 5.546 42.311 -10.580 1.00 21.33 C ATOM 1310 O LEU A 977 6.673 42.452 -11.053 1.00 22.86 O ATOM 1311 CB LEU A 977 4.410 41.207 -12.475 1.00 19.63 C ATOM 1312 CG LEU A 977 3.106 40.637 -12.929 1.00 28.54 C ATOM 1313 CD1 LEU A 977 3.410 39.415 -13.857 1.00 29.46 C ATOM 1314 CD2 LEU A 977 2.244 40.184 -11.701 1.00 31.89 C ATOM 1315 H LEU A 977 4.562 43.646 -13.266 1.00 0.00 H ATOM 1316 N ALA A 978 5.289 42.110 -9.271 1.00 18.71 N ATOM 1317 CA ALA A 978 6.314 42.077 -8.222 1.00 19.45 C ATOM 1318 C ALA A 978 5.641 41.527 -6.995 1.00 20.81 C ATOM 1319 O ALA A 978 4.419 41.676 -6.868 1.00 18.70 O ATOM 1320 CB ALA A 978 6.835 43.493 -7.940 1.00 20.13 C ATOM 1321 H ALA A 978 4.299 41.969 -8.987 1.00 0.00 H ATOM 1322 N THR A 979 6.392 40.879 -6.081 1.00 16.95 N ATOM 1323 CA THR A 979 5.698 40.308 -4.906 1.00 17.59 C ATOM 1324 C THR A 979 5.032 41.364 -4.019 1.00 18.68 C ATOM 1325 O THR A 979 4.049 41.041 -3.343 1.00 19.29 O ATOM 1326 CB THR A 979 6.575 39.375 -4.062 1.00 20.07 C ATOM 1327 OG1 THR A 979 7.612 40.132 -3.458 1.00 20.65 O ATOM 1328 CG2 THR A 979 7.140 38.205 -4.878 1.00 17.97 C ATOM 1329 HG1 THR A 979 8.161 40.559 -4.163 1.00 0.00 H ATOM 1330 H THR A 979 7.421 40.784 -6.198 1.00 0.00 H ATOM 1331 N ARG A 980 5.505 42.617 -4.064 1.00 19.59 N ATOM 1332 CA ARG A 980 4.891 43.705 -3.271 1.00 20.51 C ATOM 1333 C ARG A 980 3.459 44.016 -3.781 1.00 22.98 C ATOM 1334 O ARG A 980 2.677 44.636 -3.052 1.00 23.15 O ATOM 1335 CB ARG A 980 5.764 44.979 -3.299 1.00 22.01 C ATOM 1336 CG ARG A 980 5.845 45.641 -4.690 1.00 28.96 C ATOM 1337 CD ARG A 980 6.675 46.940 -4.786 1.00 40.18 C ATOM 1338 NE ARG A 980 7.787 46.861 -5.759 1.00 63.36 N ATOM 1339 CZ ARG A 980 7.681 46.910 -7.089 1.00 71.39 C ATOM 1340 NH1 ARG A 980 6.496 47.033 -7.663 1.00 62.43 N ATOM 1341 NH2 ARG A 980 8.764 46.811 -7.854 1.00 48.39 N ATOM 1342 HE ARG A 980 8.745 46.757 -5.368 1.00 0.00 H ATOM 1343 HH12 ARG A 980 6.422 47.070 -8.700 1.00 0.00 H ATOM 1344 HH11 ARG A 980 5.638 47.092 -7.078 1.00 0.00 H ATOM 1345 HH22 ARG A 980 8.675 46.850 -8.889 1.00 0.00 H ATOM 1346 HH21 ARG A 980 9.701 46.695 -7.417 1.00 0.00 H ATOM 1347 H ARG A 980 6.323 42.830 -4.670 1.00 0.00 H ATOM 1348 N ASN A 981 3.135 43.599 -5.026 1.00 18.48 N ATOM 1349 CA ASN A 981 1.828 43.850 -5.648 1.00 18.16 C ATOM 1350 C ASN A 981 0.896 42.639 -5.611 1.00 22.65 C ATOM 1351 O ASN A 981 -0.189 42.693 -6.186 1.00 21.87 O ATOM 1352 CB ASN A 981 2.025 44.358 -7.088 1.00 19.72 C ATOM 1353 CG ASN A 981 2.611 45.743 -7.063 1.00 28.68 C ATOM 1354 OD1 ASN A 981 2.388 46.478 -6.122 1.00 24.99 O ATOM 1355 ND2 ASN A 981 3.478 46.079 -7.992 1.00 23.02 N ATOM 1356 HD22 ASN A 981 3.658 45.439 -8.792 1.00 0.00 H ATOM 1357 HD21 ASN A 981 3.984 46.985 -7.928 1.00 0.00 H ATOM 1358 H ASN A 981 3.848 43.074 -5.571 1.00 0.00 H ATOM 1359 N ILE A 982 1.307 41.568 -4.928 1.00 17.39 N ATOM 1360 CA ILE A 982 0.497 40.362 -4.799 1.00 16.95 C ATOM 1361 C ILE A 982 0.039 40.309 -3.354 1.00 19.63 C ATOM 1362 O ILE A 982 0.846 40.585 -2.464 1.00 21.12 O ATOM 1363 CB ILE A 982 1.325 39.102 -5.180 1.00 20.34 C ATOM 1364 CG1 ILE A 982 1.895 39.181 -6.651 1.00 20.75 C ATOM 1365 CG2 ILE A 982 0.496 37.821 -4.959 1.00 20.45 C ATOM 1366 CD1 ILE A 982 0.963 39.308 -7.787 1.00 27.71 C ATOM 1367 H ILE A 982 2.241 41.595 -4.470 1.00 0.00 H ATOM 1368 N LEU A 983 -1.239 39.988 -3.122 1.00 16.36 N ATOM 1369 CA LEU A 983 -1.807 39.954 -1.780 1.00 15.95 C ATOM 1370 C LEU A 983 -2.147 38.539 -1.375 1.00 19.93 C ATOM 1371 O LEU A 983 -2.391 37.689 -2.232 1.00 21.73 O ATOM 1372 CB LEU A 983 -3.076 40.828 -1.712 1.00 16.08 C ATOM 1373 CG LEU A 983 -2.821 42.334 -1.952 1.00 19.02 C ATOM 1374 CD1 LEU A 983 -4.140 43.055 -2.112 1.00 19.86 C ATOM 1375 CD2 LEU A 983 -2.004 42.945 -0.797 1.00 20.50 C ATOM 1376 H LEU A 983 -1.850 39.754 -3.930 1.00 0.00 H ATOM 1377 N VAL A 984 -2.204 38.302 -0.078 1.00 16.39 N ATOM 1378 CA VAL A 984 -2.471 36.963 0.442 1.00 16.21 C ATOM 1379 C VAL A 984 -3.857 36.920 1.064 1.00 19.48 C ATOM 1380 O VAL A 984 -4.098 37.596 2.069 1.00 18.67 O ATOM 1381 CB VAL A 984 -1.364 36.549 1.448 1.00 18.55 C ATOM 1382 CG1 VAL A 984 -1.629 35.164 2.031 1.00 19.08 C ATOM 1383 CG2 VAL A 984 0.041 36.632 0.810 1.00 19.03 C ATOM 1384 H VAL A 984 -2.056 39.086 0.589 1.00 0.00 H ATOM 1385 N GLU A 985 -4.777 36.130 0.477 1.00 18.94 N ATOM 1386 CA GLU A 985 -6.114 35.996 1.059 1.00 18.00 C ATOM 1387 C GLU A 985 -6.073 35.046 2.265 1.00 24.24 C ATOM 1388 O GLU A 985 -6.693 35.314 3.287 1.00 23.83 O ATOM 1389 CB GLU A 985 -7.100 35.449 0.035 1.00 19.07 C ATOM 1390 CG GLU A 985 -8.505 35.312 0.614 1.00 20.31 C ATOM 1391 CD GLU A 985 -9.545 34.822 -0.378 1.00 41.90 C ATOM 1392 OE1 GLU A 985 -9.145 34.313 -1.446 1.00 30.15 O ATOM 1393 OE2 GLU A 985 -10.753 34.892 -0.072 1.00 46.24 O ATOM 1394 H GLU A 985 -4.537 35.613 -0.393 1.00 0.00 H ATOM 1395 N ASN A 986 -5.397 33.911 2.104 1.00 22.25 N ATOM 1396 CA ASN A 986 -5.226 32.938 3.188 1.00 22.67 C ATOM 1397 C ASN A 986 -3.958 32.143 2.875 1.00 25.36 C ATOM 1398 O ASN A 986 -3.338 32.366 1.829 1.00 22.81 O ATOM 1399 CB ASN A 986 -6.496 32.045 3.382 1.00 23.44 C ATOM 1400 CG ASN A 986 -6.883 31.258 2.163 1.00 27.63 C ATOM 1401 OD1 ASN A 986 -6.069 30.583 1.571 1.00 25.13 O ATOM 1402 ND2 ASN A 986 -8.135 31.328 1.735 1.00 25.85 N ATOM 1403 HD22 ASN A 986 -8.828 31.909 2.248 1.00 0.00 H ATOM 1404 HD21 ASN A 986 -8.425 30.802 0.886 1.00 0.00 H ATOM 1405 H ASN A 986 -4.975 33.707 1.176 1.00 0.00 H ATOM 1406 N GLU A 987 -3.590 31.185 3.742 1.00 25.59 N ATOM 1407 CA GLU A 987 -2.364 30.409 3.519 1.00 27.59 C ATOM 1408 C GLU A 987 -2.309 29.670 2.179 1.00 29.82 C ATOM 1409 O GLU A 987 -1.200 29.350 1.739 1.00 33.41 O ATOM 1410 CB GLU A 987 -2.119 29.416 4.694 1.00 29.80 C ATOM 1411 CG GLU A 987 -3.135 28.272 4.758 1.00 44.92 C ATOM 1412 CD GLU A 987 -2.676 26.919 5.287 1.00 73.23 C ATOM 1413 OE1 GLU A 987 -3.544 26.150 5.765 1.00 62.21 O ATOM 1414 OE2 GLU A 987 -1.471 26.597 5.166 1.00 68.46 O ATOM 1415 H GLU A 987 -4.178 30.992 4.578 1.00 0.00 H ATOM 1416 N ASN A 988 -3.477 29.408 1.537 1.00 25.78 N ATOM 1417 CA ASN A 988 -3.622 28.675 0.284 1.00 26.58 C ATOM 1418 C ASN A 988 -4.001 29.527 -0.940 1.00 30.15 C ATOM 1419 O ASN A 988 -4.254 28.948 -2.006 1.00 31.53 O ATOM 1420 CB ASN A 988 -4.706 27.620 0.428 1.00 30.38 C ATOM 1421 CG ASN A 988 -4.223 26.441 1.213 1.00 54.24 C ATOM 1422 OD1 ASN A 988 -3.218 25.836 0.865 1.00 54.09 O ATOM 1423 ND2 ASN A 988 -4.897 26.127 2.309 1.00 42.02 N ATOM 1424 HD22 ASN A 988 -5.747 26.667 2.569 1.00 0.00 H ATOM 1425 HD21 ASN A 988 -4.576 25.341 2.909 1.00 0.00 H ATOM 1426 H ASN A 988 -4.349 29.763 1.980 1.00 0.00 H ATOM 1427 N ARG A 989 -4.107 30.856 -0.796 1.00 23.37 N ATOM 1428 CA ARG A 989 -4.540 31.615 -1.968 1.00 21.12 C ATOM 1429 C ARG A 989 -3.958 33.016 -1.991 1.00 22.91 C ATOM 1430 O ARG A 989 -4.086 33.752 -1.017 1.00 20.73 O ATOM 1431 CB ARG A 989 -6.075 31.702 -2.046 1.00 22.71 C ATOM 1432 CG ARG A 989 -6.544 32.339 -3.386 1.00 31.33 C ATOM 1433 CD ARG A 989 -7.893 31.931 -3.927 1.00 34.79 C ATOM 1434 NE ARG A 989 -8.295 30.541 -3.703 1.00 46.74 N ATOM 1435 CZ ARG A 989 -9.542 30.098 -3.838 1.00 56.76 C ATOM 1436 NH1 ARG A 989 -10.523 30.937 -4.150 1.00 34.29 N ATOM 1437 NH2 ARG A 989 -9.826 28.823 -3.618 1.00 50.64 N ATOM 1438 HE ARG A 989 -7.562 29.859 -3.422 1.00 0.00 H ATOM 1439 HH12 ARG A 989 -11.496 30.584 -4.254 1.00 0.00 H ATOM 1440 HH11 ARG A 989 -10.319 31.947 -4.290 1.00 0.00 H ATOM 1441 HH22 ARG A 989 -10.803 28.482 -3.725 1.00 0.00 H ATOM 1442 HH21 ARG A 989 -9.072 28.163 -3.338 1.00 0.00 H ATOM 1443 H ARG A 989 -3.891 31.325 0.107 1.00 0.00 H ATOM 1444 N VAL A 990 -3.364 33.371 -3.131 1.00 19.53 N ATOM 1445 CA VAL A 990 -2.838 34.728 -3.362 1.00 18.60 C ATOM 1446 C VAL A 990 -3.626 35.353 -4.511 1.00 21.07 C ATOM 1447 O VAL A 990 -4.260 34.643 -5.310 1.00 20.06 O ATOM 1448 CB VAL A 990 -1.314 34.783 -3.589 1.00 21.92 C ATOM 1449 CG1 VAL A 990 -0.562 34.245 -2.367 1.00 21.41 C ATOM 1450 CG2 VAL A 990 -0.907 34.039 -4.874 1.00 22.35 C ATOM 1451 H VAL A 990 -3.268 32.663 -3.886 1.00 0.00 H ATOM 1452 N LYS A 991 -3.575 36.691 -4.595 1.00 19.45 N ATOM 1453 CA LYS A 991 -4.274 37.406 -5.657 1.00 18.20 C ATOM 1454 C LYS A 991 -3.407 38.545 -6.154 1.00 18.41 C ATOM 1455 O LYS A 991 -2.732 39.209 -5.339 1.00 18.74 O ATOM 1456 CB LYS A 991 -5.596 38.006 -5.109 1.00 19.00 C ATOM 1457 CG LYS A 991 -6.543 36.996 -4.446 1.00 20.05 C ATOM 1458 CD LYS A 991 -7.965 37.571 -4.433 1.00 20.85 C ATOM 1459 CE LYS A 991 -8.855 36.680 -3.603 1.00 24.82 C ATOM 1460 NZ LYS A 991 -10.286 37.064 -3.764 1.00 23.46 N ATOM 1461 HZ1 LYS A 991 -10.416 38.049 -3.457 1.00 0.00 H ATOM 1462 HZ2 LYS A 991 -10.558 36.973 -4.764 1.00 0.00 H ATOM 1463 HZ3 LYS A 991 -10.879 36.437 -3.184 1.00 0.00 H ATOM 1464 H LYS A 991 -3.028 37.227 -3.891 1.00 0.00 H ATOM 1465 N ILE A 992 -3.474 38.833 -7.446 1.00 16.69 N ATOM 1466 CA ILE A 992 -2.825 40.053 -7.987 1.00 16.89 C ATOM 1467 C ILE A 992 -3.623 41.206 -7.341 1.00 19.17 C ATOM 1468 O ILE A 992 -4.853 41.206 -7.372 1.00 18.19 O ATOM 1469 CB ILE A 992 -2.860 40.097 -9.512 1.00 20.31 C ATOM 1470 CG1 ILE A 992 -2.108 38.862 -10.076 1.00 20.33 C ATOM 1471 CG2 ILE A 992 -2.164 41.406 -10.003 1.00 20.00 C ATOM 1472 CD1 ILE A 992 -2.494 38.552 -11.438 1.00 24.77 C ATOM 1473 H ILE A 992 -3.988 38.196 -8.088 1.00 0.00 H ATOM 1474 N GLY A 993 -2.927 42.094 -6.651 1.00 15.95 N ATOM 1475 CA GLY A 993 -3.605 43.027 -5.765 1.00 16.35 C ATOM 1476 C GLY A 993 -3.651 44.499 -6.083 1.00 20.29 C ATOM 1477 O GLY A 993 -4.181 45.272 -5.275 1.00 19.33 O ATOM 1478 H GLY A 993 -1.891 42.125 -6.742 1.00 0.00 H ATOM 1479 N ASP A 994 -3.139 44.874 -7.261 1.00 19.26 N ATOM 1480 CA ASP A 994 -3.117 46.278 -7.685 1.00 19.69 C ATOM 1481 C ASP A 994 -2.957 46.365 -9.181 1.00 23.73 C ATOM 1482 O ASP A 994 -2.297 45.512 -9.775 1.00 22.81 O ATOM 1483 CB ASP A 994 -1.987 47.034 -7.001 1.00 21.46 C ATOM 1484 CG ASP A 994 -2.053 48.527 -7.264 1.00 26.97 C ATOM 1485 OD1 ASP A 994 -2.860 49.206 -6.587 1.00 25.95 O ATOM 1486 OD2 ASP A 994 -1.335 48.999 -8.193 1.00 24.74 O ATOM 1487 H ASP A 994 -2.745 44.149 -7.894 1.00 0.00 H ATOM 1488 N PHE A 995 -3.597 47.372 -9.810 1.00 19.09 N ATOM 1489 CA PHE A 995 -3.558 47.493 -11.266 1.00 18.97 C ATOM 1490 C PHE A 995 -3.239 48.935 -11.679 1.00 22.54 C ATOM 1491 O PHE A 995 -3.614 49.346 -12.778 1.00 21.95 O ATOM 1492 CB PHE A 995 -4.918 47.020 -11.844 1.00 20.40 C ATOM 1493 CG PHE A 995 -5.101 45.523 -11.641 1.00 20.66 C ATOM 1494 CD1 PHE A 995 -4.627 44.619 -12.581 1.00 22.69 C ATOM 1495 CD2 PHE A 995 -5.648 45.022 -10.455 1.00 22.35 C ATOM 1496 CE1 PHE A 995 -4.689 43.234 -12.341 1.00 23.53 C ATOM 1497 CE2 PHE A 995 -5.692 43.629 -10.204 1.00 24.29 C ATOM 1498 CZ PHE A 995 -5.224 42.751 -11.159 1.00 23.23 C ATOM 1499 H PHE A 995 -4.126 48.072 -9.251 1.00 0.00 H ATOM 1500 N GLY A 996 -2.512 49.648 -10.815 1.00 22.87 N ATOM 1501 CA GLY A 996 -2.164 51.056 -11.020 1.00 23.68 C ATOM 1502 C GLY A 996 -1.438 51.393 -12.312 1.00 27.74 C ATOM 1503 O GLY A 996 -1.538 52.523 -12.795 1.00 27.70 O ATOM 1504 H GLY A 996 -2.175 49.178 -9.950 1.00 0.00 H ATOM 1505 N LEU A 997 -0.667 50.446 -12.877 1.00 21.86 N ATOM 1506 CA LEU A 997 0.087 50.698 -14.117 1.00 21.74 C ATOM 1507 C LEU A 997 -0.446 49.896 -15.314 1.00 23.26 C ATOM 1508 O LEU A 997 0.142 49.952 -16.405 1.00 21.33 O ATOM 1509 CB LEU A 997 1.582 50.378 -13.896 1.00 21.76 C ATOM 1510 CG LEU A 997 2.319 51.200 -12.815 1.00 27.14 C ATOM 1511 CD1 LEU A 997 3.763 50.808 -12.763 1.00 26.22 C ATOM 1512 CD2 LEU A 997 2.238 52.681 -13.093 1.00 33.12 C ATOM 1513 H LEU A 997 -0.602 49.511 -12.426 1.00 0.00 H ATOM 1514 N THR A 998 -1.569 49.189 -15.114 1.00 19.23 N ATOM 1515 CA THR A 998 -2.137 48.302 -16.126 1.00 19.76 C ATOM 1516 C THR A 998 -2.626 49.075 -17.340 1.00 24.47 C ATOM 1517 O THR A 998 -3.311 50.093 -17.182 1.00 23.94 O ATOM 1518 CB THR A 998 -3.213 47.366 -15.511 1.00 22.80 C ATOM 1519 OG1 THR A 998 -2.578 46.587 -14.490 1.00 20.72 O ATOM 1520 CG2 THR A 998 -3.832 46.406 -16.529 1.00 19.03 C ATOM 1521 HG1 THR A 998 -2.209 47.191 -13.798 1.00 0.00 H ATOM 1522 H THR A 998 -2.056 49.276 -14.199 1.00 0.00 H ATOM 1523 N LYS A 999 -2.272 48.579 -18.535 1.00 20.38 N ATOM 1524 CA LYS A 999 -2.663 49.188 -19.820 1.00 21.35 C ATOM 1525 C LYS A 999 -3.394 48.191 -20.685 1.00 26.47 C ATOM 1526 O LYS A 999 -3.216 46.989 -20.531 1.00 24.99 O ATOM 1527 CB LYS A 999 -1.425 49.705 -20.577 1.00 22.91 C ATOM 1528 CG LYS A 999 -0.658 50.790 -19.844 1.00 26.79 C ATOM 1529 CD LYS A 999 -1.406 52.128 -19.797 1.00 31.49 C ATOM 1530 CE LYS A 999 -0.609 53.187 -19.079 1.00 32.10 C ATOM 1531 NZ LYS A 999 -1.292 54.504 -19.058 1.00 36.48 N ATOM 1532 HZ1 LYS A 999 -1.447 54.829 -20.034 1.00 0.00 H ATOM 1533 HZ2 LYS A 999 -2.207 54.411 -18.573 1.00 0.00 H ATOM 1534 HZ3 LYS A 999 -0.699 55.193 -18.552 1.00 0.00 H ATOM 1535 H LYS A 999 -1.690 47.718 -18.557 1.00 0.00 H ATOM 1536 N VAL A1000 -4.229 48.690 -21.605 1.00 24.10 N ATOM 1537 CA VAL A1000 -4.970 47.835 -22.541 1.00 24.62 C ATOM 1538 C VAL A1000 -4.215 47.932 -23.849 1.00 29.24 C ATOM 1539 O VAL A1000 -3.890 49.049 -24.290 1.00 28.26 O ATOM 1540 CB VAL A1000 -6.449 48.274 -22.697 1.00 29.70 C ATOM 1541 CG1 VAL A1000 -7.227 47.271 -23.562 1.00 29.15 C ATOM 1542 CG2 VAL A1000 -7.123 48.449 -21.332 1.00 30.42 C ATOM 1543 H VAL A1000 -4.357 49.721 -21.659 1.00 0.00 H ATOM 1544 N LEU A1001 -3.896 46.782 -24.469 1.00 23.47 N ATOM 1545 CA LEU A1001 -3.163 46.812 -25.731 1.00 23.85 C ATOM 1546 C LEU A1001 -4.012 47.504 -26.803 1.00 28.93 C ATOM 1547 O LEU A1001 -5.228 47.349 -26.780 1.00 28.16 O ATOM 1548 CB LEU A1001 -2.867 45.384 -26.235 1.00 23.78 C ATOM 1549 CG LEU A1001 -1.791 44.595 -25.482 1.00 26.27 C ATOM 1550 CD1 LEU A1001 -1.704 43.158 -26.022 1.00 25.01 C ATOM 1551 CD2 LEU A1001 -0.454 45.236 -25.651 1.00 25.70 C ATOM 1552 H LEU A1001 -4.172 45.871 -24.049 1.00 0.00 H ATOM 1553 N PRO A1002 -3.404 48.200 -27.781 1.00 27.73 N ATOM 1554 CA PRO A1002 -4.215 48.704 -28.919 1.00 28.12 C ATOM 1555 C PRO A1002 -4.805 47.486 -29.650 1.00 33.37 C ATOM 1556 O PRO A1002 -4.228 46.393 -29.589 1.00 29.99 O ATOM 1557 CB PRO A1002 -3.193 49.437 -29.802 1.00 29.62 C ATOM 1558 CG PRO A1002 -1.956 49.556 -28.987 1.00 34.94 C ATOM 1559 CD PRO A1002 -1.962 48.426 -28.002 1.00 29.80 C ATOM 1560 N GLN A1003 -5.947 47.639 -30.342 1.00 34.26 N ATOM 1561 CA GLN A1003 -6.585 46.507 -31.054 1.00 34.90 C ATOM 1562 C GLN A1003 -5.684 45.824 -32.101 1.00 38.45 C ATOM 1563 O GLN A1003 -5.783 44.618 -32.301 1.00 38.77 O ATOM 1564 CB GLN A1003 -7.893 46.959 -31.742 1.00 37.51 C ATOM 1565 CG GLN A1003 -9.020 47.335 -30.777 1.00 67.61 C ATOM 1566 CD GLN A1003 -10.174 48.037 -31.480 1.00 97.62 C ATOM 1567 OE1 GLN A1003 -10.732 47.553 -32.478 1.00 96.12 O ATOM 1568 NE2 GLN A1003 -10.574 49.194 -30.962 1.00 87.99 N ATOM 1569 HE22 GLN A1003 -10.094 49.583 -30.126 1.00 0.00 H ATOM 1570 HE21 GLN A1003 -11.367 49.710 -31.393 1.00 0.00 H ATOM 1571 H GLN A1003 -6.395 48.577 -30.379 1.00 0.00 H ATOM 1572 N ASP A1004 -4.785 46.592 -32.725 1.00 33.85 N ATOM 1573 CA ASP A1004 -3.940 46.162 -33.833 1.00 34.41 C ATOM 1574 C ASP A1004 -2.451 45.957 -33.523 1.00 35.30 C ATOM 1575 O ASP A1004 -1.672 45.726 -34.453 1.00 34.86 O ATOM 1576 CB ASP A1004 -4.093 47.200 -34.975 1.00 36.91 C ATOM 1577 CG ASP A1004 -3.530 48.579 -34.635 1.00 47.69 C ATOM 1578 OD1 ASP A1004 -3.812 49.086 -33.512 1.00 47.22 O ATOM 1579 OD2 ASP A1004 -2.818 49.153 -35.485 1.00 51.55 O ATOM 1580 H ASP A1004 -4.680 47.572 -32.394 1.00 0.00 H ATOM 1581 N LYS A1005 -2.036 46.032 -32.235 1.00 30.79 N ATOM 1582 CA LYS A1005 -0.614 45.853 -31.908 1.00 29.61 C ATOM 1583 C LYS A1005 -0.481 44.942 -30.694 1.00 29.87 C ATOM 1584 O LYS A1005 -1.395 44.889 -29.891 1.00 29.98 O ATOM 1585 CB LYS A1005 0.080 47.197 -31.625 1.00 31.97 C ATOM 1586 CG LYS A1005 0.165 48.170 -32.826 1.00 37.59 C ATOM 1587 CD LYS A1005 1.140 47.709 -33.904 1.00 47.84 C ATOM 1588 CE LYS A1005 2.286 48.669 -34.079 1.00 62.31 C ATOM 1589 NZ LYS A1005 3.261 48.180 -35.098 1.00 61.97 N ATOM 1590 HZ1 LYS A1005 3.644 47.261 -34.796 1.00 0.00 H ATOM 1591 HZ2 LYS A1005 2.779 48.072 -36.013 1.00 0.00 H ATOM 1592 HZ3 LYS A1005 4.036 48.867 -35.192 1.00 0.00 H ATOM 1593 H LYS A1005 -2.724 46.216 -31.477 1.00 0.00 H ATOM 1594 N GLU A1006 0.641 44.235 -30.592 1.00 26.62 N ATOM 1595 CA GLU A1006 0.916 43.295 -29.493 1.00 25.17 C ATOM 1596 C GLU A1006 1.773 43.930 -28.398 1.00 28.76 C ATOM 1597 O GLU A1006 2.203 43.256 -27.458 1.00 27.09 O ATOM 1598 CB GLU A1006 1.552 41.999 -30.029 1.00 26.12 C ATOM 1599 CG GLU A1006 0.609 41.177 -30.897 1.00 29.06 C ATOM 1600 CD GLU A1006 -0.668 40.789 -30.183 1.00 38.30 C ATOM 1601 OE1 GLU A1006 -1.730 41.361 -30.517 1.00 38.52 O ATOM 1602 OE2 GLU A1006 -0.602 39.939 -29.265 1.00 39.69 O ATOM 1603 H GLU A1006 1.364 44.353 -31.330 1.00 0.00 H HETATM 1604 N PTR A1007 1.993 45.240 -28.496 1.00 25.86 N HETATM 1605 CA PTR A1007 2.740 45.981 -27.478 1.00 25.05 C HETATM 1606 C PTR A1007 2.145 47.360 -27.323 1.00 29.88 C HETATM 1607 O PTR A1007 1.479 47.860 -28.250 1.00 28.16 O HETATM 1608 CB PTR A1007 4.257 46.030 -27.705 1.00 25.29 C HETATM 1609 CG PTR A1007 4.563 46.780 -29.041 1.00 27.73 C HETATM 1610 CD2 PTR A1007 4.645 48.196 -29.080 1.00 30.01 C HETATM 1611 CE2 PTR A1007 4.889 48.873 -30.312 1.00 31.52 C HETATM 1612 CZ PTR A1007 5.129 48.111 -31.502 1.00 34.98 C HETATM 1613 OH PTR A1007 5.370 48.829 -32.687 1.00 40.24 O HETATM 1614 P PTR A1007 6.558 48.421 -33.621 1.00 45.59 P HETATM 1615 O3P PTR A1007 6.032 47.261 -34.451 1.00 46.40 O HETATM 1616 O2P PTR A1007 8.002 48.135 -33.120 1.00 46.75 O HETATM 1617 O1P PTR A1007 6.611 49.560 -34.638 1.00 46.35 O HETATM 1618 CE1 PTR A1007 5.097 46.700 -31.433 1.00 32.53 C HETATM 1619 CD1 PTR A1007 4.797 46.016 -30.210 1.00 29.13 C HETATM 1620 H PTR A1007 1.623 45.753 -29.322 1.00 0.00 H HETATM 1621 N PTR A1008 2.429 47.994 -26.185 1.00 26.90 N HETATM 1622 CA PTR A1008 2.006 49.356 -25.866 1.00 27.32 C HETATM 1623 C PTR A1008 3.259 50.092 -25.417 1.00 28.99 C HETATM 1624 O PTR A1008 4.009 49.582 -24.575 1.00 26.62 O HETATM 1625 CB PTR A1008 0.964 49.234 -24.729 1.00 31.33 C HETATM 1626 CG PTR A1008 0.233 50.476 -24.291 1.00 38.30 C HETATM 1627 CD2 PTR A1008 -1.140 50.674 -24.582 1.00 42.20 C HETATM 1628 CE2 PTR A1008 -1.789 51.872 -24.111 1.00 46.31 C HETATM 1629 CZ PTR A1008 -1.016 52.862 -23.363 1.00 48.48 C HETATM 1630 OH PTR A1008 -1.431 54.034 -22.709 1.00 56.53 O HETATM 1631 P PTR A1008 -2.363 54.997 -23.333 1.00 61.80 P HETATM 1632 O3P PTR A1008 -2.661 56.043 -22.265 1.00 63.36 O HETATM 1633 O2P PTR A1008 -3.680 54.340 -23.722 1.00 62.28 O HETATM 1634 O1P PTR A1008 -1.541 55.600 -24.498 1.00 63.24 O HETATM 1635 CE1 PTR A1008 0.300 52.583 -23.084 1.00 43.78 C HETATM 1636 CD1 PTR A1008 0.911 51.430 -23.509 1.00 41.41 C HETATM 1637 H PTR A1008 2.991 47.483 -25.474 1.00 0.00 H ATOM 1638 N LYS A1009 3.495 51.294 -25.967 1.00 26.48 N ATOM 1639 CA LYS A1009 4.647 52.104 -25.594 1.00 25.28 C ATOM 1640 C LYS A1009 4.155 53.167 -24.623 1.00 30.17 C ATOM 1641 O LYS A1009 3.174 53.866 -24.910 1.00 29.53 O ATOM 1642 CB LYS A1009 5.308 52.783 -26.832 1.00 28.11 C ATOM 1643 CG LYS A1009 6.128 51.842 -27.710 1.00 43.46 C ATOM 1644 CD LYS A1009 7.014 52.636 -28.672 1.00 51.29 C ATOM 1645 CE LYS A1009 7.781 51.738 -29.600 1.00 70.20 C ATOM 1646 NZ LYS A1009 8.585 52.499 -30.592 1.00 77.73 N ATOM 1647 HZ1 LYS A1009 7.953 53.091 -31.168 1.00 0.00 H ATOM 1648 HZ2 LYS A1009 9.268 53.103 -30.092 1.00 0.00 H ATOM 1649 HZ3 LYS A1009 9.094 51.833 -31.208 1.00 0.00 H ATOM 1650 H LYS A1009 2.834 51.659 -26.682 1.00 0.00 H ATOM 1651 N VAL A1010 4.825 53.282 -23.485 1.00 28.96 N ATOM 1652 CA VAL A1010 4.554 54.265 -22.422 1.00 30.79 C ATOM 1653 C VAL A1010 5.807 54.595 -21.734 1.00 33.73 C ATOM 1654 O VAL A1010 6.581 53.703 -21.439 1.00 33.98 O ATOM 1655 CB VAL A1010 3.576 53.831 -21.284 1.00 37.80 C ATOM 1656 CG1 VAL A1010 2.318 54.686 -21.260 1.00 39.48 C ATOM 1657 CG2 VAL A1010 3.323 52.329 -21.206 1.00 37.05 C ATOM 1658 H VAL A1010 5.611 52.620 -23.329 1.00 0.00 H ATOM 1659 N LYS A1011 5.948 55.855 -21.317 1.00 34.17 N ATOM 1660 CA LYS A1011 7.076 56.244 -20.483 1.00 37.18 C ATOM 1661 C LYS A1011 6.468 57.147 -19.438 1.00 46.65 C ATOM 1662 O LYS A1011 6.075 58.270 -19.748 1.00 45.63 O ATOM 1663 CB LYS A1011 8.211 56.946 -21.238 1.00 40.42 C ATOM 1664 CG LYS A1011 9.525 56.748 -20.484 1.00 58.72 C ATOM 1665 CD LYS A1011 10.577 57.774 -20.760 1.00 70.08 C ATOM 1666 CE LYS A1011 11.679 57.559 -19.764 1.00 82.44 C ATOM 1667 H LYS A1011 5.243 56.568 -21.591 1.00 0.00 H ATOM 1668 N GLU A1012 6.300 56.623 -18.236 1.00 48.14 N ATOM 1669 CA GLU A1012 5.691 57.398 -17.172 1.00 50.84 C ATOM 1670 C GLU A1012 6.731 58.213 -16.432 1.00 59.26 C ATOM 1671 O GLU A1012 7.808 57.689 -16.137 1.00 58.66 O ATOM 1672 CB GLU A1012 4.971 56.476 -16.170 1.00 52.35 C ATOM 1673 H GLU A1012 6.607 55.647 -18.052 1.00 0.00 H ATOM 1674 N PRO A1013 6.430 59.474 -16.044 1.00 60.39 N ATOM 1675 CA PRO A1013 7.352 60.151 -15.121 1.00 61.44 C ATOM 1676 C PRO A1013 7.092 59.533 -13.738 1.00 65.42 C ATOM 1677 O PRO A1013 6.014 58.973 -13.473 1.00 64.39 O ATOM 1678 CB PRO A1013 6.941 61.627 -15.205 1.00 63.43 C ATOM 1679 CG PRO A1013 5.503 61.603 -15.566 1.00 67.81 C ATOM 1680 CD PRO A1013 5.207 60.282 -16.267 1.00 62.76 C ATOM 1681 N GLY A1014 8.088 59.616 -12.883 1.00 62.78 N ATOM 1682 CA GLY A1014 8.057 58.981 -11.574 1.00 62.71 C ATOM 1683 C GLY A1014 9.108 57.896 -11.570 1.00 64.92 C ATOM 1684 O GLY A1014 9.835 57.745 -12.557 1.00 65.59 O ATOM 1685 H GLY A1014 8.933 60.158 -13.154 1.00 0.00 H ATOM 1686 N GLU A1015 9.220 57.148 -10.474 1.00 58.32 N ATOM 1687 CA GLU A1015 10.206 56.076 -10.421 1.00 56.19 C ATOM 1688 C GLU A1015 9.613 54.818 -11.053 1.00 54.08 C ATOM 1689 O GLU A1015 8.530 54.387 -10.653 1.00 54.01 O ATOM 1690 CB GLU A1015 10.647 55.803 -8.973 1.00 57.73 C ATOM 1691 H GLU A1015 8.604 57.329 -9.656 1.00 0.00 H ATOM 1692 N SER A1016 10.296 54.259 -12.059 1.00 44.75 N ATOM 1693 CA SER A1016 9.872 53.010 -12.690 1.00 41.94 C ATOM 1694 C SER A1016 10.575 51.826 -12.014 1.00 38.55 C ATOM 1695 O SER A1016 11.737 51.957 -11.634 1.00 36.39 O ATOM 1696 CB SER A1016 10.175 53.022 -14.182 1.00 45.70 C ATOM 1697 OG SER A1016 9.122 53.652 -14.886 1.00 53.01 O ATOM 1698 HG SER A1016 9.329 53.654 -15.854 1.00 0.00 H ATOM 1699 H SER A1016 11.157 54.729 -12.404 1.00 0.00 H ATOM 1700 N PRO A1017 9.911 50.657 -11.870 1.00 31.39 N ATOM 1701 CA PRO A1017 10.597 49.509 -11.233 1.00 30.54 C ATOM 1702 C PRO A1017 11.541 48.845 -12.240 1.00 31.09 C ATOM 1703 O PRO A1017 11.295 47.725 -12.688 1.00 27.94 O ATOM 1704 CB PRO A1017 9.442 48.607 -10.794 1.00 32.51 C ATOM 1705 CG PRO A1017 8.381 48.876 -11.812 1.00 36.36 C ATOM 1706 CD PRO A1017 8.525 50.312 -12.262 1.00 31.25 C ATOM 1707 N ILE A1018 12.642 49.539 -12.584 1.00 28.21 N ATOM 1708 CA ILE A1018 13.600 49.110 -13.611 1.00 27.35 C ATOM 1709 C ILE A1018 14.190 47.718 -13.379 1.00 30.10 C ATOM 1710 O ILE A1018 14.507 47.047 -14.353 1.00 27.96 O ATOM 1711 CB ILE A1018 14.729 50.157 -13.869 1.00 30.95 C ATOM 1712 CG1 ILE A1018 15.598 50.440 -12.602 1.00 32.83 C ATOM 1713 CG2 ILE A1018 14.134 51.435 -14.462 1.00 31.35 C ATOM 1714 CD1 ILE A1018 17.007 51.044 -12.903 1.00 38.89 C ATOM 1715 H ILE A1018 12.826 50.436 -12.091 1.00 0.00 H ATOM 1716 N PHE A1019 14.347 47.280 -12.112 1.00 26.74 N ATOM 1717 CA PHE A1019 14.957 45.977 -11.847 1.00 26.29 C ATOM 1718 C PHE A1019 14.006 44.787 -12.102 1.00 26.60 C ATOM 1719 O PHE A1019 14.436 43.644 -11.997 1.00 24.23 O ATOM 1720 CB PHE A1019 15.595 45.932 -10.452 1.00 28.98 C ATOM 1721 CG PHE A1019 16.708 46.961 -10.348 1.00 31.53 C ATOM 1722 CD1 PHE A1019 17.836 46.874 -11.155 1.00 34.92 C ATOM 1723 CD2 PHE A1019 16.585 48.053 -9.496 1.00 36.14 C ATOM 1724 CE1 PHE A1019 18.853 47.839 -11.072 1.00 37.29 C ATOM 1725 CE2 PHE A1019 17.599 49.014 -9.413 1.00 39.41 C ATOM 1726 CZ PHE A1019 18.721 48.903 -10.209 1.00 37.72 C ATOM 1727 H PHE A1019 14.032 47.873 -11.318 1.00 0.00 H ATOM 1728 N TRP A1020 12.751 45.069 -12.511 1.00 23.96 N ATOM 1729 CA TRP A1020 11.766 44.063 -12.891 1.00 23.16 C ATOM 1730 C TRP A1020 11.468 44.187 -14.377 1.00 23.99 C ATOM 1731 O TRP A1020 10.795 43.327 -14.934 1.00 22.35 O ATOM 1732 CB TRP A1020 10.462 44.264 -12.098 1.00 21.61 C ATOM 1733 CG TRP A1020 10.454 43.634 -10.749 1.00 22.20 C ATOM 1734 CD1 TRP A1020 9.832 42.475 -10.399 1.00 24.09 C ATOM 1735 CD2 TRP A1020 11.099 44.121 -9.554 1.00 23.75 C ATOM 1736 NE1 TRP A1020 10.050 42.207 -9.065 1.00 24.36 N ATOM 1737 CE2 TRP A1020 10.838 43.189 -8.528 1.00 26.82 C ATOM 1738 CE3 TRP A1020 11.891 45.248 -9.260 1.00 26.44 C ATOM 1739 CZ2 TRP A1020 11.312 43.364 -7.215 1.00 27.28 C ATOM 1740 CZ3 TRP A1020 12.377 45.410 -7.964 1.00 28.00 C ATOM 1741 CH2 TRP A1020 12.084 44.483 -6.960 1.00 28.67 C ATOM 1742 HE1 TRP A1020 9.675 41.387 -8.547 1.00 0.00 H ATOM 1743 H TRP A1020 12.468 46.069 -12.558 1.00 0.00 H ATOM 1744 N TYR A1021 11.948 45.246 -15.013 1.00 22.61 N ATOM 1745 CA TYR A1021 11.707 45.498 -16.447 1.00 23.12 C ATOM 1746 C TYR A1021 12.420 44.599 -17.453 1.00 24.77 C ATOM 1747 O TYR A1021 13.627 44.396 -17.355 1.00 23.96 O ATOM 1748 CB TYR A1021 12.055 46.937 -16.811 1.00 26.10 C ATOM 1749 CG TYR A1021 10.976 47.968 -16.635 1.00 29.50 C ATOM 1750 CD1 TYR A1021 9.850 47.713 -15.861 1.00 30.37 C ATOM 1751 CD2 TYR A1021 11.102 49.226 -17.210 1.00 31.90 C ATOM 1752 CE1 TYR A1021 8.834 48.665 -15.730 1.00 34.82 C ATOM 1753 CE2 TYR A1021 10.124 50.196 -17.044 1.00 33.85 C ATOM 1754 CZ TYR A1021 8.995 49.921 -16.303 1.00 39.92 C ATOM 1755 OH TYR A1021 8.046 50.910 -16.211 1.00 47.07 O ATOM 1756 HH TYR A1021 7.291 50.590 -15.656 1.00 0.00 H ATOM 1757 H TYR A1021 12.520 45.930 -14.478 1.00 0.00 H ATOM 1758 N ALA A1022 11.703 44.220 -18.536 1.00 20.68 N ATOM 1759 CA ALA A1022 12.265 43.507 -19.664 1.00 20.00 C ATOM 1760 C ALA A1022 13.225 44.501 -20.395 1.00 24.55 C ATOM 1761 O ALA A1022 13.033 45.717 -20.282 1.00 24.50 O ATOM 1762 CB ALA A1022 11.128 43.040 -20.599 1.00 20.46 C ATOM 1763 H ALA A1022 10.690 44.454 -18.560 1.00 0.00 H ATOM 1764 N PRO A1023 14.276 44.048 -21.088 1.00 24.03 N ATOM 1765 CA PRO A1023 15.193 44.989 -21.784 1.00 23.60 C ATOM 1766 C PRO A1023 14.487 45.902 -22.784 1.00 25.00 C ATOM 1767 O PRO A1023 14.811 47.076 -22.812 1.00 27.37 O ATOM 1768 CB PRO A1023 16.180 44.062 -22.514 1.00 25.81 C ATOM 1769 CG PRO A1023 16.058 42.772 -21.838 1.00 30.58 C ATOM 1770 CD PRO A1023 14.684 42.654 -21.300 1.00 25.93 C ATOM 1771 N GLU A1024 13.501 45.396 -23.562 1.00 23.06 N ATOM 1772 CA GLU A1024 12.762 46.233 -24.532 1.00 22.53 C ATOM 1773 C GLU A1024 11.897 47.290 -23.823 1.00 25.57 C ATOM 1774 O GLU A1024 11.560 48.301 -24.437 1.00 26.38 O ATOM 1775 CB GLU A1024 11.955 45.399 -25.562 1.00 23.41 C ATOM 1776 CG GLU A1024 10.713 44.704 -25.021 1.00 19.54 C ATOM 1777 CD GLU A1024 10.965 43.447 -24.180 1.00 23.47 C ATOM 1778 OE1 GLU A1024 12.134 43.012 -24.029 1.00 24.33 O ATOM 1779 OE2 GLU A1024 9.958 42.836 -23.772 1.00 23.00 O ATOM 1780 H GLU A1024 13.256 44.389 -23.475 1.00 0.00 H ATOM 1781 N SER A1025 11.526 47.061 -22.538 1.00 21.19 N ATOM 1782 CA SER A1025 10.789 48.073 -21.794 1.00 20.95 C ATOM 1783 C SER A1025 11.795 49.150 -21.383 1.00 26.58 C ATOM 1784 O SER A1025 11.463 50.331 -21.443 1.00 26.24 O ATOM 1785 CB SER A1025 10.121 47.491 -20.554 1.00 22.87 C ATOM 1786 OG SER A1025 9.260 46.427 -20.908 1.00 22.75 O ATOM 1787 HG SER A1025 8.836 46.062 -20.092 1.00 0.00 H ATOM 1788 H SER A1025 11.769 46.158 -22.082 1.00 0.00 H ATOM 1789 N LEU A1026 13.018 48.761 -21.000 1.00 23.41 N ATOM 1790 CA LEU A1026 14.051 49.742 -20.609 1.00 24.42 C ATOM 1791 C LEU A1026 14.516 50.589 -21.812 1.00 31.13 C ATOM 1792 O LEU A1026 14.669 51.801 -21.679 1.00 30.19 O ATOM 1793 CB LEU A1026 15.285 49.036 -20.025 1.00 24.99 C ATOM 1794 CG LEU A1026 15.122 48.323 -18.683 1.00 28.72 C ATOM 1795 CD1 LEU A1026 16.260 47.362 -18.451 1.00 28.49 C ATOM 1796 CD2 LEU A1026 15.008 49.309 -17.559 1.00 33.16 C ATOM 1797 H LEU A1026 13.245 47.746 -20.977 1.00 0.00 H ATOM 1798 N THR A1027 14.744 49.945 -22.967 1.00 27.86 N ATOM 1799 CA THR A1027 15.305 50.604 -24.159 1.00 27.87 C ATOM 1800 C THR A1027 14.274 51.298 -25.026 1.00 33.54 C ATOM 1801 O THR A1027 14.556 52.367 -25.571 1.00 32.43 O ATOM 1802 CB THR A1027 16.064 49.603 -25.020 1.00 33.17 C ATOM 1803 OG1 THR A1027 15.156 48.615 -25.496 1.00 34.64 O ATOM 1804 CG2 THR A1027 17.230 48.960 -24.294 1.00 34.21 C ATOM 1805 HG1 THR A1027 15.645 47.962 -26.056 1.00 0.00 H ATOM 1806 H THR A1027 14.514 48.932 -23.023 1.00 0.00 H ATOM 1807 N GLU A1028 13.102 50.675 -25.203 1.00 27.55 N ATOM 1808 CA GLU A1028 12.075 51.206 -26.118 1.00 27.57 C ATOM 1809 C GLU A1028 10.739 51.546 -25.477 1.00 27.70 C ATOM 1810 O GLU A1028 9.824 51.963 -26.197 1.00 26.60 O ATOM 1811 CB GLU A1028 11.842 50.202 -27.250 1.00 29.27 C ATOM 1812 CG GLU A1028 13.038 49.996 -28.161 1.00 39.96 C ATOM 1813 CD GLU A1028 12.701 49.067 -29.305 1.00 61.64 C ATOM 1814 OE1 GLU A1028 12.574 49.542 -30.455 1.00 70.88 O ATOM 1815 OE2 GLU A1028 12.531 47.858 -29.038 1.00 54.73 O ATOM 1816 H GLU A1028 12.911 49.795 -24.682 1.00 0.00 H ATOM 1817 N SER A1029 10.612 51.379 -24.140 1.00 23.63 N ATOM 1818 CA SER A1029 9.383 51.628 -23.387 1.00 24.00 C ATOM 1819 C SER A1029 8.238 50.762 -23.926 1.00 25.67 C ATOM 1820 O SER A1029 7.083 51.160 -23.884 1.00 25.00 O ATOM 1821 CB SER A1029 9.014 53.116 -23.416 1.00 28.99 C ATOM 1822 OG SER A1029 10.149 53.916 -23.140 1.00 34.51 O ATOM 1823 HG SER A1029 10.846 53.744 -23.822 1.00 0.00 H ATOM 1824 H SER A1029 11.446 51.051 -23.612 1.00 0.00 H ATOM 1825 N LYS A1030 8.566 49.579 -24.469 1.00 23.06 N ATOM 1826 CA LYS A1030 7.579 48.656 -25.026 1.00 22.14 C ATOM 1827 C LYS A1030 7.134 47.670 -23.966 1.00 24.41 C ATOM 1828 O LYS A1030 7.976 46.980 -23.405 1.00 23.29 O ATOM 1829 CB LYS A1030 8.171 47.872 -26.208 1.00 24.27 C ATOM 1830 CG LYS A1030 8.230 48.680 -27.509 1.00 30.63 C ATOM 1831 CD LYS A1030 8.981 47.947 -28.636 1.00 39.97 C ATOM 1832 CE LYS A1030 8.128 46.950 -29.360 1.00 49.79 C ATOM 1833 NZ LYS A1030 8.754 46.506 -30.638 1.00 54.70 N ATOM 1834 HZ1 LYS A1030 8.892 47.329 -31.259 1.00 0.00 H ATOM 1835 HZ2 LYS A1030 9.673 46.063 -30.437 1.00 0.00 H ATOM 1836 HZ3 LYS A1030 8.131 45.817 -31.107 1.00 0.00 H ATOM 1837 H LYS A1030 9.569 49.306 -24.495 1.00 0.00 H ATOM 1838 N PHE A1031 5.828 47.603 -23.714 1.00 22.40 N ATOM 1839 CA PHE A1031 5.204 46.694 -22.732 1.00 21.46 C ATOM 1840 C PHE A1031 4.279 45.753 -23.441 1.00 23.45 C ATOM 1841 O PHE A1031 3.544 46.159 -24.351 1.00 22.80 O ATOM 1842 CB PHE A1031 4.497 47.476 -21.611 1.00 22.41 C ATOM 1843 CG PHE A1031 5.500 48.281 -20.813 1.00 22.75 C ATOM 1844 CD1 PHE A1031 5.878 49.561 -21.227 1.00 26.17 C ATOM 1845 CD2 PHE A1031 6.091 47.752 -19.674 1.00 22.63 C ATOM 1846 CE1 PHE A1031 6.832 50.293 -20.519 1.00 24.89 C ATOM 1847 CE2 PHE A1031 7.024 48.499 -18.938 1.00 25.59 C ATOM 1848 CZ PHE A1031 7.383 49.768 -19.373 1.00 24.45 C ATOM 1849 H PHE A1031 5.201 48.238 -24.248 1.00 0.00 H ATOM 1850 N SER A1032 4.296 44.482 -23.024 1.00 18.72 N ATOM 1851 CA SER A1032 3.535 43.443 -23.710 1.00 17.86 C ATOM 1852 C SER A1032 3.292 42.288 -22.755 1.00 18.58 C ATOM 1853 O SER A1032 3.805 42.279 -21.635 1.00 17.36 O ATOM 1854 CB SER A1032 4.357 42.917 -24.886 1.00 18.76 C ATOM 1855 OG SER A1032 5.584 42.329 -24.463 1.00 22.42 O ATOM 1856 HG SER A1032 6.126 43.006 -23.986 1.00 0.00 H ATOM 1857 H SER A1032 4.865 44.228 -22.191 1.00 0.00 H ATOM 1858 N VAL A1033 2.587 41.263 -23.245 1.00 17.31 N ATOM 1859 CA VAL A1033 2.401 40.045 -22.419 1.00 16.91 C ATOM 1860 C VAL A1033 3.814 39.493 -22.172 1.00 19.54 C ATOM 1861 O VAL A1033 4.105 39.066 -21.054 1.00 18.77 O ATOM 1862 CB VAL A1033 1.484 39.031 -23.137 1.00 21.04 C ATOM 1863 CG1 VAL A1033 1.501 37.656 -22.433 1.00 20.62 C ATOM 1864 CG2 VAL A1033 0.064 39.566 -23.179 1.00 22.41 C ATOM 1865 H VAL A1033 2.173 41.319 -24.197 1.00 0.00 H ATOM 1866 N ALA A1034 4.697 39.535 -23.192 1.00 18.33 N ATOM 1867 CA ALA A1034 6.064 39.021 -23.056 1.00 19.29 C ATOM 1868 C ALA A1034 6.899 39.791 -22.013 1.00 20.79 C ATOM 1869 O ALA A1034 7.752 39.186 -21.333 1.00 18.59 O ATOM 1870 CB ALA A1034 6.757 39.004 -24.408 1.00 21.09 C ATOM 1871 H ALA A1034 4.399 39.944 -24.101 1.00 0.00 H ATOM 1872 N SER A1035 6.684 41.111 -21.860 1.00 17.55 N ATOM 1873 CA SER A1035 7.414 41.818 -20.794 1.00 18.10 C ATOM 1874 C SER A1035 6.803 41.465 -19.421 1.00 19.23 C ATOM 1875 O SER A1035 7.547 41.391 -18.452 1.00 18.72 O ATOM 1876 CB SER A1035 7.490 43.333 -21.028 1.00 20.61 C ATOM 1877 OG SER A1035 6.208 43.918 -21.095 1.00 21.01 O ATOM 1878 HG SER A1035 5.729 43.758 -20.244 1.00 0.00 H ATOM 1879 H SER A1035 6.020 41.618 -22.479 1.00 0.00 H ATOM 1880 N ASP A1036 5.482 41.171 -19.340 1.00 16.83 N ATOM 1881 CA ASP A1036 4.889 40.672 -18.083 1.00 15.76 C ATOM 1882 C ASP A1036 5.505 39.295 -17.747 1.00 19.68 C ATOM 1883 O ASP A1036 5.736 39.009 -16.585 1.00 18.87 O ATOM 1884 CB ASP A1036 3.348 40.560 -18.174 1.00 17.91 C ATOM 1885 CG ASP A1036 2.585 41.865 -17.921 1.00 19.93 C ATOM 1886 OD1 ASP A1036 3.215 42.859 -17.467 1.00 17.45 O ATOM 1887 OD2 ASP A1036 1.370 41.891 -18.174 1.00 18.85 O ATOM 1888 H ASP A1036 4.877 41.299 -20.176 1.00 0.00 H ATOM 1889 N VAL A1037 5.780 38.453 -18.762 1.00 17.65 N ATOM 1890 CA VAL A1037 6.429 37.132 -18.514 1.00 17.09 C ATOM 1891 C VAL A1037 7.841 37.377 -17.955 1.00 20.54 C ATOM 1892 O VAL A1037 8.254 36.675 -17.027 1.00 19.17 O ATOM 1893 CB VAL A1037 6.469 36.265 -19.807 1.00 20.62 C ATOM 1894 CG1 VAL A1037 7.382 35.037 -19.619 1.00 19.86 C ATOM 1895 CG2 VAL A1037 5.055 35.827 -20.204 1.00 20.27 C ATOM 1896 H VAL A1037 5.536 38.728 -19.735 1.00 0.00 H ATOM 1897 N TRP A1038 8.604 38.329 -18.541 1.00 18.96 N ATOM 1898 CA TRP A1038 9.950 38.649 -18.000 1.00 18.98 C ATOM 1899 C TRP A1038 9.830 38.996 -16.513 1.00 22.09 C ATOM 1900 O TRP A1038 10.547 38.429 -15.681 1.00 19.57 O ATOM 1901 CB TRP A1038 10.587 39.820 -18.763 1.00 18.14 C ATOM 1902 CG TRP A1038 11.905 40.282 -18.184 1.00 19.02 C ATOM 1903 CD1 TRP A1038 12.099 40.994 -17.038 1.00 21.43 C ATOM 1904 CD2 TRP A1038 13.205 40.069 -18.750 1.00 19.55 C ATOM 1905 NE1 TRP A1038 13.442 41.188 -16.818 1.00 21.75 N ATOM 1906 CE2 TRP A1038 14.147 40.641 -17.863 1.00 22.91 C ATOM 1907 CE3 TRP A1038 13.662 39.492 -19.942 1.00 20.62 C ATOM 1908 CZ2 TRP A1038 15.520 40.655 -18.133 1.00 22.81 C ATOM 1909 CZ3 TRP A1038 15.038 39.499 -20.204 1.00 22.49 C ATOM 1910 CH2 TRP A1038 15.946 40.030 -19.280 1.00 22.77 C ATOM 1911 HE1 TRP A1038 13.857 41.670 -15.995 1.00 0.00 H ATOM 1912 H TRP A1038 8.246 38.839 -19.374 1.00 0.00 H ATOM 1913 N SER A1039 8.914 39.917 -16.174 1.00 18.46 N ATOM 1914 CA SER A1039 8.716 40.335 -14.771 1.00 17.85 C ATOM 1915 C SER A1039 8.229 39.176 -13.912 1.00 20.42 C ATOM 1916 O SER A1039 8.628 39.079 -12.754 1.00 21.78 O ATOM 1917 CB SER A1039 7.730 41.500 -14.702 1.00 19.16 C ATOM 1918 OG SER A1039 8.275 42.578 -15.455 1.00 22.64 O ATOM 1919 HG SER A1039 9.147 42.842 -15.067 1.00 0.00 H ATOM 1920 H SER A1039 8.329 40.347 -16.918 1.00 0.00 H ATOM 1921 N PHE A1040 7.383 38.289 -14.469 1.00 17.52 N ATOM 1922 CA PHE A1040 6.945 37.082 -13.734 1.00 17.58 C ATOM 1923 C PHE A1040 8.206 36.254 -13.337 1.00 20.80 C ATOM 1924 O PHE A1040 8.259 35.679 -12.228 1.00 19.18 O ATOM 1925 CB PHE A1040 5.991 36.241 -14.602 1.00 18.00 C ATOM 1926 CG PHE A1040 5.824 34.869 -14.021 1.00 19.39 C ATOM 1927 CD1 PHE A1040 4.978 34.660 -12.933 1.00 22.59 C ATOM 1928 CD2 PHE A1040 6.603 33.804 -14.486 1.00 20.00 C ATOM 1929 CE1 PHE A1040 4.898 33.390 -12.321 1.00 24.94 C ATOM 1930 CE2 PHE A1040 6.513 32.540 -13.890 1.00 24.29 C ATOM 1931 CZ PHE A1040 5.648 32.341 -12.824 1.00 22.04 C ATOM 1932 H PHE A1040 7.031 38.455 -15.433 1.00 0.00 H ATOM 1933 N GLY A1041 9.198 36.185 -14.235 1.00 19.52 N ATOM 1934 CA GLY A1041 10.439 35.472 -13.911 1.00 19.11 C ATOM 1935 C GLY A1041 11.123 36.093 -12.702 1.00 21.30 C ATOM 1936 O GLY A1041 11.655 35.383 -11.852 1.00 20.78 O ATOM 1937 H GLY A1041 9.088 36.638 -15.165 1.00 0.00 H ATOM 1938 N VAL A1042 11.090 37.433 -12.595 1.00 17.91 N ATOM 1939 CA VAL A1042 11.662 38.168 -11.449 1.00 18.27 C ATOM 1940 C VAL A1042 10.825 37.855 -10.180 1.00 20.91 C ATOM 1941 O VAL A1042 11.396 37.631 -9.115 1.00 19.24 O ATOM 1942 CB VAL A1042 11.843 39.689 -11.702 1.00 21.71 C ATOM 1943 CG1 VAL A1042 12.582 40.340 -10.526 1.00 21.57 C ATOM 1944 CG2 VAL A1042 12.625 39.942 -13.006 1.00 22.13 C ATOM 1945 H VAL A1042 10.639 37.979 -13.357 1.00 0.00 H ATOM 1946 N VAL A1043 9.483 37.787 -10.301 1.00 17.72 N ATOM 1947 CA VAL A1043 8.618 37.393 -9.175 1.00 17.00 C ATOM 1948 C VAL A1043 9.024 35.993 -8.693 1.00 20.29 C ATOM 1949 O VAL A1043 9.120 35.755 -7.490 1.00 19.26 O ATOM 1950 CB VAL A1043 7.116 37.442 -9.564 1.00 19.24 C ATOM 1951 CG1 VAL A1043 6.229 36.787 -8.495 1.00 19.14 C ATOM 1952 CG2 VAL A1043 6.699 38.900 -9.781 1.00 19.10 C ATOM 1953 H VAL A1043 9.046 38.019 -11.216 1.00 0.00 H ATOM 1954 N LEU A1044 9.236 35.064 -9.633 1.00 18.37 N ATOM 1955 CA LEU A1044 9.586 33.689 -9.263 1.00 17.29 C ATOM 1956 C LEU A1044 10.942 33.691 -8.531 1.00 20.65 C ATOM 1957 O LEU A1044 11.083 32.989 -7.533 1.00 19.91 O ATOM 1958 CB LEU A1044 9.594 32.812 -10.530 1.00 17.87 C ATOM 1959 CG LEU A1044 9.902 31.318 -10.317 1.00 20.71 C ATOM 1960 CD1 LEU A1044 8.897 30.699 -9.325 1.00 19.81 C ATOM 1961 CD2 LEU A1044 9.816 30.571 -11.651 1.00 20.95 C ATOM 1962 H LEU A1044 9.152 35.320 -10.637 1.00 0.00 H ATOM 1963 N TYR A1045 11.911 34.505 -8.997 1.00 19.17 N ATOM 1964 CA TYR A1045 13.193 34.707 -8.322 1.00 19.69 C ATOM 1965 C TYR A1045 12.927 35.238 -6.889 1.00 23.96 C ATOM 1966 O TYR A1045 13.430 34.677 -5.908 1.00 22.24 O ATOM 1967 CB TYR A1045 14.046 35.708 -9.128 1.00 20.64 C ATOM 1968 CG TYR A1045 15.273 36.176 -8.390 1.00 21.79 C ATOM 1969 CD1 TYR A1045 16.449 35.437 -8.423 1.00 24.35 C ATOM 1970 CD2 TYR A1045 15.241 37.322 -7.598 1.00 21.48 C ATOM 1971 CE1 TYR A1045 17.558 35.817 -7.673 1.00 26.08 C ATOM 1972 CE2 TYR A1045 16.347 37.716 -6.848 1.00 23.25 C ATOM 1973 CZ TYR A1045 17.503 36.956 -6.890 1.00 28.63 C ATOM 1974 OH TYR A1045 18.602 37.314 -6.158 1.00 28.39 O ATOM 1975 HH TYR A1045 18.367 37.328 -5.197 1.00 0.00 H ATOM 1976 H TYR A1045 11.737 35.017 -9.885 1.00 0.00 H ATOM 1977 N GLU A1046 12.110 36.316 -6.762 1.00 20.84 N ATOM 1978 CA GLU A1046 11.805 36.890 -5.436 1.00 19.02 C ATOM 1979 C GLU A1046 11.288 35.807 -4.498 1.00 23.16 C ATOM 1980 O GLU A1046 11.765 35.715 -3.362 1.00 24.24 O ATOM 1981 CB GLU A1046 10.725 37.973 -5.537 1.00 19.29 C ATOM 1982 CG GLU A1046 11.107 39.237 -6.274 1.00 21.22 C ATOM 1983 CD GLU A1046 9.966 40.229 -6.096 1.00 26.49 C ATOM 1984 OE1 GLU A1046 9.861 40.817 -4.996 1.00 20.93 O ATOM 1985 OE2 GLU A1046 9.116 40.330 -7.005 1.00 20.17 O ATOM 1986 H GLU A1046 11.692 36.744 -7.613 1.00 0.00 H ATOM 1987 N LEU A1047 10.327 34.991 -4.950 1.00 20.16 N ATOM 1988 CA LEU A1047 9.765 33.934 -4.109 1.00 19.58 C ATOM 1989 C LEU A1047 10.840 32.971 -3.608 1.00 25.03 C ATOM 1990 O LEU A1047 10.922 32.706 -2.407 1.00 22.77 O ATOM 1991 CB LEU A1047 8.685 33.142 -4.837 1.00 18.72 C ATOM 1992 CG LEU A1047 7.403 33.924 -5.202 1.00 21.78 C ATOM 1993 CD1 LEU A1047 6.458 33.027 -6.021 1.00 21.01 C ATOM 1994 CD2 LEU A1047 6.719 34.486 -3.959 1.00 23.47 C ATOM 1995 H LEU A1047 9.972 35.111 -5.920 1.00 0.00 H ATOM 1996 N PHE A1048 11.701 32.492 -4.521 1.00 21.32 N ATOM 1997 CA PHE A1048 12.709 31.516 -4.109 1.00 21.01 C ATOM 1998 C PHE A1048 13.861 32.133 -3.290 1.00 25.77 C ATOM 1999 O PHE A1048 14.554 31.368 -2.637 1.00 25.96 O ATOM 2000 CB PHE A1048 13.176 30.663 -5.309 1.00 20.45 C ATOM 2001 CG PHE A1048 12.146 29.578 -5.569 1.00 20.92 C ATOM 2002 CD1 PHE A1048 10.957 29.865 -6.226 1.00 20.99 C ATOM 2003 CD2 PHE A1048 12.324 28.289 -5.070 1.00 22.60 C ATOM 2004 CE1 PHE A1048 9.970 28.893 -6.390 1.00 21.61 C ATOM 2005 CE2 PHE A1048 11.348 27.304 -5.251 1.00 25.42 C ATOM 2006 CZ PHE A1048 10.168 27.604 -5.902 1.00 23.17 C ATOM 2007 H PHE A1048 11.651 32.812 -5.509 1.00 0.00 H ATOM 2008 N THR A1049 13.992 33.481 -3.211 1.00 21.90 N ATOM 2009 CA THR A1049 14.986 34.120 -2.317 1.00 21.91 C ATOM 2010 C THR A1049 14.381 34.309 -0.914 1.00 25.51 C ATOM 2011 O THR A1049 15.090 34.764 -0.001 1.00 25.17 O ATOM 2012 CB THR A1049 15.402 35.518 -2.786 1.00 27.38 C ATOM 2013 OG1 THR A1049 14.284 36.411 -2.747 1.00 29.02 O ATOM 2014 CG2 THR A1049 16.084 35.523 -4.106 1.00 25.83 C ATOM 2015 HG1 THR A1049 14.569 37.308 -3.053 1.00 0.00 H ATOM 2016 H THR A1049 13.377 34.083 -3.795 1.00 0.00 H ATOM 2017 N TYR A1050 13.061 34.073 -0.780 1.00 20.42 N ATOM 2018 CA TYR A1050 12.299 34.308 0.467 1.00 22.00 C ATOM 2019 C TYR A1050 12.436 35.757 0.946 1.00 27.43 C ATOM 2020 O TYR A1050 12.374 36.027 2.144 1.00 28.42 O ATOM 2021 CB TYR A1050 12.729 33.298 1.574 1.00 22.17 C ATOM 2022 CG TYR A1050 12.148 31.926 1.358 1.00 22.85 C ATOM 2023 CD1 TYR A1050 12.769 31.005 0.521 1.00 23.98 C ATOM 2024 CD2 TYR A1050 10.964 31.548 1.973 1.00 23.12 C ATOM 2025 CE1 TYR A1050 12.218 29.752 0.296 1.00 22.32 C ATOM 2026 CE2 TYR A1050 10.407 30.296 1.760 1.00 22.41 C ATOM 2027 CZ TYR A1050 11.060 29.388 0.945 1.00 21.63 C ATOM 2028 OH TYR A1050 10.529 28.147 0.755 1.00 22.98 O ATOM 2029 HH TYR A1050 10.458 27.683 1.627 1.00 0.00 H ATOM 2030 H TYR A1050 12.546 33.703 -1.604 1.00 0.00 H ATOM 2031 N ILE A1051 12.638 36.711 -0.003 1.00 25.86 N ATOM 2032 CA ILE A1051 12.776 38.144 0.284 1.00 26.28 C ATOM 2033 C ILE A1051 13.971 38.430 1.221 1.00 35.48 C ATOM 2034 O ILE A1051 13.906 39.319 2.073 1.00 35.10 O ATOM 2035 CB ILE A1051 11.445 38.837 0.776 1.00 28.39 C ATOM 2036 CG1 ILE A1051 10.158 38.240 0.118 1.00 28.49 C ATOM 2037 CG2 ILE A1051 11.517 40.365 0.587 1.00 29.06 C ATOM 2038 CD1 ILE A1051 10.020 38.241 -1.434 1.00 31.27 C ATOM 2039 H ILE A1051 12.698 36.405 -0.995 1.00 0.00 H ATOM 2040 N GLU A1052 15.072 37.686 1.053 1.00 34.82 N ATOM 2041 CA GLU A1052 16.290 37.952 1.831 1.00 35.33 C ATOM 2042 C GLU A1052 16.837 39.292 1.296 1.00 40.16 C ATOM 2043 O GLU A1052 17.040 39.413 0.091 1.00 39.12 O ATOM 2044 CB GLU A1052 17.290 36.795 1.666 1.00 36.82 C ATOM 2045 CG GLU A1052 18.523 36.952 2.551 1.00 45.28 C ATOM 2046 CD GLU A1052 19.562 35.858 2.485 1.00 60.76 C ATOM 2047 OE1 GLU A1052 20.663 36.067 3.046 1.00 59.31 O ATOM 2048 OE2 GLU A1052 19.279 34.794 1.889 1.00 51.09 O ATOM 2049 H GLU A1052 15.065 36.909 0.362 1.00 0.00 H ATOM 2050 N LYS A1053 16.971 40.319 2.169 1.00 40.56 N ATOM 2051 CA LYS A1053 17.334 41.722 1.850 1.00 41.12 C ATOM 2052 C LYS A1053 18.460 41.904 0.831 1.00 43.35 C ATOM 2053 O LYS A1053 18.253 42.562 -0.204 1.00 43.97 O ATOM 2054 CB LYS A1053 17.658 42.520 3.124 1.00 44.21 C ATOM 2055 H LYS A1053 16.801 40.101 3.171 1.00 0.00 H ATOM 2056 N SER A1054 19.622 41.295 1.105 1.00 36.00 N ATOM 2057 CA SER A1054 20.808 41.377 0.258 1.00 35.08 C ATOM 2058 C SER A1054 20.604 40.676 -1.082 1.00 38.49 C ATOM 2059 O SER A1054 21.409 40.879 -1.996 1.00 38.93 O ATOM 2060 CB SER A1054 22.004 40.758 0.981 1.00 35.11 C ATOM 2061 OG SER A1054 21.779 39.379 1.224 1.00 38.63 O ATOM 2062 HG SER A1054 22.563 38.995 1.692 1.00 0.00 H ATOM 2063 H SER A1054 19.682 40.729 1.975 1.00 0.00 H ATOM 2064 N LYS A1055 19.529 39.867 -1.199 1.00 33.83 N ATOM 2065 CA LYS A1055 19.231 39.074 -2.403 1.00 33.31 C ATOM 2066 C LYS A1055 18.161 39.677 -3.308 1.00 36.68 C ATOM 2067 O LYS A1055 17.819 39.058 -4.316 1.00 36.61 O ATOM 2068 CB LYS A1055 18.819 37.639 -2.019 1.00 35.42 C ATOM 2069 CG LYS A1055 19.781 36.927 -1.061 1.00 39.81 C ATOM 2070 CD LYS A1055 21.172 36.731 -1.651 1.00 38.81 C ATOM 2071 CE LYS A1055 22.066 35.957 -0.712 1.00 43.00 C ATOM 2072 NZ LYS A1055 23.373 35.702 -1.344 1.00 52.51 N ATOM 2073 HZ1 LYS A1055 23.234 35.149 -2.214 1.00 0.00 H ATOM 2074 HZ2 LYS A1055 23.827 36.608 -1.576 1.00 0.00 H ATOM 2075 HZ3 LYS A1055 23.977 35.169 -0.686 1.00 0.00 H ATOM 2076 H LYS A1055 18.875 39.800 -0.393 1.00 0.00 H ATOM 2077 N SER A1056 17.621 40.852 -2.964 1.00 32.36 N ATOM 2078 CA SER A1056 16.581 41.470 -3.788 1.00 31.12 C ATOM 2079 C SER A1056 17.080 41.775 -5.200 1.00 32.59 C ATOM 2080 O SER A1056 18.285 41.966 -5.397 1.00 32.29 O ATOM 2081 CB SER A1056 16.069 42.752 -3.132 1.00 33.48 C ATOM 2082 OG SER A1056 17.031 43.788 -3.206 1.00 39.32 O ATOM 2083 HG SER A1056 17.236 43.980 -4.155 1.00 0.00 H ATOM 2084 H SER A1056 17.944 41.332 -2.100 1.00 0.00 H ATOM 2085 N PRO A1057 16.198 41.794 -6.223 1.00 27.92 N ATOM 2086 CA PRO A1057 16.667 42.191 -7.564 1.00 27.83 C ATOM 2087 C PRO A1057 17.443 43.545 -7.558 1.00 32.97 C ATOM 2088 O PRO A1057 18.519 43.564 -8.159 1.00 32.87 O ATOM 2089 CB PRO A1057 15.358 42.250 -8.384 1.00 28.72 C ATOM 2090 CG PRO A1057 14.456 41.255 -7.676 1.00 31.69 C ATOM 2091 CD PRO A1057 14.745 41.524 -6.218 1.00 28.09 C ATOM 2092 N PRO A1058 17.010 44.661 -6.890 1.00 30.99 N ATOM 2093 CA PRO A1058 17.848 45.878 -6.897 1.00 31.56 C ATOM 2094 C PRO A1058 19.229 45.644 -6.287 1.00 36.63 C ATOM 2095 O PRO A1058 20.214 46.052 -6.889 1.00 35.63 O ATOM 2096 CB PRO A1058 17.028 46.885 -6.080 1.00 32.89 C ATOM 2097 CG PRO A1058 15.613 46.402 -6.192 1.00 36.85 C ATOM 2098 CD PRO A1058 15.758 44.908 -6.136 1.00 32.61 C ATOM 2099 N ALA A1059 19.317 44.931 -5.141 1.00 35.27 N ATOM 2100 CA ALA A1059 20.613 44.645 -4.505 1.00 35.72 C ATOM 2101 C ALA A1059 21.532 43.828 -5.401 1.00 39.71 C ATOM 2102 O ALA A1059 22.711 44.163 -5.519 1.00 39.86 O ATOM 2103 CB ALA A1059 20.409 43.920 -3.180 1.00 36.43 C ATOM 2104 H ALA A1059 18.446 44.576 -4.698 1.00 0.00 H ATOM 2105 N GLU A1060 21.004 42.767 -6.055 1.00 34.65 N ATOM 2106 CA GLU A1060 21.831 41.911 -6.918 1.00 33.27 C ATOM 2107 C GLU A1060 22.272 42.639 -8.181 1.00 38.40 C ATOM 2108 O GLU A1060 23.435 42.559 -8.545 1.00 39.60 O ATOM 2109 CB GLU A1060 21.126 40.594 -7.260 1.00 34.12 C ATOM 2110 CG GLU A1060 20.859 39.727 -6.046 1.00 37.17 C ATOM 2111 CD GLU A1060 21.959 38.763 -5.646 1.00 52.94 C ATOM 2112 OE1 GLU A1060 23.056 38.810 -6.246 1.00 43.52 O ATOM 2113 OE2 GLU A1060 21.717 37.945 -4.734 1.00 50.44 O ATOM 2114 H GLU A1060 19.992 42.553 -5.945 1.00 0.00 H ATOM 2115 N PHE A1061 21.353 43.363 -8.852 1.00 32.65 N ATOM 2116 CA PHE A1061 21.705 44.103 -10.052 1.00 31.65 C ATOM 2117 C PHE A1061 22.699 45.235 -9.761 1.00 39.54 C ATOM 2118 O PHE A1061 23.658 45.381 -10.516 1.00 38.92 O ATOM 2119 CB PHE A1061 20.463 44.609 -10.789 1.00 32.07 C ATOM 2120 CG PHE A1061 19.779 43.575 -11.666 1.00 31.86 C ATOM 2121 CD1 PHE A1061 20.485 42.906 -12.666 1.00 33.03 C ATOM 2122 CD2 PHE A1061 18.413 43.324 -11.539 1.00 31.12 C ATOM 2123 CE1 PHE A1061 19.847 41.970 -13.494 1.00 34.27 C ATOM 2124 CE2 PHE A1061 17.771 42.403 -12.383 1.00 32.44 C ATOM 2125 CZ PHE A1061 18.487 41.744 -13.361 1.00 31.28 C ATOM 2126 H PHE A1061 20.373 43.392 -8.504 1.00 0.00 H ATOM 2127 N MET A1062 22.516 45.975 -8.634 1.00 39.01 N ATOM 2128 CA MET A1062 23.450 47.041 -8.216 1.00 39.99 C ATOM 2129 C MET A1062 24.851 46.494 -7.919 1.00 47.94 C ATOM 2130 O MET A1062 25.835 47.183 -8.183 1.00 49.06 O ATOM 2131 CB MET A1062 22.912 47.836 -7.024 1.00 41.91 C ATOM 2132 CG MET A1062 21.806 48.819 -7.389 1.00 45.13 C ATOM 2133 SD MET A1062 22.141 49.865 -8.829 1.00 49.04 S ATOM 2134 CE MET A1062 23.492 50.934 -8.171 1.00 46.15 C ATOM 2135 H MET A1062 21.683 45.782 -8.042 1.00 0.00 H ATOM 2136 N ARG A1063 24.943 45.247 -7.415 1.00 46.20 N ATOM 2137 CA ARG A1063 26.208 44.570 -7.151 1.00 46.85 C ATOM 2138 C ARG A1063 26.899 44.303 -8.489 1.00 50.70 C ATOM 2139 O ARG A1063 28.087 44.591 -8.638 1.00 49.59 O ATOM 2140 CB ARG A1063 25.962 43.245 -6.403 1.00 48.02 C ATOM 2141 CG ARG A1063 27.201 42.719 -5.704 1.00 59.11 C ATOM 2142 CD ARG A1063 26.988 41.447 -4.886 1.00 70.35 C ATOM 2143 NE ARG A1063 26.320 40.355 -5.612 1.00 80.74 N ATOM 2144 CZ ARG A1063 26.882 39.565 -6.530 1.00 96.47 C ATOM 2145 NH1 ARG A1063 28.135 39.771 -6.920 1.00 85.10 N ATOM 2146 NH2 ARG A1063 26.179 38.590 -7.096 1.00 83.42 N ATOM 2147 HE ARG A1063 25.319 40.183 -5.390 1.00 0.00 H ATOM 2148 HH12 ARG A1063 28.565 39.151 -7.636 1.00 0.00 H ATOM 2149 HH11 ARG A1063 28.686 40.552 -6.510 1.00 0.00 H ATOM 2150 HH22 ARG A1063 26.621 37.977 -7.811 1.00 0.00 H ATOM 2151 HH21 ARG A1063 25.186 38.439 -6.824 1.00 0.00 H ATOM 2152 H ARG A1063 24.061 44.738 -7.202 1.00 0.00 H ATOM 2153 N MET A1064 26.138 43.771 -9.467 1.00 45.68 N ATOM 2154 CA MET A1064 26.645 43.435 -10.794 1.00 44.66 C ATOM 2155 C MET A1064 27.049 44.660 -11.614 1.00 50.04 C ATOM 2156 O MET A1064 27.986 44.578 -12.395 1.00 50.14 O ATOM 2157 CB MET A1064 25.616 42.589 -11.562 1.00 46.18 C ATOM 2158 CG MET A1064 25.398 41.216 -10.971 1.00 48.78 C ATOM 2159 SD MET A1064 24.194 40.251 -11.911 1.00 52.35 S ATOM 2160 CE MET A1064 22.802 40.508 -11.009 1.00 48.78 C ATOM 2161 H MET A1064 25.134 43.590 -9.265 1.00 0.00 H ATOM 2162 N ILE A1065 26.322 45.771 -11.464 1.00 49.25 N ATOM 2163 CA ILE A1065 26.550 47.030 -12.178 1.00 50.75 C ATOM 2164 C ILE A1065 27.660 47.860 -11.510 1.00 57.98 C ATOM 2165 O ILE A1065 28.474 48.476 -12.203 1.00 57.80 O ATOM 2166 CB ILE A1065 25.182 47.769 -12.277 1.00 54.55 C ATOM 2167 CG1 ILE A1065 24.342 47.194 -13.436 1.00 55.22 C ATOM 2168 CG2 ILE A1065 25.278 49.298 -12.334 1.00 55.44 C ATOM 2169 CD1 ILE A1065 22.861 47.214 -13.157 1.00 68.64 C ATOM 2170 H ILE A1065 25.533 45.740 -10.788 1.00 0.00 H ATOM 2171 N GLY A1066 27.685 47.830 -10.181 1.00 56.95 N ATOM 2172 CA GLY A1066 28.598 48.588 -9.337 1.00 58.05 C ATOM 2173 C GLY A1066 27.797 49.621 -8.576 1.00 65.62 C ATOM 2174 O GLY A1066 27.087 50.420 -9.192 1.00 65.71 O ATOM 2175 H GLY A1066 26.995 47.214 -9.705 1.00 0.00 H ATOM 2176 N ASN A1067 27.866 49.591 -7.235 1.00 65.32 N ATOM 2177 CA ASN A1067 27.121 50.518 -6.367 1.00 66.71 C ATOM 2178 C ASN A1067 27.538 51.993 -6.536 1.00 73.95 C ATOM 2179 O ASN A1067 26.790 52.890 -6.135 1.00 74.13 O ATOM 2180 CB ASN A1067 27.184 50.074 -4.905 1.00 67.23 C ATOM 2181 CG ASN A1067 26.192 48.982 -4.587 1.00 87.64 C ATOM 2182 OD1 ASN A1067 25.016 49.241 -4.304 1.00 81.96 O ATOM 2183 ND2 ASN A1067 26.633 47.736 -4.649 1.00 77.40 N ATOM 2184 HD22 ASN A1067 27.627 47.548 -4.889 1.00 0.00 H ATOM 2185 HD21 ASN A1067 25.985 46.945 -4.457 1.00 0.00 H ATOM 2186 H ASN A1067 28.476 48.877 -6.787 1.00 0.00 H ATOM 2187 N ASP A1068 28.701 52.231 -7.175 1.00 72.70 N ATOM 2188 CA ASP A1068 29.246 53.557 -7.470 1.00 73.90 C ATOM 2189 C ASP A1068 28.452 54.289 -8.571 1.00 80.17 C ATOM 2190 O ASP A1068 28.546 55.515 -8.670 1.00 80.31 O ATOM 2191 CB ASP A1068 30.727 53.442 -7.878 1.00 75.95 C ATOM 2192 CG ASP A1068 30.954 52.734 -9.201 1.00 88.29 C ATOM 2193 OD1 ASP A1068 30.893 51.482 -9.225 1.00 88.73 O ATOM 2194 OD2 ASP A1068 31.202 53.430 -10.211 1.00 95.16 O ATOM 2195 H ASP A1068 29.255 51.407 -7.483 1.00 0.00 H ATOM 2196 N LYS A1069 27.689 53.535 -9.396 1.00 77.51 N ATOM 2197 CA LYS A1069 26.919 54.055 -10.527 1.00 77.46 C ATOM 2198 C LYS A1069 25.866 55.088 -10.125 1.00 82.33 C ATOM 2199 O LYS A1069 25.013 54.825 -9.273 1.00 81.92 O ATOM 2200 CB LYS A1069 26.327 52.920 -11.368 1.00 79.24 C ATOM 2201 CG LYS A1069 27.222 52.542 -12.553 1.00 87.70 C ATOM 2202 CD LYS A1069 28.510 51.811 -12.166 1.00 96.34 C ATOM 2203 CE LYS A1069 29.498 51.757 -13.303 1.00105.61 C ATOM 2204 NZ LYS A1069 30.669 50.904 -12.973 1.00113.09 N ATOM 2205 HZ1 LYS A1069 31.152 51.289 -12.137 1.00 0.00 H ATOM 2206 HZ2 LYS A1069 30.346 49.936 -12.773 1.00 0.00 H ATOM 2207 HZ3 LYS A1069 31.326 50.892 -13.779 1.00 0.00 H ATOM 2208 H LYS A1069 27.647 52.512 -9.213 1.00 0.00 H ATOM 2209 N GLN A1070 25.992 56.284 -10.750 1.00 79.14 N ATOM 2210 CA GLN A1070 25.243 57.536 -10.592 1.00 78.50 C ATOM 2211 C GLN A1070 23.734 57.375 -10.309 1.00 80.40 C ATOM 2212 O GLN A1070 23.350 57.196 -9.152 1.00 80.37 O ATOM 2213 CB GLN A1070 25.483 58.446 -11.815 1.00 79.97 C ATOM 2214 H GLN A1070 26.748 56.321 -11.463 1.00 0.00 H ATOM 2215 N GLY A1071 22.909 57.499 -11.342 1.00 75.35 N ATOM 2216 CA GLY A1071 21.458 57.410 -11.244 1.00 74.62 C ATOM 2217 C GLY A1071 20.873 57.195 -12.617 1.00 77.06 C ATOM 2218 O GLY A1071 20.303 56.136 -12.894 1.00 76.82 O ATOM 2219 H GLY A1071 23.325 57.670 -12.280 1.00 0.00 H ATOM 2220 N GLN A1072 21.075 58.190 -13.507 1.00 72.07 N ATOM 2221 CA GLN A1072 20.664 58.136 -14.911 1.00 70.95 C ATOM 2222 C GLN A1072 21.494 57.051 -15.592 1.00 72.48 C ATOM 2223 O GLN A1072 20.999 56.359 -16.483 1.00 72.48 O ATOM 2224 CB GLN A1072 20.911 59.484 -15.598 1.00 72.29 C ATOM 2225 H GLN A1072 21.554 59.051 -13.173 1.00 0.00 H ATOM 2226 N MET A1073 22.741 56.866 -15.120 1.00 66.21 N ATOM 2227 CA MET A1073 23.666 55.871 -15.640 1.00 64.71 C ATOM 2228 C MET A1073 23.315 54.439 -15.233 1.00 62.13 C ATOM 2229 O MET A1073 23.717 53.515 -15.936 1.00 61.37 O ATOM 2230 CB MET A1073 25.115 56.224 -15.274 1.00 67.71 C ATOM 2231 CG MET A1073 25.564 57.571 -15.827 1.00 72.31 C ATOM 2232 SD MET A1073 25.244 57.802 -17.607 1.00 77.70 S ATOM 2233 CE MET A1073 26.482 56.734 -18.306 1.00 74.51 C ATOM 2234 H MET A1073 23.062 57.470 -14.337 1.00 0.00 H ATOM 2235 N ILE A1074 22.561 54.246 -14.123 1.00 54.29 N ATOM 2236 CA ILE A1074 22.140 52.909 -13.654 1.00 51.49 C ATOM 2237 C ILE A1074 21.378 52.176 -14.766 1.00 51.54 C ATOM 2238 O ILE A1074 21.754 51.057 -15.095 1.00 51.64 O ATOM 2239 CB ILE A1074 21.357 52.945 -12.309 1.00 53.64 C ATOM 2240 CG1 ILE A1074 22.278 53.406 -11.152 1.00 53.83 C ATOM 2241 CG2 ILE A1074 20.736 51.571 -11.988 1.00 52.40 C ATOM 2242 CD1 ILE A1074 21.560 53.837 -9.856 1.00 58.22 C ATOM 2243 H ILE A1074 22.265 55.079 -13.575 1.00 0.00 H ATOM 2244 N VAL A1075 20.364 52.830 -15.372 1.00 46.35 N ATOM 2245 CA VAL A1075 19.558 52.273 -16.471 1.00 45.84 C ATOM 2246 C VAL A1075 20.458 51.872 -17.645 1.00 47.53 C ATOM 2247 O VAL A1075 20.315 50.762 -18.149 1.00 44.19 O ATOM 2248 CB VAL A1075 18.389 53.201 -16.920 1.00 50.66 C ATOM 2249 CG1 VAL A1075 17.535 52.543 -18.008 1.00 50.46 C ATOM 2250 CG2 VAL A1075 17.512 53.592 -15.737 1.00 50.94 C ATOM 2251 H VAL A1075 20.138 53.790 -15.041 1.00 0.00 H ATOM 2252 N PHE A1076 21.423 52.758 -18.032 1.00 44.83 N ATOM 2253 CA PHE A1076 22.382 52.521 -19.120 1.00 44.21 C ATOM 2254 C PHE A1076 23.181 51.241 -18.876 1.00 44.80 C ATOM 2255 O PHE A1076 23.300 50.414 -19.777 1.00 43.80 O ATOM 2256 CB PHE A1076 23.337 53.736 -19.311 1.00 46.52 C ATOM 2257 CG PHE A1076 24.385 53.542 -20.388 1.00 48.77 C ATOM 2258 CD1 PHE A1076 24.075 53.745 -21.729 1.00 52.63 C ATOM 2259 CD2 PHE A1076 25.675 53.132 -20.061 1.00 51.36 C ATOM 2260 CE1 PHE A1076 25.035 53.526 -22.728 1.00 53.98 C ATOM 2261 CE2 PHE A1076 26.631 52.911 -21.059 1.00 54.44 C ATOM 2262 CZ PHE A1076 26.306 53.109 -22.385 1.00 52.73 C ATOM 2263 H PHE A1076 21.483 53.662 -17.522 1.00 0.00 H ATOM 2264 N HIS A1077 23.735 51.099 -17.669 1.00 41.51 N ATOM 2265 CA HIS A1077 24.551 49.956 -17.278 1.00 41.27 C ATOM 2266 C HIS A1077 23.723 48.681 -17.154 1.00 40.26 C ATOM 2267 O HIS A1077 24.223 47.599 -17.465 1.00 39.00 O ATOM 2268 CB HIS A1077 25.297 50.247 -15.980 1.00 43.46 C ATOM 2269 CG HIS A1077 26.461 51.171 -16.166 1.00 48.43 C ATOM 2270 ND1 HIS A1077 26.393 52.498 -15.786 1.00 51.07 N ATOM 2271 CD2 HIS A1077 27.676 50.934 -16.716 1.00 51.21 C ATOM 2272 CE1 HIS A1077 27.569 53.020 -16.097 1.00 51.00 C ATOM 2273 NE2 HIS A1077 28.372 52.115 -16.663 1.00 51.29 N ATOM 2274 H HIS A1077 23.575 51.849 -16.966 1.00 0.00 H ATOM 2275 N LEU A1078 22.469 48.809 -16.697 1.00 34.67 N ATOM 2276 CA LEU A1078 21.544 47.679 -16.583 1.00 33.18 C ATOM 2277 C LEU A1078 21.230 47.133 -17.964 1.00 35.28 C ATOM 2278 O LEU A1078 21.302 45.921 -18.159 1.00 35.85 O ATOM 2279 CB LEU A1078 20.256 48.104 -15.843 1.00 32.49 C ATOM 2280 CG LEU A1078 19.145 47.032 -15.688 1.00 34.77 C ATOM 2281 CD1 LEU A1078 19.629 45.812 -14.904 1.00 32.91 C ATOM 2282 CD2 LEU A1078 17.921 47.625 -15.030 1.00 33.93 C ATOM 2283 H LEU A1078 22.138 49.753 -16.411 1.00 0.00 H ATOM 2284 N ILE A1079 20.954 48.027 -18.930 1.00 33.87 N ATOM 2285 CA ILE A1079 20.677 47.658 -20.328 1.00 33.56 C ATOM 2286 C ILE A1079 21.849 46.861 -20.884 1.00 37.44 C ATOM 2287 O ILE A1079 21.647 45.797 -21.468 1.00 35.21 O ATOM 2288 CB ILE A1079 20.363 48.919 -21.184 1.00 36.14 C ATOM 2289 CG1 ILE A1079 18.969 49.495 -20.811 1.00 35.91 C ATOM 2290 CG2 ILE A1079 20.471 48.612 -22.699 1.00 34.45 C ATOM 2291 CD1 ILE A1079 18.681 50.939 -21.332 1.00 39.85 C ATOM 2292 H ILE A1079 20.935 49.035 -18.675 1.00 0.00 H ATOM 2293 N GLU A1080 23.082 47.359 -20.670 1.00 35.65 N ATOM 2294 CA GLU A1080 24.282 46.683 -21.170 1.00 35.09 C ATOM 2295 C GLU A1080 24.479 45.336 -20.511 1.00 36.02 C ATOM 2296 O GLU A1080 24.776 44.356 -21.198 1.00 35.51 O ATOM 2297 CB GLU A1080 25.532 47.581 -21.041 1.00 36.73 C ATOM 2298 CG GLU A1080 25.588 48.689 -22.089 1.00 53.00 C ATOM 2299 CD GLU A1080 25.168 48.307 -23.496 1.00 82.10 C ATOM 2300 OE1 GLU A1080 25.863 47.476 -24.124 1.00 82.30 O ATOM 2301 OE2 GLU A1080 24.113 48.808 -23.953 1.00 77.29 O ATOM 2302 H GLU A1080 23.185 48.246 -20.136 1.00 0.00 H ATOM 2303 N LEU A1081 24.251 45.265 -19.194 1.00 31.64 N ATOM 2304 CA LEU A1081 24.359 43.998 -18.467 1.00 30.89 C ATOM 2305 C LEU A1081 23.407 42.933 -19.045 1.00 33.63 C ATOM 2306 O LEU A1081 23.836 41.819 -19.363 1.00 32.85 O ATOM 2307 CB LEU A1081 24.089 44.227 -16.975 1.00 31.25 C ATOM 2308 CG LEU A1081 24.130 42.992 -16.079 1.00 36.94 C ATOM 2309 CD1 LEU A1081 25.566 42.471 -15.920 1.00 39.08 C ATOM 2310 CD2 LEU A1081 23.521 43.305 -14.733 1.00 40.40 C ATOM 2311 H LEU A1081 23.991 46.128 -18.675 1.00 0.00 H ATOM 2312 N LEU A1082 22.129 43.295 -19.234 1.00 29.05 N ATOM 2313 CA LEU A1082 21.138 42.352 -19.778 1.00 27.98 C ATOM 2314 C LEU A1082 21.448 41.933 -21.214 1.00 31.55 C ATOM 2315 O LEU A1082 21.300 40.764 -21.547 1.00 30.02 O ATOM 2316 CB LEU A1082 19.716 42.932 -19.664 1.00 27.26 C ATOM 2317 CG LEU A1082 19.223 43.248 -18.239 1.00 28.88 C ATOM 2318 CD1 LEU A1082 17.874 43.966 -18.289 1.00 29.04 C ATOM 2319 CD2 LEU A1082 19.114 41.958 -17.382 1.00 29.52 C ATOM 2320 H LEU A1082 21.832 44.262 -18.991 1.00 0.00 H ATOM 2321 N LYS A1083 21.909 42.882 -22.051 1.00 32.01 N ATOM 2322 CA LYS A1083 22.291 42.629 -23.447 1.00 32.13 C ATOM 2323 C LYS A1083 23.403 41.571 -23.503 1.00 36.82 C ATOM 2324 O LYS A1083 23.388 40.700 -24.374 1.00 34.13 O ATOM 2325 CB LYS A1083 22.760 43.940 -24.103 1.00 36.20 C ATOM 2326 CG LYS A1083 23.030 43.823 -25.598 1.00 48.03 C ATOM 2327 CD LYS A1083 23.667 45.082 -26.179 1.00 60.54 C ATOM 2328 CE LYS A1083 24.125 44.827 -27.596 1.00 74.49 C ATOM 2329 NZ LYS A1083 24.630 46.062 -28.250 1.00 88.40 N ATOM 2330 HZ1 LYS A1083 23.872 46.773 -28.277 1.00 0.00 H ATOM 2331 HZ2 LYS A1083 25.437 46.434 -27.710 1.00 0.00 H ATOM 2332 HZ3 LYS A1083 24.933 45.840 -29.220 1.00 0.00 H ATOM 2333 H LYS A1083 22.000 43.852 -21.687 1.00 0.00 H ATOM 2334 N ASN A1084 24.323 41.619 -22.525 1.00 35.51 N ATOM 2335 CA ASN A1084 25.453 40.695 -22.381 1.00 36.15 C ATOM 2336 C ASN A1084 25.107 39.429 -21.601 1.00 40.66 C ATOM 2337 O ASN A1084 26.001 38.701 -21.163 1.00 40.20 O ATOM 2338 CB ASN A1084 26.647 41.429 -21.754 1.00 38.02 C ATOM 2339 CG ASN A1084 27.215 42.463 -22.684 1.00 61.31 C ATOM 2340 OD1 ASN A1084 27.292 42.254 -23.896 1.00 53.20 O ATOM 2341 ND2 ASN A1084 27.574 43.619 -22.149 1.00 59.91 N ATOM 2342 HD22 ASN A1084 27.497 43.763 -21.122 1.00 0.00 H ATOM 2343 HD21 ASN A1084 27.934 44.383 -22.756 1.00 0.00 H ATOM 2344 H ASN A1084 24.226 42.371 -21.813 1.00 0.00 H ATOM 2345 N ASN A1085 23.799 39.162 -21.448 1.00 34.87 N ATOM 2346 CA ASN A1085 23.237 37.997 -20.783 1.00 33.63 C ATOM 2347 C ASN A1085 23.635 37.876 -19.301 1.00 34.80 C ATOM 2348 O ASN A1085 23.646 36.775 -18.745 1.00 35.14 O ATOM 2349 CB ASN A1085 23.512 36.710 -21.572 1.00 36.15 C ATOM 2350 CG ASN A1085 22.612 36.586 -22.786 1.00 60.40 C ATOM 2351 OD1 ASN A1085 21.392 36.859 -22.746 1.00 49.39 O ATOM 2352 ND2 ASN A1085 23.193 36.165 -23.897 1.00 54.40 N ATOM 2353 HD22 ASN A1085 24.210 35.945 -23.901 1.00 0.00 H ATOM 2354 HD21 ASN A1085 22.633 36.054 -24.766 1.00 0.00 H ATOM 2355 H ASN A1085 23.127 39.852 -21.841 1.00 0.00 H ATOM 2356 N GLY A1086 23.861 39.019 -18.660 1.00 30.43 N ATOM 2357 CA GLY A1086 24.048 39.075 -17.211 1.00 30.55 C ATOM 2358 C GLY A1086 22.657 38.876 -16.604 1.00 31.41 C ATOM 2359 O GLY A1086 21.679 39.445 -17.116 1.00 29.81 O ATOM 2360 H GLY A1086 23.906 39.902 -19.207 1.00 0.00 H ATOM 2361 N ARG A1087 22.529 37.989 -15.603 1.00 26.20 N ATOM 2362 CA ARG A1087 21.210 37.681 -15.019 1.00 25.82 C ATOM 2363 C ARG A1087 21.292 37.528 -13.520 1.00 30.22 C ATOM 2364 O ARG A1087 22.369 37.251 -12.985 1.00 30.06 O ATOM 2365 CB ARG A1087 20.679 36.338 -15.601 1.00 25.34 C ATOM 2366 CG ARG A1087 20.316 36.332 -17.105 1.00 25.95 C ATOM 2367 CD ARG A1087 19.168 37.294 -17.432 1.00 26.97 C ATOM 2368 NE ARG A1087 18.738 37.215 -18.836 1.00 25.59 N ATOM 2369 CZ ARG A1087 19.164 38.041 -19.787 1.00 29.89 C ATOM 2370 NH1 ARG A1087 20.052 38.988 -19.507 1.00 23.26 N ATOM 2371 NH2 ARG A1087 18.689 37.942 -21.020 1.00 25.90 N ATOM 2372 HE ARG A1087 18.062 36.470 -19.100 1.00 0.00 H ATOM 2373 HH12 ARG A1087 20.381 39.630 -20.256 1.00 0.00 H ATOM 2374 HH11 ARG A1087 20.419 39.087 -18.539 1.00 0.00 H ATOM 2375 HH22 ARG A1087 19.025 38.590 -21.760 1.00 0.00 H ATOM 2376 HH21 ARG A1087 17.980 37.216 -21.247 1.00 0.00 H ATOM 2377 H ARG A1087 23.375 37.511 -15.233 1.00 0.00 H ATOM 2378 N LEU A1088 20.149 37.649 -12.836 1.00 25.99 N ATOM 2379 CA LEU A1088 20.049 37.377 -11.405 1.00 25.29 C ATOM 2380 C LEU A1088 20.494 35.921 -11.153 1.00 28.60 C ATOM 2381 O LEU A1088 20.211 35.047 -11.972 1.00 28.08 O ATOM 2382 CB LEU A1088 18.593 37.553 -10.944 1.00 24.39 C ATOM 2383 CG LEU A1088 18.070 38.991 -10.934 1.00 27.40 C ATOM 2384 CD1 LEU A1088 16.581 39.013 -10.752 1.00 25.04 C ATOM 2385 CD2 LEU A1088 18.747 39.855 -9.839 1.00 29.66 C ATOM 2386 H LEU A1088 19.294 37.950 -13.346 1.00 0.00 H ATOM 2387 N PRO A1089 21.219 35.643 -10.056 1.00 28.27 N ATOM 2388 CA PRO A1089 21.721 34.271 -9.839 1.00 28.15 C ATOM 2389 C PRO A1089 20.654 33.313 -9.356 1.00 31.80 C ATOM 2390 O PRO A1089 19.583 33.749 -8.930 1.00 30.76 O ATOM 2391 CB PRO A1089 22.808 34.470 -8.768 1.00 29.92 C ATOM 2392 CG PRO A1089 22.335 35.656 -7.984 1.00 34.29 C ATOM 2393 CD PRO A1089 21.692 36.572 -9.004 1.00 30.37 C ATOM 2394 N ARG A1090 20.952 32.017 -9.384 1.00 26.46 N ATOM 2395 CA ARG A1090 20.039 31.014 -8.859 1.00 26.19 C ATOM 2396 C ARG A1090 19.918 31.246 -7.338 1.00 30.05 C ATOM 2397 O ARG A1090 20.942 31.272 -6.644 1.00 29.48 O ATOM 2398 CB ARG A1090 20.545 29.592 -9.143 1.00 27.20 C ATOM 2399 CG ARG A1090 19.586 28.501 -8.642 1.00 23.57 C ATOM 2400 CD ARG A1090 20.065 27.084 -8.918 1.00 26.55 C ATOM 2401 NE ARG A1090 21.416 26.876 -8.380 1.00 31.90 N ATOM 2402 CZ ARG A1090 21.705 26.625 -7.103 1.00 46.99 C ATOM 2403 NH1 ARG A1090 20.733 26.504 -6.202 1.00 29.83 N ATOM 2404 NH2 ARG A1090 22.964 26.505 -6.716 1.00 32.76 N ATOM 2405 HE ARG A1090 22.211 26.929 -9.049 1.00 0.00 H ATOM 2406 HH12 ARG A1090 20.967 26.308 -5.208 1.00 0.00 H ATOM 2407 HH11 ARG A1090 19.739 26.605 -6.492 1.00 0.00 H ATOM 2408 HH22 ARG A1090 23.185 26.309 -5.719 1.00 0.00 H ATOM 2409 HH21 ARG A1090 23.733 26.606 -7.409 1.00 0.00 H ATOM 2410 H ARG A1090 21.860 31.714 -9.791 1.00 0.00 H ATOM 2411 N PRO A1091 18.696 31.428 -6.793 1.00 24.25 N ATOM 2412 CA PRO A1091 18.581 31.631 -5.332 1.00 23.77 C ATOM 2413 C PRO A1091 19.052 30.407 -4.544 1.00 28.37 C ATOM 2414 O PRO A1091 18.978 29.276 -5.019 1.00 26.11 O ATOM 2415 CB PRO A1091 17.070 31.858 -5.120 1.00 25.06 C ATOM 2416 CG PRO A1091 16.566 32.343 -6.470 1.00 28.60 C ATOM 2417 CD PRO A1091 17.374 31.531 -7.458 1.00 24.77 C ATOM 2418 N ASP A1092 19.546 30.639 -3.330 1.00 29.44 N ATOM 2419 CA ASP A1092 19.970 29.554 -2.454 1.00 29.62 C ATOM 2420 C ASP A1092 18.873 28.526 -2.277 1.00 30.70 C ATOM 2421 O ASP A1092 17.737 28.878 -1.941 1.00 31.34 O ATOM 2422 CB ASP A1092 20.397 30.119 -1.081 1.00 32.52 C ATOM 2423 CG ASP A1092 21.610 31.028 -1.098 1.00 46.25 C ATOM 2424 OD1 ASP A1092 22.464 30.872 -2.008 1.00 46.39 O ATOM 2425 OD2 ASP A1092 21.711 31.902 -0.201 1.00 51.52 O ATOM 2426 H ASP A1092 19.632 31.621 -2.998 1.00 0.00 H ATOM 2427 N GLY A1093 19.197 27.265 -2.527 1.00 24.44 N ATOM 2428 CA GLY A1093 18.265 26.150 -2.404 1.00 24.34 C ATOM 2429 C GLY A1093 17.304 25.965 -3.558 1.00 27.89 C ATOM 2430 O GLY A1093 16.542 25.009 -3.576 1.00 28.92 O ATOM 2431 H GLY A1093 20.171 27.059 -2.828 1.00 0.00 H ATOM 2432 N CYS A1094 17.320 26.870 -4.533 1.00 25.23 N ATOM 2433 CA CYS A1094 16.390 26.755 -5.664 1.00 24.27 C ATOM 2434 C CYS A1094 16.752 25.557 -6.564 1.00 29.07 C ATOM 2435 O CYS A1094 17.908 25.461 -6.965 1.00 28.36 O ATOM 2436 CB CYS A1094 16.358 28.058 -6.454 1.00 23.38 C ATOM 2437 SG CYS A1094 15.245 28.016 -7.882 1.00 25.89 S ATOM 2438 H CYS A1094 17.993 27.662 -4.494 1.00 0.00 H ATOM 2439 N PRO A1095 15.794 24.655 -6.882 1.00 26.28 N ATOM 2440 CA PRO A1095 16.118 23.524 -7.790 1.00 26.04 C ATOM 2441 C PRO A1095 16.451 24.030 -9.204 1.00 32.40 C ATOM 2442 O PRO A1095 15.959 25.088 -9.613 1.00 30.22 O ATOM 2443 CB PRO A1095 14.840 22.705 -7.810 1.00 28.61 C ATOM 2444 CG PRO A1095 13.983 23.229 -6.679 1.00 32.87 C ATOM 2445 CD PRO A1095 14.385 24.609 -6.419 1.00 28.23 C ATOM 2446 N ASP A1096 17.308 23.295 -9.945 1.00 28.89 N ATOM 2447 CA ASP A1096 17.693 23.683 -11.310 1.00 28.41 C ATOM 2448 C ASP A1096 16.486 23.900 -12.196 1.00 28.38 C ATOM 2449 O ASP A1096 16.496 24.845 -12.987 1.00 29.30 O ATOM 2450 CB ASP A1096 18.558 22.583 -11.976 1.00 30.55 C ATOM 2451 CG ASP A1096 19.974 22.508 -11.439 1.00 39.27 C ATOM 2452 OD1 ASP A1096 20.444 23.514 -10.844 1.00 37.11 O ATOM 2453 OD2 ASP A1096 20.629 21.458 -11.647 1.00 44.99 O ATOM 2454 H ASP A1096 17.709 22.426 -9.537 1.00 0.00 H ATOM 2455 N GLU A1097 15.491 22.995 -12.100 1.00 26.12 N ATOM 2456 CA GLU A1097 14.246 22.972 -12.890 1.00 27.39 C ATOM 2457 C GLU A1097 13.491 24.312 -12.752 1.00 28.33 C ATOM 2458 O GLU A1097 12.898 24.787 -13.723 1.00 27.89 O ATOM 2459 CB GLU A1097 13.331 21.864 -12.339 1.00 30.23 C ATOM 2460 CG GLU A1097 12.609 21.047 -13.392 1.00 50.48 C ATOM 2461 CD GLU A1097 11.856 19.849 -12.837 1.00 84.13 C ATOM 2462 OE1 GLU A1097 11.903 19.621 -11.605 1.00 72.20 O ATOM 2463 OE2 GLU A1097 11.210 19.138 -13.643 1.00 87.34 O ATOM 2464 H GLU A1097 15.614 22.237 -11.398 1.00 0.00 H ATOM 2465 N ILE A1098 13.479 24.876 -11.535 1.00 24.58 N ATOM 2466 CA ILE A1098 12.795 26.151 -11.241 1.00 24.16 C ATOM 2467 C ILE A1098 13.618 27.315 -11.728 1.00 25.94 C ATOM 2468 O ILE A1098 13.054 28.236 -12.320 1.00 25.09 O ATOM 2469 CB ILE A1098 12.378 26.264 -9.737 1.00 26.35 C ATOM 2470 CG1 ILE A1098 11.451 25.100 -9.321 1.00 27.90 C ATOM 2471 CG2 ILE A1098 11.765 27.634 -9.410 1.00 24.71 C ATOM 2472 CD1 ILE A1098 10.114 25.027 -10.086 1.00 42.12 C ATOM 2473 H ILE A1098 13.976 24.391 -10.761 1.00 0.00 H ATOM 2474 N TYR A1099 14.959 27.280 -11.524 1.00 23.00 N ATOM 2475 CA TYR A1099 15.819 28.329 -12.048 1.00 21.80 C ATOM 2476 C TYR A1099 15.717 28.374 -13.587 1.00 26.20 C ATOM 2477 O TYR A1099 15.759 29.468 -14.148 1.00 25.87 O ATOM 2478 CB TYR A1099 17.277 28.163 -11.632 1.00 22.21 C ATOM 2479 CG TYR A1099 18.138 29.339 -12.027 1.00 23.88 C ATOM 2480 CD1 TYR A1099 17.803 30.637 -11.643 1.00 24.69 C ATOM 2481 CD2 TYR A1099 19.305 29.159 -12.768 1.00 24.91 C ATOM 2482 CE1 TYR A1099 18.595 31.718 -11.990 1.00 24.51 C ATOM 2483 CE2 TYR A1099 20.135 30.233 -13.074 1.00 24.68 C ATOM 2484 CZ TYR A1099 19.755 31.516 -12.717 1.00 30.74 C ATOM 2485 OH TYR A1099 20.538 32.597 -13.030 1.00 30.88 O ATOM 2486 HH TYR A1099 20.107 33.423 -12.696 1.00 0.00 H ATOM 2487 H TYR A1099 15.377 26.494 -10.987 1.00 0.00 H ATOM 2488 N MET A1100 15.546 27.205 -14.246 1.00 24.47 N ATOM 2489 CA MET A1100 15.394 27.131 -15.713 1.00 26.43 C ATOM 2490 C MET A1100 14.140 27.891 -16.170 1.00 25.00 C ATOM 2491 O MET A1100 14.188 28.557 -17.197 1.00 24.00 O ATOM 2492 CB MET A1100 15.339 25.672 -16.198 1.00 30.80 C ATOM 2493 CG MET A1100 15.157 25.562 -17.697 1.00 38.85 C ATOM 2494 SD MET A1100 15.115 23.870 -18.325 1.00 48.17 S ATOM 2495 CE MET A1100 16.826 23.372 -17.988 1.00 45.42 C ATOM 2496 H MET A1100 15.521 26.322 -13.697 1.00 0.00 H ATOM 2497 N ILE A1101 13.056 27.845 -15.398 1.00 21.16 N ATOM 2498 CA ILE A1101 11.833 28.610 -15.720 1.00 20.01 C ATOM 2499 C ILE A1101 12.176 30.100 -15.707 1.00 22.20 C ATOM 2500 O ILE A1101 11.826 30.815 -16.651 1.00 20.68 O ATOM 2501 CB ILE A1101 10.650 28.258 -14.767 1.00 21.75 C ATOM 2502 CG1 ILE A1101 10.207 26.783 -14.969 1.00 22.79 C ATOM 2503 CG2 ILE A1101 9.456 29.223 -14.996 1.00 20.30 C ATOM 2504 CD1 ILE A1101 9.165 26.322 -13.976 1.00 25.11 C ATOM 2505 H ILE A1101 13.070 27.253 -14.543 1.00 0.00 H ATOM 2506 N MET A1102 12.884 30.576 -14.660 1.00 18.37 N ATOM 2507 CA MET A1102 13.278 31.978 -14.564 1.00 17.32 C ATOM 2508 C MET A1102 14.123 32.369 -15.758 1.00 24.75 C ATOM 2509 O MET A1102 13.881 33.406 -16.376 1.00 22.28 O ATOM 2510 CB MET A1102 14.120 32.229 -13.285 1.00 18.97 C ATOM 2511 CG MET A1102 13.385 31.926 -11.987 1.00 20.75 C ATOM 2512 SD MET A1102 14.567 32.184 -10.623 1.00 23.57 S ATOM 2513 CE MET A1102 13.798 31.168 -9.375 1.00 22.07 C ATOM 2514 H MET A1102 13.157 29.923 -13.898 1.00 0.00 H ATOM 2515 N THR A1103 15.157 31.545 -16.088 1.00 22.52 N ATOM 2516 CA THR A1103 16.067 31.925 -17.183 1.00 22.21 C ATOM 2517 C THR A1103 15.347 31.959 -18.543 1.00 23.19 C ATOM 2518 O THR A1103 15.691 32.818 -19.378 1.00 21.58 O ATOM 2519 CB THR A1103 17.325 31.055 -17.172 1.00 29.33 C ATOM 2520 OG1 THR A1103 16.946 29.720 -17.355 1.00 32.66 O ATOM 2521 CG2 THR A1103 18.110 31.185 -15.882 1.00 27.88 C ATOM 2522 HG1 THR A1103 16.479 29.627 -18.223 1.00 0.00 H ATOM 2523 H THR A1103 15.303 30.655 -15.571 1.00 0.00 H ATOM 2524 N GLU A1104 14.323 31.117 -18.735 1.00 21.43 N ATOM 2525 CA GLU A1104 13.520 31.109 -19.970 1.00 22.86 C ATOM 2526 C GLU A1104 12.641 32.351 -20.066 1.00 24.22 C ATOM 2527 O GLU A1104 12.445 32.889 -21.159 1.00 22.56 O ATOM 2528 CB GLU A1104 12.658 29.870 -20.056 1.00 24.98 C ATOM 2529 CG GLU A1104 13.402 28.672 -20.618 1.00 33.01 C ATOM 2530 CD GLU A1104 12.474 27.524 -20.956 1.00 58.83 C ATOM 2531 OE1 GLU A1104 11.455 27.728 -21.663 1.00 71.82 O ATOM 2532 OE2 GLU A1104 12.800 26.400 -20.524 1.00 48.75 O ATOM 2533 H GLU A1104 14.085 30.441 -17.981 1.00 0.00 H ATOM 2534 N CYS A1105 12.117 32.826 -18.918 1.00 20.51 N ATOM 2535 CA CYS A1105 11.323 34.060 -18.900 1.00 19.79 C ATOM 2536 C CYS A1105 12.230 35.228 -19.242 1.00 23.17 C ATOM 2537 O CYS A1105 11.779 36.210 -19.833 1.00 21.53 O ATOM 2538 CB CYS A1105 10.687 34.257 -17.525 1.00 19.27 C ATOM 2539 SG CYS A1105 9.384 33.087 -17.165 1.00 22.70 S ATOM 2540 H CYS A1105 12.278 32.309 -18.030 1.00 0.00 H ATOM 2541 N TRP A1106 13.511 35.156 -18.832 1.00 18.91 N ATOM 2542 CA TRP A1106 14.458 36.216 -19.053 1.00 19.00 C ATOM 2543 C TRP A1106 15.192 36.094 -20.412 1.00 23.25 C ATOM 2544 O TRP A1106 16.398 36.336 -20.495 1.00 22.40 O ATOM 2545 CB TRP A1106 15.465 36.316 -17.901 1.00 19.17 C ATOM 2546 CG TRP A1106 14.863 36.497 -16.548 1.00 20.64 C ATOM 2547 CD1 TRP A1106 13.732 37.186 -16.220 1.00 22.85 C ATOM 2548 CD2 TRP A1106 15.409 36.003 -15.317 1.00 21.04 C ATOM 2549 NE1 TRP A1106 13.513 37.118 -14.861 1.00 21.81 N ATOM 2550 CE2 TRP A1106 14.541 36.413 -14.280 1.00 23.91 C ATOM 2551 CE3 TRP A1106 16.551 35.240 -14.995 1.00 22.02 C ATOM 2552 CZ2 TRP A1106 14.785 36.097 -12.942 1.00 23.59 C ATOM 2553 CZ3 TRP A1106 16.810 34.956 -13.663 1.00 22.64 C ATOM 2554 CH2 TRP A1106 15.914 35.350 -12.654 1.00 23.50 C ATOM 2555 HE1 TRP A1106 12.703 37.532 -14.357 1.00 0.00 H ATOM 2556 H TRP A1106 13.828 34.299 -18.335 1.00 0.00 H ATOM 2557 N ASN A1107 14.450 35.820 -21.465 1.00 21.93 N ATOM 2558 CA ASN A1107 15.063 35.733 -22.778 1.00 21.89 C ATOM 2559 C ASN A1107 15.115 37.146 -23.370 1.00 24.90 C ATOM 2560 O ASN A1107 14.096 37.845 -23.364 1.00 23.90 O ATOM 2561 CB ASN A1107 14.249 34.794 -23.689 1.00 21.77 C ATOM 2562 CG ASN A1107 15.035 34.305 -24.879 1.00 27.61 C ATOM 2563 OD1 ASN A1107 15.711 35.063 -25.569 1.00 26.18 O ATOM 2564 ND2 ASN A1107 15.015 33.012 -25.121 1.00 23.96 N ATOM 2565 HD22 ASN A1107 14.438 32.381 -24.529 1.00 0.00 H ATOM 2566 HD21 ASN A1107 15.576 32.621 -25.904 1.00 0.00 H ATOM 2567 H ASN A1107 13.427 35.666 -21.356 1.00 0.00 H ATOM 2568 N ASN A1108 16.266 37.555 -23.925 1.00 22.44 N ATOM 2569 CA ASN A1108 16.337 38.852 -24.607 1.00 22.64 C ATOM 2570 C ASN A1108 15.406 38.861 -25.822 1.00 26.74 C ATOM 2571 O ASN A1108 14.917 39.915 -26.198 1.00 28.13 O ATOM 2572 CB ASN A1108 17.762 39.120 -25.079 1.00 26.12 C ATOM 2573 CG ASN A1108 18.667 39.578 -23.949 1.00 36.36 C ATOM 2574 OD1 ASN A1108 18.217 40.097 -22.921 1.00 28.18 O ATOM 2575 ND2 ASN A1108 19.974 39.439 -24.135 1.00 31.06 N ATOM 2576 HD22 ASN A1108 20.331 39.000 -25.007 1.00 0.00 H ATOM 2577 HD21 ASN A1108 20.641 39.770 -23.408 1.00 0.00 H ATOM 2578 H ASN A1108 17.111 36.951 -23.872 1.00 0.00 H ATOM 2579 N ASN A1109 15.198 37.684 -26.459 1.00 23.48 N ATOM 2580 CA ASN A1109 14.330 37.587 -27.633 1.00 23.10 C ATOM 2581 C ASN A1109 12.901 37.539 -27.119 1.00 26.48 C ATOM 2582 O ASN A1109 12.475 36.548 -26.525 1.00 24.96 O ATOM 2583 CB ASN A1109 14.670 36.355 -28.467 1.00 27.43 C ATOM 2584 CG ASN A1109 16.095 36.348 -28.952 1.00 43.39 C ATOM 2585 OD1 ASN A1109 16.557 37.296 -29.575 1.00 38.77 O ATOM 2586 ND2 ASN A1109 16.845 35.320 -28.600 1.00 37.02 N ATOM 2587 HD22 ASN A1109 16.427 34.528 -28.071 1.00 0.00 H ATOM 2588 HD21 ASN A1109 17.854 35.302 -28.851 1.00 0.00 H ATOM 2589 H ASN A1109 15.668 36.827 -26.104 1.00 0.00 H ATOM 2590 N VAL A1110 12.170 38.624 -27.327 1.00 23.77 N ATOM 2591 CA VAL A1110 10.798 38.771 -26.833 1.00 22.76 C ATOM 2592 C VAL A1110 9.883 37.615 -27.241 1.00 25.89 C ATOM 2593 O VAL A1110 9.111 37.110 -26.406 1.00 25.33 O ATOM 2594 CB VAL A1110 10.248 40.155 -27.264 1.00 28.22 C ATOM 2595 CG1 VAL A1110 8.826 40.359 -26.771 1.00 27.90 C ATOM 2596 CG2 VAL A1110 11.148 41.261 -26.727 1.00 28.06 C ATOM 2597 H VAL A1110 12.589 39.408 -27.866 1.00 0.00 H ATOM 2598 N ASN A1111 9.988 37.156 -28.513 1.00 22.09 N ATOM 2599 CA ASN A1111 9.120 36.097 -29.007 1.00 21.55 C ATOM 2600 C ASN A1111 9.474 34.724 -28.473 1.00 24.56 C ATOM 2601 O ASN A1111 8.693 33.814 -28.683 1.00 25.35 O ATOM 2602 CB ASN A1111 9.140 36.072 -30.559 1.00 25.09 C ATOM 2603 CG ASN A1111 10.471 35.630 -31.131 1.00 41.42 C ATOM 2604 OD1 ASN A1111 11.517 36.123 -30.730 1.00 32.64 O ATOM 2605 ND2 ASN A1111 10.470 34.692 -32.080 1.00 33.89 N ATOM 2606 HD22 ASN A1111 9.571 34.285 -32.408 1.00 0.00 H ATOM 2607 HD21 ASN A1111 11.368 34.368 -32.492 1.00 0.00 H ATOM 2608 H ASN A1111 10.702 37.568 -29.147 1.00 0.00 H ATOM 2609 N GLN A1112 10.624 34.555 -27.819 1.00 20.17 N ATOM 2610 CA GLN A1112 11.046 33.242 -27.312 1.00 21.17 C ATOM 2611 C GLN A1112 10.667 32.972 -25.853 1.00 26.24 C ATOM 2612 O GLN A1112 10.894 31.865 -25.352 1.00 27.65 O ATOM 2613 CB GLN A1112 12.555 33.070 -27.513 1.00 23.00 C ATOM 2614 CG GLN A1112 12.854 32.788 -29.008 1.00 30.10 C ATOM 2615 CD GLN A1112 14.300 32.891 -29.418 1.00 51.87 C ATOM 2616 OE1 GLN A1112 15.219 32.670 -28.654 1.00 44.93 O ATOM 2617 NE2 GLN A1112 14.529 33.143 -30.699 1.00 55.01 N ATOM 2618 HE22 GLN A1112 13.734 33.331 -31.342 1.00 0.00 H ATOM 2619 HE21 GLN A1112 15.504 33.153 -31.061 1.00 0.00 H ATOM 2620 H GLN A1112 11.241 35.378 -27.663 1.00 0.00 H ATOM 2621 N ARG A1113 10.065 33.950 -25.194 1.00 20.78 N ATOM 2622 CA ARG A1113 9.651 33.780 -23.808 1.00 20.95 C ATOM 2623 C ARG A1113 8.429 32.880 -23.755 1.00 24.20 C ATOM 2624 O ARG A1113 7.611 32.905 -24.687 1.00 21.98 O ATOM 2625 CB ARG A1113 9.351 35.153 -23.178 1.00 21.27 C ATOM 2626 CG ARG A1113 10.577 36.029 -23.104 1.00 20.15 C ATOM 2627 CD ARG A1113 10.307 37.375 -22.425 1.00 19.33 C ATOM 2628 NE ARG A1113 11.411 38.290 -22.717 1.00 18.20 N ATOM 2629 CZ ARG A1113 11.279 39.607 -22.905 1.00 24.67 C ATOM 2630 NH1 ARG A1113 10.088 40.194 -22.776 1.00 19.53 N ATOM 2631 NH2 ARG A1113 12.329 40.340 -23.250 1.00 22.66 N ATOM 2632 HE ARG A1113 12.367 37.887 -22.783 1.00 0.00 H ATOM 2633 HH12 ARG A1113 9.995 41.219 -22.924 1.00 0.00 H ATOM 2634 HH11 ARG A1113 9.253 39.626 -22.527 1.00 0.00 H ATOM 2635 HH22 ARG A1113 12.223 41.364 -23.395 1.00 0.00 H ATOM 2636 HH21 ARG A1113 13.258 39.891 -23.375 1.00 0.00 H ATOM 2637 H ARG A1113 9.885 34.855 -25.674 1.00 0.00 H ATOM 2638 N PRO A1114 8.287 32.042 -22.707 1.00 21.01 N ATOM 2639 CA PRO A1114 7.111 31.152 -22.658 1.00 20.85 C ATOM 2640 C PRO A1114 5.809 31.927 -22.474 1.00 22.18 C ATOM 2641 O PRO A1114 5.828 33.092 -22.065 1.00 21.53 O ATOM 2642 CB PRO A1114 7.356 30.275 -21.420 1.00 23.27 C ATOM 2643 CG PRO A1114 8.533 30.789 -20.751 1.00 26.37 C ATOM 2644 CD PRO A1114 9.197 31.839 -21.566 1.00 21.09 C ATOM 2645 N SER A1115 4.680 31.262 -22.751 1.00 18.68 N ATOM 2646 CA SER A1115 3.369 31.853 -22.506 1.00 18.31 C ATOM 2647 C SER A1115 2.997 31.633 -21.048 1.00 19.88 C ATOM 2648 O SER A1115 3.521 30.685 -20.434 1.00 19.64 O ATOM 2649 CB SER A1115 2.327 31.187 -23.408 1.00 21.11 C ATOM 2650 OG SER A1115 2.185 29.826 -23.012 1.00 20.69 O ATOM 2651 HG SER A1115 1.888 29.787 -22.068 1.00 0.00 H ATOM 2652 H SER A1115 4.739 30.303 -23.150 1.00 0.00 H ATOM 2653 N PHE A1116 2.018 32.408 -20.509 1.00 17.36 N ATOM 2654 CA PHE A1116 1.555 32.147 -19.136 1.00 16.78 C ATOM 2655 C PHE A1116 0.869 30.778 -19.048 1.00 21.40 C ATOM 2656 O PHE A1116 1.007 30.118 -18.024 1.00 21.29 O ATOM 2657 CB PHE A1116 0.631 33.270 -18.594 1.00 18.44 C ATOM 2658 CG PHE A1116 1.434 34.446 -18.079 1.00 17.64 C ATOM 2659 CD1 PHE A1116 2.199 34.337 -16.915 1.00 18.55 C ATOM 2660 CD2 PHE A1116 1.429 35.666 -18.759 1.00 18.56 C ATOM 2661 CE1 PHE A1116 2.971 35.419 -16.460 1.00 19.94 C ATOM 2662 CE2 PHE A1116 2.153 36.764 -18.273 1.00 20.03 C ATOM 2663 CZ PHE A1116 2.953 36.624 -17.151 1.00 18.71 C ATOM 2664 H PHE A1116 1.599 33.181 -21.064 1.00 0.00 H ATOM 2665 N ARG A1117 0.181 30.326 -20.137 1.00 19.73 N ATOM 2666 CA ARG A1117 -0.416 28.972 -20.124 1.00 19.95 C ATOM 2667 C ARG A1117 0.643 27.864 -19.976 1.00 22.87 C ATOM 2668 O ARG A1117 0.449 26.941 -19.172 1.00 23.61 O ATOM 2669 CB ARG A1117 -1.311 28.738 -21.359 1.00 20.50 C ATOM 2670 CG ARG A1117 -2.679 29.398 -21.208 1.00 24.41 C ATOM 2671 CD ARG A1117 -3.509 29.295 -22.490 1.00 27.45 C ATOM 2672 NE ARG A1117 -2.886 30.053 -23.581 1.00 30.20 N ATOM 2673 CZ ARG A1117 -3.345 30.102 -24.823 1.00 39.90 C ATOM 2674 NH1 ARG A1117 -4.406 29.392 -25.172 1.00 31.07 N ATOM 2675 NH2 ARG A1117 -2.723 30.832 -25.737 1.00 30.09 N ATOM 2676 HE ARG A1117 -2.022 30.590 -23.364 1.00 0.00 H ATOM 2677 HH12 ARG A1117 -4.762 29.434 -26.148 1.00 0.00 H ATOM 2678 HH11 ARG A1117 -4.884 28.792 -24.470 1.00 0.00 H ATOM 2679 HH22 ARG A1117 -3.087 30.867 -26.710 1.00 0.00 H ATOM 2680 HH21 ARG A1117 -1.870 31.370 -25.481 1.00 0.00 H ATOM 2681 H ARG A1117 0.076 30.933 -20.975 1.00 0.00 H ATOM 2682 N ASP A1118 1.779 27.970 -20.694 1.00 20.71 N ATOM 2683 CA ASP A1118 2.862 26.983 -20.588 1.00 21.82 C ATOM 2684 C ASP A1118 3.586 27.077 -19.265 1.00 24.69 C ATOM 2685 O ASP A1118 4.019 26.053 -18.717 1.00 23.34 O ATOM 2686 CB ASP A1118 3.837 27.071 -21.768 1.00 23.63 C ATOM 2687 CG ASP A1118 3.205 26.469 -23.017 1.00 30.32 C ATOM 2688 OD1 ASP A1118 2.116 25.864 -22.899 1.00 29.67 O ATOM 2689 OD2 ASP A1118 3.787 26.609 -24.095 1.00 27.65 O ATOM 2690 H ASP A1118 1.892 28.775 -21.343 1.00 0.00 H ATOM 2691 N LEU A1119 3.711 28.292 -18.726 1.00 20.16 N ATOM 2692 CA LEU A1119 4.317 28.429 -17.392 1.00 19.61 C ATOM 2693 C LEU A1119 3.459 27.728 -16.357 1.00 23.56 C ATOM 2694 O LEU A1119 4.015 27.022 -15.510 1.00 24.01 O ATOM 2695 CB LEU A1119 4.507 29.925 -17.040 1.00 18.65 C ATOM 2696 CG LEU A1119 5.619 30.615 -17.812 1.00 21.15 C ATOM 2697 CD1 LEU A1119 5.511 32.151 -17.699 1.00 19.14 C ATOM 2698 CD2 LEU A1119 6.988 30.171 -17.320 1.00 19.90 C ATOM 2699 H LEU A1119 3.384 29.133 -19.243 1.00 0.00 H ATOM 2700 N ALA A1120 2.121 27.891 -16.419 1.00 21.24 N ATOM 2701 CA ALA A1120 1.220 27.208 -15.454 1.00 21.85 C ATOM 2702 C ALA A1120 1.342 25.678 -15.613 1.00 28.18 C ATOM 2703 O ALA A1120 1.397 24.961 -14.606 1.00 25.83 O ATOM 2704 CB ALA A1120 -0.220 27.632 -15.676 1.00 22.34 C ATOM 2705 H ALA A1120 1.714 28.504 -17.154 1.00 0.00 H ATOM 2706 N LEU A1121 1.400 25.179 -16.872 1.00 26.19 N ATOM 2707 CA LEU A1121 1.553 23.723 -17.091 1.00 26.57 C ATOM 2708 C LEU A1121 2.838 23.213 -16.465 1.00 29.05 C ATOM 2709 O LEU A1121 2.827 22.192 -15.776 1.00 30.41 O ATOM 2710 CB LEU A1121 1.547 23.363 -18.599 1.00 27.09 C ATOM 2711 CG LEU A1121 0.221 23.451 -19.343 1.00 33.96 C ATOM 2712 CD1 LEU A1121 0.444 23.293 -20.859 1.00 35.15 C ATOM 2713 CD2 LEU A1121 -0.778 22.364 -18.867 1.00 38.69 C ATOM 2714 H LEU A1121 1.337 25.822 -17.687 1.00 0.00 H ATOM 2715 N ARG A1122 3.942 23.905 -16.712 1.00 23.77 N ATOM 2716 CA ARG A1122 5.251 23.527 -16.239 1.00 23.93 C ATOM 2717 C ARG A1122 5.309 23.535 -14.723 1.00 28.23 C ATOM 2718 O ARG A1122 5.842 22.589 -14.109 1.00 27.12 O ATOM 2719 CB ARG A1122 6.305 24.449 -16.831 1.00 26.70 C ATOM 2720 CG ARG A1122 7.587 23.710 -17.085 1.00 51.67 C ATOM 2721 CD ARG A1122 8.585 24.505 -17.880 1.00 68.22 C ATOM 2722 NE ARG A1122 8.052 25.142 -19.084 1.00 72.12 N ATOM 2723 CZ ARG A1122 8.501 26.291 -19.563 1.00 87.30 C ATOM 2724 NH1 ARG A1122 9.492 26.928 -18.955 1.00 68.58 N ATOM 2725 NH2 ARG A1122 7.951 26.825 -20.648 1.00 81.15 N ATOM 2726 HE ARG A1122 7.278 24.666 -19.591 1.00 0.00 H ATOM 2727 HH12 ARG A1122 9.841 27.831 -19.336 1.00 0.00 H ATOM 2728 HH11 ARG A1122 9.920 26.525 -18.097 1.00 0.00 H ATOM 2729 HH22 ARG A1122 8.307 27.728 -21.021 1.00 0.00 H ATOM 2730 HH21 ARG A1122 7.164 26.340 -21.125 1.00 0.00 H ATOM 2731 H ARG A1122 3.859 24.772 -17.281 1.00 0.00 H ATOM 2732 N VAL A1123 4.789 24.615 -14.113 1.00 22.97 N ATOM 2733 CA VAL A1123 4.790 24.745 -12.645 1.00 21.93 C ATOM 2734 C VAL A1123 3.930 23.647 -12.031 1.00 26.27 C ATOM 2735 O VAL A1123 4.354 23.032 -11.046 1.00 28.08 O ATOM 2736 CB VAL A1123 4.348 26.184 -12.221 1.00 25.43 C ATOM 2737 CG1 VAL A1123 4.013 26.255 -10.734 1.00 24.85 C ATOM 2738 CG2 VAL A1123 5.437 27.207 -12.571 1.00 24.46 C ATOM 2739 H VAL A1123 4.377 25.376 -14.690 1.00 0.00 H ATOM 2740 N ASP A1124 2.730 23.392 -12.593 1.00 24.40 N ATOM 2741 CA ASP A1124 1.838 22.355 -12.062 1.00 26.06 C ATOM 2742 C ASP A1124 2.445 20.954 -12.205 1.00 32.15 C ATOM 2743 O ASP A1124 2.250 20.121 -11.316 1.00 31.73 O ATOM 2744 CB ASP A1124 0.422 22.440 -12.664 1.00 27.51 C ATOM 2745 CG ASP A1124 -0.397 23.664 -12.243 1.00 31.24 C ATOM 2746 OD1 ASP A1124 -0.015 24.331 -11.253 1.00 28.67 O ATOM 2747 OD2 ASP A1124 -1.434 23.924 -12.871 1.00 31.80 O ATOM 2748 H ASP A1124 2.430 23.944 -13.422 1.00 0.00 H ATOM 2749 N GLN A1125 3.207 20.712 -13.282 1.00 30.10 N ATOM 2750 CA GLN A1125 3.880 19.417 -13.498 1.00 31.56 C ATOM 2751 C GLN A1125 4.933 19.201 -12.403 1.00 36.31 C ATOM 2752 O GLN A1125 5.002 18.108 -11.818 1.00 37.75 O ATOM 2753 CB GLN A1125 4.530 19.391 -14.894 1.00 33.16 C ATOM 2754 CG GLN A1125 5.340 18.136 -15.215 1.00 56.60 C ATOM 2755 CD GLN A1125 6.110 18.241 -16.519 1.00 81.57 C ATOM 2756 OE1 GLN A1125 6.446 19.335 -17.014 1.00 72.39 O ATOM 2757 NE2 GLN A1125 6.435 17.088 -17.092 1.00 78.44 N ATOM 2758 HE22 GLN A1125 6.141 16.190 -16.657 1.00 0.00 H ATOM 2759 HE21 GLN A1125 6.983 17.083 -17.976 1.00 0.00 H ATOM 2760 H GLN A1125 3.328 21.464 -13.990 1.00 0.00 H ATOM 2761 N ILE A1126 5.729 20.245 -12.110 1.00 30.54 N ATOM 2762 CA ILE A1126 6.768 20.199 -11.085 1.00 30.88 C ATOM 2763 C ILE A1126 6.120 19.989 -9.723 1.00 37.20 C ATOM 2764 O ILE A1126 6.606 19.150 -8.957 1.00 36.33 O ATOM 2765 CB ILE A1126 7.718 21.412 -11.133 1.00 33.16 C ATOM 2766 CG1 ILE A1126 8.563 21.407 -12.440 1.00 33.46 C ATOM 2767 CG2 ILE A1126 8.620 21.472 -9.892 1.00 33.18 C ATOM 2768 CD1 ILE A1126 9.199 22.711 -12.814 1.00 34.51 C ATOM 2769 H ILE A1126 5.598 21.130 -12.640 1.00 0.00 H ATOM 2770 N ARG A1127 5.012 20.720 -9.432 1.00 35.37 N ATOM 2771 CA ARG A1127 4.261 20.564 -8.166 1.00 37.14 C ATOM 2772 C ARG A1127 3.813 19.119 -8.004 1.00 42.98 C ATOM 2773 O ARG A1127 3.975 18.552 -6.920 1.00 42.91 O ATOM 2774 CB ARG A1127 3.001 21.443 -8.149 1.00 37.16 C ATOM 2775 CG ARG A1127 3.265 22.905 -8.010 1.00 39.83 C ATOM 2776 CD ARG A1127 2.007 23.725 -8.295 1.00 36.25 C ATOM 2777 NE ARG A1127 1.016 23.541 -7.236 1.00 44.08 N ATOM 2778 CZ ARG A1127 -0.287 23.755 -7.365 1.00 51.84 C ATOM 2779 NH1 ARG A1127 -0.791 24.152 -8.523 1.00 35.95 N ATOM 2780 NH2 ARG A1127 -1.099 23.575 -6.331 1.00 38.70 N ATOM 2781 HE ARG A1127 1.359 23.217 -6.309 1.00 0.00 H ATOM 2782 HH12 ARG A1127 -1.814 24.318 -8.616 1.00 0.00 H ATOM 2783 HH11 ARG A1127 -0.164 24.298 -9.340 1.00 0.00 H ATOM 2784 HH22 ARG A1127 -2.120 23.744 -6.436 1.00 0.00 H ATOM 2785 HH21 ARG A1127 -0.715 23.265 -5.416 1.00 0.00 H ATOM 2786 H ARG A1127 4.678 21.418 -10.127 1.00 0.00 H ATOM 2787 N ASP A1128 3.220 18.547 -9.074 1.00 41.16 N ATOM 2788 CA ASP A1128 2.743 17.159 -9.097 1.00 43.20 C ATOM 2789 C ASP A1128 3.867 16.165 -8.805 1.00 48.56 C ATOM 2790 O ASP A1128 3.656 15.228 -8.040 1.00 49.69 O ATOM 2791 CB ASP A1128 2.062 16.834 -10.437 1.00 45.45 C ATOM 2792 CG ASP A1128 0.676 17.430 -10.597 1.00 60.46 C ATOM 2793 OD1 ASP A1128 0.081 17.836 -9.575 1.00 61.10 O ATOM 2794 OD2 ASP A1128 0.181 17.480 -11.745 1.00 70.90 O ATOM 2795 H ASP A1128 3.094 19.123 -9.931 1.00 0.00 H ATOM 2796 N ASN A1129 5.059 16.390 -9.393 1.00 45.60 N ATOM 2797 CA ASN A1129 6.259 15.571 -9.208 1.00 45.82 C ATOM 2798 C ASN A1129 6.692 15.601 -7.739 1.00 51.34 C ATOM 2799 O ASN A1129 6.914 14.556 -7.132 1.00 50.93 O ATOM 2800 CB ASN A1129 7.403 16.074 -10.097 1.00 46.41 C ATOM 2801 CG ASN A1129 7.605 15.317 -11.390 1.00 83.33 C ATOM 2802 OD1 ASN A1129 7.792 14.091 -11.407 1.00 89.45 O ATOM 2803 ND2 ASN A1129 7.681 16.045 -12.501 1.00 70.68 N ATOM 2804 HD22 ASN A1129 7.520 17.072 -12.462 1.00 0.00 H ATOM 2805 HD21 ASN A1129 7.901 15.587 -13.409 1.00 0.00 H ATOM 2806 H ASN A1129 5.132 17.210 -10.028 1.00 0.00 H ATOM 2807 N MET A1130 6.785 16.803 -7.166 1.00 47.21 N ATOM 2808 CA MET A1130 7.172 17.022 -5.773 1.00 46.79 C ATOM 2809 C MET A1130 6.203 16.371 -4.772 1.00 55.73 C ATOM 2810 O MET A1130 6.645 15.884 -3.733 1.00 55.93 O ATOM 2811 CB MET A1130 7.291 18.521 -5.502 1.00 47.77 C ATOM 2812 CG MET A1130 8.459 19.157 -6.211 1.00 49.26 C ATOM 2813 SD MET A1130 8.462 20.940 -6.028 1.00 51.04 S ATOM 2814 CE MET A1130 9.053 21.059 -4.357 1.00 47.95 C ATOM 2815 H MET A1130 6.568 17.637 -7.748 1.00 0.00 H ATOM 2816 N ALA A1131 4.899 16.346 -5.095 1.00 56.28 N ATOM 2817 CA ALA A1131 3.849 15.749 -4.260 1.00 58.50 C ATOM 2818 C ALA A1131 3.674 14.238 -4.481 1.00 69.04 C ATOM 2819 O ALA A1131 2.953 13.588 -3.717 1.00 69.62 O ATOM 2820 CB ALA A1131 2.523 16.453 -4.510 1.00 58.93 C ATOM 2821 H ALA A1131 4.614 16.779 -5.997 1.00 0.00 H ATOM 2822 N GLY A1132 4.289 13.704 -5.527 1.00 69.28 N ATOM 2823 CA GLY A1132 4.147 12.294 -5.858 1.00 70.70 C ATOM 2824 C GLY A1132 2.927 12.016 -6.711 1.00 78.20 C ATOM 2825 O GLY A1132 3.047 11.288 -7.704 1.00 78.43 O ATOM 2826 H GLY A1132 4.888 14.308 -6.126 1.00 0.00 H ATOM 2827 N HIS A1133 1.756 12.607 -6.373 1.00 76.24 N ATOM 2828 CA HIS A1133 0.536 12.440 -7.170 1.00121.28 C ATOM 2829 C HIS A1133 0.603 13.312 -8.430 1.00141.53 C ATOM 2830 O HIS A1133 1.059 12.854 -9.477 1.00 98.79 O ATOM 2831 CB HIS A1133 -0.724 12.759 -6.346 1.00122.27 C ATOM 2832 CG HIS A1133 -1.991 12.696 -7.145 1.00125.90 C ATOM 2833 ND1 HIS A1133 -2.550 11.485 -7.519 1.00127.77 N ATOM 2834 CD2 HIS A1133 -2.749 13.700 -7.645 1.00127.74 C ATOM 2835 CE1 HIS A1133 -3.630 11.790 -8.220 1.00127.21 C ATOM 2836 NE2 HIS A1133 -3.791 13.110 -8.322 1.00127.52 N ATOM 2837 H HIS A1133 1.721 13.200 -5.519 1.00 0.00 H TER 2838 HIS A1133 HETATM 2839 O HOH 1 -18.727 43.687 13.698 1.00 34.10 O HETATM 2840 O HOH 2 -11.448 37.342 0.203 1.00 56.47 O HETATM 2841 O HOH 3 16.914 31.265 -1.467 1.00 44.50 O HETATM 2842 O HOH 4 -3.991 57.504 3.562 1.00 53.13 O HETATM 2843 O HOH 5 5.717 50.062 -15.365 1.00 40.80 O HETATM 2844 O HOH 6 2.773 49.023 -5.546 1.00 36.44 O HETATM 2845 O HOH 7 -6.712 31.367 -21.235 1.00 35.35 O HETATM 2846 O HOH 8 5.303 28.766 -24.338 1.00 25.07 O HETATM 2847 O HOH 9 -0.851 31.928 -22.480 1.00 22.42 O HETATM 2848 O HOH 10 23.082 23.306 -10.751 1.00 50.09 O HETATM 2849 O HOH 11 11.978 41.379 -3.508 1.00 38.72 O HETATM 2850 O HOH 12 3.322 46.283 -1.081 1.00 34.72 O HETATM 2851 O HOH 13 -17.293 50.862 13.844 1.00 46.94 O HETATM 2852 O HOH 14 2.745 50.979 -9.078 1.00 43.85 O HETATM 2853 O HOH 15 -19.433 46.650 2.368 1.00 41.20 O HETATM 2854 O HOH 16 16.672 31.045 -27.129 1.00 62.36 O HETATM 2855 O HOH 17 -8.278 59.831 -5.083 1.00 35.96 O HETATM 2856 O HOH 18 -4.318 33.831 -24.098 1.00 41.10 O HETATM 2857 O HOH 19 19.393 45.309 -22.799 1.00 35.05 O HETATM 2858 O HOH 20 4.522 45.071 0.942 1.00 39.75 O HETATM 2859 O HOH 21 4.533 25.126 3.583 1.00 47.67 O HETATM 2860 O HOH 22 -10.040 44.501 -23.489 1.00 54.06 O HETATM 2861 O HOH 23 -2.284 42.444 -32.896 1.00 52.94 O HETATM 2862 O HOH 24 1.383 41.165 -26.009 1.00 21.96 O HETATM 2863 O HOH 25 -4.371 53.732 -15.205 1.00 32.25 O HETATM 2864 O HOH 26 -1.695 22.856 -15.310 1.00 53.57 O HETATM 2865 O HOH 27 -3.447 54.562 -8.945 1.00 44.36 O HETATM 2866 O HOH 28 -14.637 37.626 -17.154 1.00 44.23 O HETATM 2867 O HOH 29 20.492 25.670 -12.442 1.00 47.82 O HETATM 2868 O HOH 30 1.768 22.965 -4.723 1.00 43.18 O HETATM 2869 O HOH 31 14.230 39.087 -2.977 1.00 41.04 O HETATM 2870 O HOH 32 -9.180 34.996 4.256 1.00 42.88 O HETATM 2871 O HOH 33 -12.968 57.885 7.480 1.00 50.62 O HETATM 2872 O HOH 34 7.062 44.686 -16.605 1.00 22.94 O HETATM 2873 O HOH 35 14.295 42.480 -25.659 1.00 30.82 O HETATM 2874 O HOH 36 8.748 24.673 6.211 1.00 57.94 O HETATM 2875 O HOH 37 -6.803 45.288 -27.514 1.00 39.60 O HETATM 2876 O HOH 38 -0.881 60.926 -6.397 1.00 44.42 O HETATM 2877 O HOH 39 15.994 46.749 -27.255 1.00 47.74 O HETATM 2878 O HOH 40 -6.655 32.236 7.354 1.00 40.77 O HETATM 2879 O HOH 41 -0.870 39.769 -26.584 1.00 28.80 O HETATM 2880 O HOH 42 3.875 46.703 3.308 1.00 50.05 O HETATM 2881 O HOH 43 11.133 35.639 9.294 1.00 52.71 O HETATM 2882 O HOH 44 -5.878 48.460 -8.588 1.00 27.65 O HETATM 2883 O HOH 45 6.978 35.516 -25.941 1.00 25.73 O HETATM 2884 O HOH 46 22.844 34.193 -18.759 1.00 55.12 O HETATM 2885 O HOH 47 15.667 44.714 -15.606 1.00 22.69 O HETATM 2886 O HOH 48 7.340 46.131 -14.337 1.00 38.56 O HETATM 2887 O HOH 49 -15.235 47.997 -16.515 1.00 35.32 O HETATM 2888 O HOH 50 4.830 49.153 -7.347 1.00 52.05 O HETATM 2889 O HOH 51 -13.319 28.531 -8.493 1.00 61.43 O HETATM 2890 O HOH 52 12.032 23.633 -16.025 1.00 30.82 O HETATM 2891 O HOH 53 12.414 21.798 -4.111 1.00 39.33 O HETATM 2892 O HOH 54 7.632 44.117 -24.506 1.00 23.16 O HETATM 2893 O HOH 55 17.846 34.171 -0.337 1.00 33.58 O HETATM 2894 O HOH 56 -20.451 46.987 5.127 1.00 33.25 O HETATM 2895 O HOH 57 -15.080 42.854 -10.841 1.00 43.16 O HETATM 2896 O HOH 58 2.427 49.078 -0.682 1.00 37.68 O HETATM 2897 O HOH 59 0.027 64.539 -12.384 1.00 47.94 O HETATM 2898 O HOH 60 7.177 44.881 1.417 1.00 58.04 O HETATM 2899 O HOH 61 1.575 50.048 -29.874 1.00 40.73 O HETATM 2900 O HOH 62 -24.641 52.329 2.076 1.00 51.67 O HETATM 2901 O HOH 63 -10.199 58.086 -17.716 1.00 42.03 O HETATM 2902 O HOH 64 -7.556 29.834 -9.562 1.00 54.96 O HETATM 2903 O HOH 65 17.335 29.306 -20.023 1.00 45.52 O HETATM 2904 O HOH 66 -20.187 57.982 -3.236 1.00 54.47 O HETATM 2905 O HOH 67 -17.300 42.402 -5.006 1.00 47.59 O HETATM 2906 O HOH 68 -3.228 38.909 -25.217 1.00 32.74 O HETATM 2907 O HOH 69 20.916 20.509 -9.103 1.00 34.18 O HETATM 2908 O HOH 70 11.866 24.346 -22.062 1.00 56.53 O HETATM 2909 O HOH 71 21.607 32.373 -15.533 1.00 53.90 O HETATM 2910 O HOH 72 -12.604 33.958 -14.224 1.00 52.29 O HETATM 2911 O HOH 73 -28.650 51.676 12.831 1.00 65.93 O HETATM 2912 O HOH 74 1.086 38.638 6.784 1.00 42.25 O HETATM 2913 O HOH 75 -23.225 48.838 9.217 1.00 36.80 O HETATM 2914 O HOH 76 -0.427 40.424 -19.628 1.00 20.50 O HETATM 2915 O HOH 77 -11.638 36.928 -20.755 1.00 48.54 O HETATM 2916 O HOH 78 1.417 46.731 4.387 1.00 46.86 O HETATM 2917 O HOH 79 6.282 23.764 5.541 1.00 56.26 O HETATM 2918 O HOH 80 -3.080 32.231 10.496 1.00 38.30 O HETATM 2919 O HOH 81 8.991 45.219 -18.459 1.00 24.92 O HETATM 2920 O HOH 82 12.897 31.459 -23.521 1.00 28.02 O HETATM 2921 O HOH 83 -11.891 42.234 -9.331 1.00 24.52 O HETATM 2922 O HOH 84 8.815 49.898 -36.239 1.00 55.46 O HETATM 2923 O HOH 85 -6.277 31.755 -16.373 1.00 30.52 O HETATM 2924 O HOH 86 6.062 31.968 -26.755 1.00 52.47 O HETATM 2925 O HOH 87 -18.996 42.578 10.297 1.00 36.52 O HETATM 2926 O HOH 88 0.523 50.934 -7.571 1.00 43.54 O HETATM 2927 O HOH 89 23.678 31.029 -6.865 1.00 42.09 O HETATM 2928 O HOH 90 24.498 36.037 -11.723 1.00 43.50 O HETATM 2929 O HOH 91 1.527 43.599 3.974 1.00 25.09 O HETATM 2930 O HOH 92 -13.731 43.055 2.346 1.00 22.13 O HETATM 2931 O HOH 93 -17.362 52.114 -11.038 1.00 43.10 O HETATM 2932 O HOH 94 -0.999 53.146 -7.676 1.00 44.88 O HETATM 2933 O HOH 95 -5.055 30.607 6.015 1.00 35.56 O HETATM 2934 O HOH 96 -4.383 51.073 -14.828 1.00 25.03 O HETATM 2935 O HOH 97 18.648 25.782 -14.452 1.00 34.86 O HETATM 2936 O HOH 98 5.168 44.506 -18.599 1.00 18.41 O HETATM 2937 O HOH 99 -5.235 51.161 -25.470 1.00 46.70 O HETATM 2938 O HOH 100 -11.682 40.165 4.760 1.00 27.07 O HETATM 2939 O HOH 101 26.859 46.784 -17.130 1.00 51.31 O HETATM 2940 O HOH 102 17.864 38.202 -14.320 1.00 23.30 O HETATM 2941 O HOH 103 16.324 32.680 -22.085 1.00 30.82 O HETATM 2942 O HOH 104 -11.382 37.020 -6.323 1.00 27.61 O HETATM 2943 O HOH 105 11.473 25.089 -18.272 1.00 44.29 O HETATM 2944 O HOH 106 -0.381 47.619 -12.637 1.00 22.58 O HETATM 2945 O HOH 107 14.210 42.338 2.850 1.00 62.43 O HETATM 2946 O HOH 108 -3.940 54.624 -12.177 1.00 39.23 O HETATM 2947 O HOH 109 1.199 56.037 -24.811 1.00 42.24 O HETATM 2948 O HOH 110 0.133 48.966 7.869 1.00 54.84 O HETATM 2949 O HOH 111 -4.601 47.982 -4.727 1.00 26.52 O HETATM 2950 O HOH 112 0.318 47.646 -10.001 1.00 26.36 O HETATM 2951 O HOH 113 7.813 43.996 -31.442 1.00 55.26 O HETATM 2952 O HOH 114 -15.800 59.118 7.047 1.00 53.36 O HETATM 2953 O HOH 115 -12.018 39.454 1.530 1.00 51.83 O HETATM 2954 O HOH 116 -7.829 30.573 -14.513 1.00 33.12 O HETATM 2955 O HOH 117 -0.975 37.853 -19.817 1.00 20.73 O HETATM 2956 O HOH 118 -2.259 26.202 -18.928 1.00 42.04 O HETATM 2957 O HOH 119 10.952 23.486 0.760 1.00 41.62 O HETATM 2958 O HOH 120 24.883 27.074 -8.704 1.00 67.71 O HETATM 2959 O HOH 121 -10.166 32.795 3.032 1.00 37.46 O HETATM 2960 O HOH 122 -11.636 39.274 -9.150 1.00 22.27 O HETATM 2961 O HOH 123 -12.661 36.665 -2.139 1.00 47.64 O HETATM 2962 O HOH 124 18.141 34.139 -18.905 1.00 26.60 O HETATM 2963 O HOH 125 -5.697 40.909 9.213 1.00 22.54 O HETATM 2964 O HOH 126 14.960 28.505 -2.380 1.00 28.24 O HETATM 2965 O HOH 127 18.692 36.089 -23.752 1.00 28.37 O HETATM 2966 O HOH 128 -28.616 48.684 13.989 1.00 55.88 O HETATM 2967 O HOH 129 -2.241 53.666 10.161 1.00 32.65 O HETATM 2968 O HOH 130 4.844 43.229 -15.154 1.00 21.88 O HETATM 2969 O HOH 131 8.363 43.233 -4.748 1.00 21.80 O HETATM 2970 O HOH 132 -5.024 51.949 -18.516 1.00 39.40 O HETATM 2971 O HOH 133 24.960 36.655 -14.902 1.00 42.98 O HETATM 2972 O HOH 134 3.164 23.040 1.635 1.00 42.93 O HETATM 2973 O HOH 135 1.056 34.319 -22.409 1.00 20.79 O HETATM 2974 O HOH 136 14.893 42.380 -14.525 1.00 23.10 O HETATM 2975 O HOH 137 -5.017 51.430 -21.296 1.00 40.05 O HETATM 2976 O HOH 138 10.671 53.180 -28.743 1.00 49.83 O HETATM 2977 O HOH 139 -13.975 54.474 -13.523 1.00 40.82 O HETATM 2978 O HOH 140 -11.250 32.165 -11.172 1.00 31.66 O HETATM 2979 O HOH 141 -19.680 59.925 -0.544 1.00 51.29 O HETATM 2980 O HOH 142 -1.131 57.783 -12.835 1.00 66.27 O HETATM 2981 O HOH 143 1.913 38.509 -29.173 1.00 49.91 O HETATM 2982 O HOH 144 18.796 27.739 -16.339 1.00 38.55 O HETATM 2983 O HOH 145 27.964 44.045 -19.311 1.00 59.62 O HETATM 2984 O HOH 146 -9.964 51.241 -18.556 1.00 39.03 O HETATM 2985 O HOH 147 -1.202 35.783 -21.749 1.00 21.19 O HETATM 2986 O HOH 148 5.526 35.512 -23.632 1.00 26.61 O HETATM 2987 O HOH 149 -4.253 66.349 -3.592 1.00 52.55 O HETATM 2988 O HOH 150 -3.419 27.101 -9.298 1.00 42.79 O HETATM 2989 O HOH 151 23.441 31.008 -10.479 1.00 42.64 O HETATM 2990 O HOH 152 22.031 33.391 -4.968 1.00 41.23 O HETATM 2991 O HOH 153 20.741 38.032 -26.569 1.00 50.76 O HETATM 2992 O HOH 154 -10.454 33.872 -4.146 1.00 32.03 O HETATM 2993 O HOH 155 12.571 54.433 -24.978 1.00 46.39 O HETATM 2994 O HOH 156 -15.793 42.148 -8.334 1.00 43.50 O HETATM 2995 O HOH 157 -4.599 38.674 -27.528 1.00 36.41 O HETATM 2996 O HOH 158 11.163 48.530 -7.865 1.00 44.61 O HETATM 2997 O HOH 159 1.436 26.916 4.752 1.00 74.17 O HETATM 2998 O HOH 160 1.570 54.145 -16.465 1.00 55.29 O HETATM 2999 O HOH 161 19.879 34.981 -4.855 1.00 34.81 O HETATM 3000 O HOH 162 -3.979 54.364 -17.819 1.00 37.10 O HETATM 3001 O HOH 163 -4.556 23.574 3.774 1.00 56.97 O HETATM 3002 O HOH 164 19.344 33.482 -2.482 1.00 38.74 O HETATM 3003 O HOH 165 -11.655 57.223 4.438 1.00 57.85 O HETATM 3004 O HOH 166 -3.631 60.267 3.633 1.00 47.32 O HETATM 3005 O HOH 167 8.342 21.365 -0.612 1.00 39.54 O HETATM 3006 O HOH 168 25.799 37.516 -9.860 1.00 66.51 O HETATM 3007 O HOH 169 1.380 52.141 -27.904 1.00 48.59 O HETATM 3008 O HOH 170 9.856 45.486 -4.091 1.00 47.51 O HETATM 3009 O HOH 171 1.674 29.525 4.029 1.00 47.55 O HETATM 3010 O HOH 172 -6.736 29.877 -6.402 1.00 28.44 O HETATM 3011 O HOH 173 -7.669 27.270 2.123 1.00 53.83 O HETATM 3012 O HOH 174 3.846 39.586 -26.077 1.00 23.12 O HETATM 3013 O HOH 175 2.054 57.161 -3.014 1.00 47.78 O HETATM 3014 O HOH 176 6.094 50.520 -9.497 1.00 39.39 O HETATM 3015 O HOH 177 14.171 38.978 5.067 1.00 62.41 O HETATM 3016 O HOH 178 16.225 20.417 -10.700 1.00 42.93 O HETATM 3017 O HOH 179 13.314 48.511 -9.547 1.00 29.31 O HETATM 3018 O HOH 180 -6.791 27.933 -3.309 1.00 67.14 O HETATM 3019 O HOH 181 13.326 40.607 -29.304 1.00 33.62 O HETATM 3020 O HOH 182 -0.514 32.824 -25.157 1.00 33.91 O HETATM 3021 O HOH 183 2.524 44.020 -32.964 1.00 34.72 O HETATM 3022 O HOH 184 -4.375 54.045 12.613 1.00 43.07 O HETATM 3023 O HOH 185 9.518 32.458 9.695 1.00 53.33 O HETATM 3024 O HOH 186 -4.170 26.427 -6.269 1.00 52.33 O HETATM 3025 O HOH 187 24.784 30.652 -0.022 1.00 52.13 O HETATM 3026 O HOH 188 -7.626 42.639 -30.865 1.00 55.01 O HETATM 3027 O HOH 189 7.452 45.350 -11.672 1.00 30.73 O HETATM 3028 O HOH 190 -7.491 49.422 -27.004 1.00 43.89 O HETATM 3029 O HOH 191 -21.015 60.854 2.333 1.00 55.36 O HETATM 3030 O HOH 192 10.542 52.959 -20.095 1.00 59.19 O HETATM 3031 O HOH 193 9.498 43.920 -29.055 1.00 42.98 O HETATM 3032 O HOH 194 13.404 54.710 -11.916 1.00 59.01 O HETATM 3033 O HOH 195 -1.943 30.265 -16.790 1.00 39.53 O HETATM 3034 O HOH 196 -18.829 50.048 -16.624 1.00 73.10 O HETATM 3035 O HOH 197 15.651 28.222 13.373 1.00 64.94 O HETATM 3036 O HOH 198 -11.322 48.470 -19.672 1.00 59.05 O HETATM 3037 O HOH 199 16.744 39.775 5.360 1.00 60.63 O HETATM 3038 O HOH 200 -8.451 64.960 -18.671 1.00 60.18 O HETATM 3039 O HOH 201 -0.159 33.605 10.705 1.00 42.18 O HETATM 3040 O HOH 202 2.396 64.399 -10.462 1.00 59.15 O HETATM 3041 O HOH 203 1.221 41.920 6.112 1.00 49.10 O HETATM 3042 O HOH 204 -19.000 43.066 -2.947 1.00 57.01 O HETATM 3043 O HOH 205 -6.381 27.032 7.209 1.00 68.29 O HETATM 3044 O HOH 206 2.116 53.447 4.117 1.00 53.65 O HETATM 3045 O HOH 207 -3.467 56.942 -10.876 1.00 50.10 O HETATM 3046 O HOH 208 0.110 60.795 3.584 1.00 50.44 O HETATM 3047 O HOH 209 15.741 39.780 -14.837 1.00 24.30 O HETATM 3048 O HOH 210 -17.732 40.022 5.324 1.00 41.23 O HETATM 3049 O HOH 211 -23.740 42.419 9.347 1.00 63.08 O HETATM 3050 O HOH 212 8.593 46.631 -1.577 1.00 49.08 O HETATM 3051 O HOH 213 5.359 42.039 -28.110 1.00 45.20 O HETATM 3052 O HOH 214 -13.981 37.904 -8.351 1.00 36.17 O HETATM 3053 O HOH 215 -19.842 45.119 -1.379 1.00 48.05 O HETATM 3054 O HOH 216 -8.295 28.296 -0.355 1.00 54.67 O HETATM 3055 O HOH 217 -7.824 32.658 -18.463 1.00 35.37 O HETATM 3056 O HOH 218 -19.962 41.513 7.864 1.00 52.93 O HETATM 3057 O HOH 219 7.440 44.016 -27.248 1.00 29.26 O HETATM 3058 O HOH 220 -24.054 46.831 7.608 1.00 44.45 O HETATM 3059 O HOH 221 -20.426 40.228 4.513 1.00 46.71 O HETATM 3060 O HOH 222 -14.559 40.373 1.902 1.00 43.62 O HETATM 3061 O HOH 223 -11.158 37.377 3.535 1.00 63.12 O HETATM 3062 O HOH 224 -17.059 45.967 -16.561 1.00 46.84 O HETATM 3063 O HOH 225 16.472 30.070 -22.799 1.00 56.13 O HETATM 3064 O HOH 226 -1.915 36.311 -24.284 1.00 29.44 O HETATM 3065 O HOH 227 17.795 37.539 -33.453 1.00 63.53 O HETATM 3066 O HOH 228 3.034 35.077 -24.348 1.00 28.89 O HETATM 3067 O HOH 229 13.828 43.168 -28.497 1.00 57.75 O HETATM 3068 O HOH 230 9.974 21.817 -16.541 1.00 60.48 O HETATM 3069 O HOH 231 -10.915 32.432 -15.953 1.00 49.18 O HETATM 3070 O HOH 232 18.777 33.539 -22.657 1.00 51.28 O HETATM 3071 O HOH 233 -12.089 35.092 -22.987 1.00 52.76 O HETATM 3072 O HOH 234 17.316 19.214 -13.158 1.00 50.63 O HETATM 3073 O HOH 235 3.010 36.975 -26.184 1.00 45.12 O HETATM 3074 O HOH 236 0.338 37.041 -26.235 1.00 43.36 O HETATM 3075 O HOH 237 16.776 44.021 -25.990 1.00 51.70 O HETATM 3076 O HOH 238 -2.954 24.686 -16.828 1.00 44.00 O HETATM 3077 O HOH 239 11.337 20.252 -1.803 1.00 70.30 O HETATM 3078 O HOH 240 -16.202 39.507 -8.223 1.00 48.17 O HETATM 3079 O HOH 241 -10.353 39.753 7.119 1.00 24.96 O HETATM 3080 O HOH 242 19.381 46.161 -25.360 1.00 54.14 O HETATM 3081 O HOH 243 -10.505 32.742 -18.637 1.00 60.55 O HETATM 3082 O HOH 244 -4.779 29.512 -17.163 1.00 48.89 O HETATM 3083 O HOH 245 -8.747 31.372 -22.956 1.00 53.76 O HETATM 3084 N14 UNN A 246 -1.653 46.852 0.709 1.00 -0.25 N HETATM 3085 C13 UNN A 246 -1.880 47.435 -0.534 1.00 0.13 C HETATM 3086 C15 UNN A 246 -0.901 48.350 -1.157 1.00 0.22 C HETATM 3087 N16 UNN A 246 -0.789 48.390 -2.501 1.00 -0.27 N HETATM 3088 C20 UNN A 246 -0.105 49.552 -3.117 1.00 0.04 C HETATM 3089 C22 UNN A 246 -0.850 50.362 -4.119 1.00 -0.03 C HETATM 3090 C23 UNN A 246 -0.554 50.929 -2.771 1.00 -0.03 C HETATM 3091 H10 UNN A 246 0.184 51.738 -2.664 1.00 0.03 H HETATM 3092 H11 UNN A 246 -1.367 51.077 -2.045 1.00 0.03 H HETATM 3093 H8 UNN A 246 -1.882 50.092 -4.388 1.00 0.03 H HETATM 3094 H9 UNN A 246 -0.331 50.753 -5.006 1.00 0.03 H HETATM 3095 H6 UNN A 246 0.964 49.333 -3.255 1.00 0.06 H HETATM 3096 C21 UNN A 246 -1.149 47.270 -3.408 1.00 0.04 C HETATM 3097 C24 UNN A 246 -0.769 45.874 -3.058 1.00 -0.03 C HETATM 3098 C25 UNN A 246 -0.050 46.593 -4.151 1.00 -0.03 C HETATM 3099 H21 UNN A 246 0.992 46.914 -4.006 1.00 0.03 H HETATM 3100 H22 UNN A 246 -0.198 46.291 -5.198 1.00 0.03 H HETATM 3101 H12 UNN A 246 -1.447 45.042 -3.300 1.00 0.03 H HETATM 3102 H13 UNN A 246 -0.257 45.665 -2.107 1.00 0.03 H HETATM 3103 H7 UNN A 246 -2.115 47.474 -3.893 1.00 0.06 H HETATM 3104 O17 UNN A 246 -0.285 49.118 -0.428 1.00 -0.39 O HETATM 3105 C12 UNN A 246 -3.120 47.057 -0.985 1.00 -0.04 C HETATM 3106 C1 UNN A 246 -3.691 46.211 0.004 1.00 0.02 C HETATM 3107 C2 UNN A 246 -2.755 46.112 1.044 1.00 0.11 C HETATM 3108 N3 UNN A 246 -2.840 45.393 2.169 1.00 -0.29 N HETATM 3109 C4 UNN A 246 -3.962 44.694 2.366 1.00 0.12 C HETATM 3110 C5 UNN A 246 -4.993 44.699 1.399 1.00 0.08 C HETATM 3111 C6 UNN A 246 -4.864 45.467 0.241 1.00 0.09 C HETATM 3112 N10 UNN A 246 -6.028 45.267 -0.468 1.00 -0.24 N HETATM 3113 C11 UNN A 246 -6.382 45.832 -1.763 1.00 0.05 C HETATM 3114 H14 UNN A 246 -7.381 45.478 -2.057 1.00 0.06 H HETATM 3115 H15 UNN A 246 -5.645 45.515 -2.515 1.00 0.06 H HETATM 3116 H16 UNN A 246 -6.388 46.930 -1.695 1.00 0.06 H HETATM 3117 C9 UNN A 246 -6.779 44.413 0.281 1.00 0.10 C HETATM 3118 N8 UNN A 246 -6.214 44.043 1.410 1.00 -0.31 N HETATM 3119 H20 UNN A 246 -7.764 44.066 -0.028 1.00 0.13 H HETATM 3120 N7 UNN A 246 -4.129 44.043 3.568 1.00 -0.27 N HETATM 3121 C26 UNN A 246 -3.247 44.052 4.650 1.00 0.10 C HETATM 3122 C27 UNN A 246 -3.715 43.458 5.815 1.00 -0.03 C HETATM 3123 C28 UNN A 246 -2.786 43.716 6.772 1.00 0.06 C HETATM 3124 N29 UNN A 246 -1.790 44.389 6.170 1.00 -0.22 N HETATM 3125 N30 UNN A 246 -2.053 44.620 4.837 1.00 -0.23 N HETATM 3126 C32 UNN A 246 -0.528 44.851 6.747 1.00 0.05 C HETATM 3127 H26 UNN A 246 0.060 45.370 5.975 1.00 0.06 H HETATM 3128 H27 UNN A 246 0.041 43.988 7.123 1.00 0.06 H HETATM 3129 H28 UNN A 246 -0.736 45.543 7.577 1.00 0.06 H HETATM 3130 C31 UNN A 246 -2.783 43.392 8.227 1.00 -0.00 C HETATM 3131 H23 UNN A 246 -3.700 42.840 8.482 1.00 0.04 H HETATM 3132 H24 UNN A 246 -2.743 44.324 8.810 1.00 0.04 H HETATM 3133 H25 UNN A 246 -1.905 42.773 8.463 1.00 0.04 H HETATM 3134 H18 UNN A 246 -4.641 42.898 5.937 1.00 0.02 H HETATM 3135 H19 UNN A 246 -4.993 43.493 3.680 1.00 0.21 H HETATM 3136 H17 UNN A 246 -3.581 47.351 -1.927 1.00 0.04 H HETATM 3137 C18 UNN A 246 -0.428 46.880 1.526 1.00 0.05 C HETATM 3138 C19 UNN A 246 0.461 45.711 1.151 1.00 -0.04 C HETATM 3139 H3 UNN A 246 1.375 45.734 1.763 1.00 0.03 H HETATM 3140 H4 UNN A 246 0.730 45.782 0.087 1.00 0.03 H HETATM 3141 H5 UNN A 246 -0.077 44.769 1.331 1.00 0.03 H HETATM 3142 H1 UNN A 246 -0.696 46.809 2.590 1.00 0.06 H HETATM 3143 H2 UNN A 246 0.111 47.822 1.346 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 758 759 768 769 770 CONECT 768 758 CONECT 769 758 CONECT 770 758 CONECT 1604 1596 1605 1620 CONECT 1605 1604 1606 1608 CONECT 1606 1605 1607 1621 CONECT 1607 1606 CONECT 1608 1605 1609 CONECT 1609 1608 1610 1619 CONECT 1610 1609 1611 CONECT 1611 1610 1612 CONECT 1612 1611 1613 1618 CONECT 1613 1612 1614 CONECT 1614 1613 1615 1616 1617 CONECT 1615 1614 CONECT 1616 1614 CONECT 1617 1614 CONECT 1618 1612 1619 CONECT 1619 1609 1618 CONECT 1620 1604 CONECT 1621 1606 1622 1637 CONECT 1622 1621 1623 1625 CONECT 1623 1622 1624 1638 CONECT 1624 1623 CONECT 1625 1622 1626 CONECT 1626 1625 1627 1636 CONECT 1627 1626 1628 CONECT 1628 1627 1629 CONECT 1629 1628 1630 1635 CONECT 1630 1629 1631 CONECT 1631 1630 1632 1633 1634 CONECT 1632 1631 CONECT 1633 1631 CONECT 1634 1631 CONECT 1635 1629 1636 CONECT 1636 1626 1635 CONECT 1637 1621 CONECT 3084 3085 3107 3137 CONECT 3085 3084 3086 3105 CONECT 3086 3085 3087 3104 CONECT 3087 3086 3088 3096 CONECT 3088 3087 3089 3090 3095 CONECT 3089 3088 3090 3093 3094 CONECT 3090 3088 3089 3091 3092 CONECT 3091 3090 CONECT 3092 3090 CONECT 3093 3089 CONECT 3094 3089 CONECT 3095 3088 CONECT 3096 3087 3097 3098 3103 CONECT 3097 3096 3098 3101 3102 CONECT 3098 3096 3097 3099 3100 CONECT 3099 3098 CONECT 3100 3098 CONECT 3101 3097 CONECT 3102 3097 CONECT 3103 3096 CONECT 3104 3086 CONECT 3105 3085 3106 3136 CONECT 3106 3105 3107 3111 CONECT 3107 3084 3106 3108 CONECT 3108 3107 3109 CONECT 3109 3108 3110 3120 CONECT 3110 3109 3111 3118 CONECT 3111 3106 3110 3112 CONECT 3112 3111 3113 3117 CONECT 3113 3112 3114 3115 3116 CONECT 3114 3113 CONECT 3115 3113 CONECT 3116 3113 CONECT 3117 3112 3118 3119 CONECT 3118 3110 3117 CONECT 3119 3117 CONECT 3120 3109 3121 3135 CONECT 3121 3120 3122 3125 CONECT 3122 3121 3123 3134 CONECT 3123 3122 3124 3130 CONECT 3124 3123 3125 3126 CONECT 3125 3121 3124 CONECT 3126 3124 3127 3128 3129 CONECT 3127 3126 CONECT 3128 3126 CONECT 3129 3126 CONECT 3130 3123 3131 3132 3133 CONECT 3131 3130 CONECT 3132 3130 CONECT 3133 3130 CONECT 3134 3122 CONECT 3135 3120 CONECT 3136 3105 CONECT 3137 3084 3138 3142 3143 CONECT 3138 3137 3139 3140 3141 CONECT 3139 3138 CONECT 3140 3138 CONECT 3141 3138 CONECT 3142 3137 CONECT 3143 3137 MASTER 0 0 0 0 0 0 0 0 3141 2 102 23 END
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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
5cf8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tyrosine-protein kinase JAK2
Ligand Name
50V
EC.Number
E.C.2.7.10.2
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=1.1nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Acs Med.Chem.Lett. Vol. 6: pp. 850-855
Ligand Properties
Formula
C
2
3
H
2
8
N
8
O
Molecular Weight
432.521
Exact Mass
432.239
No. of atoms
60
No. of bonds
65
Polar Surface Area
85.8
LOGP Value
2.90 (
Computed with XLOGP3
)
3.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 6
Canonical SMILES
CCn1c(cc2c1nc(Nc1nn(c(c1)C)C)c1c2n(C)cn1)C(=O)N(C1CC1)C1CC1
InChI String
InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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):
O60674
Entrez Gene ID
NCBI Entrez Gene ID:
3717
ASD
Information of known allosteric effects of PDB entries
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