Browse entries in the PDBbind-CN Database
HEADER 4PF3_COMPLEX COMPND 4PF3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 249 THR PRO SER PRO VAL MET VAL LEU GLU ASN ILE GLU PRO SEQRES 2 A 249 GLU ILE VAL TYR ALA GLY TYR ASP SER SER LYS PRO ASP SEQRES 3 A 249 THR ALA GLU ASN LEU LEU SER THR LEU ASN ARG LEU ALA SEQRES 4 A 249 GLY LYS GLN MET ILE GLN VAL VAL LYS TRP ALA LYS VAL SEQRES 5 A 249 LEU PRO GLY PHE LYS ASN LEU PRO LEU GLU ASP GLN ILE SEQRES 6 A 249 THR LEU ILE GLN TYR SER TRP MET SER LEU LEU SER PHE SEQRES 7 A 249 ALA LEU SER TRP ARG SER TYR LYS HIS THR ASN SER GLN SEQRES 8 A 249 PHE LEU TYR PHE ALA PRO ASP LEU VAL PHE ASN GLU GLU SEQRES 9 A 249 LYS MET HIS GLN SER ALA MET TYR GLU LEU CYS GLN GLY SEQRES 10 A 249 MET HIS GLN ILE SER LEU GLN PHE VAL ARG LEU GLN LEU SEQRES 11 A 249 THR PHE GLU GLU TYR THR ILE MET LYS VAL LEU LEU LEU SEQRES 12 A 249 LEU SER THR ILE PRO LYS ASP GLY LEU LYS SER GLN ALA SEQRES 13 A 249 ALA PHE GLU GLU MET ARG THR ASN TYR ILE LYS GLU LEU SEQRES 14 A 249 ARG LYS MET VAL THR LYS CYS PRO ASN ASN SER GLY GLN SEQRES 15 A 249 SER TRP GLN ARG PHE TYR GLN LEU THR LYS LEU LEU ASP SEQRES 16 A 249 SER MET HIS ASP LEU VAL SER ASP LEU LEU GLU PHE CYS SEQRES 17 A 249 PHE TYR THR PHE ARG GLU SER HIS ALA LEU LYS VAL GLU SEQRES 18 A 249 PHE PRO ALA MET LEU VAL GLU ILE ILE SER ASP GLN LEU SEQRES 19 A 249 PRO LYS VAL GLU SER GLY ASN VAL LYS PRO LEU TYR PHE SEQRES 20 A 249 HIS ARG HET HFN A 474 48 ATOM 1 N THR A 735 -2.429 21.958 3.840 1.00 43.42 N ATOM 2 CA THR A 735 -1.847 21.389 5.100 1.00 33.81 C ATOM 3 C THR A 735 -1.404 22.488 6.068 1.00 35.01 C ATOM 4 O THR A 735 -0.478 23.250 5.750 1.00 33.45 O ATOM 5 CB THR A 735 -0.624 20.504 4.801 1.00 29.46 C ATOM 6 OG1 THR A 735 -0.974 19.509 3.835 1.00 37.48 O ATOM 7 CG2 THR A 735 -0.131 19.826 6.069 1.00 37.04 C ATOM 8 HG1 THR A 735 -0.185 18.942 3.646 1.00 0.00 H ATOM 9 HN3 THR A 735 -1.715 22.545 3.364 1.00 0.00 H ATOM 10 HN2 THR A 735 -3.258 22.541 4.075 1.00 0.00 H ATOM 11 HN1 THR A 735 -2.717 21.181 3.211 1.00 0.00 H ATOM 12 N PRO A 736 -2.036 22.560 7.264 1.00 30.98 N ATOM 13 CA PRO A 736 -1.661 23.620 8.194 1.00 26.59 C ATOM 14 C PRO A 736 -0.231 23.498 8.697 1.00 24.67 C ATOM 15 O PRO A 736 0.250 22.396 8.978 1.00 33.22 O ATOM 16 CB PRO A 736 -2.644 23.442 9.357 1.00 29.59 C ATOM 17 CG PRO A 736 -3.062 22.019 9.285 1.00 38.23 C ATOM 18 CD PRO A 736 -3.130 21.729 7.805 1.00 36.39 C ATOM 19 N SER A 737 0.428 24.643 8.816 1.00 22.94 N ATOM 20 CA SER A 737 1.733 24.713 9.454 1.00 22.46 C ATOM 21 C SER A 737 1.622 24.449 10.959 1.00 19.52 C ATOM 22 O SER A 737 0.528 24.608 11.551 1.00 20.26 O ATOM 23 CB SER A 737 2.306 26.107 9.250 1.00 22.96 C ATOM 24 OG SER A 737 1.570 27.040 10.016 1.00 24.05 O ATOM 25 HG SER A 737 1.946 27.946 9.881 1.00 0.00 H ATOM 26 H SER A 737 -0.000 25.514 8.443 1.00 0.00 H ATOM 27 N PRO A 738 2.741 24.063 11.618 1.00 20.83 N ATOM 28 CA PRO A 738 2.703 23.991 13.087 1.00 21.28 C ATOM 29 C PRO A 738 2.154 25.257 13.764 1.00 18.47 C ATOM 30 O PRO A 738 1.356 25.173 14.681 1.00 17.09 O ATOM 31 CB PRO A 738 4.155 23.689 13.459 1.00 25.78 C ATOM 32 CG PRO A 738 4.673 22.891 12.290 1.00 24.62 C ATOM 33 CD PRO A 738 3.971 23.450 11.066 1.00 22.43 C ATOM 34 N VAL A 739 2.549 26.431 13.305 1.00 18.21 N ATOM 35 CA VAL A 739 2.051 27.672 13.877 1.00 18.89 C ATOM 36 C VAL A 739 0.518 27.830 13.743 1.00 17.13 C ATOM 37 O VAL A 739 -0.168 28.252 14.684 1.00 16.80 O ATOM 38 CB VAL A 739 2.835 28.871 13.316 1.00 20.10 C ATOM 39 CG1 VAL A 739 2.150 30.174 13.680 1.00 22.21 C ATOM 40 CG2 VAL A 739 4.263 28.849 13.839 1.00 24.69 C ATOM 41 H VAL A 739 3.229 26.469 12.519 1.00 0.00 H ATOM 42 N MET A 740 -0.030 27.444 12.598 1.00 17.12 N ATOM 43 CA MET A 740 -1.480 27.473 12.421 1.00 17.79 C ATOM 44 C MET A 740 -2.158 26.499 13.403 1.00 15.28 C ATOM 45 O MET A 740 -3.196 26.817 13.998 1.00 16.09 O ATOM 46 CB MET A 740 -1.839 27.123 10.990 1.00 20.00 C ATOM 47 CG MET A 740 -1.519 28.226 9.993 1.00 23.33 C ATOM 48 SD MET A 740 -1.545 27.628 8.304 1.00 28.26 S ATOM 49 CE MET A 740 -3.289 27.283 8.103 1.00 43.24 C ATOM 50 H MET A 740 0.578 27.118 11.820 1.00 0.00 H ATOM 51 N VAL A 741 -1.578 25.315 13.568 1.00 14.88 N ATOM 52 CA VAL A 741 -2.135 24.372 14.521 1.00 15.47 C ATOM 53 C VAL A 741 -2.079 24.969 15.931 1.00 13.75 C ATOM 54 O VAL A 741 -3.051 24.866 16.674 1.00 14.04 O ATOM 55 CB VAL A 741 -1.429 23.007 14.445 1.00 17.26 C ATOM 56 CG1 VAL A 741 -1.928 22.089 15.548 1.00 17.64 C ATOM 57 CG2 VAL A 741 -1.683 22.387 13.079 1.00 19.45 C ATOM 58 H VAL A 741 -0.731 25.066 13.018 1.00 0.00 H ATOM 59 N LEU A 742 -0.946 25.582 16.304 1.00 13.67 N ATOM 60 CA LEU A 742 -0.829 26.179 17.642 1.00 12.87 C ATOM 61 C LEU A 742 -1.934 27.189 17.905 1.00 12.48 C ATOM 62 O LEU A 742 -2.453 27.260 19.023 1.00 13.63 O ATOM 63 CB LEU A 742 0.542 26.805 17.860 1.00 13.44 C ATOM 64 CG LEU A 742 1.750 25.882 17.875 1.00 14.63 C ATOM 65 CD1 LEU A 742 3.016 26.690 18.083 1.00 15.84 C ATOM 66 CD2 LEU A 742 1.627 24.845 18.975 1.00 19.24 C ATOM 67 H LEU A 742 -0.145 25.635 15.642 1.00 0.00 H ATOM 68 N GLU A 743 -2.301 27.985 16.889 1.00 13.47 N ATOM 69 CA GLU A 743 -3.379 28.918 17.086 1.00 15.67 C ATOM 70 C GLU A 743 -4.687 28.170 17.329 1.00 14.45 C ATOM 71 O GLU A 743 -5.471 28.543 18.212 1.00 16.81 O ATOM 72 CB GLU A 743 -3.519 29.834 15.876 1.00 16.47 C ATOM 73 CG GLU A 743 -4.682 30.808 16.029 1.00 20.53 C ATOM 74 CD GLU A 743 -4.808 31.796 14.889 1.00 39.55 C ATOM 75 OE1 GLU A 743 -3.778 32.189 14.318 1.00 38.08 O ATOM 76 OE2 GLU A 743 -5.950 32.188 14.570 1.00147.69 O ATOM 77 H GLU A 743 -1.813 27.929 15.972 1.00 0.00 H ATOM 78 N ASN A 744 -4.933 27.126 16.535 1.00 14.46 N ATOM 79 CA ASN A 744 -6.170 26.376 16.643 1.00 15.58 C ATOM 80 C ASN A 744 -6.347 25.680 17.985 1.00 15.23 C ATOM 81 O ASN A 744 -7.476 25.586 18.488 1.00 18.18 O ATOM 82 CB ASN A 744 -6.269 25.355 15.503 1.00 17.85 C ATOM 83 CG ASN A 744 -7.588 24.621 15.500 1.00 22.89 C ATOM 84 OD1 ASN A 744 -8.625 25.203 15.180 1.00 36.83 O ATOM 85 ND2 ASN A 744 -7.562 23.342 15.860 1.00 31.31 N ATOM 86 HD22 ASN A 744 -6.661 22.894 16.122 1.00 0.00 H ATOM 87 HD21 ASN A 744 -8.443 22.789 15.880 1.00 0.00 H ATOM 88 H ASN A 744 -4.225 26.845 15.826 1.00 0.00 H ATOM 89 N ILE A 745 -5.242 25.214 18.567 1.00 13.15 N ATOM 90 CA ILE A 745 -5.329 24.430 19.789 1.00 14.09 C ATOM 91 C ILE A 745 -5.139 25.258 21.063 1.00 12.93 C ATOM 92 O ILE A 745 -5.237 24.743 22.168 1.00 13.30 O ATOM 93 CB ILE A 745 -4.374 23.220 19.778 1.00 13.58 C ATOM 94 CG1 ILE A 745 -2.898 23.666 19.800 1.00 13.29 C ATOM 95 CG2 ILE A 745 -4.700 22.314 18.594 1.00 15.16 C ATOM 96 CD1 ILE A 745 -1.926 22.530 20.084 1.00 13.93 C ATOM 97 H ILE A 745 -4.312 25.412 18.145 1.00 0.00 H ATOM 98 N GLU A 746 -4.843 26.551 20.924 1.00 13.04 N ATOM 99 CA GLU A 746 -4.599 27.382 22.100 1.00 13.80 C ATOM 100 C GLU A 746 -5.825 27.345 23.012 1.00 14.10 C ATOM 101 O GLU A 746 -6.938 27.578 22.548 1.00 16.15 O ATOM 102 CB GLU A 746 -4.318 28.807 21.667 1.00 14.69 C ATOM 103 CG GLU A 746 -4.117 29.803 22.811 1.00 14.95 C ATOM 104 CD GLU A 746 -2.857 29.596 23.646 1.00 15.84 C ATOM 105 OE1 GLU A 746 -2.735 30.283 24.688 1.00 17.28 O ATOM 106 OE2 GLU A 746 -1.986 28.783 23.283 1.00 16.48 O ATOM 107 H GLU A 746 -4.786 26.970 19.974 1.00 0.00 H ATOM 108 N PRO A 747 -5.666 27.054 24.316 1.00 13.94 N ATOM 109 CA PRO A 747 -6.841 26.964 25.180 1.00 15.58 C ATOM 110 C PRO A 747 -7.589 28.284 25.277 1.00 15.14 C ATOM 111 O PRO A 747 -6.977 29.361 25.378 1.00 17.00 O ATOM 112 CB PRO A 747 -6.243 26.591 26.530 1.00 16.50 C ATOM 113 CG PRO A 747 -5.009 25.812 26.167 1.00 16.18 C ATOM 114 CD PRO A 747 -4.454 26.568 24.991 1.00 15.01 C ATOM 115 N GLU A 748 -8.917 28.200 25.276 1.00 15.72 N ATOM 116 CA GLU A 748 -9.745 29.377 25.503 1.00 16.10 C ATOM 117 C GLU A 748 -9.560 29.932 26.918 1.00 14.74 C ATOM 118 O GLU A 748 -9.271 29.208 27.857 1.00 15.14 O ATOM 119 CB GLU A 748 -11.209 29.012 25.288 1.00 19.12 C ATOM 120 CG GLU A 748 -11.803 28.044 26.318 1.00 27.86 C ATOM 121 CD GLU A 748 -13.138 27.450 25.882 1.00 42.20 C ATOM 122 OE1 GLU A 748 -13.968 28.181 25.287 1.00 50.97 O ATOM 123 OE2 GLU A 748 -13.370 26.247 26.143 1.00 51.02 O ATOM 124 H GLU A 748 -9.371 27.279 25.110 1.00 0.00 H ATOM 125 N ILE A 749 -9.758 31.233 27.069 1.00 16.24 N ATOM 126 CA ILE A 749 -9.740 31.865 28.394 1.00 16.43 C ATOM 127 C ILE A 749 -10.902 31.316 29.226 1.00 14.99 C ATOM 128 O ILE A 749 -12.006 31.154 28.722 1.00 18.97 O ATOM 129 CB ILE A 749 -9.743 33.402 28.242 1.00 19.37 C ATOM 130 CG1 ILE A 749 -8.389 33.877 27.672 1.00 21.16 C ATOM 131 CG2 ILE A 749 -9.983 34.082 29.573 1.00 20.50 C ATOM 132 CD1 ILE A 749 -8.307 35.358 27.356 1.00 25.25 C ATOM 133 H ILE A 749 -9.930 31.821 26.229 1.00 0.00 H ATOM 134 N VAL A 750 -10.632 31.013 30.483 1.00 14.54 N ATOM 135 CA VAL A 750 -11.635 30.538 31.427 1.00 15.35 C ATOM 136 C VAL A 750 -11.812 31.514 32.588 1.00 14.58 C ATOM 137 O VAL A 750 -10.942 32.338 32.882 1.00 15.16 O ATOM 138 CB VAL A 750 -11.299 29.119 31.953 1.00 14.99 C ATOM 139 CG1 VAL A 750 -11.296 28.118 30.798 1.00 17.03 C ATOM 140 CG2 VAL A 750 -10.002 29.094 32.755 1.00 16.94 C ATOM 141 H VAL A 750 -9.653 31.119 30.816 1.00 0.00 H ATOM 142 N TYR A 751 -12.957 31.399 33.247 1.00 15.38 N ATOM 143 CA TYR A 751 -13.244 32.149 34.456 1.00 15.31 C ATOM 144 C TYR A 751 -12.659 31.457 35.673 1.00 15.49 C ATOM 145 O TYR A 751 -12.525 30.232 35.717 1.00 16.97 O ATOM 146 CB TYR A 751 -14.762 32.285 34.616 1.00 19.49 C ATOM 147 CG TYR A 751 -15.369 33.311 33.684 1.00 21.33 C ATOM 148 CD1 TYR A 751 -15.516 33.046 32.323 1.00 31.09 C ATOM 149 CD2 TYR A 751 -15.714 34.562 34.152 1.00 26.86 C ATOM 150 CE1 TYR A 751 -16.048 33.987 31.469 1.00 35.52 C ATOM 151 CE2 TYR A 751 -16.257 35.513 33.305 1.00 30.42 C ATOM 152 CZ TYR A 751 -16.408 35.221 31.970 1.00 37.47 C ATOM 153 OH TYR A 751 -16.944 36.171 31.136 1.00 46.80 O ATOM 154 HH TYR A 751 -16.987 35.813 30.214 1.00 0.00 H ATOM 155 H TYR A 751 -13.679 30.745 32.883 1.00 0.00 H ATOM 156 N ALA A 752 -12.304 32.260 36.669 1.00 15.66 N ATOM 157 CA ALA A 752 -11.769 31.731 37.926 1.00 16.10 C ATOM 158 C ALA A 752 -12.818 31.269 38.908 1.00 16.05 C ATOM 159 O ALA A 752 -12.485 30.596 39.890 1.00 17.73 O ATOM 160 CB ALA A 752 -10.887 32.768 38.595 1.00 16.94 C ATOM 161 H ALA A 752 -12.408 33.288 36.554 1.00 0.00 H ATOM 162 N GLY A 753 -14.078 31.667 38.693 1.00 17.96 N ATOM 163 CA GLY A 753 -15.087 31.477 39.736 1.00 20.31 C ATOM 164 C GLY A 753 -14.850 32.346 40.966 1.00 18.80 C ATOM 165 O GLY A 753 -15.145 31.933 42.090 1.00 23.76 O ATOM 166 H GLY A 753 -14.339 32.109 37.789 1.00 0.00 H ATOM 167 N TYR A 754 -14.328 33.551 40.758 1.00 18.76 N ATOM 168 CA TYR A 754 -14.152 34.497 41.853 1.00 19.00 C ATOM 169 C TYR A 754 -15.501 34.835 42.476 1.00 19.19 C ATOM 170 O TYR A 754 -16.455 35.175 41.782 1.00 23.26 O ATOM 171 CB TYR A 754 -13.460 35.764 41.337 1.00 21.23 C ATOM 172 CG TYR A 754 -13.295 36.849 42.388 1.00 21.39 C ATOM 173 CD1 TYR A 754 -12.372 36.708 43.419 1.00 21.00 C ATOM 174 CD2 TYR A 754 -14.076 38.002 42.360 1.00 24.52 C ATOM 175 CE1 TYR A 754 -12.202 37.695 44.390 1.00 22.41 C ATOM 176 CE2 TYR A 754 -13.922 38.991 43.321 1.00 29.29 C ATOM 177 CZ TYR A 754 -12.980 38.831 44.332 1.00 22.95 C ATOM 178 OH TYR A 754 -12.808 39.795 45.303 1.00 26.35 O ATOM 179 HH TYR A 754 -12.099 39.507 45.931 1.00 0.00 H ATOM 180 H TYR A 754 -14.040 33.824 39.797 1.00 0.00 H ATOM 181 N ASP A 755 -15.566 34.724 43.797 1.00 19.30 N ATOM 182 CA ASP A 755 -16.788 34.952 44.547 1.00 23.18 C ATOM 183 C ASP A 755 -16.692 36.274 45.294 1.00 23.98 C ATOM 184 O ASP A 755 -16.015 36.374 46.315 1.00 24.87 O ATOM 185 CB ASP A 755 -16.983 33.810 45.534 1.00 23.33 C ATOM 186 CG ASP A 755 -18.319 33.875 46.250 1.00 24.74 C ATOM 187 OD1 ASP A 755 -18.986 34.929 46.225 1.00 25.87 O ATOM 188 OD2 ASP A 755 -18.706 32.858 46.848 1.00 28.27 O ATOM 189 H ASP A 755 -14.704 34.462 44.317 1.00 0.00 H ATOM 190 N SER A 756 -17.396 37.277 44.779 1.00 29.18 N ATOM 191 CA SER A 756 -17.463 38.612 45.388 1.00 34.29 C ATOM 192 C SER A 756 -18.122 38.670 46.779 1.00 35.82 C ATOM 193 O SER A 756 -18.015 39.687 47.473 1.00 43.46 O ATOM 194 CB SER A 756 -18.175 39.593 44.442 1.00 35.53 C ATOM 195 OG SER A 756 -19.503 39.173 44.186 1.00 49.80 O ATOM 196 HG SER A 756 -19.940 39.819 43.576 1.00 0.00 H ATOM 197 H SER A 756 -17.926 37.108 43.900 1.00 0.00 H ATOM 198 N SER A 757 -18.795 37.587 47.179 1.00 30.71 N ATOM 199 CA SER A 757 -19.485 37.536 48.473 1.00 33.22 C ATOM 200 C SER A 757 -18.548 37.098 49.601 1.00 33.65 C ATOM 201 O SER A 757 -18.936 37.096 50.777 1.00 36.26 O ATOM 202 CB SER A 757 -20.722 36.625 48.400 1.00 39.96 C ATOM 203 OG SER A 757 -20.395 35.247 48.552 1.00 32.91 O ATOM 204 HG SER A 757 -19.773 34.975 47.831 1.00 0.00 H ATOM 205 H SER A 757 -18.831 36.756 46.555 1.00 0.00 H ATOM 206 N LYS A 758 -17.319 36.728 49.243 1.00 27.11 N ATOM 207 CA LYS A 758 -16.322 36.350 50.227 1.00 24.56 C ATOM 208 C LYS A 758 -15.250 37.442 50.310 1.00 23.40 C ATOM 209 O LYS A 758 -14.916 38.057 49.298 1.00 26.08 O ATOM 210 CB LYS A 758 -15.674 34.997 49.882 1.00 28.04 C ATOM 211 CG LYS A 758 -16.615 33.804 49.809 1.00 31.01 C ATOM 212 CD LYS A 758 -15.829 32.504 49.877 1.00 45.44 C ATOM 213 CE LYS A 758 -16.680 31.370 50.427 1.00 59.72 C ATOM 214 NZ LYS A 758 -15.924 30.087 50.498 1.00 66.80 N ATOM 215 HZ1 LYS A 758 -15.605 29.821 49.545 1.00 0.00 H ATOM 216 HZ2 LYS A 758 -15.099 30.206 51.120 1.00 0.00 H ATOM 217 HZ3 LYS A 758 -16.542 29.342 50.878 1.00 0.00 H ATOM 218 H LYS A 758 -17.068 36.710 48.234 1.00 0.00 H ATOM 219 N PRO A 759 -14.681 37.668 51.513 1.00 25.50 N ATOM 220 CA PRO A 759 -13.604 38.653 51.669 1.00 26.62 C ATOM 221 C PRO A 759 -12.313 38.263 50.945 1.00 20.78 C ATOM 222 O PRO A 759 -12.015 37.072 50.781 1.00 22.47 O ATOM 223 CB PRO A 759 -13.378 38.697 53.187 1.00 30.49 C ATOM 224 CG PRO A 759 -13.827 37.361 53.669 1.00 27.76 C ATOM 225 CD PRO A 759 -14.973 36.963 52.777 1.00 26.98 C ATOM 226 N ASP A 760 -11.552 39.276 50.554 1.00 23.06 N ATOM 227 CA ASP A 760 -10.287 39.099 49.848 1.00 20.96 C ATOM 228 C ASP A 760 -9.157 38.849 50.827 1.00 20.09 C ATOM 229 O ASP A 760 -8.144 39.566 50.839 1.00 21.33 O ATOM 230 CB ASP A 760 -9.989 40.307 48.956 1.00 22.26 C ATOM 231 CG ASP A 760 -10.944 40.402 47.778 1.00 21.60 C ATOM 232 OD1 ASP A 760 -11.198 39.378 47.095 1.00 22.84 O ATOM 233 OD2 ASP A 760 -11.475 41.505 47.526 1.00 24.50 O ATOM 234 H ASP A 760 -11.872 40.244 50.760 1.00 0.00 H ATOM 235 N THR A 761 -9.334 37.818 51.642 1.00 18.91 N ATOM 236 CA THR A 761 -8.262 37.308 52.476 1.00 18.54 C ATOM 237 C THR A 761 -7.250 36.596 51.581 1.00 16.79 C ATOM 238 O THR A 761 -7.571 36.152 50.459 1.00 16.87 O ATOM 239 CB THR A 761 -8.792 36.299 53.506 1.00 19.31 C ATOM 240 OG1 THR A 761 -9.365 35.185 52.804 1.00 19.55 O ATOM 241 CG2 THR A 761 -9.842 36.960 54.426 1.00 24.04 C ATOM 242 HG1 THR A 761 -9.711 34.527 53.458 1.00 0.00 H ATOM 243 H THR A 761 -10.268 37.362 51.685 1.00 0.00 H ATOM 244 N ALA A 762 -6.027 36.448 52.067 1.00 17.04 N ATOM 245 CA ALA A 762 -5.035 35.700 51.314 1.00 16.53 C ATOM 246 C ALA A 762 -5.516 34.266 51.079 1.00 15.41 C ATOM 247 O ALA A 762 -5.308 33.709 50.011 1.00 15.83 O ATOM 248 CB ALA A 762 -3.696 35.707 52.027 1.00 18.15 C ATOM 249 H ALA A 762 -5.777 36.866 52.986 1.00 0.00 H ATOM 250 N GLU A 763 -6.149 33.671 52.080 1.00 15.91 N ATOM 251 CA GLU A 763 -6.571 32.281 51.961 1.00 16.80 C ATOM 252 C GLU A 763 -7.608 32.120 50.853 1.00 14.90 C ATOM 253 O GLU A 763 -7.546 31.173 50.065 1.00 15.16 O ATOM 254 CB GLU A 763 -7.109 31.775 53.306 1.00 19.48 C ATOM 255 CG GLU A 763 -6.067 31.752 54.430 1.00 23.40 C ATOM 256 CD GLU A 763 -5.769 33.103 55.084 1.00 23.46 C ATOM 257 OE1 GLU A 763 -6.489 34.098 54.861 1.00 22.73 O ATOM 258 OE2 GLU A 763 -4.799 33.157 55.869 1.00 30.83 O ATOM 259 H GLU A 763 -6.346 34.198 52.955 1.00 0.00 H ATOM 260 N ASN A 764 -8.559 33.044 50.776 1.00 15.13 N ATOM 261 CA ASN A 764 -9.575 32.990 49.737 1.00 15.66 C ATOM 262 C ASN A 764 -8.975 33.262 48.357 1.00 13.95 C ATOM 263 O ASN A 764 -9.304 32.594 47.384 1.00 14.77 O ATOM 264 CB ASN A 764 -10.737 33.945 50.026 1.00 17.35 C ATOM 265 CG ASN A 764 -11.633 33.451 51.143 1.00 18.86 C ATOM 266 OD1 ASN A 764 -11.654 32.255 51.467 1.00 21.36 O ATOM 267 ND2 ASN A 764 -12.418 34.359 51.710 1.00 20.12 N ATOM 268 HD22 ASN A 764 -12.367 35.353 51.407 1.00 0.00 H ATOM 269 HD21 ASN A 764 -13.084 34.077 52.457 1.00 0.00 H ATOM 270 H ASN A 764 -8.577 33.818 51.470 1.00 0.00 H ATOM 271 N LEU A 765 -8.111 34.269 48.264 1.00 14.75 N ATOM 272 CA LEU A 765 -7.493 34.580 46.981 1.00 13.54 C ATOM 273 C LEU A 765 -6.603 33.441 46.477 1.00 12.80 C ATOM 274 O LEU A 765 -6.688 33.055 45.307 1.00 13.63 O ATOM 275 CB LEU A 765 -6.726 35.906 47.046 1.00 14.35 C ATOM 276 CG LEU A 765 -7.548 37.205 47.104 1.00 15.11 C ATOM 277 CD1 LEU A 765 -6.663 38.377 47.512 1.00 17.11 C ATOM 278 CD2 LEU A 765 -8.250 37.452 45.783 1.00 17.94 C ATOM 279 H LEU A 765 -7.877 34.834 49.105 1.00 0.00 H ATOM 280 N LEU A 766 -5.769 32.880 47.349 1.00 13.38 N ATOM 281 CA LEU A 766 -4.900 31.788 46.942 1.00 12.61 C ATOM 282 C LEU A 766 -5.705 30.558 46.566 1.00 12.08 C ATOM 283 O LEU A 766 -5.386 29.887 45.587 1.00 12.19 O ATOM 284 CB LEU A 766 -3.867 31.490 48.023 1.00 13.72 C ATOM 285 CG LEU A 766 -2.848 32.621 48.266 1.00 13.77 C ATOM 286 CD1 LEU A 766 -1.911 32.238 49.391 1.00 16.77 C ATOM 287 CD2 LEU A 766 -2.037 32.939 47.031 1.00 15.30 C ATOM 288 H LEU A 766 -5.739 33.226 48.329 1.00 0.00 H ATOM 289 N SER A 767 -6.744 30.245 47.340 1.00 12.35 N ATOM 290 CA SER A 767 -7.565 29.088 46.988 1.00 12.68 C ATOM 291 C SER A 767 -8.213 29.263 45.606 1.00 12.36 C ATOM 292 O SER A 767 -8.319 28.312 44.837 1.00 12.35 O ATOM 293 CB SER A 767 -8.635 28.851 48.047 1.00 13.02 C ATOM 294 OG SER A 767 -8.062 28.551 49.311 1.00 13.53 O ATOM 295 HG SER A 767 -7.495 29.308 49.603 1.00 0.00 H ATOM 296 H SER A 767 -6.967 30.815 48.181 1.00 0.00 H ATOM 297 N THR A 768 -8.656 30.489 45.310 1.00 12.58 N ATOM 298 CA THR A 768 -9.239 30.803 44.002 1.00 12.90 C ATOM 299 C THR A 768 -8.205 30.630 42.874 1.00 12.08 C ATOM 300 O THR A 768 -8.480 30.017 41.850 1.00 12.34 O ATOM 301 CB THR A 768 -9.831 32.239 43.990 1.00 14.36 C ATOM 302 OG1 THR A 768 -10.798 32.365 45.026 1.00 15.32 O ATOM 303 CG2 THR A 768 -10.525 32.541 42.671 1.00 15.98 C ATOM 304 HG1 THR A 768 -10.367 32.193 45.901 1.00 0.00 H ATOM 305 H THR A 768 -8.585 31.240 46.026 1.00 0.00 H ATOM 306 N LEU A 769 -7.001 31.155 43.086 1.00 12.22 N ATOM 307 CA LEU A 769 -5.934 30.986 42.113 1.00 11.78 C ATOM 308 C LEU A 769 -5.621 29.519 41.900 1.00 10.58 C ATOM 309 O LEU A 769 -5.361 29.107 40.764 1.00 11.03 O ATOM 310 CB LEU A 769 -4.672 31.750 42.547 1.00 13.63 C ATOM 311 CG LEU A 769 -4.731 33.279 42.485 1.00 14.27 C ATOM 312 CD1 LEU A 769 -3.463 33.857 43.078 1.00 17.50 C ATOM 313 CD2 LEU A 769 -4.933 33.766 41.060 1.00 18.18 C ATOM 314 H LEU A 769 -6.821 31.693 43.958 1.00 0.00 H ATOM 315 N ASN A 770 -5.625 28.727 42.978 1.00 11.01 N ATOM 316 CA ASN A 770 -5.290 27.326 42.840 1.00 10.62 C ATOM 317 C ASN A 770 -6.351 26.586 42.036 1.00 10.09 C ATOM 318 O ASN A 770 -6.041 25.715 41.219 1.00 10.58 O ATOM 319 CB ASN A 770 -5.075 26.692 44.213 1.00 10.78 C ATOM 320 CG ASN A 770 -3.837 27.226 44.915 1.00 11.56 C ATOM 321 OD1 ASN A 770 -2.946 27.769 44.265 1.00 13.14 O ATOM 322 ND2 ASN A 770 -3.792 27.079 46.236 1.00 12.60 N ATOM 323 HD22 ASN A 770 -4.576 26.611 46.734 1.00 0.00 H ATOM 324 HD21 ASN A 770 -2.973 27.432 46.771 1.00 0.00 H ATOM 325 H ASN A 770 -5.868 29.116 43.911 1.00 0.00 H ATOM 326 N ARG A 771 -7.628 26.908 42.268 1.00 11.11 N ATOM 327 CA ARG A 771 -8.709 26.326 41.442 1.00 11.42 C ATOM 328 C ARG A 771 -8.576 26.732 39.985 1.00 10.26 C ATOM 329 O ARG A 771 -8.733 25.885 39.089 1.00 11.36 O ATOM 330 CB ARG A 771 -10.094 26.678 41.979 1.00 12.80 C ATOM 331 CG ARG A 771 -10.445 25.949 43.266 1.00 13.99 C ATOM 332 CD ARG A 771 -11.941 26.000 43.563 1.00 17.21 C ATOM 333 NE ARG A 771 -12.412 27.350 43.844 1.00 18.60 N ATOM 334 CZ ARG A 771 -12.321 27.952 45.026 1.00 23.27 C ATOM 335 NH1 ARG A 771 -11.776 27.356 46.101 1.00 23.64 N ATOM 336 NH2 ARG A 771 -12.785 29.185 45.143 1.00 34.88 N ATOM 337 HE ARG A 771 -12.851 27.880 43.064 1.00 0.00 H ATOM 338 HH12 ARG A 771 -11.725 27.864 47.007 1.00 0.00 H ATOM 339 HH11 ARG A 771 -11.405 26.387 46.026 1.00 0.00 H ATOM 340 HH22 ARG A 771 -12.726 29.678 46.057 1.00 0.00 H ATOM 341 HH21 ARG A 771 -13.209 29.661 44.321 1.00 0.00 H ATOM 342 H ARG A 771 -7.863 27.572 43.034 1.00 0.00 H ATOM 343 N LEU A 772 -8.280 28.006 39.736 1.00 10.93 N ATOM 344 CA LEU A 772 -8.080 28.466 38.367 1.00 10.85 C ATOM 345 C LEU A 772 -6.937 27.696 37.694 1.00 10.00 C ATOM 346 O LEU A 772 -7.074 27.247 36.540 1.00 10.57 O ATOM 347 CB LEU A 772 -7.789 29.951 38.374 1.00 11.96 C ATOM 348 CG LEU A 772 -7.448 30.559 37.011 1.00 11.63 C ATOM 349 CD1 LEU A 772 -8.548 30.421 35.965 1.00 13.46 C ATOM 350 CD2 LEU A 772 -7.034 32.001 37.175 1.00 14.34 C ATOM 351 H LEU A 772 -8.191 28.678 40.524 1.00 0.00 H ATOM 352 N ALA A 773 -5.826 27.520 38.408 1.00 10.15 N ATOM 353 CA ALA A 773 -4.720 26.756 37.872 1.00 9.76 C ATOM 354 C ALA A 773 -5.131 25.311 37.609 1.00 9.75 C ATOM 355 O ALA A 773 -4.702 24.714 36.613 1.00 10.24 O ATOM 356 CB ALA A 773 -3.545 26.798 38.827 1.00 10.92 C ATOM 357 H ALA A 773 -5.753 27.935 39.359 1.00 0.00 H ATOM 358 N GLY A 774 -5.957 24.733 38.479 1.00 10.04 N ATOM 359 CA GLY A 774 -6.421 23.367 38.207 1.00 10.99 C ATOM 360 C GLY A 774 -7.225 23.276 36.924 1.00 10.66 C ATOM 361 O GLY A 774 -7.023 22.371 36.104 1.00 11.29 O ATOM 362 H GLY A 774 -6.267 25.239 39.333 1.00 0.00 H ATOM 363 N LYS A 775 -8.131 24.223 36.720 1.00 10.62 N ATOM 364 CA LYS A 775 -8.944 24.270 35.498 1.00 11.30 C ATOM 365 C LYS A 775 -8.057 24.421 34.263 1.00 11.33 C ATOM 366 O LYS A 775 -8.231 23.744 33.248 1.00 12.14 O ATOM 367 CB LYS A 775 -9.941 25.420 35.582 1.00 12.55 C ATOM 368 CG LYS A 775 -10.935 25.451 34.437 1.00 13.17 C ATOM 369 CD LYS A 775 -11.986 26.542 34.639 1.00 14.87 C ATOM 370 CE LYS A 775 -13.096 26.518 33.590 1.00 16.69 C ATOM 371 NZ LYS A 775 -13.801 25.213 33.422 1.00 18.02 N ATOM 372 HZ1 LYS A 775 -13.116 24.484 33.138 1.00 0.00 H ATOM 373 HZ2 LYS A 775 -14.245 24.942 34.323 1.00 0.00 H ATOM 374 HZ3 LYS A 775 -14.532 25.307 32.688 1.00 0.00 H ATOM 375 H LYS A 775 -8.270 24.954 37.447 1.00 0.00 H ATOM 376 N GLN A 776 -7.077 25.314 34.359 1.00 10.54 N ATOM 377 CA GLN A 776 -6.176 25.568 33.259 1.00 10.50 C ATOM 378 C GLN A 776 -5.255 24.378 32.995 1.00 10.45 C ATOM 379 O GLN A 776 -4.926 24.116 31.835 1.00 11.25 O ATOM 380 CB GLN A 776 -5.405 26.857 33.502 1.00 10.85 C ATOM 381 CG GLN A 776 -6.317 28.065 33.422 1.00 11.57 C ATOM 382 CD GLN A 776 -5.627 29.382 33.563 1.00 12.91 C ATOM 383 OE1 GLN A 776 -4.648 29.518 34.278 1.00 14.72 O ATOM 384 NE2 GLN A 776 -6.133 30.377 32.848 1.00 18.62 N ATOM 385 HE22 GLN A 776 -6.970 30.216 32.252 1.00 0.00 H ATOM 386 HE21 GLN A 776 -5.693 31.319 32.883 1.00 0.00 H ATOM 387 H GLN A 776 -6.956 25.842 35.247 1.00 0.00 H ATOM 388 N MET A 777 -4.847 23.641 34.029 1.00 10.21 N ATOM 389 CA MET A 777 -4.008 22.471 33.801 1.00 10.26 C ATOM 390 C MET A 777 -4.754 21.332 33.110 1.00 10.74 C ATOM 391 O MET A 777 -4.155 20.601 32.322 1.00 10.69 O ATOM 392 CB MET A 777 -3.352 21.980 35.075 1.00 10.92 C ATOM 393 CG MET A 777 -2.202 22.861 35.543 1.00 11.22 C ATOM 394 SD MET A 777 -0.978 23.201 34.269 1.00 11.00 S ATOM 395 CE MET A 777 -0.469 21.544 33.777 1.00 12.08 C ATOM 396 H MET A 777 -5.127 23.901 34.996 1.00 0.00 H ATOM 397 N ILE A 778 -6.051 21.184 33.372 1.00 11.33 N ATOM 398 CA ILE A 778 -6.836 20.221 32.600 1.00 12.70 C ATOM 399 C ILE A 778 -6.784 20.637 31.125 1.00 11.98 C ATOM 400 O ILE A 778 -6.635 19.796 30.230 1.00 13.56 O ATOM 401 CB ILE A 778 -8.254 20.147 33.165 1.00 14.73 C ATOM 402 CG1 ILE A 778 -8.235 19.636 34.608 1.00 16.74 C ATOM 403 CG2 ILE A 778 -9.131 19.266 32.294 1.00 16.85 C ATOM 404 CD1 ILE A 778 -9.527 19.923 35.347 1.00 19.90 C ATOM 405 H ILE A 778 -6.502 21.749 34.120 1.00 0.00 H ATOM 406 N GLN A 779 -6.937 21.940 30.856 1.00 11.51 N ATOM 407 CA GLN A 779 -6.785 22.425 29.470 1.00 11.77 C ATOM 408 C GLN A 779 -5.404 22.141 28.894 1.00 11.39 C ATOM 409 O GLN A 779 -5.285 21.798 27.715 1.00 12.62 O ATOM 410 CB GLN A 779 -7.045 23.914 29.362 1.00 12.43 C ATOM 411 CG GLN A 779 -8.430 24.379 29.774 1.00 12.57 C ATOM 412 CD GLN A 779 -8.527 25.879 29.597 1.00 12.51 C ATOM 413 OE1 GLN A 779 -7.925 26.642 30.340 1.00 14.94 O ATOM 414 NE2 GLN A 779 -9.251 26.319 28.558 1.00 13.85 N ATOM 415 HE22 GLN A 779 -9.750 25.641 27.947 1.00 0.00 H ATOM 416 HE21 GLN A 779 -9.314 27.339 28.363 1.00 0.00 H ATOM 417 H GLN A 779 -7.162 22.608 31.621 1.00 0.00 H ATOM 418 N VAL A 780 -4.352 22.326 29.683 1.00 11.06 N ATOM 419 CA VAL A 780 -2.996 22.063 29.225 1.00 11.08 C ATOM 420 C VAL A 780 -2.845 20.614 28.799 1.00 11.29 C ATOM 421 O VAL A 780 -2.215 20.330 27.782 1.00 11.68 O ATOM 422 CB VAL A 780 -1.963 22.452 30.290 1.00 11.35 C ATOM 423 CG1 VAL A 780 -0.599 21.858 29.969 1.00 12.68 C ATOM 424 CG2 VAL A 780 -1.898 23.968 30.461 1.00 12.72 C ATOM 425 H VAL A 780 -4.501 22.668 30.654 1.00 0.00 H ATOM 426 N VAL A 781 -3.420 19.684 29.561 1.00 11.87 N ATOM 427 CA VAL A 781 -3.298 18.281 29.191 1.00 13.35 C ATOM 428 C VAL A 781 -3.982 18.022 27.841 1.00 13.36 C ATOM 429 O VAL A 781 -3.441 17.317 26.988 1.00 14.76 O ATOM 430 CB VAL A 781 -3.857 17.386 30.308 1.00 14.90 C ATOM 431 CG1 VAL A 781 -3.996 15.940 29.822 1.00 18.96 C ATOM 432 CG2 VAL A 781 -2.949 17.456 31.538 1.00 15.77 C ATOM 433 H VAL A 781 -3.951 19.958 30.412 1.00 0.00 H ATOM 434 N LYS A 782 -5.168 18.601 27.631 1.00 13.38 N ATOM 435 CA LYS A 782 -5.861 18.439 26.346 1.00 13.64 C ATOM 436 C LYS A 782 -5.070 19.074 25.202 1.00 12.66 C ATOM 437 O LYS A 782 -5.000 18.509 24.116 1.00 14.65 O ATOM 438 CB LYS A 782 -7.265 19.013 26.446 1.00 16.70 C ATOM 439 CG LYS A 782 -8.159 18.139 27.327 1.00 20.01 C ATOM 440 CD LYS A 782 -9.554 18.706 27.503 1.00 31.82 C ATOM 441 CE LYS A 782 -10.411 18.499 26.268 1.00 46.67 C ATOM 442 NZ LYS A 782 -10.704 17.056 26.068 1.00 42.88 N ATOM 443 HZ1 LYS A 782 -9.811 16.535 25.950 1.00 0.00 H ATOM 444 HZ2 LYS A 782 -11.214 16.689 26.897 1.00 0.00 H ATOM 445 HZ3 LYS A 782 -11.291 16.937 25.218 1.00 0.00 H ATOM 446 H LYS A 782 -5.604 19.171 28.384 1.00 0.00 H ATOM 447 N TRP A 783 -4.471 20.242 25.444 1.00 12.10 N ATOM 448 CA TRP A 783 -3.627 20.924 24.461 1.00 11.68 C ATOM 449 C TRP A 783 -2.419 20.080 24.089 1.00 11.64 C ATOM 450 O TRP A 783 -2.065 19.919 22.911 1.00 12.15 O ATOM 451 CB TRP A 783 -3.232 22.270 25.068 1.00 11.75 C ATOM 452 CG TRP A 783 -2.110 23.041 24.424 1.00 11.42 C ATOM 453 CD1 TRP A 783 -2.207 23.915 23.387 1.00 11.83 C ATOM 454 CD2 TRP A 783 -0.742 23.088 24.846 1.00 11.09 C ATOM 455 NE1 TRP A 783 -0.987 24.490 23.103 1.00 11.84 N ATOM 456 CE2 TRP A 783 -0.068 23.987 23.991 1.00 11.32 C ATOM 457 CE3 TRP A 783 -0.009 22.454 25.882 1.00 12.27 C ATOM 458 CZ2 TRP A 783 1.300 24.270 24.145 1.00 12.26 C ATOM 459 CZ3 TRP A 783 1.333 22.751 26.028 1.00 13.17 C ATOM 460 CH2 TRP A 783 1.970 23.648 25.180 1.00 12.83 C ATOM 461 HE1 TRP A 783 -0.796 25.182 22.350 1.00 0.00 H ATOM 462 H TRP A 783 -4.610 20.688 26.373 1.00 0.00 H ATOM 463 N ALA A 784 -1.788 19.502 25.101 1.00 12.36 N ATOM 464 CA ALA A 784 -0.588 18.708 24.881 1.00 13.30 C ATOM 465 C ALA A 784 -0.894 17.470 24.030 1.00 13.06 C ATOM 466 O ALA A 784 -0.046 17.070 23.235 1.00 14.77 O ATOM 467 CB ALA A 784 -0.018 18.298 26.215 1.00 15.96 C ATOM 468 H ALA A 784 -2.156 19.617 26.067 1.00 0.00 H ATOM 469 N LYS A 785 -2.104 16.911 24.129 1.00 15.61 N ATOM 470 CA LYS A 785 -2.498 15.753 23.314 1.00 17.30 C ATOM 471 C LYS A 785 -2.391 16.055 21.811 1.00 17.34 C ATOM 472 O LYS A 785 -2.014 15.192 21.023 1.00 21.28 O ATOM 473 CB LYS A 785 -3.916 15.298 23.681 1.00 20.48 C ATOM 474 CG LYS A 785 -4.040 14.675 25.057 1.00 24.74 C ATOM 475 CD LYS A 785 -3.347 13.331 25.171 1.00 32.91 C ATOM 476 CE LYS A 785 -3.500 12.736 26.567 1.00 34.05 C ATOM 477 NZ LYS A 785 -2.666 11.509 26.745 1.00 39.00 N ATOM 478 HZ1 LYS A 785 -2.956 10.791 26.051 1.00 0.00 H ATOM 479 HZ2 LYS A 785 -1.664 11.748 26.601 1.00 0.00 H ATOM 480 HZ3 LYS A 785 -2.800 11.137 27.707 1.00 0.00 H ATOM 481 H LYS A 785 -2.788 17.308 24.804 1.00 0.00 H ATOM 482 N VAL A 786 -2.701 17.289 21.432 1.00 14.24 N ATOM 483 CA VAL A 786 -2.764 17.682 20.016 1.00 14.68 C ATOM 484 C VAL A 786 -1.642 18.653 19.599 1.00 13.07 C ATOM 485 O VAL A 786 -1.664 19.231 18.513 1.00 15.28 O ATOM 486 CB VAL A 786 -4.151 18.226 19.653 1.00 16.18 C ATOM 487 CG1 VAL A 786 -5.184 17.096 19.660 1.00 20.68 C ATOM 488 CG2 VAL A 786 -4.566 19.332 20.600 1.00 15.81 C ATOM 489 H VAL A 786 -2.906 18.002 22.161 1.00 0.00 H ATOM 490 N LEU A 787 -0.633 18.804 20.441 1.00 12.70 N ATOM 491 CA LEU A 787 0.476 19.660 20.161 1.00 12.38 C ATOM 492 C LEU A 787 1.412 18.993 19.145 1.00 11.87 C ATOM 493 O LEU A 787 1.888 17.892 19.390 1.00 12.79 O ATOM 494 CB LEU A 787 1.186 19.883 21.498 1.00 13.38 C ATOM 495 CG LEU A 787 2.461 20.685 21.433 1.00 14.73 C ATOM 496 CD1 LEU A 787 2.213 22.089 20.935 1.00 16.86 C ATOM 497 CD2 LEU A 787 3.083 20.714 22.832 1.00 15.17 C ATOM 498 H LEU A 787 -0.648 18.281 21.340 1.00 0.00 H ATOM 499 N PRO A 788 1.679 19.636 17.980 1.00 12.50 N ATOM 500 CA PRO A 788 2.490 18.979 16.950 1.00 13.19 C ATOM 501 C PRO A 788 3.818 18.475 17.517 1.00 12.26 C ATOM 502 O PRO A 788 4.565 19.213 18.170 1.00 13.22 O ATOM 503 CB PRO A 788 2.667 20.080 15.883 1.00 14.91 C ATOM 504 CG PRO A 788 1.381 20.845 15.973 1.00 15.02 C ATOM 505 CD PRO A 788 1.112 20.908 17.477 1.00 14.97 C ATOM 506 N GLY A 789 4.098 17.198 17.271 1.00 13.20 N ATOM 507 CA GLY A 789 5.331 16.556 17.681 1.00 14.01 C ATOM 508 C GLY A 789 5.269 15.873 19.055 1.00 12.56 C ATOM 509 O GLY A 789 6.056 14.973 19.321 1.00 13.61 O ATOM 510 H GLY A 789 3.395 16.630 16.757 1.00 0.00 H ATOM 511 N PHE A 790 4.369 16.312 19.941 1.00 11.57 N ATOM 512 CA PHE A 790 4.466 15.862 21.323 1.00 11.89 C ATOM 513 C PHE A 790 4.133 14.377 21.467 1.00 13.00 C ATOM 514 O PHE A 790 4.734 13.679 22.292 1.00 12.84 O ATOM 515 CB PHE A 790 3.597 16.721 22.236 1.00 12.75 C ATOM 516 CG PHE A 790 4.002 16.716 23.700 1.00 11.45 C ATOM 517 CD1 PHE A 790 5.317 16.939 24.108 1.00 12.44 C ATOM 518 CD2 PHE A 790 3.037 16.606 24.694 1.00 12.98 C ATOM 519 CE1 PHE A 790 5.656 16.989 25.463 1.00 12.38 C ATOM 520 CE2 PHE A 790 3.393 16.670 26.046 1.00 13.44 C ATOM 521 CZ PHE A 790 4.690 16.879 26.424 1.00 13.22 C ATOM 522 H PHE A 790 3.613 16.963 19.649 1.00 0.00 H ATOM 523 N LYS A 791 3.210 13.887 20.636 1.00 14.28 N ATOM 524 CA LYS A 791 2.796 12.487 20.743 1.00 15.99 C ATOM 525 C LYS A 791 3.911 11.528 20.319 1.00 16.87 C ATOM 526 O LYS A 791 3.825 10.318 20.551 1.00 20.95 O ATOM 527 CB LYS A 791 1.528 12.237 19.938 1.00 16.96 C ATOM 528 CG LYS A 791 1.729 12.427 18.455 1.00 18.84 C ATOM 529 CD LYS A 791 0.456 12.106 17.698 1.00 21.58 C ATOM 530 CE LYS A 791 0.732 12.291 16.233 1.00 23.99 C ATOM 531 NZ LYS A 791 -0.513 11.996 15.505 1.00 41.21 N ATOM 532 HZ1 LYS A 791 -0.803 11.016 15.699 1.00 0.00 H ATOM 533 HZ2 LYS A 791 -1.260 12.648 15.819 1.00 0.00 H ATOM 534 HZ3 LYS A 791 -0.353 12.116 14.484 1.00 0.00 H ATOM 535 H LYS A 791 2.785 14.501 19.912 1.00 0.00 H ATOM 536 N ASN A 792 4.966 12.057 19.716 1.00 16.28 N ATOM 537 CA ASN A 792 6.096 11.233 19.332 1.00 18.01 C ATOM 538 C ASN A 792 7.108 10.992 20.467 1.00 16.73 C ATOM 539 O ASN A 792 8.014 10.178 20.350 1.00 19.66 O ATOM 540 CB ASN A 792 6.646 11.760 18.026 1.00 24.99 C ATOM 541 CG ASN A 792 5.652 11.509 16.853 1.00 32.85 C ATOM 542 OD1 ASN A 792 5.027 10.453 16.810 1.00 45.25 O ATOM 543 ND2 ASN A 792 5.441 12.490 15.970 1.00 28.31 N ATOM 544 HD22 ASN A 792 5.987 13.373 16.033 1.00 0.00 H ATOM 545 HD21 ASN A 792 4.731 12.370 15.220 1.00 0.00 H ATOM 546 H ASN A 792 4.984 13.077 19.515 1.00 0.00 H ATOM 547 N LEU A 793 6.915 11.674 21.579 1.00 13.58 N ATOM 548 CA LEU A 793 7.685 11.367 22.779 1.00 12.73 C ATOM 549 C LEU A 793 6.982 10.249 23.530 1.00 12.34 C ATOM 550 O LEU A 793 5.759 10.166 23.524 1.00 13.31 O ATOM 551 CB LEU A 793 7.801 12.578 23.719 1.00 12.13 C ATOM 552 CG LEU A 793 8.206 13.938 23.161 1.00 18.96 C ATOM 553 CD1 LEU A 793 8.624 14.834 24.310 1.00 17.54 C ATOM 554 CD2 LEU A 793 9.333 13.828 22.166 1.00 21.95 C ATOM 555 H LEU A 793 6.208 12.437 21.600 1.00 0.00 H ATOM 556 N PRO A 794 7.744 9.409 24.248 1.00 12.21 N ATOM 557 CA PRO A 794 7.090 8.423 25.109 1.00 12.79 C ATOM 558 C PRO A 794 6.062 9.081 26.033 1.00 12.90 C ATOM 559 O PRO A 794 6.289 10.189 26.547 1.00 12.14 O ATOM 560 CB PRO A 794 8.258 7.872 25.942 1.00 14.53 C ATOM 561 CG PRO A 794 9.435 7.995 25.016 1.00 13.85 C ATOM 562 CD PRO A 794 9.217 9.314 24.312 1.00 13.14 C ATOM 563 N LEU A 795 4.959 8.392 26.304 1.00 13.25 N ATOM 564 CA LEU A 795 3.913 8.943 27.166 1.00 13.55 C ATOM 565 C LEU A 795 4.489 9.372 28.526 1.00 12.13 C ATOM 566 O LEU A 795 4.127 10.432 29.054 1.00 12.55 O ATOM 567 CB LEU A 795 2.804 7.906 27.374 1.00 16.26 C ATOM 568 CG LEU A 795 1.637 8.387 28.235 1.00 18.25 C ATOM 569 CD1 LEU A 795 0.964 9.643 27.687 1.00 21.33 C ATOM 570 CD2 LEU A 795 0.626 7.253 28.413 1.00 23.59 C ATOM 571 H LEU A 795 4.837 7.443 25.896 1.00 0.00 H ATOM 572 N GLU A 796 5.357 8.547 29.117 1.00 12.51 N ATOM 573 CA GLU A 796 5.917 8.903 30.415 1.00 12.68 C ATOM 574 C GLU A 796 6.672 10.233 30.337 1.00 10.65 C ATOM 575 O GLU A 796 6.659 11.011 31.295 1.00 11.49 O ATOM 576 CB GLU A 796 6.825 7.801 30.975 1.00 14.62 C ATOM 577 CG GLU A 796 8.105 7.536 30.176 1.00 17.21 C ATOM 578 CD GLU A 796 8.780 6.244 30.596 1.00 20.49 C ATOM 579 OE1 GLU A 796 9.504 6.241 31.599 1.00 25.20 O ATOM 580 OE2 GLU A 796 8.568 5.214 29.921 1.00 28.89 O ATOM 581 H GLU A 796 5.632 7.657 28.655 1.00 0.00 H ATOM 582 N ASP A 797 7.340 10.503 29.213 1.00 11.14 N ATOM 583 CA ASP A 797 8.050 11.774 29.031 1.00 10.81 C ATOM 584 C ASP A 797 7.092 12.932 28.832 1.00 10.08 C ATOM 585 O ASP A 797 7.351 14.032 29.302 1.00 10.35 O ATOM 586 CB ASP A 797 9.010 11.682 27.853 1.00 10.96 C ATOM 587 CG ASP A 797 10.209 10.784 28.102 1.00 11.62 C ATOM 588 OD1 ASP A 797 10.480 10.423 29.281 1.00 12.20 O ATOM 589 OD2 ASP A 797 10.919 10.508 27.104 1.00 11.86 O ATOM 590 H ASP A 797 7.357 9.797 28.450 1.00 0.00 H ATOM 591 N GLN A 798 5.986 12.694 28.134 1.00 10.68 N ATOM 592 CA GLN A 798 4.981 13.749 27.984 1.00 11.12 C ATOM 593 C GLN A 798 4.470 14.183 29.367 1.00 11.05 C ATOM 594 O GLN A 798 4.358 15.377 29.664 1.00 11.03 O ATOM 595 CB GLN A 798 3.806 13.231 27.146 1.00 12.47 C ATOM 596 CG GLN A 798 4.178 12.999 25.690 1.00 13.62 C ATOM 597 CD GLN A 798 3.009 12.387 24.958 1.00 14.34 C ATOM 598 OE1 GLN A 798 1.892 12.906 25.053 1.00 19.17 O ATOM 599 NE2 GLN A 798 3.232 11.268 24.260 1.00 14.32 N ATOM 600 HE22 GLN A 798 4.191 10.869 24.210 1.00 0.00 H ATOM 601 HE21 GLN A 798 2.446 10.797 23.768 1.00 0.00 H ATOM 602 H GLN A 798 5.835 11.763 27.696 1.00 0.00 H ATOM 603 N ILE A 799 4.140 13.206 30.202 1.00 11.12 N ATOM 604 CA ILE A 799 3.662 13.482 31.546 1.00 11.90 C ATOM 605 C ILE A 799 4.741 14.200 32.369 1.00 10.20 C ATOM 606 O ILE A 799 4.457 15.197 33.036 1.00 10.40 O ATOM 607 CB ILE A 799 3.193 12.169 32.225 1.00 13.07 C ATOM 608 CG1 ILE A 799 1.961 11.608 31.476 1.00 14.88 C ATOM 609 CG2 ILE A 799 2.916 12.388 33.721 1.00 15.72 C ATOM 610 CD1 ILE A 799 1.604 10.195 31.877 1.00 20.39 C ATOM 611 H ILE A 799 4.226 12.219 29.887 1.00 0.00 H ATOM 612 N THR A 800 5.967 13.696 32.332 1.00 10.36 N ATOM 613 CA THR A 800 7.066 14.324 33.043 1.00 9.95 C ATOM 614 C THR A 800 7.204 15.784 32.638 1.00 9.28 C ATOM 615 O THR A 800 7.342 16.667 33.490 1.00 9.93 O ATOM 616 CB THR A 800 8.361 13.569 32.739 1.00 10.91 C ATOM 617 OG1 THR A 800 8.301 12.297 33.371 1.00 11.57 O ATOM 618 CG2 THR A 800 9.618 14.332 33.208 1.00 12.71 C ATOM 619 HG1 THR A 800 9.134 11.796 33.182 1.00 0.00 H ATOM 620 H THR A 800 6.145 12.832 31.782 1.00 0.00 H ATOM 621 N LEU A 801 7.195 16.061 31.329 1.00 9.96 N ATOM 622 CA LEU A 801 7.451 17.423 30.863 1.00 9.66 C ATOM 623 C LEU A 801 6.346 18.375 31.303 1.00 9.47 C ATOM 624 O LEU A 801 6.621 19.508 31.683 1.00 9.95 O ATOM 625 CB LEU A 801 7.696 17.458 29.364 1.00 9.58 C ATOM 626 CG LEU A 801 9.035 16.797 28.966 1.00 10.17 C ATOM 627 CD1 LEU A 801 9.023 16.409 27.499 1.00 11.25 C ATOM 628 CD2 LEU A 801 10.199 17.710 29.303 1.00 11.86 C ATOM 629 H LEU A 801 7.005 15.305 30.641 1.00 0.00 H ATOM 630 N ILE A 802 5.089 17.925 31.251 1.00 9.80 N ATOM 631 CA ILE A 802 4.008 18.768 31.769 1.00 9.71 C ATOM 632 C ILE A 802 4.230 19.059 33.258 1.00 9.61 C ATOM 633 O ILE A 802 4.080 20.188 33.719 1.00 10.41 O ATOM 634 CB ILE A 802 2.638 18.118 31.523 1.00 10.63 C ATOM 635 CG1 ILE A 802 2.341 18.046 30.001 1.00 11.26 C ATOM 636 CG2 ILE A 802 1.555 18.926 32.238 1.00 12.56 C ATOM 637 CD1 ILE A 802 1.171 17.156 29.653 1.00 13.52 C ATOM 638 H ILE A 802 4.881 16.989 30.848 1.00 0.00 H ATOM 639 N GLN A 803 4.587 18.036 34.025 1.00 9.38 N ATOM 640 CA GLN A 803 4.792 18.219 35.456 1.00 10.15 C ATOM 641 C GLN A 803 5.999 19.085 35.798 1.00 9.73 C ATOM 642 O GLN A 803 6.008 19.751 36.823 1.00 12.26 O ATOM 643 CB GLN A 803 4.879 16.842 36.138 1.00 11.16 C ATOM 644 CG GLN A 803 3.535 16.097 36.095 1.00 14.84 C ATOM 645 CD GLN A 803 3.519 14.759 36.818 1.00 15.56 C ATOM 646 OE1 GLN A 803 4.577 14.194 37.122 1.00 18.03 O ATOM 647 NE2 GLN A 803 2.325 14.263 37.125 1.00 17.07 N ATOM 648 HE22 GLN A 803 1.463 14.774 36.848 1.00 0.00 H ATOM 649 HE21 GLN A 803 2.253 13.364 37.642 1.00 0.00 H ATOM 650 H GLN A 803 4.722 17.096 33.601 1.00 0.00 H ATOM 651 N TYR A 804 7.011 19.066 34.937 1.00 9.58 N ATOM 652 CA TYR A 804 8.211 19.871 35.143 1.00 10.01 C ATOM 653 C TYR A 804 8.033 21.318 34.676 1.00 10.33 C ATOM 654 O TYR A 804 8.890 22.142 35.007 1.00 12.68 O ATOM 655 CB TYR A 804 9.418 19.238 34.425 1.00 10.71 C ATOM 656 CG TYR A 804 10.157 18.183 35.251 1.00 10.45 C ATOM 657 CD1 TYR A 804 9.527 17.034 35.694 1.00 12.98 C ATOM 658 CD2 TYR A 804 11.468 18.351 35.582 1.00 12.56 C ATOM 659 CE1 TYR A 804 10.213 16.105 36.467 1.00 13.61 C ATOM 660 CE2 TYR A 804 12.162 17.428 36.360 1.00 12.67 C ATOM 661 CZ TYR A 804 11.539 16.318 36.806 1.00 11.08 C ATOM 662 OH TYR A 804 12.197 15.386 37.576 1.00 12.37 O ATOM 663 HH TYR A 804 12.519 15.815 38.408 1.00 0.00 H ATOM 664 H TYR A 804 6.946 18.461 34.093 1.00 0.00 H ATOM 665 N SER A 805 6.983 21.612 33.903 1.00 9.24 N ATOM 666 CA SER A 805 6.830 22.946 33.313 1.00 9.31 C ATOM 667 C SER A 805 5.509 23.630 33.640 1.00 8.75 C ATOM 668 O SER A 805 5.308 24.754 33.199 1.00 9.54 O ATOM 669 CB SER A 805 6.983 22.882 31.793 1.00 10.79 C ATOM 670 OG SER A 805 5.895 22.158 31.206 1.00 10.79 O ATOM 671 HG SER A 805 5.881 21.236 31.566 1.00 0.00 H ATOM 672 H SER A 805 6.264 20.884 33.717 1.00 0.00 H ATOM 673 N TRP A 806 4.608 22.982 34.386 1.00 9.07 N ATOM 674 CA TRP A 806 3.253 23.482 34.517 1.00 9.33 C ATOM 675 C TRP A 806 3.198 24.939 34.950 1.00 8.88 C ATOM 676 O TRP A 806 2.426 25.725 34.400 1.00 9.32 O ATOM 677 CB TRP A 806 2.426 22.579 35.452 1.00 10.29 C ATOM 678 CG TRP A 806 2.823 22.612 36.898 1.00 10.00 C ATOM 679 CD1 TRP A 806 3.891 22.009 37.480 1.00 12.67 C ATOM 680 CD2 TRP A 806 2.142 23.312 37.932 1.00 10.25 C ATOM 681 NE1 TRP A 806 3.922 22.301 38.823 1.00 14.38 N ATOM 682 CE2 TRP A 806 2.849 23.100 39.132 1.00 11.43 C ATOM 683 CE3 TRP A 806 0.995 24.100 37.950 1.00 14.04 C ATOM 684 CZ2 TRP A 806 2.424 23.643 40.344 1.00 12.86 C ATOM 685 CZ3 TRP A 806 0.598 24.644 39.138 1.00 16.15 C ATOM 686 CH2 TRP A 806 1.302 24.420 40.312 1.00 13.96 C ATOM 687 HE1 TRP A 806 4.642 21.970 39.496 1.00 0.00 H ATOM 688 H TRP A 806 4.883 22.108 34.879 1.00 0.00 H ATOM 689 N MET A 807 3.971 25.329 35.971 1.00 8.69 N ATOM 690 CA MET A 807 3.893 26.677 36.485 1.00 8.95 C ATOM 691 C MET A 807 4.419 27.665 35.439 1.00 8.88 C ATOM 692 O MET A 807 3.927 28.778 35.330 1.00 9.75 O ATOM 693 CB MET A 807 4.666 26.770 37.797 1.00 9.76 C ATOM 694 CG MET A 807 4.663 28.158 38.431 1.00 10.09 C ATOM 695 SD MET A 807 3.065 28.719 39.067 1.00 10.59 S ATOM 696 CE MET A 807 2.998 27.729 40.588 1.00 11.60 C ATOM 697 H MET A 807 4.636 24.654 36.399 1.00 0.00 H ATOM 698 N SER A 808 5.420 27.261 34.658 1.00 8.92 N ATOM 699 CA SER A 808 5.922 28.114 33.612 1.00 9.04 C ATOM 700 C SER A 808 4.871 28.328 32.515 1.00 9.05 C ATOM 701 O SER A 808 4.670 29.451 32.049 1.00 9.85 O ATOM 702 CB SER A 808 7.208 27.516 33.061 1.00 8.56 C ATOM 703 OG SER A 808 7.841 28.459 32.272 1.00 8.64 O ATOM 704 HG SER A 808 8.679 28.076 31.910 1.00 0.00 H ATOM 705 H SER A 808 5.842 26.322 34.805 1.00 0.00 H ATOM 706 N LEU A 809 4.186 27.260 32.104 1.00 9.04 N ATOM 707 CA LEU A 809 3.142 27.380 31.096 1.00 9.37 C ATOM 708 C LEU A 809 2.043 28.314 31.572 1.00 9.36 C ATOM 709 O LEU A 809 1.612 29.213 30.835 1.00 10.59 O ATOM 710 CB LEU A 809 2.542 25.999 30.788 1.00 9.99 C ATOM 711 CG LEU A 809 3.517 24.960 30.215 1.00 10.72 C ATOM 712 CD1 LEU A 809 2.865 23.587 30.129 1.00 12.65 C ATOM 713 CD2 LEU A 809 4.108 25.390 28.871 1.00 14.05 C ATOM 714 H LEU A 809 4.401 26.327 32.510 1.00 0.00 H ATOM 715 N LEU A 810 1.561 28.098 32.791 1.00 9.12 N ATOM 716 CA LEU A 810 0.468 28.911 33.289 1.00 9.85 C ATOM 717 C LEU A 810 0.887 30.362 33.454 1.00 9.43 C ATOM 718 O LEU A 810 0.100 31.276 33.198 1.00 10.42 O ATOM 719 CB LEU A 810 -0.065 28.375 34.621 1.00 10.39 C ATOM 720 CG LEU A 810 -0.653 26.965 34.626 1.00 10.92 C ATOM 721 CD1 LEU A 810 -1.044 26.629 36.063 1.00 15.07 C ATOM 722 CD2 LEU A 810 -1.825 26.873 33.650 1.00 15.18 C ATOM 723 H LEU A 810 1.966 27.348 33.387 1.00 0.00 H ATOM 724 N SER A 811 2.117 30.586 33.912 1.00 9.39 N ATOM 725 CA SER A 811 2.601 31.943 34.136 1.00 9.48 C ATOM 726 C SER A 811 2.802 32.689 32.812 1.00 9.13 C ATOM 727 O SER A 811 2.513 33.877 32.710 1.00 10.14 O ATOM 728 CB SER A 811 3.860 31.911 34.959 1.00 10.03 C ATOM 729 OG SER A 811 3.621 31.392 36.254 1.00 10.56 O ATOM 730 HG SER A 811 3.272 30.469 36.179 1.00 0.00 H ATOM 731 H SER A 811 2.743 29.780 34.113 1.00 0.00 H ATOM 732 N PHE A 812 3.312 31.986 31.801 1.00 9.55 N ATOM 733 CA PHE A 812 3.513 32.617 30.513 1.00 10.05 C ATOM 734 C PHE A 812 2.164 33.000 29.889 1.00 9.84 C ATOM 735 O PHE A 812 2.021 34.100 29.327 1.00 10.80 O ATOM 736 CB PHE A 812 4.305 31.683 29.610 1.00 10.43 C ATOM 737 CG PHE A 812 4.992 32.369 28.451 1.00 10.04 C ATOM 738 CD1 PHE A 812 6.048 33.242 28.660 1.00 10.79 C ATOM 739 CD2 PHE A 812 4.625 32.049 27.131 1.00 11.14 C ATOM 740 CE1 PHE A 812 6.705 33.811 27.565 1.00 11.89 C ATOM 741 CE2 PHE A 812 5.274 32.597 26.060 1.00 12.09 C ATOM 742 CZ PHE A 812 6.304 33.483 26.277 1.00 11.92 C ATOM 743 H PHE A 812 3.565 30.986 31.937 1.00 0.00 H ATOM 744 N ALA A 813 1.160 32.136 30.025 1.00 10.41 N ATOM 745 CA ALA A 813 -0.189 32.465 29.555 1.00 10.53 C ATOM 746 C ALA A 813 -0.780 33.646 30.325 1.00 10.49 C ATOM 747 O ALA A 813 -1.463 34.486 29.731 1.00 11.19 O ATOM 748 CB ALA A 813 -1.070 31.234 29.613 1.00 11.31 C ATOM 749 H ALA A 813 1.336 31.213 30.472 1.00 0.00 H ATOM 750 N LEU A 814 -0.524 33.721 31.634 1.00 10.47 N ATOM 751 CA LEU A 814 -0.963 34.849 32.449 1.00 10.80 C ATOM 752 C LEU A 814 -0.360 36.150 31.928 1.00 10.86 C ATOM 753 O LEU A 814 -1.057 37.168 31.794 1.00 11.55 O ATOM 754 CB LEU A 814 -0.598 34.600 33.904 1.00 10.84 C ATOM 755 CG LEU A 814 -0.746 35.765 34.852 1.00 10.99 C ATOM 756 CD1 LEU A 814 -2.197 36.264 34.928 1.00 13.67 C ATOM 757 CD2 LEU A 814 -0.249 35.353 36.231 1.00 12.42 C ATOM 758 H LEU A 814 0.006 32.950 32.087 1.00 0.00 H ATOM 759 N SER A 815 0.932 36.120 31.629 1.00 11.01 N ATOM 760 CA SER A 815 1.581 37.305 31.083 1.00 12.29 C ATOM 761 C SER A 815 0.940 37.717 29.744 1.00 11.18 C ATOM 762 O SER A 815 0.700 38.895 29.507 1.00 11.98 O ATOM 763 CB SER A 815 3.057 37.006 30.870 1.00 13.30 C ATOM 764 OG SER A 815 3.750 38.124 30.416 1.00 16.47 O ATOM 765 HG SER A 815 4.704 37.891 30.290 1.00 0.00 H ATOM 766 H SER A 815 1.482 35.251 31.784 1.00 0.00 H ATOM 767 N TRP A 816 0.689 36.737 28.874 1.00 11.46 N ATOM 768 CA TRP A 816 0.047 37.040 27.602 1.00 11.90 C ATOM 769 C TRP A 816 -1.318 37.683 27.800 1.00 11.76 C ATOM 770 O TRP A 816 -1.622 38.701 27.164 1.00 12.51 O ATOM 771 CB TRP A 816 -0.057 35.772 26.723 1.00 12.63 C ATOM 772 CG TRP A 816 -0.748 36.083 25.438 1.00 12.45 C ATOM 773 CD1 TRP A 816 -2.055 35.841 25.121 1.00 14.40 C ATOM 774 CD2 TRP A 816 -0.194 36.798 24.315 1.00 12.65 C ATOM 775 NE1 TRP A 816 -2.334 36.342 23.875 1.00 14.98 N ATOM 776 CE2 TRP A 816 -1.222 36.966 23.376 1.00 13.37 C ATOM 777 CE3 TRP A 816 1.069 37.326 24.030 1.00 13.01 C ATOM 778 CZ2 TRP A 816 -1.017 37.613 22.148 1.00 15.15 C ATOM 779 CZ3 TRP A 816 1.279 37.959 22.826 1.00 14.14 C ATOM 780 CH2 TRP A 816 0.240 38.118 21.904 1.00 15.10 C ATOM 781 HE1 TRP A 816 -3.248 36.261 23.385 1.00 0.00 H ATOM 782 H TRP A 816 0.952 35.757 29.104 1.00 0.00 H ATOM 783 N ARG A 817 -2.148 37.097 28.657 1.00 11.82 N ATOM 784 CA ARG A 817 -3.484 37.673 28.859 1.00 13.03 C ATOM 785 C ARG A 817 -3.365 39.091 29.401 1.00 12.18 C ATOM 786 O ARG A 817 -4.155 39.978 29.045 1.00 13.49 O ATOM 787 CB ARG A 817 -4.308 36.852 29.859 1.00 14.38 C ATOM 788 CG ARG A 817 -4.789 35.512 29.342 1.00 15.21 C ATOM 789 CD ARG A 817 -5.782 34.870 30.305 1.00 15.20 C ATOM 790 NE ARG A 817 -5.287 34.629 31.667 1.00 14.53 N ATOM 791 CZ ARG A 817 -4.549 33.588 32.024 1.00 12.89 C ATOM 792 NH1 ARG A 817 -4.153 32.672 31.113 1.00 13.14 N ATOM 793 NH2 ARG A 817 -4.246 33.403 33.304 1.00 13.77 N ATOM 794 HE ARG A 817 -5.533 35.323 32.401 1.00 0.00 H ATOM 795 HH12 ARG A 817 -3.574 31.861 31.409 1.00 0.00 H ATOM 796 HH11 ARG A 817 -4.427 32.778 30.115 1.00 0.00 H ATOM 797 HH22 ARG A 817 -3.667 32.587 33.589 1.00 0.00 H ATOM 798 HH21 ARG A 817 -4.588 34.074 34.021 1.00 0.00 H ATOM 799 H ARG A 817 -1.856 36.244 29.176 1.00 0.00 H ATOM 800 N SER A 818 -2.446 39.303 30.333 1.00 11.83 N ATOM 801 CA SER A 818 -2.245 40.617 30.941 1.00 12.30 C ATOM 802 C SER A 818 -1.847 41.647 29.873 1.00 12.50 C ATOM 803 O SER A 818 -2.373 42.766 29.856 1.00 13.35 O ATOM 804 CB SER A 818 -1.183 40.533 32.030 1.00 12.89 C ATOM 805 OG SER A 818 -1.584 39.611 33.050 1.00 12.32 O ATOM 806 HG SER A 818 -1.709 38.713 32.651 1.00 0.00 H ATOM 807 H SER A 818 -1.849 38.509 30.641 1.00 0.00 H ATOM 808 N TYR A 819 -0.929 41.257 28.992 1.00 12.31 N ATOM 809 CA TYR A 819 -0.470 42.092 27.881 1.00 12.99 C ATOM 810 C TYR A 819 -1.595 42.368 26.891 1.00 13.37 C ATOM 811 O TYR A 819 -1.870 43.512 26.558 1.00 14.85 O ATOM 812 CB TYR A 819 0.684 41.354 27.222 1.00 13.27 C ATOM 813 CG TYR A 819 1.125 41.902 25.889 1.00 13.72 C ATOM 814 CD1 TYR A 819 1.573 43.218 25.747 1.00 15.71 C ATOM 815 CD2 TYR A 819 1.149 41.063 24.778 1.00 15.68 C ATOM 816 CE1 TYR A 819 2.014 43.679 24.509 1.00 19.04 C ATOM 817 CE2 TYR A 819 1.593 41.515 23.557 1.00 19.13 C ATOM 818 CZ TYR A 819 2.033 42.815 23.424 1.00 19.23 C ATOM 819 OH TYR A 819 2.471 43.242 22.183 1.00 28.91 O ATOM 820 HH TYR A 819 1.735 43.156 21.527 1.00 0.00 H ATOM 821 H TYR A 819 -0.516 40.309 29.099 1.00 0.00 H ATOM 822 N LYS A 820 -2.254 41.320 26.434 1.00 13.23 N ATOM 823 CA LYS A 820 -3.283 41.461 25.412 1.00 14.38 C ATOM 824 C LYS A 820 -4.494 42.250 25.905 1.00 14.63 C ATOM 825 O LYS A 820 -5.007 43.130 25.200 1.00 16.68 O ATOM 826 CB LYS A 820 -3.732 40.080 24.907 1.00 16.18 C ATOM 827 CG LYS A 820 -4.865 40.160 23.897 1.00 19.56 C ATOM 828 CD LYS A 820 -5.180 38.820 23.263 1.00 24.21 C ATOM 829 CE LYS A 820 -6.286 38.964 22.235 1.00 33.15 C ATOM 830 NZ LYS A 820 -6.589 37.646 21.617 1.00 50.08 N ATOM 831 HZ1 LYS A 820 -5.735 37.279 21.150 1.00 0.00 H ATOM 832 HZ2 LYS A 820 -6.895 36.980 22.355 1.00 0.00 H ATOM 833 HZ3 LYS A 820 -7.348 37.760 20.915 1.00 0.00 H ATOM 834 H LYS A 820 -2.035 40.376 26.810 1.00 0.00 H ATOM 835 N HIS A 821 -4.973 41.922 27.104 1.00 14.28 N ATOM 836 CA HIS A 821 -6.237 42.461 27.587 1.00 15.57 C ATOM 837 C HIS A 821 -6.131 43.722 28.417 1.00 16.29 C ATOM 838 O HIS A 821 -7.128 44.422 28.560 1.00 19.89 O ATOM 839 CB HIS A 821 -7.041 41.359 28.275 1.00 16.81 C ATOM 840 CG HIS A 821 -7.509 40.331 27.306 1.00 20.45 C ATOM 841 ND1 HIS A 821 -6.915 39.099 27.130 1.00 22.10 N ATOM 842 CD2 HIS A 821 -8.490 40.410 26.380 1.00 23.17 C ATOM 843 CE1 HIS A 821 -7.533 38.454 26.153 1.00 20.73 C ATOM 844 NE2 HIS A 821 -8.500 39.225 25.691 1.00 30.09 N ATOM 845 H HIS A 821 -4.434 41.268 27.707 1.00 0.00 H ATOM 846 N THR A 822 -4.949 44.039 28.934 1.00 15.47 N ATOM 847 CA THR A 822 -4.784 45.246 29.750 1.00 16.30 C ATOM 848 C THR A 822 -3.550 46.068 29.384 1.00 15.86 C ATOM 849 O THR A 822 -3.237 47.041 30.058 1.00 17.52 O ATOM 850 CB THR A 822 -4.769 44.960 31.280 1.00 17.07 C ATOM 851 OG1 THR A 822 -3.472 44.494 31.700 1.00 15.43 O ATOM 852 CG2 THR A 822 -5.853 43.969 31.695 1.00 18.54 C ATOM 853 HG1 THR A 822 -3.250 43.659 31.216 1.00 0.00 H ATOM 854 H THR A 822 -4.130 43.423 28.758 1.00 0.00 H ATOM 855 N ASN A 823 -2.838 45.680 28.325 1.00 15.84 N ATOM 856 CA ASN A 823 -1.553 46.304 27.982 1.00 16.15 C ATOM 857 C ASN A 823 -0.608 46.261 29.177 1.00 15.57 C ATOM 858 O ASN A 823 0.173 47.176 29.422 1.00 16.72 O ATOM 859 CB ASN A 823 -1.712 47.722 27.427 1.00 19.38 C ATOM 860 CG ASN A 823 -0.502 48.155 26.634 1.00 20.78 C ATOM 861 OD1 ASN A 823 0.052 47.368 25.867 1.00 22.28 O ATOM 862 ND2 ASN A 823 -0.070 49.396 26.827 1.00 21.94 N ATOM 863 HD22 ASN A 823 -0.572 50.025 27.486 1.00 0.00 H ATOM 864 HD21 ASN A 823 0.770 49.739 26.319 1.00 0.00 H ATOM 865 H ASN A 823 -3.203 44.913 27.725 1.00 0.00 H ATOM 866 N SER A 824 -0.700 45.164 29.925 1.00 14.60 N ATOM 867 CA SER A 824 0.151 44.920 31.081 1.00 14.47 C ATOM 868 C SER A 824 0.016 45.956 32.200 1.00 15.56 C ATOM 869 O SER A 824 0.913 46.113 32.986 1.00 18.22 O ATOM 870 CB SER A 824 1.594 44.686 30.665 1.00 15.36 C ATOM 871 OG SER A 824 1.619 43.635 29.719 1.00 14.96 O ATOM 872 HG SER A 824 2.553 43.469 29.437 1.00 0.00 H ATOM 873 H SER A 824 -1.412 44.449 29.672 1.00 0.00 H ATOM 874 N GLN A 825 -1.136 46.603 32.287 1.00 15.91 N ATOM 875 CA GLN A 825 -1.456 47.459 33.417 1.00 18.02 C ATOM 876 C GLN A 825 -1.815 46.648 34.655 1.00 16.45 C ATOM 877 O GLN A 825 -1.569 47.107 35.763 1.00 18.12 O ATOM 878 CB GLN A 825 -2.616 48.383 33.063 1.00 19.87 C ATOM 879 CG GLN A 825 -2.322 49.370 31.948 1.00 26.28 C ATOM 880 CD GLN A 825 -3.473 50.342 31.690 1.00 34.39 C ATOM 881 OE1 GLN A 825 -4.394 50.473 32.499 1.00 48.51 O ATOM 882 NE2 GLN A 825 -3.405 51.042 30.568 1.00 40.69 N ATOM 883 HE22 GLN A 825 -2.609 50.899 29.913 1.00 0.00 H ATOM 884 HE21 GLN A 825 -4.147 51.734 30.341 1.00 0.00 H ATOM 885 H GLN A 825 -1.833 46.495 31.523 1.00 0.00 H ATOM 886 N PHE A 826 -2.431 45.482 34.458 1.00 15.30 N ATOM 887 CA PHE A 826 -2.906 44.627 35.539 1.00 15.36 C ATOM 888 C PHE A 826 -2.485 43.191 35.272 1.00 14.51 C ATOM 889 O PHE A 826 -2.054 42.867 34.169 1.00 15.44 O ATOM 890 CB PHE A 826 -4.423 44.684 35.609 1.00 17.35 C ATOM 891 CG PHE A 826 -4.969 46.080 35.813 1.00 18.12 C ATOM 892 CD1 PHE A 826 -4.786 46.728 37.030 1.00 21.68 C ATOM 893 CD2 PHE A 826 -5.625 46.743 34.789 1.00 20.36 C ATOM 894 CE1 PHE A 826 -5.250 48.021 37.225 1.00 23.09 C ATOM 895 CE2 PHE A 826 -6.109 48.034 34.982 1.00 24.44 C ATOM 896 CZ PHE A 826 -5.921 48.665 36.199 1.00 25.03 C ATOM 897 H PHE A 826 -2.581 45.165 33.479 1.00 0.00 H ATOM 898 N LEU A 827 -2.612 42.338 36.283 1.00 13.80 N ATOM 899 CA LEU A 827 -2.463 40.892 36.093 1.00 13.33 C ATOM 900 C LEU A 827 -3.833 40.306 35.809 1.00 12.62 C ATOM 901 O LEU A 827 -4.709 40.273 36.675 1.00 13.69 O ATOM 902 CB LEU A 827 -1.796 40.237 37.298 1.00 14.07 C ATOM 903 CG LEU A 827 -0.319 40.563 37.495 1.00 14.58 C ATOM 904 CD1 LEU A 827 0.178 39.989 38.795 1.00 19.81 C ATOM 905 CD2 LEU A 827 0.511 39.997 36.346 1.00 20.71 C ATOM 906 H LEU A 827 -2.822 42.705 37.233 1.00 0.00 H ATOM 907 N TYR A 828 -4.026 39.870 34.573 1.00 12.33 N ATOM 908 CA TYR A 828 -5.333 39.393 34.110 1.00 12.48 C ATOM 909 C TYR A 828 -5.403 37.882 34.297 1.00 12.52 C ATOM 910 O TYR A 828 -5.176 37.111 33.364 1.00 12.75 O ATOM 911 CB TYR A 828 -5.539 39.806 32.651 1.00 13.12 C ATOM 912 CG TYR A 828 -6.948 39.676 32.109 1.00 14.12 C ATOM 913 CD1 TYR A 828 -7.411 38.471 31.582 1.00 15.75 C ATOM 914 CD2 TYR A 828 -7.807 40.778 32.082 1.00 16.51 C ATOM 915 CE1 TYR A 828 -8.675 38.357 31.014 1.00 17.47 C ATOM 916 CE2 TYR A 828 -9.083 40.667 31.523 1.00 18.49 C ATOM 917 CZ TYR A 828 -9.504 39.455 30.996 1.00 17.93 C ATOM 918 OH TYR A 828 -10.747 39.312 30.430 1.00 21.12 O ATOM 919 HH TYR A 828 -10.833 39.934 29.665 1.00 0.00 H ATOM 920 H TYR A 828 -3.225 39.866 33.910 1.00 0.00 H ATOM 921 N PHE A 829 -5.680 37.459 35.530 1.00 12.42 N ATOM 922 CA PHE A 829 -5.798 36.022 35.796 1.00 12.63 C ATOM 923 C PHE A 829 -6.945 35.410 35.025 1.00 12.30 C ATOM 924 O PHE A 829 -6.812 34.315 34.470 1.00 12.55 O ATOM 925 CB PHE A 829 -5.942 35.748 37.294 1.00 12.65 C ATOM 926 CG PHE A 829 -4.690 36.053 38.073 1.00 12.37 C ATOM 927 CD1 PHE A 829 -3.672 35.089 38.176 1.00 12.16 C ATOM 928 CD2 PHE A 829 -4.490 37.277 38.683 1.00 13.88 C ATOM 929 CE1 PHE A 829 -2.498 35.358 38.874 1.00 12.84 C ATOM 930 CE2 PHE A 829 -3.324 37.542 39.384 1.00 14.26 C ATOM 931 CZ PHE A 829 -2.333 36.584 39.492 1.00 12.99 C ATOM 932 H PHE A 829 -5.812 38.145 36.300 1.00 0.00 H ATOM 933 N ALA A 830 -8.078 36.115 34.996 1.00 13.39 N ATOM 934 CA ALA A 830 -9.279 35.657 34.313 1.00 13.21 C ATOM 935 C ALA A 830 -10.175 36.888 34.173 1.00 13.93 C ATOM 936 O ALA A 830 -9.925 37.896 34.824 1.00 14.67 O ATOM 937 CB ALA A 830 -9.994 34.583 35.135 1.00 13.94 C ATOM 938 H ALA A 830 -8.104 37.033 35.484 1.00 0.00 H ATOM 939 N PRO A 831 -11.229 36.812 33.357 1.00 15.25 N ATOM 940 CA PRO A 831 -12.086 38.006 33.206 1.00 16.33 C ATOM 941 C PRO A 831 -12.703 38.456 34.528 1.00 16.94 C ATOM 942 O PRO A 831 -12.968 39.644 34.701 1.00 19.42 O ATOM 943 CB PRO A 831 -13.137 37.564 32.173 1.00 18.28 C ATOM 944 CG PRO A 831 -12.440 36.452 31.410 1.00 18.07 C ATOM 945 CD PRO A 831 -11.642 35.729 32.450 1.00 16.15 C ATOM 946 N ASP A 832 -12.882 37.512 35.451 1.00 15.84 N ATOM 947 CA ASP A 832 -13.486 37.782 36.751 1.00 16.19 C ATOM 948 C ASP A 832 -12.442 37.914 37.858 1.00 15.62 C ATOM 949 O ASP A 832 -12.798 37.985 39.040 1.00 18.69 O ATOM 950 CB ASP A 832 -14.535 36.709 37.114 1.00 17.29 C ATOM 951 CG ASP A 832 -13.972 35.281 37.163 1.00 16.07 C ATOM 952 OD1 ASP A 832 -12.921 35.018 36.535 1.00 16.02 O ATOM 953 OD2 ASP A 832 -14.601 34.440 37.843 1.00 18.52 O ATOM 954 H ASP A 832 -12.578 36.541 35.235 1.00 0.00 H ATOM 955 N LEU A 833 -11.161 37.963 37.484 1.00 15.19 N ATOM 956 CA LEU A 833 -10.101 38.012 38.494 1.00 15.97 C ATOM 957 C LEU A 833 -8.910 38.785 37.933 1.00 14.98 C ATOM 958 O LEU A 833 -8.013 38.205 37.298 1.00 15.15 O ATOM 959 CB LEU A 833 -9.689 36.603 38.944 1.00 17.03 C ATOM 960 CG LEU A 833 -8.742 36.557 40.154 1.00 17.99 C ATOM 961 CD1 LEU A 833 -9.377 37.166 41.401 1.00 26.77 C ATOM 962 CD2 LEU A 833 -8.296 35.121 40.421 1.00 21.83 C ATOM 963 H LEU A 833 -10.915 37.966 36.473 1.00 0.00 H ATOM 964 N VAL A 834 -8.914 40.088 38.169 1.00 15.46 N ATOM 965 CA VAL A 834 -7.909 40.977 37.640 1.00 14.78 C ATOM 966 C VAL A 834 -7.251 41.687 38.831 1.00 15.26 C ATOM 967 O VAL A 834 -7.933 42.313 39.631 1.00 17.95 O ATOM 968 CB VAL A 834 -8.534 41.991 36.655 1.00 16.30 C ATOM 969 CG1 VAL A 834 -7.470 42.917 36.095 1.00 18.55 C ATOM 970 CG2 VAL A 834 -9.293 41.291 35.534 1.00 18.01 C ATOM 971 H VAL A 834 -9.672 40.486 38.759 1.00 0.00 H ATOM 972 N PHE A 835 -5.938 41.549 38.969 1.00 14.87 N ATOM 973 CA PHE A 835 -5.219 42.104 40.105 1.00 15.19 C ATOM 974 C PHE A 835 -4.612 43.454 39.772 1.00 15.61 C ATOM 975 O PHE A 835 -3.887 43.607 38.772 1.00 16.59 O ATOM 976 CB PHE A 835 -4.055 41.217 40.553 1.00 16.14 C ATOM 977 CG PHE A 835 -4.392 40.070 41.469 1.00 15.17 C ATOM 978 CD1 PHE A 835 -5.639 39.438 41.506 1.00 15.81 C ATOM 979 CD2 PHE A 835 -3.379 39.575 42.273 1.00 15.26 C ATOM 980 CE1 PHE A 835 -5.850 38.347 42.360 1.00 16.39 C ATOM 981 CE2 PHE A 835 -3.582 38.481 43.110 1.00 16.80 C ATOM 982 CZ PHE A 835 -4.819 37.874 43.158 1.00 16.67 C ATOM 983 H PHE A 835 -5.407 41.028 38.242 1.00 0.00 H ATOM 984 N ASN A 836 -4.894 44.406 40.657 1.00 17.54 N ATOM 985 CA ASN A 836 -4.117 45.626 40.788 1.00 18.24 C ATOM 986 C ASN A 836 -3.178 45.461 41.980 1.00 17.47 C ATOM 987 O ASN A 836 -3.091 44.374 42.565 1.00 17.22 O ATOM 988 CB ASN A 836 -5.046 46.843 40.939 1.00 20.24 C ATOM 989 CG ASN A 836 -6.029 46.713 42.100 1.00 22.86 C ATOM 990 OD1 ASN A 836 -5.960 45.785 42.917 1.00 22.22 O ATOM 991 ND2 ASN A 836 -6.962 47.645 42.167 1.00 27.52 N ATOM 992 HD22 ASN A 836 -6.986 48.408 41.461 1.00 0.00 H ATOM 993 HD21 ASN A 836 -7.673 47.616 42.926 1.00 0.00 H ATOM 994 H ASN A 836 -5.711 44.270 41.286 1.00 0.00 H ATOM 995 N GLU A 837 -2.498 46.533 42.370 1.00 18.16 N ATOM 996 CA GLU A 837 -1.577 46.457 43.495 1.00 19.27 C ATOM 997 C GLU A 837 -2.252 46.032 44.806 1.00 17.75 C ATOM 998 O GLU A 837 -1.669 45.253 45.566 1.00 19.27 O ATOM 999 CB GLU A 837 -0.811 47.775 43.666 1.00 21.34 C ATOM 1000 CG GLU A 837 0.306 47.997 42.656 1.00 27.46 C ATOM 1001 CD GLU A 837 1.305 49.015 43.151 1.00 32.18 C ATOM 1002 OE1 GLU A 837 2.179 48.657 43.972 1.00 35.81 O ATOM 1003 OE2 GLU A 837 1.210 50.169 42.710 1.00 47.45 O ATOM 1004 H GLU A 837 -2.624 47.435 41.867 1.00 0.00 H ATOM 1005 N GLU A 838 -3.474 46.510 45.052 1.00 18.63 N ATOM 1006 CA GLU A 838 -4.190 46.107 46.261 1.00 19.38 C ATOM 1007 C GLU A 838 -4.336 44.580 46.349 1.00 18.48 C ATOM 1008 O GLU A 838 -4.028 43.965 47.379 1.00 18.41 O ATOM 1009 CB GLU A 838 -5.557 46.797 46.351 1.00 22.05 C ATOM 1010 CG GLU A 838 -6.388 46.339 47.541 1.00 23.64 C ATOM 1011 CD GLU A 838 -7.676 47.118 47.705 1.00 33.45 C ATOM 1012 OE1 GLU A 838 -8.446 47.249 46.730 1.00 38.59 O ATOM 1013 OE2 GLU A 838 -7.919 47.586 48.833 1.00 42.46 O ATOM 1014 H GLU A 838 -3.917 47.170 44.382 1.00 0.00 H ATOM 1015 N LYS A 839 -4.793 43.971 45.259 1.00 17.70 N ATOM 1016 CA LYS A 839 -4.965 42.529 45.234 1.00 16.39 C ATOM 1017 C LYS A 839 -3.634 41.786 45.379 1.00 15.61 C ATOM 1018 O LYS A 839 -3.553 40.729 46.014 1.00 15.97 O ATOM 1019 CB LYS A 839 -5.644 42.095 43.938 1.00 18.18 C ATOM 1020 CG LYS A 839 -7.134 42.422 43.863 1.00 19.64 C ATOM 1021 CD LYS A 839 -7.937 41.447 44.711 1.00 21.16 C ATOM 1022 CE LYS A 839 -9.387 41.880 44.883 1.00 29.19 C ATOM 1023 NZ LYS A 839 -9.516 43.100 45.737 1.00 32.48 N ATOM 1024 HZ1 LYS A 839 -9.123 42.905 46.680 1.00 0.00 H ATOM 1025 HZ2 LYS A 839 -8.994 43.885 45.298 1.00 0.00 H ATOM 1026 HZ3 LYS A 839 -10.520 43.356 45.825 1.00 0.00 H ATOM 1027 H LYS A 839 -5.030 44.533 44.416 1.00 0.00 H ATOM 1028 N MET A 840 -2.576 42.330 44.778 1.00 15.43 N ATOM 1029 CA MET A 840 -1.251 41.749 44.937 1.00 15.44 C ATOM 1030 C MET A 840 -0.857 41.701 46.417 1.00 15.81 C ATOM 1031 O MET A 840 -0.346 40.681 46.898 1.00 17.61 O ATOM 1032 CB MET A 840 -0.211 42.547 44.139 1.00 15.80 C ATOM 1033 CG MET A 840 -0.417 42.444 42.634 1.00 16.53 C ATOM 1034 SD MET A 840 0.506 43.653 41.675 1.00 18.89 S ATOM 1035 CE MET A 840 2.208 43.349 42.122 1.00 20.50 C ATOM 1036 H MET A 840 -2.699 43.179 44.189 1.00 0.00 H ATOM 1037 N HIS A 841 -1.102 42.782 47.159 1.00 16.51 N ATOM 1038 CA HIS A 841 -0.847 42.735 48.589 1.00 16.86 C ATOM 1039 C HIS A 841 -1.775 41.771 49.326 1.00 16.73 C ATOM 1040 O HIS A 841 -1.337 41.023 50.205 1.00 18.69 O ATOM 1041 CB HIS A 841 -0.983 44.125 49.211 1.00 19.41 C ATOM 1042 CG HIS A 841 0.129 45.057 48.864 1.00 21.26 C ATOM 1043 ND1 HIS A 841 1.416 44.890 49.330 1.00 22.71 N ATOM 1044 CD2 HIS A 841 0.132 46.202 48.141 1.00 23.03 C ATOM 1045 CE1 HIS A 841 2.168 45.891 48.898 1.00 24.32 C ATOM 1046 NE2 HIS A 841 1.413 46.698 48.172 1.00 24.43 N ATOM 1047 H HIS A 841 -1.471 43.649 46.719 1.00 0.00 H ATOM 1048 N GLN A 842 -3.058 41.803 48.986 1.00 16.97 N ATOM 1049 CA GLN A 842 -4.050 40.980 49.691 1.00 17.35 C ATOM 1050 C GLN A 842 -3.764 39.478 49.537 1.00 15.99 C ATOM 1051 O GLN A 842 -4.095 38.682 50.407 1.00 17.51 O ATOM 1052 CB GLN A 842 -5.446 41.298 49.176 1.00 18.71 C ATOM 1053 CG GLN A 842 -6.000 42.628 49.665 1.00 20.43 C ATOM 1054 CD GLN A 842 -7.320 42.966 49.010 1.00 19.95 C ATOM 1055 OE1 GLN A 842 -7.561 42.630 47.848 1.00 21.44 O ATOM 1056 NE2 GLN A 842 -8.192 43.628 49.756 1.00 23.20 N ATOM 1057 HE22 GLN A 842 -7.947 43.892 50.732 1.00 0.00 H ATOM 1058 HE21 GLN A 842 -9.121 43.884 49.366 1.00 0.00 H ATOM 1059 H GLN A 842 -3.366 42.421 48.208 1.00 0.00 H ATOM 1060 N SER A 843 -3.135 39.110 48.422 1.00 16.25 N ATOM 1061 CA SER A 843 -2.829 37.708 48.127 1.00 15.62 C ATOM 1062 C SER A 843 -1.721 37.118 48.988 1.00 15.05 C ATOM 1063 O SER A 843 -1.498 35.916 48.949 1.00 15.91 O ATOM 1064 CB SER A 843 -2.417 37.568 46.655 1.00 16.62 C ATOM 1065 OG SER A 843 -1.101 38.068 46.437 1.00 16.24 O ATOM 1066 HG SER A 843 -1.068 39.026 46.684 1.00 0.00 H ATOM 1067 H SER A 843 -2.852 39.841 47.739 1.00 0.00 H ATOM 1068 N ALA A 844 -0.970 37.983 49.674 1.00 15.33 N ATOM 1069 CA ALA A 844 0.235 37.620 50.438 1.00 16.46 C ATOM 1070 C ALA A 844 1.399 37.218 49.531 1.00 16.12 C ATOM 1071 O ALA A 844 2.375 36.659 50.009 1.00 19.41 O ATOM 1072 CB ALA A 844 -0.055 36.541 51.496 1.00 18.81 C ATOM 1073 H ALA A 844 -1.256 38.983 49.668 1.00 0.00 H ATOM 1074 N MET A 845 1.277 37.512 48.237 1.00 15.07 N ATOM 1075 CA MET A 845 2.294 37.216 47.232 1.00 16.29 C ATOM 1076 C MET A 845 2.701 38.444 46.427 1.00 14.27 C ATOM 1077 O MET A 845 2.977 38.337 45.233 1.00 15.30 O ATOM 1078 CB MET A 845 1.767 36.158 46.245 1.00 20.07 C ATOM 1079 CG MET A 845 1.435 34.845 46.867 1.00 19.72 C ATOM 1080 SD MET A 845 1.452 33.495 45.692 1.00 20.61 S ATOM 1081 CE MET A 845 0.279 34.027 44.573 1.00 18.32 C ATOM 1082 H MET A 845 0.403 37.981 47.924 1.00 0.00 H ATOM 1083 N TYR A 846 2.785 39.591 47.079 1.00 14.61 N ATOM 1084 CA TYR A 846 3.069 40.817 46.347 1.00 15.54 C ATOM 1085 C TYR A 846 4.316 40.728 45.480 1.00 14.73 C ATOM 1086 O TYR A 846 4.287 41.038 44.289 1.00 15.01 O ATOM 1087 CB TYR A 846 3.185 42.014 47.314 1.00 17.41 C ATOM 1088 CG TYR A 846 3.394 43.311 46.578 1.00 16.85 C ATOM 1089 CD1 TYR A 846 2.311 44.058 46.116 1.00 20.07 C ATOM 1090 CD2 TYR A 846 4.683 43.787 46.325 1.00 22.21 C ATOM 1091 CE1 TYR A 846 2.502 45.253 45.422 1.00 21.48 C ATOM 1092 CE2 TYR A 846 4.889 44.965 45.631 1.00 25.34 C ATOM 1093 CZ TYR A 846 3.799 45.696 45.187 1.00 24.08 C ATOM 1094 OH TYR A 846 4.028 46.869 44.503 1.00 30.80 O ATOM 1095 HH TYR A 846 3.162 47.277 44.251 1.00 0.00 H ATOM 1096 H TYR A 846 2.649 39.617 48.110 1.00 0.00 H ATOM 1097 N GLU A 847 5.427 40.333 46.075 1.00 14.67 N ATOM 1098 CA GLU A 847 6.698 40.344 45.327 1.00 14.99 C ATOM 1099 C GLU A 847 6.714 39.320 44.183 1.00 13.75 C ATOM 1100 O GLU A 847 7.274 39.575 43.109 1.00 14.58 O ATOM 1101 CB GLU A 847 7.873 40.151 46.267 1.00 18.77 C ATOM 1102 CG GLU A 847 8.117 41.391 47.142 1.00 25.01 C ATOM 1103 CD GLU A 847 9.219 41.204 48.153 1.00 28.86 C ATOM 1104 OE1 GLU A 847 10.398 41.264 47.756 1.00 40.25 O ATOM 1105 OE2 GLU A 847 8.904 40.991 49.338 1.00 41.07 O ATOM 1106 H GLU A 847 5.406 40.016 47.065 1.00 0.00 H ATOM 1107 N LEU A 848 6.074 38.170 44.391 1.00 13.48 N ATOM 1108 CA LEU A 848 5.948 37.197 43.303 1.00 12.82 C ATOM 1109 C LEU A 848 5.101 37.765 42.162 1.00 12.17 C ATOM 1110 O LEU A 848 5.458 37.648 40.975 1.00 12.89 O ATOM 1111 CB LEU A 848 5.319 35.889 43.820 1.00 13.23 C ATOM 1112 CG LEU A 848 6.231 35.070 44.735 1.00 13.19 C ATOM 1113 CD1 LEU A 848 5.461 33.933 45.400 1.00 15.67 C ATOM 1114 CD2 LEU A 848 7.423 34.521 43.974 1.00 15.63 C ATOM 1115 H LEU A 848 5.664 37.963 45.324 1.00 0.00 H ATOM 1116 N CYS A 849 3.985 38.400 42.513 1.00 12.54 N ATOM 1117 CA CYS A 849 3.156 39.038 41.500 1.00 12.81 C ATOM 1118 C CYS A 849 3.930 40.134 40.770 1.00 12.78 C ATOM 1119 O CYS A 849 3.737 40.341 39.575 1.00 13.45 O ATOM 1120 CB CYS A 849 1.882 39.639 42.113 1.00 14.54 C ATOM 1121 SG CYS A 849 0.675 38.423 42.653 1.00 15.20 S ATOM 1122 H CYS A 849 3.704 38.441 43.514 1.00 0.00 H ATOM 1123 N GLN A 850 4.750 40.880 41.502 1.00 13.96 N ATOM 1124 CA GLN A 850 5.562 41.907 40.856 1.00 14.63 C ATOM 1125 C GLN A 850 6.533 41.310 39.842 1.00 13.93 C ATOM 1126 O GLN A 850 6.740 41.885 38.782 1.00 14.28 O ATOM 1127 CB GLN A 850 6.281 42.711 41.922 1.00 16.47 C ATOM 1128 CG GLN A 850 7.090 43.897 41.501 1.00 24.25 C ATOM 1129 CD GLN A 850 7.577 44.590 42.754 1.00 31.86 C ATOM 1130 OE1 GLN A 850 8.059 43.937 43.686 1.00 41.82 O ATOM 1131 NE2 GLN A 850 7.363 45.885 42.833 1.00 40.82 N ATOM 1132 HE22 GLN A 850 6.955 46.395 42.024 1.00 0.00 H ATOM 1133 HE21 GLN A 850 7.602 46.399 43.705 1.00 0.00 H ATOM 1134 H GLN A 850 4.813 40.733 42.530 1.00 0.00 H ATOM 1135 N GLY A 851 7.125 40.160 40.160 1.00 13.60 N ATOM 1136 CA GLY A 851 8.002 39.504 39.207 1.00 14.59 C ATOM 1137 C GLY A 851 7.237 39.064 37.963 1.00 13.48 C ATOM 1138 O GLY A 851 7.717 39.201 36.845 1.00 14.57 O ATOM 1139 H GLY A 851 6.959 39.731 41.093 1.00 0.00 H ATOM 1140 N MET A 852 6.017 38.576 38.145 1.00 13.16 N ATOM 1141 CA MET A 852 5.188 38.230 37.002 1.00 13.58 C ATOM 1142 C MET A 852 4.845 39.458 36.160 1.00 13.30 C ATOM 1143 O MET A 852 4.893 39.426 34.917 1.00 14.25 O ATOM 1144 CB MET A 852 3.916 37.543 37.506 1.00 13.82 C ATOM 1145 CG MET A 852 2.966 37.102 36.408 1.00 14.10 C ATOM 1146 SD MET A 852 3.404 35.553 35.579 1.00 17.93 S ATOM 1147 CE MET A 852 4.565 36.045 34.326 1.00 16.43 C ATOM 1148 H MET A 852 5.652 38.440 39.109 1.00 0.00 H ATOM 1149 N HIS A 853 4.503 40.547 36.826 1.00 13.33 N ATOM 1150 CA HIS A 853 4.192 41.787 36.137 1.00 13.93 C ATOM 1151 C HIS A 853 5.392 42.265 35.296 1.00 13.90 C ATOM 1152 O HIS A 853 5.224 42.766 34.203 1.00 14.07 O ATOM 1153 CB HIS A 853 3.790 42.826 37.181 1.00 14.66 C ATOM 1154 CG HIS A 853 3.290 44.094 36.578 1.00 16.13 C ATOM 1155 ND1 HIS A 853 3.597 45.332 37.088 1.00 23.13 N ATOM 1156 CD2 HIS A 853 2.488 44.304 35.514 1.00 16.83 C ATOM 1157 CE1 HIS A 853 3.003 46.256 36.355 1.00 22.88 C ATOM 1158 NE2 HIS A 853 2.321 45.658 35.398 1.00 19.64 N ATOM 1159 H HIS A 853 4.456 40.515 37.864 1.00 0.00 H ATOM 1160 N GLN A 854 6.601 42.088 35.796 1.00 14.64 N ATOM 1161 CA GLN A 854 7.798 42.462 35.034 1.00 14.55 C ATOM 1162 C GLN A 854 7.883 41.696 33.707 1.00 14.58 C ATOM 1163 O GLN A 854 8.241 42.268 32.688 1.00 15.45 O ATOM 1164 CB GLN A 854 9.049 42.254 35.883 1.00 18.11 C ATOM 1165 CG GLN A 854 9.188 43.313 36.975 1.00 23.28 C ATOM 1166 CD GLN A 854 9.439 44.701 36.392 1.00 31.17 C ATOM 1167 OE1 GLN A 854 10.225 44.863 35.472 1.00 48.32 O ATOM 1168 NE2 GLN A 854 8.731 45.691 36.901 1.00 42.67 N ATOM 1169 HE22 GLN A 854 8.072 45.510 37.685 1.00 0.00 H ATOM 1170 HE21 GLN A 854 8.832 46.653 36.518 1.00 0.00 H ATOM 1171 H GLN A 854 6.707 41.677 36.745 1.00 0.00 H ATOM 1172 N ILE A 855 7.550 40.405 33.701 1.00 14.22 N ATOM 1173 CA ILE A 855 7.510 39.654 32.448 1.00 14.93 C ATOM 1174 C ILE A 855 6.476 40.271 31.506 1.00 13.44 C ATOM 1175 O ILE A 855 6.745 40.458 30.330 1.00 15.17 O ATOM 1176 CB ILE A 855 7.196 38.144 32.701 1.00 15.04 C ATOM 1177 CG1 ILE A 855 8.295 37.470 33.538 1.00 17.08 C ATOM 1178 CG2 ILE A 855 6.947 37.395 31.396 1.00 16.15 C ATOM 1179 CD1 ILE A 855 9.653 37.338 32.866 1.00 17.56 C ATOM 1180 H ILE A 855 7.317 39.928 34.595 1.00 0.00 H ATOM 1181 N SER A 856 5.290 40.596 32.032 1.00 13.49 N ATOM 1182 CA SER A 856 4.280 41.162 31.151 1.00 12.96 C ATOM 1183 C SER A 856 4.707 42.524 30.599 1.00 12.85 C ATOM 1184 O SER A 856 4.338 42.870 29.471 1.00 14.12 O ATOM 1185 CB SER A 856 2.920 41.239 31.840 1.00 13.07 C ATOM 1186 OG SER A 856 2.867 42.291 32.796 1.00 12.82 O ATOM 1187 HG SER A 856 3.558 42.141 33.489 1.00 0.00 H ATOM 1188 H SER A 856 5.095 40.448 33.043 1.00 0.00 H ATOM 1189 N LEU A 857 5.484 43.288 31.367 1.00 13.06 N ATOM 1190 CA LEU A 857 6.004 44.554 30.852 1.00 14.50 C ATOM 1191 C LEU A 857 7.032 44.331 29.748 1.00 14.52 C ATOM 1192 O LEU A 857 7.148 45.137 28.826 1.00 15.26 O ATOM 1193 CB LEU A 857 6.581 45.375 32.001 1.00 15.78 C ATOM 1194 CG LEU A 857 5.544 45.927 32.984 1.00 17.61 C ATOM 1195 CD1 LEU A 857 6.242 46.558 34.183 1.00 23.69 C ATOM 1196 CD2 LEU A 857 4.578 46.927 32.344 1.00 20.20 C ATOM 1197 H LEU A 857 5.720 42.983 32.333 1.00 0.00 H ATOM 1198 N GLN A 858 7.808 43.245 29.839 1.00 14.18 N ATOM 1199 CA GLN A 858 8.712 42.884 28.751 1.00 14.15 C ATOM 1200 C GLN A 858 7.939 42.568 27.465 1.00 13.93 C ATOM 1201 O GLN A 858 8.417 42.862 26.371 1.00 14.27 O ATOM 1202 CB GLN A 858 9.598 41.700 29.119 1.00 16.01 C ATOM 1203 CG GLN A 858 10.591 41.954 30.236 1.00 19.28 C ATOM 1204 CD GLN A 858 11.742 42.823 29.801 1.00 24.69 C ATOM 1205 OE1 GLN A 858 11.913 43.100 28.619 1.00 29.04 O ATOM 1206 NE2 GLN A 858 12.578 43.207 30.757 1.00 43.22 N ATOM 1207 HE22 GLN A 858 12.391 42.948 31.747 1.00 0.00 H ATOM 1208 HE21 GLN A 858 13.421 43.767 30.517 1.00 0.00 H ATOM 1209 H GLN A 858 7.767 42.652 30.693 1.00 0.00 H ATOM 1210 N PHE A 859 6.740 41.987 27.586 1.00 13.22 N ATOM 1211 CA PHE A 859 5.924 41.749 26.388 1.00 13.43 C ATOM 1212 C PHE A 859 5.576 43.076 25.711 1.00 13.09 C ATOM 1213 O PHE A 859 5.564 43.156 24.481 1.00 14.17 O ATOM 1214 CB PHE A 859 4.610 41.004 26.715 1.00 13.70 C ATOM 1215 CG PHE A 859 4.746 39.517 27.017 1.00 12.15 C ATOM 1216 CD1 PHE A 859 5.926 38.910 27.443 1.00 14.69 C ATOM 1217 CD2 PHE A 859 3.607 38.736 26.909 1.00 12.75 C ATOM 1218 CE1 PHE A 859 5.954 37.536 27.725 1.00 14.44 C ATOM 1219 CE2 PHE A 859 3.633 37.380 27.179 1.00 13.74 C ATOM 1220 CZ PHE A 859 4.811 36.782 27.587 1.00 13.47 C ATOM 1221 H PHE A 859 6.388 41.705 28.523 1.00 0.00 H ATOM 1222 N VAL A 860 5.283 44.115 26.503 1.00 14.33 N ATOM 1223 CA VAL A 860 5.027 45.443 25.941 1.00 15.19 C ATOM 1224 C VAL A 860 6.283 46.010 25.298 1.00 16.22 C ATOM 1225 O VAL A 860 6.232 46.523 24.175 1.00 16.73 O ATOM 1226 CB VAL A 860 4.511 46.434 27.017 1.00 16.45 C ATOM 1227 CG1 VAL A 860 4.364 47.843 26.432 1.00 18.27 C ATOM 1228 CG2 VAL A 860 3.168 46.010 27.570 1.00 17.26 C ATOM 1229 H VAL A 860 5.236 43.977 27.533 1.00 0.00 H ATOM 1230 N ARG A 861 7.416 45.944 25.989 1.00 15.31 N ATOM 1231 CA ARG A 861 8.663 46.466 25.428 1.00 17.45 C ATOM 1232 C ARG A 861 8.986 45.827 24.075 1.00 17.30 C ATOM 1233 O ARG A 861 9.412 46.507 23.133 1.00 18.40 O ATOM 1234 CB ARG A 861 9.810 46.239 26.409 1.00 18.36 C ATOM 1235 CG ARG A 861 11.147 46.805 25.970 1.00 24.14 C ATOM 1236 CD ARG A 861 12.277 46.460 26.931 1.00 27.11 C ATOM 1237 NE ARG A 861 12.647 45.039 26.890 1.00 27.53 N ATOM 1238 CZ ARG A 861 13.421 44.470 25.963 1.00 30.55 C ATOM 1239 NH1 ARG A 861 13.688 43.170 26.034 1.00 31.96 N ATOM 1240 NH2 ARG A 861 13.924 45.183 24.962 1.00 35.22 N ATOM 1241 HE ARG A 861 12.276 44.427 27.644 1.00 0.00 H ATOM 1242 HH12 ARG A 861 14.291 42.723 25.314 1.00 0.00 H ATOM 1243 HH11 ARG A 861 13.294 42.600 26.810 1.00 0.00 H ATOM 1244 HH22 ARG A 861 14.525 44.725 24.248 1.00 0.00 H ATOM 1245 HH21 ARG A 861 13.717 46.200 24.892 1.00 0.00 H ATOM 1246 H ARG A 861 7.417 45.517 26.937 1.00 0.00 H ATOM 1247 N LEU A 862 8.795 44.518 23.973 1.00 14.75 N ATOM 1248 CA LEU A 862 9.094 43.780 22.764 1.00 15.27 C ATOM 1249 C LEU A 862 8.000 43.814 21.721 1.00 15.42 C ATOM 1250 O LEU A 862 8.243 43.438 20.584 1.00 16.12 O ATOM 1251 CB LEU A 862 9.371 42.312 23.119 1.00 16.78 C ATOM 1252 CG LEU A 862 10.671 42.036 23.847 1.00 19.51 C ATOM 1253 CD1 LEU A 862 10.624 40.697 24.581 1.00 23.00 C ATOM 1254 CD2 LEU A 862 11.791 42.060 22.819 1.00 25.85 C ATOM 1255 H LEU A 862 8.416 44.002 24.793 1.00 0.00 H ATOM 1256 N GLN A 863 6.787 44.219 22.105 1.00 14.72 N ATOM 1257 CA GLN A 863 5.604 44.017 21.258 1.00 14.67 C ATOM 1258 C GLN A 863 5.555 42.576 20.791 1.00 14.35 C ATOM 1259 O GLN A 863 5.516 42.281 19.598 1.00 15.16 O ATOM 1260 CB GLN A 863 5.515 45.040 20.112 1.00 17.87 C ATOM 1261 CG GLN A 863 5.378 46.483 20.614 1.00 18.51 C ATOM 1262 CD GLN A 863 4.000 46.779 21.187 1.00 19.36 C ATOM 1263 OE1 GLN A 863 3.003 46.778 20.462 1.00 24.62 O ATOM 1264 NE2 GLN A 863 3.928 46.971 22.514 1.00 20.66 N ATOM 1265 HE22 GLN A 863 4.795 46.964 23.088 1.00 0.00 H ATOM 1266 HE21 GLN A 863 3.005 47.127 22.968 1.00 0.00 H ATOM 1267 H GLN A 863 6.677 44.689 23.026 1.00 0.00 H ATOM 1268 N LEU A 864 5.572 41.675 21.768 1.00 13.23 N ATOM 1269 CA LEU A 864 5.537 40.252 21.479 1.00 13.16 C ATOM 1270 C LEU A 864 4.324 39.913 20.603 1.00 13.08 C ATOM 1271 O LEU A 864 3.224 40.385 20.856 1.00 14.58 O ATOM 1272 CB LEU A 864 5.441 39.458 22.794 1.00 12.63 C ATOM 1273 CG LEU A 864 5.720 37.963 22.663 1.00 13.01 C ATOM 1274 CD1 LEU A 864 7.203 37.701 22.425 1.00 15.43 C ATOM 1275 CD2 LEU A 864 5.260 37.194 23.901 1.00 13.79 C ATOM 1276 H LEU A 864 5.611 41.995 22.757 1.00 0.00 H ATOM 1277 N THR A 865 4.512 39.065 19.602 1.00 12.93 N ATOM 1278 CA THR A 865 3.375 38.677 18.761 1.00 13.63 C ATOM 1279 C THR A 865 2.765 37.376 19.257 1.00 12.29 C ATOM 1280 O THR A 865 3.418 36.596 19.956 1.00 11.88 O ATOM 1281 CB THR A 865 3.774 38.535 17.278 1.00 15.52 C ATOM 1282 OG1 THR A 865 4.554 37.344 17.167 1.00 14.73 O ATOM 1283 CG2 THR A 865 4.561 39.770 16.793 1.00 18.89 C ATOM 1284 HG1 THR A 865 4.830 37.218 16.225 1.00 0.00 H ATOM 1285 H THR A 865 5.459 38.678 19.414 1.00 0.00 H ATOM 1286 N PHE A 866 1.542 37.114 18.832 1.00 13.07 N ATOM 1287 CA PHE A 866 0.841 35.895 19.228 1.00 13.19 C ATOM 1288 C PHE A 866 1.612 34.669 18.745 1.00 12.17 C ATOM 1289 O PHE A 866 1.692 33.668 19.455 1.00 11.96 O ATOM 1290 CB PHE A 866 -0.593 35.890 18.688 1.00 14.21 C ATOM 1291 CG PHE A 866 -1.351 34.652 19.044 1.00 13.83 C ATOM 1292 CD1 PHE A 866 -1.836 34.455 20.334 1.00 15.43 C ATOM 1293 CD2 PHE A 866 -1.558 33.658 18.108 1.00 16.29 C ATOM 1294 CE1 PHE A 866 -2.555 33.311 20.666 1.00 16.11 C ATOM 1295 CE2 PHE A 866 -2.262 32.509 18.443 1.00 17.27 C ATOM 1296 CZ PHE A 866 -2.766 32.335 19.715 1.00 17.54 C ATOM 1297 H PHE A 866 1.067 37.791 18.201 1.00 0.00 H ATOM 1298 N GLU A 867 2.159 34.723 17.521 1.00 12.69 N ATOM 1299 CA GLU A 867 2.905 33.560 16.990 1.00 13.83 C ATOM 1300 C GLU A 867 4.179 33.324 17.790 1.00 12.76 C ATOM 1301 O GLU A 867 4.552 32.176 18.054 1.00 13.86 O ATOM 1302 CB GLU A 867 3.235 33.777 15.514 1.00 17.27 C ATOM 1303 CG GLU A 867 2.014 33.748 14.603 1.00 19.06 C ATOM 1304 CD GLU A 867 1.072 34.939 14.783 1.00 19.48 C ATOM 1305 OE1 GLU A 867 1.572 36.072 15.007 1.00 19.79 O ATOM 1306 OE2 GLU A 867 -0.171 34.742 14.642 1.00 22.53 O ATOM 1307 H GLU A 867 2.059 35.583 16.945 1.00 0.00 H ATOM 1308 N GLU A 868 4.889 34.398 18.144 1.00 12.26 N ATOM 1309 CA GLU A 868 6.058 34.245 19.027 1.00 12.21 C ATOM 1310 C GLU A 868 5.639 33.599 20.351 1.00 10.76 C ATOM 1311 O GLU A 868 6.286 32.654 20.827 1.00 11.24 O ATOM 1312 CB GLU A 868 6.726 35.589 19.288 1.00 12.21 C ATOM 1313 CG GLU A 868 7.467 36.130 18.068 1.00 13.95 C ATOM 1314 CD GLU A 868 7.911 37.577 18.219 1.00 13.33 C ATOM 1315 OE1 GLU A 868 8.863 37.952 17.530 1.00 14.35 O ATOM 1316 OE2 GLU A 868 7.304 38.349 18.996 1.00 13.91 O ATOM 1317 H GLU A 868 4.617 35.340 17.797 1.00 0.00 H ATOM 1318 N TYR A 869 4.557 34.104 20.939 1.00 10.86 N ATOM 1319 CA TYR A 869 4.029 33.570 22.176 1.00 10.81 C ATOM 1320 C TYR A 869 3.726 32.077 22.078 1.00 9.78 C ATOM 1321 O TYR A 869 4.121 31.313 22.957 1.00 10.08 O ATOM 1322 CB TYR A 869 2.801 34.395 22.568 1.00 11.48 C ATOM 1323 CG TYR A 869 1.843 33.688 23.506 1.00 11.12 C ATOM 1324 CD1 TYR A 869 2.137 33.528 24.866 1.00 11.74 C ATOM 1325 CD2 TYR A 869 0.640 33.174 23.034 1.00 12.14 C ATOM 1326 CE1 TYR A 869 1.242 32.870 25.714 1.00 11.97 C ATOM 1327 CE2 TYR A 869 -0.264 32.528 23.873 1.00 13.19 C ATOM 1328 CZ TYR A 869 0.036 32.390 25.205 1.00 12.90 C ATOM 1329 OH TYR A 869 -0.843 31.750 26.048 1.00 15.06 O ATOM 1330 HH TYR A 869 -0.980 30.820 25.736 1.00 0.00 H ATOM 1331 H TYR A 869 4.074 34.910 20.494 1.00 0.00 H ATOM 1332 N THR A 870 3.020 31.656 21.032 1.00 10.70 N ATOM 1333 CA THR A 870 2.625 30.242 20.992 1.00 10.79 C ATOM 1334 C THR A 870 3.847 29.337 20.846 1.00 10.50 C ATOM 1335 O THR A 870 3.901 28.272 21.453 1.00 10.78 O ATOM 1336 CB THR A 870 1.590 29.921 19.901 1.00 11.72 C ATOM 1337 OG1 THR A 870 2.122 30.281 18.624 1.00 12.05 O ATOM 1338 CG2 THR A 870 0.258 30.607 20.169 1.00 13.07 C ATOM 1339 HG1 THR A 870 1.457 30.075 17.921 1.00 0.00 H ATOM 1340 H THR A 870 2.756 32.308 20.266 1.00 0.00 H ATOM 1341 N ILE A 871 4.836 29.726 20.037 1.00 10.54 N ATOM 1342 CA ILE A 871 6.037 28.920 19.897 1.00 10.41 C ATOM 1343 C ILE A 871 6.830 28.904 21.215 1.00 9.72 C ATOM 1344 O ILE A 871 7.327 27.856 21.660 1.00 10.19 O ATOM 1345 CB ILE A 871 6.897 29.414 18.715 1.00 10.14 C ATOM 1346 CG1 ILE A 871 6.186 29.158 17.371 1.00 11.45 C ATOM 1347 CG2 ILE A 871 8.269 28.740 18.773 1.00 10.55 C ATOM 1348 CD1 ILE A 871 6.031 27.704 17.011 1.00 17.39 C ATOM 1349 H ILE A 871 4.746 30.614 19.503 1.00 0.00 H ATOM 1350 N MET A 872 6.973 30.080 21.817 1.00 9.96 N ATOM 1351 CA MET A 872 7.702 30.183 23.079 1.00 10.04 C ATOM 1352 C MET A 872 7.075 29.333 24.158 1.00 9.39 C ATOM 1353 O MET A 872 7.791 28.766 24.992 1.00 9.79 O ATOM 1354 CB MET A 872 7.798 31.648 23.479 1.00 10.60 C ATOM 1355 CG MET A 872 8.799 32.421 22.628 1.00 11.49 C ATOM 1356 SD MET A 872 8.665 34.222 22.841 1.00 12.69 S ATOM 1357 CE MET A 872 9.550 34.470 24.368 1.00 13.39 C ATOM 1358 H MET A 872 6.563 30.933 21.387 1.00 0.00 H ATOM 1359 N LYS A 873 5.747 29.255 24.190 1.00 9.57 N ATOM 1360 CA LYS A 873 5.088 28.433 25.196 1.00 9.61 C ATOM 1361 C LYS A 873 5.478 26.957 25.035 1.00 9.35 C ATOM 1362 O LYS A 873 5.684 26.259 26.037 1.00 9.67 O ATOM 1363 CB LYS A 873 3.588 28.666 25.138 1.00 11.12 C ATOM 1364 CG LYS A 873 2.827 27.878 26.209 1.00 12.63 C ATOM 1365 CD LYS A 873 1.595 28.601 26.759 1.00 15.18 C ATOM 1366 CE LYS A 873 0.620 28.986 25.665 1.00 15.48 C ATOM 1367 NZ LYS A 873 0.088 27.808 24.926 1.00 15.75 N ATOM 1368 HZ1 LYS A 873 0.876 27.293 24.484 1.00 0.00 H ATOM 1369 HZ2 LYS A 873 -0.409 27.180 25.589 1.00 0.00 H ATOM 1370 HZ3 LYS A 873 -0.573 28.131 24.191 1.00 0.00 H ATOM 1371 H LYS A 873 5.179 29.782 23.496 1.00 0.00 H ATOM 1372 N VAL A 874 5.582 26.481 23.795 1.00 9.41 N ATOM 1373 CA VAL A 874 6.051 25.122 23.586 1.00 10.00 C ATOM 1374 C VAL A 874 7.481 24.980 24.086 1.00 9.18 C ATOM 1375 O VAL A 874 7.852 23.980 24.713 1.00 9.89 O ATOM 1376 CB VAL A 874 5.934 24.684 22.117 1.00 10.34 C ATOM 1377 CG1 VAL A 874 6.427 23.245 21.978 1.00 11.97 C ATOM 1378 CG2 VAL A 874 4.481 24.832 21.641 1.00 12.53 C ATOM 1379 H VAL A 874 5.329 27.078 22.982 1.00 0.00 H ATOM 1380 N LEU A 875 8.326 25.986 23.816 1.00 9.59 N ATOM 1381 CA LEU A 875 9.682 25.910 24.329 1.00 9.81 C ATOM 1382 C LEU A 875 9.699 25.822 25.850 1.00 9.35 C ATOM 1383 O LEU A 875 10.541 25.130 26.417 1.00 10.20 O ATOM 1384 CB LEU A 875 10.528 27.077 23.802 1.00 10.23 C ATOM 1385 CG LEU A 875 10.829 26.971 22.306 1.00 10.41 C ATOM 1386 CD1 LEU A 875 11.501 28.242 21.804 1.00 12.93 C ATOM 1387 CD2 LEU A 875 11.704 25.761 22.021 1.00 12.59 C ATOM 1388 H LEU A 875 8.017 26.803 23.251 1.00 0.00 H ATOM 1389 N LEU A 876 8.778 26.492 26.550 1.00 9.12 N ATOM 1390 CA LEU A 876 8.686 26.356 28.007 1.00 9.24 C ATOM 1391 C LEU A 876 8.298 24.943 28.428 1.00 9.01 C ATOM 1392 O LEU A 876 8.840 24.420 29.421 1.00 9.56 O ATOM 1393 CB LEU A 876 7.727 27.382 28.579 1.00 9.61 C ATOM 1394 CG LEU A 876 8.198 28.826 28.491 1.00 10.03 C ATOM 1395 CD1 LEU A 876 7.099 29.746 28.966 1.00 11.73 C ATOM 1396 CD2 LEU A 876 9.486 29.077 29.251 1.00 12.08 C ATOM 1397 H LEU A 876 8.115 27.121 26.053 1.00 0.00 H ATOM 1398 N LEU A 877 7.387 24.292 27.711 1.00 9.08 N ATOM 1399 CA LEU A 877 7.038 22.893 27.968 1.00 9.10 C ATOM 1400 C LEU A 877 8.290 22.016 27.912 1.00 9.27 C ATOM 1401 O LEU A 877 8.360 20.988 28.585 1.00 10.45 O ATOM 1402 CB LEU A 877 6.029 22.418 26.917 1.00 9.34 C ATOM 1403 CG LEU A 877 5.667 20.930 26.921 1.00 10.03 C ATOM 1404 CD1 LEU A 877 4.939 20.520 28.197 1.00 11.02 C ATOM 1405 CD2 LEU A 877 4.818 20.623 25.717 1.00 11.61 C ATOM 1406 H LEU A 877 6.904 24.795 26.939 1.00 0.00 H ATOM 1407 N LEU A 878 9.259 22.414 27.080 1.00 9.47 N ATOM 1408 CA LEU A 878 10.473 21.652 26.833 1.00 9.96 C ATOM 1409 C LEU A 878 11.703 22.271 27.528 1.00 10.43 C ATOM 1410 O LEU A 878 12.829 21.994 27.128 1.00 12.05 O ATOM 1411 CB LEU A 878 10.712 21.559 25.320 1.00 10.65 C ATOM 1412 CG LEU A 878 9.536 20.971 24.540 1.00 10.40 C ATOM 1413 CD1 LEU A 878 9.834 21.013 23.052 1.00 12.24 C ATOM 1414 CD2 LEU A 878 9.172 19.562 25.001 1.00 12.27 C ATOM 1415 H LEU A 878 9.137 23.319 26.582 1.00 0.00 H ATOM 1416 N SER A 879 11.506 23.070 28.584 1.00 10.02 N ATOM 1417 CA SER A 879 12.562 23.884 29.206 1.00 9.47 C ATOM 1418 C SER A 879 13.184 23.295 30.458 1.00 10.24 C ATOM 1419 O SER A 879 14.194 23.820 30.928 1.00 11.07 O ATOM 1420 CB SER A 879 12.020 25.282 29.557 1.00 11.44 C ATOM 1421 OG SER A 879 11.080 25.256 30.643 1.00 10.85 O ATOM 1422 HG SER A 879 10.310 24.684 30.398 1.00 0.00 H ATOM 1423 H SER A 879 10.549 23.118 28.989 1.00 0.00 H ATOM 1424 N THR A 880 12.532 22.300 31.055 1.00 9.82 N ATOM 1425 CA THR A 880 12.976 21.751 32.332 1.00 10.81 C ATOM 1426 C THR A 880 12.863 20.246 32.268 1.00 10.64 C ATOM 1427 O THR A 880 11.783 19.701 31.972 1.00 11.92 O ATOM 1428 CB THR A 880 12.123 22.278 33.495 1.00 13.17 C ATOM 1429 OG1 THR A 880 11.991 23.706 33.411 1.00 14.94 O ATOM 1430 CG2 THR A 880 12.761 21.957 34.807 1.00 17.31 C ATOM 1431 HG1 THR A 880 11.555 23.946 32.555 1.00 0.00 H ATOM 1432 H THR A 880 11.685 21.904 30.600 1.00 0.00 H ATOM 1433 N ILE A 881 13.964 19.546 32.569 1.00 11.14 N ATOM 1434 CA ILE A 881 13.970 18.107 32.406 1.00 11.21 C ATOM 1435 C ILE A 881 14.472 17.440 33.677 1.00 10.68 C ATOM 1436 O ILE A 881 15.137 18.050 34.504 1.00 10.82 O ATOM 1437 CB ILE A 881 14.830 17.679 31.194 1.00 11.97 C ATOM 1438 CG1 ILE A 881 16.307 18.107 31.325 1.00 13.69 C ATOM 1439 CG2 ILE A 881 14.200 18.217 29.906 1.00 13.48 C ATOM 1440 CD1 ILE A 881 17.223 17.556 30.229 1.00 15.37 C ATOM 1441 H ILE A 881 14.813 20.034 32.919 1.00 0.00 H ATOM 1442 N PRO A 882 14.177 16.144 33.861 1.00 10.89 N ATOM 1443 CA PRO A 882 14.824 15.405 34.944 1.00 11.57 C ATOM 1444 C PRO A 882 16.319 15.344 34.741 1.00 11.40 C ATOM 1445 O PRO A 882 16.798 15.240 33.622 1.00 15.72 O ATOM 1446 CB PRO A 882 14.221 13.996 34.831 1.00 13.60 C ATOM 1447 CG PRO A 882 13.621 13.911 33.490 1.00 17.20 C ATOM 1448 CD PRO A 882 13.283 15.301 33.050 1.00 13.46 C ATOM 1449 N LYS A 883 17.066 15.418 35.834 1.00 11.58 N ATOM 1450 CA LYS A 883 18.505 15.295 35.776 1.00 12.69 C ATOM 1451 C LYS A 883 18.947 13.867 35.514 1.00 11.24 C ATOM 1452 O LYS A 883 20.056 13.659 35.015 1.00 12.65 O ATOM 1453 CB LYS A 883 19.107 15.861 37.057 1.00 19.47 C ATOM 1454 CG LYS A 883 20.291 16.718 36.755 1.00 21.74 C ATOM 1455 CD LYS A 883 20.697 17.621 37.880 1.00 21.41 C ATOM 1456 CE LYS A 883 22.049 18.167 37.490 1.00 25.41 C ATOM 1457 NZ LYS A 883 22.501 19.273 38.355 1.00 26.59 N ATOM 1458 HZ1 LYS A 883 21.818 20.055 38.300 1.00 0.00 H ATOM 1459 HZ2 LYS A 883 22.568 18.938 39.337 1.00 0.00 H ATOM 1460 HZ3 LYS A 883 23.434 19.603 38.035 1.00 0.00 H ATOM 1461 H LYS A 883 16.606 15.568 36.754 1.00 0.00 H ATOM 1462 N ASP A 884 18.089 12.888 35.817 1.00 10.97 N ATOM 1463 CA ASP A 884 18.455 11.491 35.625 1.00 11.67 C ATOM 1464 C ASP A 884 17.877 10.859 34.367 1.00 11.44 C ATOM 1465 O ASP A 884 17.960 9.659 34.185 1.00 14.39 O ATOM 1466 CB ASP A 884 18.217 10.655 36.879 1.00 13.06 C ATOM 1467 CG ASP A 884 16.786 10.600 37.315 1.00 13.01 C ATOM 1468 OD1 ASP A 884 15.883 11.082 36.571 1.00 12.61 O ATOM 1469 OD2 ASP A 884 16.575 10.053 38.436 1.00 15.31 O ATOM 1470 H ASP A 884 17.149 13.126 36.194 1.00 0.00 H ATOM 1471 N GLY A 885 17.326 11.686 33.467 1.00 11.84 N ATOM 1472 CA GLY A 885 17.046 11.255 32.101 1.00 13.00 C ATOM 1473 C GLY A 885 15.581 11.093 31.754 1.00 11.46 C ATOM 1474 O GLY A 885 14.805 10.506 32.490 1.00 14.47 O ATOM 1475 H GLY A 885 17.092 12.659 33.749 1.00 0.00 H ATOM 1476 N LEU A 886 15.210 11.571 30.580 1.00 11.91 N ATOM 1477 CA LEU A 886 13.961 11.191 29.953 1.00 12.06 C ATOM 1478 C LEU A 886 14.098 9.773 29.392 1.00 11.79 C ATOM 1479 O LEU A 886 15.204 9.261 29.164 1.00 13.51 O ATOM 1480 CB LEU A 886 13.626 12.194 28.846 1.00 12.90 C ATOM 1481 CG LEU A 886 13.250 13.592 29.340 1.00 12.37 C ATOM 1482 CD1 LEU A 886 13.196 14.554 28.174 1.00 15.23 C ATOM 1483 CD2 LEU A 886 11.924 13.610 30.101 1.00 13.83 C ATOM 1484 H LEU A 886 15.835 12.242 30.090 1.00 0.00 H ATOM 1485 N LYS A 887 12.949 9.150 29.123 1.00 12.06 N ATOM 1486 CA LYS A 887 12.964 7.862 28.473 1.00 13.34 C ATOM 1487 C LYS A 887 13.590 7.920 27.085 1.00 12.75 C ATOM 1488 O LYS A 887 14.332 7.018 26.705 1.00 15.46 O ATOM 1489 CB LYS A 887 11.543 7.284 28.422 1.00 14.51 C ATOM 1490 CG LYS A 887 11.400 5.945 27.712 1.00 17.92 C ATOM 1491 CD LYS A 887 12.122 4.812 28.425 1.00 21.99 C ATOM 1492 CE LYS A 887 11.719 3.464 27.835 1.00 29.42 C ATOM 1493 NZ LYS A 887 10.417 2.980 28.365 1.00 47.15 N ATOM 1494 HZ1 LYS A 887 10.483 2.873 29.397 1.00 0.00 H ATOM 1495 HZ2 LYS A 887 9.672 3.668 28.133 1.00 0.00 H ATOM 1496 HZ3 LYS A 887 10.188 2.062 27.934 1.00 0.00 H ATOM 1497 H LYS A 887 12.044 9.592 29.382 1.00 0.00 H ATOM 1498 N SER A 888 13.292 8.980 26.334 1.00 11.87 N ATOM 1499 CA SER A 888 13.895 9.176 25.021 1.00 11.95 C ATOM 1500 C SER A 888 14.559 10.545 24.891 1.00 11.58 C ATOM 1501 O SER A 888 13.926 11.562 24.565 1.00 11.76 O ATOM 1502 CB SER A 888 12.894 8.956 23.874 1.00 13.14 C ATOM 1503 OG SER A 888 13.552 9.157 22.631 1.00 13.15 O ATOM 1504 HG SER A 888 14.300 8.514 22.547 1.00 0.00 H ATOM 1505 H SER A 888 12.614 9.683 26.692 1.00 0.00 H ATOM 1506 N GLN A 889 15.873 10.579 25.114 1.00 11.68 N ATOM 1507 CA GLN A 889 16.636 11.790 24.874 1.00 12.35 C ATOM 1508 C GLN A 889 16.486 12.211 23.413 1.00 11.63 C ATOM 1509 O GLN A 889 16.319 13.396 23.116 1.00 12.49 O ATOM 1510 CB GLN A 889 18.093 11.549 25.218 1.00 13.17 C ATOM 1511 CG GLN A 889 18.982 12.761 25.023 1.00 14.33 C ATOM 1512 CD GLN A 889 20.463 12.416 25.218 1.00 13.33 C ATOM 1513 OE1 GLN A 889 20.809 11.322 25.650 1.00 15.48 O ATOM 1514 NE2 GLN A 889 21.341 13.363 24.917 1.00 16.75 N ATOM 1515 HE22 GLN A 889 21.012 14.280 24.553 1.00 0.00 H ATOM 1516 HE21 GLN A 889 22.358 13.189 25.045 1.00 0.00 H ATOM 1517 H GLN A 889 16.357 9.728 25.464 1.00 0.00 H ATOM 1518 N ALA A 890 16.595 11.244 22.504 1.00 12.02 N ATOM 1519 CA ALA A 890 16.539 11.555 21.081 1.00 12.90 C ATOM 1520 C ALA A 890 15.227 12.229 20.701 1.00 11.81 C ATOM 1521 O ALA A 890 15.225 13.231 19.947 1.00 12.74 O ATOM 1522 CB ALA A 890 16.774 10.303 20.241 1.00 15.28 C ATOM 1523 H ALA A 890 16.721 10.259 22.812 1.00 0.00 H ATOM 1524 N ALA A 891 14.096 11.683 21.143 1.00 12.05 N ATOM 1525 CA ALA A 891 12.813 12.266 20.724 1.00 12.32 C ATOM 1526 C ALA A 891 12.664 13.664 21.294 1.00 11.16 C ATOM 1527 O ALA A 891 12.153 14.561 20.623 1.00 11.95 O ATOM 1528 CB ALA A 891 11.665 11.373 21.149 1.00 13.84 C ATOM 1529 H ALA A 891 14.120 10.857 21.775 1.00 0.00 H ATOM 1530 N PHE A 892 13.087 13.857 22.544 1.00 11.20 N ATOM 1531 CA PHE A 892 13.002 15.169 23.164 1.00 11.04 C ATOM 1532 C PHE A 892 13.855 16.197 22.427 1.00 11.05 C ATOM 1533 O PHE A 892 13.392 17.300 22.141 1.00 11.25 O ATOM 1534 CB PHE A 892 13.441 15.073 24.625 1.00 11.25 C ATOM 1535 CG PHE A 892 13.627 16.411 25.279 1.00 11.01 C ATOM 1536 CD1 PHE A 892 12.515 17.125 25.761 1.00 11.22 C ATOM 1537 CD2 PHE A 892 14.898 16.999 25.391 1.00 12.00 C ATOM 1538 CE1 PHE A 892 12.669 18.366 26.355 1.00 11.37 C ATOM 1539 CE2 PHE A 892 15.051 18.262 25.975 1.00 12.83 C ATOM 1540 CZ PHE A 892 13.940 18.939 26.445 1.00 11.90 C ATOM 1541 H PHE A 892 13.482 13.059 23.082 1.00 0.00 H ATOM 1542 N GLU A 893 15.116 15.855 22.151 1.00 11.41 N ATOM 1543 CA GLU A 893 16.003 16.784 21.482 1.00 12.73 C ATOM 1544 C GLU A 893 15.479 17.139 20.098 1.00 12.12 C ATOM 1545 O GLU A 893 15.633 18.278 19.672 1.00 13.20 O ATOM 1546 CB GLU A 893 17.439 16.263 21.437 1.00 14.58 C ATOM 1547 CG GLU A 893 18.067 16.241 22.837 1.00 16.37 C ATOM 1548 CD GLU A 893 19.524 15.815 22.879 1.00 20.57 C ATOM 1549 OE1 GLU A 893 20.052 15.408 21.831 1.00 27.48 O ATOM 1550 OE2 GLU A 893 20.135 15.894 23.969 1.00 21.70 O ATOM 1551 H GLU A 893 15.464 14.912 22.419 1.00 0.00 H ATOM 1552 N GLU A 894 14.909 16.163 19.384 1.00 12.36 N ATOM 1553 CA GLU A 894 14.355 16.456 18.075 1.00 13.39 C ATOM 1554 C GLU A 894 13.239 17.489 18.173 1.00 11.66 C ATOM 1555 O GLU A 894 13.199 18.452 17.419 1.00 12.62 O ATOM 1556 CB GLU A 894 13.853 15.168 17.466 1.00 14.47 C ATOM 1557 CG GLU A 894 13.174 15.380 16.126 1.00 18.29 C ATOM 1558 CD GLU A 894 12.670 14.106 15.519 1.00 24.83 C ATOM 1559 OE1 GLU A 894 11.977 13.323 16.195 1.00 25.63 O ATOM 1560 OE2 GLU A 894 12.954 13.883 14.337 1.00 36.08 O ATOM 1561 H GLU A 894 14.863 15.197 19.765 1.00 0.00 H ATOM 1562 N MET A 895 12.298 17.275 19.096 1.00 11.53 N ATOM 1563 CA MET A 895 11.168 18.195 19.218 1.00 11.35 C ATOM 1564 C MET A 895 11.650 19.575 19.648 1.00 11.09 C ATOM 1565 O MET A 895 11.203 20.585 19.095 1.00 11.19 O ATOM 1566 CB MET A 895 10.116 17.642 20.171 1.00 11.93 C ATOM 1567 CG MET A 895 8.892 18.536 20.220 1.00 11.98 C ATOM 1568 SD MET A 895 7.677 17.926 21.415 1.00 12.03 S ATOM 1569 CE MET A 895 6.473 19.253 21.300 1.00 13.17 C ATOM 1570 H MET A 895 12.369 16.453 19.729 1.00 0.00 H ATOM 1571 N ARG A 896 12.539 19.625 20.644 1.00 10.55 N ATOM 1572 CA ARG A 896 13.018 20.923 21.107 1.00 11.02 C ATOM 1573 C ARG A 896 13.756 21.671 19.997 1.00 10.87 C ATOM 1574 O ARG A 896 13.535 22.868 19.781 1.00 11.70 O ATOM 1575 CB ARG A 896 13.853 20.776 22.381 1.00 11.29 C ATOM 1576 CG ARG A 896 14.271 22.106 22.979 1.00 12.32 C ATOM 1577 CD ARG A 896 14.836 21.943 24.374 1.00 14.35 C ATOM 1578 NE ARG A 896 15.141 23.232 25.003 1.00 17.45 N ATOM 1579 CZ ARG A 896 16.337 23.794 24.977 1.00 17.18 C ATOM 1580 NH1 ARG A 896 17.339 23.161 24.390 1.00 22.37 N ATOM 1581 NH2 ARG A 896 16.552 24.980 25.552 1.00 22.04 N ATOM 1582 HE ARG A 896 14.374 23.732 25.497 1.00 0.00 H ATOM 1583 HH12 ARG A 896 18.284 23.594 24.364 1.00 0.00 H ATOM 1584 HH11 ARG A 896 17.182 22.230 23.954 1.00 0.00 H ATOM 1585 HH22 ARG A 896 17.499 25.408 25.522 1.00 0.00 H ATOM 1586 HH21 ARG A 896 15.772 25.475 26.029 1.00 0.00 H ATOM 1587 H ARG A 896 12.886 18.749 21.084 1.00 0.00 H ATOM 1588 N THR A 897 14.629 20.955 19.279 1.00 11.86 N ATOM 1589 CA THR A 897 15.334 21.555 18.147 1.00 13.19 C ATOM 1590 C THR A 897 14.347 22.081 17.106 1.00 11.84 C ATOM 1591 O THR A 897 14.509 23.186 16.603 1.00 12.87 O ATOM 1592 CB THR A 897 16.301 20.542 17.508 1.00 15.45 C ATOM 1593 OG1 THR A 897 17.308 20.227 18.462 1.00 18.01 O ATOM 1594 CG2 THR A 897 16.986 21.137 16.268 1.00 18.28 C ATOM 1595 HG1 THR A 897 16.887 19.835 19.268 1.00 0.00 H ATOM 1596 H THR A 897 14.808 19.961 19.529 1.00 0.00 H ATOM 1597 N ASN A 898 13.316 21.297 16.805 1.00 12.08 N ATOM 1598 CA ASN A 898 12.318 21.738 15.835 1.00 12.90 C ATOM 1599 C ASN A 898 11.643 23.035 16.251 1.00 12.02 C ATOM 1600 O ASN A 898 11.457 23.918 15.424 1.00 12.96 O ATOM 1601 CB ASN A 898 11.280 20.642 15.581 1.00 14.07 C ATOM 1602 CG ASN A 898 11.822 19.509 14.734 1.00 16.17 C ATOM 1603 OD1 ASN A 898 12.806 19.686 14.008 1.00 19.50 O ATOM 1604 ND2 ASN A 898 11.172 18.352 14.794 1.00 17.54 N ATOM 1605 HD22 ASN A 898 10.348 18.250 15.421 1.00 0.00 H ATOM 1606 HD21 ASN A 898 11.487 17.548 14.214 1.00 0.00 H ATOM 1607 H ASN A 898 13.220 20.368 17.262 1.00 0.00 H ATOM 1608 N TYR A 899 11.257 23.164 17.524 1.00 11.26 N ATOM 1609 CA TYR A 899 10.590 24.376 17.967 1.00 11.26 C ATOM 1610 C TYR A 899 11.551 25.559 18.065 1.00 11.10 C ATOM 1611 O TYR A 899 11.133 26.685 17.819 1.00 11.69 O ATOM 1612 CB TYR A 899 9.757 24.128 19.224 1.00 11.43 C ATOM 1613 CG TYR A 899 8.428 23.516 18.900 1.00 10.84 C ATOM 1614 CD1 TYR A 899 7.336 24.318 18.579 1.00 11.91 C ATOM 1615 CD2 TYR A 899 8.249 22.128 18.877 1.00 11.07 C ATOM 1616 CE1 TYR A 899 6.108 23.770 18.273 1.00 12.53 C ATOM 1617 CE2 TYR A 899 7.012 21.571 18.563 1.00 11.31 C ATOM 1618 CZ TYR A 899 5.943 22.402 18.272 1.00 11.83 C ATOM 1619 OH TYR A 899 4.702 21.890 17.981 1.00 13.58 O ATOM 1620 HH TYR A 899 4.376 21.359 18.751 1.00 0.00 H ATOM 1621 H TYR A 899 11.435 22.394 18.200 1.00 0.00 H ATOM 1622 N ILE A 900 12.811 25.316 18.422 1.00 10.80 N ATOM 1623 CA ILE A 900 13.789 26.404 18.368 1.00 11.82 C ATOM 1624 C ILE A 900 13.898 26.924 16.919 1.00 11.79 C ATOM 1625 O ILE A 900 13.912 28.138 16.677 1.00 12.81 O ATOM 1626 CB ILE A 900 15.166 25.968 18.921 1.00 12.54 C ATOM 1627 CG1 ILE A 900 15.068 25.700 20.421 1.00 12.69 C ATOM 1628 CG2 ILE A 900 16.205 27.067 18.651 1.00 15.38 C ATOM 1629 CD1 ILE A 900 16.272 24.955 20.971 1.00 14.54 C ATOM 1630 H ILE A 900 13.096 24.366 18.735 1.00 0.00 H ATOM 1631 N LYS A 901 13.975 25.989 15.975 1.00 12.73 N ATOM 1632 CA LYS A 901 14.048 26.358 14.564 1.00 14.45 C ATOM 1633 C LYS A 901 12.777 27.093 14.130 1.00 13.96 C ATOM 1634 O LYS A 901 12.870 28.035 13.346 1.00 15.18 O ATOM 1635 CB LYS A 901 14.273 25.121 13.702 1.00 17.54 C ATOM 1636 CG LYS A 901 15.688 24.598 13.786 1.00 21.77 C ATOM 1637 CD LYS A 901 15.845 23.325 12.980 1.00 26.50 C ATOM 1638 CE LYS A 901 17.288 22.853 12.989 1.00 35.13 C ATOM 1639 NZ LYS A 901 17.447 21.593 12.209 1.00 48.73 N ATOM 1640 HZ1 LYS A 901 16.851 20.850 12.627 1.00 0.00 H ATOM 1641 HZ2 LYS A 901 17.157 21.758 11.224 1.00 0.00 H ATOM 1642 HZ3 LYS A 901 18.443 21.295 12.233 1.00 0.00 H ATOM 1643 H LYS A 901 13.983 24.985 16.245 1.00 0.00 H ATOM 1644 N GLU A 902 11.599 26.695 14.617 1.00 13.92 N ATOM 1645 CA GLU A 902 10.364 27.419 14.287 1.00 14.29 C ATOM 1646 C GLU A 902 10.456 28.866 14.753 1.00 12.55 C ATOM 1647 O GLU A 902 10.085 29.768 14.017 1.00 14.08 O ATOM 1648 CB GLU A 902 9.149 26.752 14.969 1.00 16.48 C ATOM 1649 CG GLU A 902 8.699 25.399 14.436 1.00 20.27 C ATOM 1650 CD GLU A 902 7.945 25.466 13.117 1.00 23.34 C ATOM 1651 OE1 GLU A 902 7.550 26.563 12.657 1.00 26.23 O ATOM 1652 OE2 GLU A 902 7.721 24.379 12.564 1.00 27.26 O ATOM 1653 H GLU A 902 11.555 25.862 15.238 1.00 0.00 H ATOM 1654 N LEU A 903 10.945 29.081 15.973 1.00 12.62 N ATOM 1655 CA LEU A 903 11.047 30.447 16.471 1.00 12.77 C ATOM 1656 C LEU A 903 12.061 31.233 15.653 1.00 12.25 C ATOM 1657 O LEU A 903 11.820 32.369 15.281 1.00 12.89 O ATOM 1658 CB LEU A 903 11.433 30.447 17.961 1.00 12.20 C ATOM 1659 CG LEU A 903 11.387 31.831 18.607 1.00 12.75 C ATOM 1660 CD1 LEU A 903 9.995 32.434 18.590 1.00 13.97 C ATOM 1661 CD2 LEU A 903 11.909 31.758 20.029 1.00 14.51 C ATOM 1662 H LEU A 903 11.251 28.282 16.564 1.00 0.00 H ATOM 1663 N ARG A 904 13.213 30.620 15.400 1.00 12.61 N ATOM 1664 CA ARG A 904 14.268 31.310 14.657 1.00 14.85 C ATOM 1665 C ARG A 904 13.803 31.694 13.277 1.00 14.45 C ATOM 1666 O ARG A 904 14.022 32.814 12.819 1.00 16.57 O ATOM 1667 CB ARG A 904 15.478 30.414 14.559 1.00 17.18 C ATOM 1668 CG ARG A 904 16.667 31.051 13.853 1.00 24.74 C ATOM 1669 CD ARG A 904 17.682 29.998 13.444 1.00 31.20 C ATOM 1670 NE ARG A 904 17.119 29.029 12.508 1.00 33.97 N ATOM 1671 CZ ARG A 904 17.712 27.890 12.169 1.00 27.80 C ATOM 1672 NH1 ARG A 904 18.881 27.573 12.710 1.00 28.57 N ATOM 1673 NH2 ARG A 904 17.129 27.056 11.308 1.00 34.15 N ATOM 1674 HE ARG A 904 16.196 29.244 12.080 1.00 0.00 H ATOM 1675 HH12 ARG A 904 19.351 26.683 12.449 1.00 0.00 H ATOM 1676 HH11 ARG A 904 19.328 28.215 13.395 1.00 0.00 H ATOM 1677 HH22 ARG A 904 17.599 26.166 11.047 1.00 0.00 H ATOM 1678 HH21 ARG A 904 16.204 27.296 10.897 1.00 0.00 H ATOM 1679 H ARG A 904 13.365 29.646 15.731 1.00 0.00 H ATOM 1680 N LYS A 905 13.127 30.773 12.612 1.00 15.77 N ATOM 1681 CA LYS A 905 12.670 31.032 11.258 1.00 19.15 C ATOM 1682 C LYS A 905 11.626 32.132 11.263 1.00 18.70 C ATOM 1683 O LYS A 905 11.692 33.050 10.461 1.00 21.97 O ATOM 1684 CB LYS A 905 12.161 29.735 10.636 1.00 24.20 C ATOM 1685 CG LYS A 905 13.318 28.810 10.259 1.00 33.43 C ATOM 1686 CD LYS A 905 12.894 27.410 9.850 1.00 44.64 C ATOM 1687 CE LYS A 905 14.124 26.520 9.737 1.00 38.31 C ATOM 1688 NZ LYS A 905 13.782 25.084 9.540 1.00 60.91 N ATOM 1689 HZ1 LYS A 905 13.220 24.749 10.348 1.00 0.00 H ATOM 1690 HZ2 LYS A 905 13.231 24.977 8.665 1.00 0.00 H ATOM 1691 HZ3 LYS A 905 14.657 24.527 9.470 1.00 0.00 H ATOM 1692 H LYS A 905 12.921 29.858 13.061 1.00 0.00 H ATOM 1693 N MET A 906 10.676 32.057 12.188 1.00 17.69 N ATOM 1694 CA MET A 906 9.619 33.065 12.277 1.00 20.02 C ATOM 1695 C MET A 906 10.207 34.463 12.503 1.00 17.01 C ATOM 1696 O MET A 906 9.859 35.404 11.801 1.00 20.90 O ATOM 1697 CB MET A 906 8.640 32.705 13.385 1.00 20.71 C ATOM 1698 CG MET A 906 7.655 33.789 13.771 1.00 22.37 C ATOM 1699 SD MET A 906 6.944 33.333 15.362 1.00 20.85 S ATOM 1700 CE MET A 906 6.159 31.794 14.896 1.00 21.52 C ATOM 1701 H MET A 906 10.683 31.266 12.863 1.00 0.00 H ATOM 1702 N VAL A 907 11.114 34.595 13.440 1.00 13.99 N ATOM 1703 CA VAL A 907 11.654 35.879 13.792 1.00 13.53 C ATOM 1704 C VAL A 907 12.563 36.439 12.683 1.00 13.13 C ATOM 1705 O VAL A 907 12.439 37.601 12.308 1.00 14.02 O ATOM 1706 CB VAL A 907 12.422 35.774 15.120 1.00 13.42 C ATOM 1707 CG1 VAL A 907 13.122 37.088 15.443 1.00 14.85 C ATOM 1708 CG2 VAL A 907 11.462 35.419 16.258 1.00 14.03 C ATOM 1709 H VAL A 907 11.451 33.749 13.941 1.00 0.00 H ATOM 1710 N THR A 908 13.450 35.604 12.149 1.00 13.58 N ATOM 1711 CA THR A 908 14.431 36.071 11.184 1.00 14.84 C ATOM 1712 C THR A 908 13.866 36.265 9.783 1.00 15.08 C ATOM 1713 O THR A 908 14.463 36.975 8.985 1.00 16.59 O ATOM 1714 CB THR A 908 15.706 35.219 11.140 1.00 16.98 C ATOM 1715 OG1 THR A 908 15.370 33.909 10.701 1.00 18.08 O ATOM 1716 CG2 THR A 908 16.398 35.159 12.519 1.00 18.60 C ATOM 1717 HG1 THR A 908 14.720 33.508 11.331 1.00 0.00 H ATOM 1718 H THR A 908 13.441 34.602 12.426 1.00 0.00 H ATOM 1719 N LYS A 909 12.702 35.686 9.478 1.00 15.28 N ATOM 1720 CA LYS A 909 12.079 35.887 8.173 1.00 16.40 C ATOM 1721 C LYS A 909 11.001 36.967 8.191 1.00 17.53 C ATOM 1722 O LYS A 909 10.500 37.346 7.148 1.00 22.52 O ATOM 1723 CB LYS A 909 11.551 34.567 7.602 1.00 18.90 C ATOM 1724 CG LYS A 909 12.648 33.539 7.356 1.00 22.30 C ATOM 1725 CD LYS A 909 12.107 32.278 6.703 1.00 28.53 C ATOM 1726 CE LYS A 909 13.212 31.319 6.296 1.00 35.55 C ATOM 1727 NZ LYS A 909 14.010 31.842 5.149 1.00 39.26 N ATOM 1728 HZ1 LYS A 909 13.385 31.985 4.330 1.00 0.00 H ATOM 1729 HZ2 LYS A 909 14.446 32.747 5.416 1.00 0.00 H ATOM 1730 HZ3 LYS A 909 14.753 31.157 4.904 1.00 0.00 H ATOM 1731 H LYS A 909 12.231 35.082 10.182 1.00 0.00 H ATOM 1732 N CYS A 910 10.657 37.488 9.364 1.00 16.11 N ATOM 1733 CA CYS A 910 9.608 38.491 9.441 1.00 17.02 C ATOM 1734 C CYS A 910 10.103 39.846 8.980 1.00 15.97 C ATOM 1735 O CYS A 910 11.034 40.383 9.557 1.00 16.96 O ATOM 1736 CB CYS A 910 9.096 38.600 10.875 1.00 18.61 C ATOM 1737 SG CYS A 910 7.753 39.808 11.012 1.00 22.82 S ATOM 1738 H CYS A 910 11.140 37.177 10.231 1.00 0.00 H ATOM 1739 N PRO A 911 9.454 40.423 7.954 1.00 17.34 N ATOM 1740 CA PRO A 911 9.916 41.734 7.486 1.00 20.20 C ATOM 1741 C PRO A 911 9.862 42.839 8.533 1.00 18.68 C ATOM 1742 O PRO A 911 10.578 43.823 8.379 1.00 21.18 O ATOM 1743 CB PRO A 911 8.967 42.066 6.331 1.00 23.59 C ATOM 1744 CG PRO A 911 8.435 40.761 5.875 1.00 33.40 C ATOM 1745 CD PRO A 911 8.382 39.879 7.095 1.00 21.86 C ATOM 1746 N ASN A 912 9.021 42.701 9.572 1.00 19.54 N ATOM 1747 CA ASN A 912 9.009 43.715 10.619 1.00 22.23 C ATOM 1748 C ASN A 912 10.292 43.762 11.444 1.00 17.29 C ATOM 1749 O ASN A 912 10.569 44.748 12.114 1.00 22.18 O ATOM 1750 CB ASN A 912 7.811 43.596 11.549 1.00 25.30 C ATOM 1751 CG ASN A 912 7.454 44.937 12.178 1.00 34.67 C ATOM 1752 OD1 ASN A 912 7.557 45.995 11.529 1.00 40.15 O ATOM 1753 ND2 ASN A 912 7.063 44.912 13.439 1.00 42.26 N ATOM 1754 HD22 ASN A 912 6.991 44.005 13.943 1.00 0.00 H ATOM 1755 HD21 ASN A 912 6.827 45.799 13.928 1.00 0.00 H ATOM 1756 H ASN A 912 8.386 41.880 9.628 1.00 0.00 H ATOM 1757 N ASN A 913 11.098 42.706 11.355 1.00 15.31 N ATOM 1758 CA ASN A 913 12.299 42.604 12.159 1.00 14.57 C ATOM 1759 C ASN A 913 13.571 42.836 11.365 1.00 14.15 C ATOM 1760 O ASN A 913 14.663 42.663 11.897 1.00 14.43 O ATOM 1761 CB ASN A 913 12.397 41.225 12.797 1.00 14.99 C ATOM 1762 CG ASN A 913 11.223 40.900 13.671 1.00 14.98 C ATOM 1763 OD1 ASN A 913 10.596 41.780 14.267 1.00 16.53 O ATOM 1764 ND2 ASN A 913 10.901 39.634 13.730 1.00 15.36 N ATOM 1765 HD22 ASN A 913 11.462 38.930 13.209 1.00 0.00 H ATOM 1766 HD21 ASN A 913 10.084 39.331 14.298 1.00 0.00 H ATOM 1767 H ASN A 913 10.861 41.938 10.695 1.00 0.00 H ATOM 1768 N SER A 914 13.440 43.218 10.102 1.00 14.64 N ATOM 1769 CA SER A 914 14.609 43.324 9.236 1.00 14.82 C ATOM 1770 C SER A 914 15.692 44.214 9.826 1.00 14.09 C ATOM 1771 O SER A 914 15.425 45.305 10.321 1.00 15.10 O ATOM 1772 CB SER A 914 14.198 43.901 7.891 1.00 17.78 C ATOM 1773 OG SER A 914 13.166 43.154 7.323 1.00 22.06 O ATOM 1774 HG SER A 914 13.470 42.221 7.190 1.00 0.00 H ATOM 1775 H SER A 914 12.497 43.444 9.726 1.00 0.00 H ATOM 1776 N GLY A 915 16.931 43.739 9.744 1.00 13.85 N ATOM 1777 CA GLY A 915 18.092 44.435 10.261 1.00 14.60 C ATOM 1778 C GLY A 915 18.380 44.166 11.738 1.00 14.32 C ATOM 1779 O GLY A 915 19.453 44.490 12.205 1.00 16.77 O ATOM 1780 H GLY A 915 17.075 42.818 9.284 1.00 0.00 H ATOM 1781 N GLN A 916 17.418 43.566 12.452 1.00 13.61 N ATOM 1782 CA GLN A 916 17.521 43.392 13.897 1.00 15.94 C ATOM 1783 C GLN A 916 17.022 42.021 14.341 1.00 13.33 C ATOM 1784 O GLN A 916 16.784 41.820 15.548 1.00 14.67 O ATOM 1785 CB GLN A 916 16.688 44.461 14.646 1.00 21.21 C ATOM 1786 CG GLN A 916 16.964 45.903 14.304 1.00 28.55 C ATOM 1787 CD GLN A 916 16.034 46.815 15.063 1.00 35.17 C ATOM 1788 OE1 GLN A 916 15.037 47.276 14.531 1.00 58.00 O ATOM 1789 NE2 GLN A 916 16.326 47.023 16.329 1.00 43.42 N ATOM 1790 HE22 GLN A 916 17.188 46.609 16.739 1.00 0.00 H ATOM 1791 HE21 GLN A 916 15.695 47.601 16.920 1.00 0.00 H ATOM 1792 H GLN A 916 16.572 43.213 11.961 1.00 0.00 H ATOM 1793 N SER A 917 16.804 41.100 13.411 1.00 12.40 N ATOM 1794 CA SER A 917 16.070 39.886 13.785 1.00 12.36 C ATOM 1795 C SER A 917 16.831 38.950 14.719 1.00 11.35 C ATOM 1796 O SER A 917 16.233 38.374 15.621 1.00 12.38 O ATOM 1797 CB SER A 917 15.566 39.137 12.542 1.00 13.46 C ATOM 1798 OG SER A 917 16.622 38.511 11.840 1.00 13.16 O ATOM 1799 HG SER A 917 16.258 38.041 11.049 1.00 0.00 H ATOM 1800 H SER A 917 17.146 41.236 12.438 1.00 0.00 H ATOM 1801 N TRP A 918 18.135 38.797 14.544 1.00 11.36 N ATOM 1802 CA TRP A 918 18.888 37.960 15.480 1.00 11.65 C ATOM 1803 C TRP A 918 18.925 38.606 16.859 1.00 11.78 C ATOM 1804 O TRP A 918 18.855 37.896 17.870 1.00 12.89 O ATOM 1805 CB TRP A 918 20.280 37.646 14.940 1.00 12.45 C ATOM 1806 CG TRP A 918 20.239 36.561 13.919 1.00 11.87 C ATOM 1807 CD1 TRP A 918 20.109 36.683 12.572 1.00 13.17 C ATOM 1808 CD2 TRP A 918 20.298 35.157 14.179 1.00 15.39 C ATOM 1809 NE1 TRP A 918 20.089 35.453 11.974 1.00 13.40 N ATOM 1810 CE2 TRP A 918 20.193 34.494 12.936 1.00 15.22 C ATOM 1811 CE3 TRP A 918 20.422 34.395 15.339 1.00 21.82 C ATOM 1812 CZ2 TRP A 918 20.232 33.111 12.817 1.00 20.33 C ATOM 1813 CZ3 TRP A 918 20.465 33.034 15.223 1.00 27.44 C ATOM 1814 CH2 TRP A 918 20.371 32.395 13.977 1.00 25.84 C ATOM 1815 HE1 TRP A 918 20.008 35.278 10.952 1.00 0.00 H ATOM 1816 H TRP A 918 18.618 39.266 13.751 1.00 0.00 H ATOM 1817 N GLN A 919 19.044 39.929 16.928 1.00 12.58 N ATOM 1818 CA GLN A 919 18.982 40.608 18.222 1.00 13.64 C ATOM 1819 C GLN A 919 17.634 40.326 18.894 1.00 13.01 C ATOM 1820 O GLN A 919 17.567 40.063 20.092 1.00 13.93 O ATOM 1821 CB GLN A 919 19.188 42.115 18.067 1.00 16.48 C ATOM 1822 CG GLN A 919 18.860 42.919 19.318 1.00 24.69 C ATOM 1823 CD GLN A 919 19.881 42.703 20.420 1.00 43.31 C ATOM 1824 OE1 GLN A 919 19.583 42.852 21.607 1.00 40.17 O ATOM 1825 NE2 GLN A 919 21.093 42.342 20.030 1.00 45.59 N ATOM 1826 HE22 GLN A 919 21.301 42.228 19.017 1.00 0.00 H ATOM 1827 HE21 GLN A 919 21.838 42.172 20.736 1.00 0.00 H ATOM 1828 H GLN A 919 19.182 40.483 16.059 1.00 0.00 H ATOM 1829 N ARG A 920 16.552 40.361 18.125 1.00 12.67 N ATOM 1830 CA ARG A 920 15.245 40.055 18.698 1.00 12.62 C ATOM 1831 C ARG A 920 15.203 38.615 19.165 1.00 12.00 C ATOM 1832 O ARG A 920 14.707 38.341 20.259 1.00 12.50 O ATOM 1833 CB ARG A 920 14.134 40.342 17.681 1.00 13.33 C ATOM 1834 CG ARG A 920 12.763 40.103 18.288 1.00 13.19 C ATOM 1835 CD ARG A 920 11.653 40.423 17.295 1.00 14.22 C ATOM 1836 NE ARG A 920 10.335 40.230 17.921 1.00 13.64 N ATOM 1837 CZ ARG A 920 9.733 41.140 18.684 1.00 14.12 C ATOM 1838 NH1 ARG A 920 10.304 42.315 18.929 1.00 15.82 N ATOM 1839 NH2 ARG A 920 8.553 40.859 19.246 1.00 14.99 N ATOM 1840 HE ARG A 920 9.844 39.328 17.757 1.00 0.00 H ATOM 1841 HH12 ARG A 920 9.819 43.014 19.527 1.00 0.00 H ATOM 1842 HH11 ARG A 920 11.235 42.535 18.522 1.00 0.00 H ATOM 1843 HH22 ARG A 920 8.079 41.567 19.843 1.00 0.00 H ATOM 1844 HH21 ARG A 920 8.109 39.932 19.087 1.00 0.00 H ATOM 1845 H ARG A 920 16.636 40.606 17.118 1.00 0.00 H ATOM 1846 N PHE A 921 15.688 37.696 18.345 1.00 11.85 N ATOM 1847 CA PHE A 921 15.708 36.302 18.735 1.00 12.34 C ATOM 1848 C PHE A 921 16.430 36.075 20.061 1.00 12.53 C ATOM 1849 O PHE A 921 15.934 35.359 20.945 1.00 13.47 O ATOM 1850 CB PHE A 921 16.310 35.466 17.613 1.00 12.91 C ATOM 1851 CG PHE A 921 16.386 33.996 17.925 1.00 13.31 C ATOM 1852 CD1 PHE A 921 15.249 33.205 17.913 1.00 15.21 C ATOM 1853 CD2 PHE A 921 17.585 33.411 18.248 1.00 19.82 C ATOM 1854 CE1 PHE A 921 15.323 31.857 18.179 1.00 15.73 C ATOM 1855 CE2 PHE A 921 17.661 32.059 18.550 1.00 20.89 C ATOM 1856 CZ PHE A 921 16.527 31.275 18.491 1.00 18.01 C ATOM 1857 H PHE A 921 16.057 37.977 17.414 1.00 0.00 H ATOM 1858 N TYR A 922 17.571 36.725 20.216 1.00 12.66 N ATOM 1859 CA TYR A 922 18.251 36.612 21.477 1.00 13.95 C ATOM 1860 C TYR A 922 17.525 37.256 22.658 1.00 12.50 C ATOM 1861 O TYR A 922 17.556 36.728 23.762 1.00 14.21 O ATOM 1862 CB TYR A 922 19.698 36.999 21.324 1.00 19.45 C ATOM 1863 CG TYR A 922 20.441 35.993 20.450 1.00 17.64 C ATOM 1864 CD1 TYR A 922 20.350 34.600 20.671 1.00 19.16 C ATOM 1865 CD2 TYR A 922 21.247 36.434 19.412 1.00 19.47 C ATOM 1866 CE1 TYR A 922 21.049 33.701 19.879 1.00 23.17 C ATOM 1867 CE2 TYR A 922 21.971 35.541 18.642 1.00 19.17 C ATOM 1868 CZ TYR A 922 21.852 34.179 18.863 1.00 21.90 C ATOM 1869 OH TYR A 922 22.552 33.291 18.080 1.00 27.55 O ATOM 1870 HH TYR A 922 22.352 32.366 18.372 1.00 0.00 H ATOM 1871 H TYR A 922 17.966 37.302 19.446 1.00 0.00 H ATOM 1872 N GLN A 923 16.812 38.356 22.434 1.00 12.47 N ATOM 1873 CA GLN A 923 15.977 38.890 23.507 1.00 12.71 C ATOM 1874 C GLN A 923 14.854 37.919 23.902 1.00 11.85 C ATOM 1875 O GLN A 923 14.544 37.782 25.084 1.00 12.66 O ATOM 1876 CB GLN A 923 15.422 40.263 23.147 1.00 13.78 C ATOM 1877 CG GLN A 923 16.529 41.292 22.975 1.00 18.50 C ATOM 1878 CD GLN A 923 16.020 42.708 22.956 1.00 25.80 C ATOM 1879 OE1 GLN A 923 14.984 43.016 23.542 1.00 35.52 O ATOM 1880 NE2 GLN A 923 16.755 43.586 22.296 1.00 28.31 N ATOM 1881 HE22 GLN A 923 17.625 43.279 21.815 1.00 0.00 H ATOM 1882 HE21 GLN A 923 16.464 44.584 22.258 1.00 0.00 H ATOM 1883 H GLN A 923 16.848 38.829 21.509 1.00 0.00 H ATOM 1884 N LEU A 924 14.245 37.244 22.919 1.00 12.10 N ATOM 1885 CA LEU A 924 13.209 36.277 23.233 1.00 11.17 C ATOM 1886 C LEU A 924 13.749 35.091 24.013 1.00 11.34 C ATOM 1887 O LEU A 924 13.116 34.639 24.975 1.00 12.15 O ATOM 1888 CB LEU A 924 12.518 35.824 21.954 1.00 12.13 C ATOM 1889 CG LEU A 924 11.800 36.894 21.130 1.00 12.59 C ATOM 1890 CD1 LEU A 924 11.150 36.276 19.910 1.00 15.70 C ATOM 1891 CD2 LEU A 924 10.754 37.615 21.945 1.00 14.99 C ATOM 1892 H LEU A 924 14.515 37.413 21.929 1.00 0.00 H ATOM 1893 N THR A 925 14.910 34.574 23.626 1.00 11.98 N ATOM 1894 CA THR A 925 15.490 33.471 24.361 1.00 11.90 C ATOM 1895 C THR A 925 16.000 33.881 25.746 1.00 11.43 C ATOM 1896 O THR A 925 15.917 33.102 26.689 1.00 11.87 O ATOM 1897 CB THR A 925 16.542 32.737 23.523 1.00 13.74 C ATOM 1898 OG1 THR A 925 17.535 33.666 23.085 1.00 16.00 O ATOM 1899 CG2 THR A 925 15.894 32.019 22.324 1.00 15.87 C ATOM 1900 HG1 THR A 925 17.969 34.079 23.873 1.00 0.00 H ATOM 1901 H THR A 925 15.401 34.962 22.796 1.00 0.00 H ATOM 1902 N LYS A 926 16.483 35.109 25.897 1.00 11.89 N ATOM 1903 CA LYS A 926 16.802 35.623 27.227 1.00 12.60 C ATOM 1904 C LYS A 926 15.543 35.722 28.091 1.00 11.45 C ATOM 1905 O LYS A 926 15.578 35.427 29.282 1.00 12.42 O ATOM 1906 CB LYS A 926 17.473 36.987 27.120 1.00 14.85 C ATOM 1907 CG LYS A 926 18.953 36.962 26.754 1.00 21.43 C ATOM 1908 CD LYS A 926 19.816 36.215 27.771 1.00 31.21 C ATOM 1909 CE LYS A 926 20.307 37.050 28.941 1.00 40.52 C ATOM 1910 NZ LYS A 926 21.267 36.242 29.763 1.00 31.01 N ATOM 1911 HZ1 LYS A 926 20.786 35.392 30.120 1.00 0.00 H ATOM 1912 HZ2 LYS A 926 22.076 35.961 29.173 1.00 0.00 H ATOM 1913 HZ3 LYS A 926 21.603 36.814 30.564 1.00 0.00 H ATOM 1914 H LYS A 926 16.635 35.710 25.062 1.00 0.00 H ATOM 1915 N LEU A 927 14.432 36.140 27.501 1.00 11.52 N ATOM 1916 CA LEU A 927 13.165 36.202 28.211 1.00 12.31 C ATOM 1917 C LEU A 927 12.742 34.800 28.676 1.00 11.50 C ATOM 1918 O LEU A 927 12.323 34.609 29.824 1.00 12.60 O ATOM 1919 CB LEU A 927 12.104 36.836 27.301 1.00 12.89 C ATOM 1920 CG LEU A 927 10.691 36.949 27.878 1.00 14.78 C ATOM 1921 CD1 LEU A 927 10.672 37.785 29.147 1.00 17.30 C ATOM 1922 CD2 LEU A 927 9.770 37.565 26.838 1.00 13.12 C ATOM 1923 H LEU A 927 14.468 36.431 26.503 1.00 0.00 H ATOM 1924 N LEU A 928 12.880 33.804 27.797 1.00 11.22 N ATOM 1925 CA LEU A 928 12.600 32.414 28.201 1.00 11.62 C ATOM 1926 C LEU A 928 13.477 32.016 29.392 1.00 10.92 C ATOM 1927 O LEU A 928 12.977 31.465 30.372 1.00 11.75 O ATOM 1928 CB LEU A 928 12.786 31.448 27.039 1.00 12.04 C ATOM 1929 CG LEU A 928 11.761 31.565 25.906 1.00 13.23 C ATOM 1930 CD1 LEU A 928 12.180 30.694 24.728 1.00 18.18 C ATOM 1931 CD2 LEU A 928 10.385 31.151 26.393 1.00 18.62 C ATOM 1932 H LEU A 928 13.186 34.010 26.825 1.00 0.00 H ATOM 1933 N ASP A 929 14.774 32.314 29.331 1.00 11.07 N ATOM 1934 CA ASP A 929 15.644 31.996 30.451 1.00 11.52 C ATOM 1935 C ASP A 929 15.152 32.638 31.733 1.00 11.91 C ATOM 1936 O ASP A 929 15.234 32.021 32.801 1.00 12.83 O ATOM 1937 CB ASP A 929 17.082 32.453 30.160 1.00 12.65 C ATOM 1938 CG ASP A 929 17.847 31.544 29.199 1.00 12.92 C ATOM 1939 OD1 ASP A 929 17.300 30.537 28.706 1.00 13.18 O ATOM 1940 OD2 ASP A 929 19.022 31.882 28.929 1.00 14.71 O ATOM 1941 H ASP A 929 15.163 32.774 28.483 1.00 0.00 H ATOM 1942 N SER A 930 14.702 33.886 31.649 1.00 12.04 N ATOM 1943 CA SER A 930 14.264 34.581 32.848 1.00 12.59 C ATOM 1944 C SER A 930 13.031 33.963 33.487 1.00 12.53 C ATOM 1945 O SER A 930 12.792 34.166 34.684 1.00 13.45 O ATOM 1946 CB SER A 930 14.039 36.071 32.583 1.00 11.98 C ATOM 1947 OG SER A 930 12.821 36.310 31.909 1.00 11.06 O ATOM 1948 HG SER A 930 12.829 35.838 31.039 1.00 0.00 H ATOM 1949 H SER A 930 14.663 34.365 30.726 1.00 0.00 H ATOM 1950 N MET A 931 12.270 33.172 32.733 1.00 11.58 N ATOM 1951 CA MET A 931 11.131 32.477 33.326 1.00 11.82 C ATOM 1952 C MET A 931 11.583 31.502 34.403 1.00 11.41 C ATOM 1953 O MET A 931 10.868 31.302 35.367 1.00 12.54 O ATOM 1954 CB MET A 931 10.309 31.751 32.276 1.00 12.47 C ATOM 1955 CG MET A 931 9.533 32.663 31.347 1.00 13.03 C ATOM 1956 SD MET A 931 8.221 33.616 32.150 1.00 13.35 S ATOM 1957 CE MET A 931 7.100 32.300 32.608 1.00 13.72 C ATOM 1958 H MET A 931 12.487 33.049 31.723 1.00 0.00 H ATOM 1959 N HIS A 932 12.758 30.875 34.253 1.00 12.10 N ATOM 1960 CA HIS A 932 13.186 29.918 35.268 1.00 11.74 C ATOM 1961 C HIS A 932 13.314 30.561 36.641 1.00 11.56 C ATOM 1962 O HIS A 932 12.937 29.952 37.643 1.00 11.91 O ATOM 1963 CB HIS A 932 14.518 29.268 34.901 1.00 12.31 C ATOM 1964 CG HIS A 932 14.448 28.243 33.824 1.00 12.29 C ATOM 1965 ND1 HIS A 932 13.574 27.183 33.878 1.00 13.05 N ATOM 1966 CD2 HIS A 932 15.205 28.066 32.717 1.00 13.28 C ATOM 1967 CE1 HIS A 932 13.799 26.386 32.849 1.00 13.58 C ATOM 1968 NE2 HIS A 932 14.785 26.903 32.128 1.00 13.01 N ATOM 1969 H HIS A 932 13.356 31.068 33.425 1.00 0.00 H ATOM 1970 N ASP A 933 13.862 31.771 36.707 1.00 14.23 N ATOM 1971 CA ASP A 933 14.063 32.510 37.948 1.00 16.70 C ATOM 1972 C ASP A 933 12.712 32.698 38.671 1.00 14.26 C ATOM 1973 O ASP A 933 12.522 32.426 39.871 1.00 15.11 O ATOM 1974 CB ASP A 933 14.700 33.892 37.608 1.00 17.59 C ATOM 1975 CG ASP A 933 16.024 33.777 36.800 1.00 14.45 C ATOM 1976 OD1 ASP A 933 16.732 32.752 36.943 1.00 16.87 O ATOM 1977 OD2 ASP A 933 16.388 34.708 36.010 1.00 16.72 O ATOM 1978 H ASP A 933 14.166 32.218 35.818 1.00 0.00 H ATOM 1979 N LEU A 934 11.767 33.246 37.914 1.00 13.51 N ATOM 1980 CA LEU A 934 10.455 33.555 38.438 1.00 12.44 C ATOM 1981 C LEU A 934 9.719 32.291 38.842 1.00 10.13 C ATOM 1982 O LEU A 934 9.142 32.218 39.927 1.00 10.66 O ATOM 1983 CB LEU A 934 9.646 34.321 37.379 1.00 13.90 C ATOM 1984 CG LEU A 934 8.149 34.526 37.733 1.00 15.24 C ATOM 1985 CD1 LEU A 934 7.948 35.369 38.988 1.00 16.09 C ATOM 1986 CD2 LEU A 934 7.382 35.117 36.559 1.00 18.43 C ATOM 1987 H LEU A 934 11.977 33.458 36.918 1.00 0.00 H ATOM 1988 N VAL A 935 9.733 31.306 37.958 1.00 10.28 N ATOM 1989 CA VAL A 935 8.981 30.087 38.193 1.00 9.68 C ATOM 1990 C VAL A 935 9.524 29.312 39.390 1.00 9.60 C ATOM 1991 O VAL A 935 8.754 28.767 40.173 1.00 10.19 O ATOM 1992 CB VAL A 935 8.922 29.255 36.927 1.00 10.62 C ATOM 1993 CG1 VAL A 935 8.359 27.850 37.210 1.00 11.84 C ATOM 1994 CG2 VAL A 935 8.062 29.980 35.894 1.00 11.78 C ATOM 1995 H VAL A 935 10.289 31.407 37.085 1.00 0.00 H ATOM 1996 N SER A 936 10.850 29.282 39.562 1.00 10.01 N ATOM 1997 CA SER A 936 11.403 28.648 40.752 1.00 11.13 C ATOM 1998 C SER A 936 10.833 29.291 42.015 1.00 10.33 C ATOM 1999 O SER A 936 10.462 28.584 42.962 1.00 11.00 O ATOM 2000 CB SER A 936 12.928 28.749 40.726 1.00 12.27 C ATOM 2001 OG SER A 936 13.496 28.137 41.848 1.00 16.67 O ATOM 2002 HG SER A 936 14.482 28.218 41.803 1.00 0.00 H ATOM 2003 H SER A 936 11.481 29.707 38.853 1.00 0.00 H ATOM 2004 N ASP A 937 10.787 30.625 42.041 1.00 10.52 N ATOM 2005 CA ASP A 937 10.265 31.340 43.195 1.00 10.85 C ATOM 2006 C ASP A 937 8.775 31.051 43.402 1.00 9.82 C ATOM 2007 O ASP A 937 8.320 30.844 44.549 1.00 10.64 O ATOM 2008 CB ASP A 937 10.470 32.852 43.030 1.00 12.57 C ATOM 2009 CG ASP A 937 11.911 33.301 43.079 1.00 15.02 C ATOM 2010 OD1 ASP A 937 12.782 32.541 43.533 1.00 15.51 O ATOM 2011 OD2 ASP A 937 12.167 34.464 42.662 1.00 19.56 O ATOM 2012 H ASP A 937 11.131 31.163 41.220 1.00 0.00 H ATOM 2013 N LEU A 938 7.995 31.053 42.327 1.00 9.82 N ATOM 2014 CA LEU A 938 6.564 30.734 42.439 1.00 9.46 C ATOM 2015 C LEU A 938 6.367 29.334 42.996 1.00 9.52 C ATOM 2016 O LEU A 938 5.543 29.131 43.885 1.00 9.97 O ATOM 2017 CB LEU A 938 5.885 30.845 41.063 1.00 10.50 C ATOM 2018 CG LEU A 938 5.756 32.280 40.493 1.00 10.61 C ATOM 2019 CD1 LEU A 938 5.421 32.219 39.008 1.00 12.17 C ATOM 2020 CD2 LEU A 938 4.682 33.078 41.249 1.00 11.86 C ATOM 2021 H LEU A 938 8.400 31.282 41.397 1.00 0.00 H ATOM 2022 N LEU A 939 7.096 28.363 42.445 1.00 9.58 N ATOM 2023 CA LEU A 939 6.982 26.990 42.898 1.00 9.61 C ATOM 2024 C LEU A 939 7.372 26.847 44.353 1.00 9.73 C ATOM 2025 O LEU A 939 6.713 26.112 45.093 1.00 10.54 O ATOM 2026 CB LEU A 939 7.836 26.077 42.033 1.00 10.34 C ATOM 2027 CG LEU A 939 7.261 25.764 40.642 1.00 10.52 C ATOM 2028 CD1 LEU A 939 8.326 25.065 39.812 1.00 12.71 C ATOM 2029 CD2 LEU A 939 5.979 24.945 40.764 1.00 12.00 C ATOM 2030 H LEU A 939 7.758 28.594 41.677 1.00 0.00 H ATOM 2031 N GLU A 940 8.428 27.531 44.808 1.00 9.88 N ATOM 2032 CA GLU A 940 8.787 27.379 46.209 1.00 10.43 C ATOM 2033 C GLU A 940 7.647 27.805 47.126 1.00 10.35 C ATOM 2034 O GLU A 940 7.364 27.165 48.143 1.00 10.96 O ATOM 2035 CB GLU A 940 10.099 28.101 46.557 1.00 10.47 C ATOM 2036 CG GLU A 940 11.328 27.379 46.046 1.00 11.95 C ATOM 2037 CD GLU A 940 11.435 25.970 46.609 1.00 11.66 C ATOM 2038 OE1 GLU A 940 11.421 25.811 47.854 1.00 12.15 O ATOM 2039 OE2 GLU A 940 11.557 25.033 45.817 1.00 14.02 O ATOM 2040 H GLU A 940 8.975 28.152 44.179 1.00 0.00 H ATOM 2041 N PHE A 941 6.989 28.905 46.802 1.00 10.22 N ATOM 2042 CA PHE A 941 5.908 29.344 47.665 1.00 11.30 C ATOM 2043 C PHE A 941 4.703 28.400 47.557 1.00 10.52 C ATOM 2044 O PHE A 941 4.053 28.092 48.569 1.00 11.96 O ATOM 2045 CB PHE A 941 5.529 30.796 47.372 1.00 12.01 C ATOM 2046 CG PHE A 941 4.682 31.398 48.444 1.00 13.26 C ATOM 2047 CD1 PHE A 941 5.163 31.485 49.770 1.00 17.41 C ATOM 2048 CD2 PHE A 941 3.412 31.840 48.175 1.00 14.77 C ATOM 2049 CE1 PHE A 941 4.398 32.046 50.779 1.00 21.12 C ATOM 2050 CE2 PHE A 941 2.633 32.393 49.185 1.00 18.31 C ATOM 2051 CZ PHE A 941 3.126 32.490 50.479 1.00 22.69 C ATOM 2052 H PHE A 941 7.240 29.443 45.948 1.00 0.00 H ATOM 2053 N CYS A 942 4.425 27.906 46.355 1.00 10.55 N ATOM 2054 CA CYS A 942 3.308 27.001 46.157 1.00 10.88 C ATOM 2055 C CYS A 942 3.560 25.687 46.911 1.00 11.21 C ATOM 2056 O CYS A 942 2.652 25.123 47.506 1.00 12.16 O ATOM 2057 CB CYS A 942 3.158 26.757 44.666 1.00 11.58 C ATOM 2058 SG CYS A 942 1.614 25.937 44.213 1.00 14.29 S ATOM 2059 H CYS A 942 5.018 28.172 45.543 1.00 0.00 H ATOM 2060 N PHE A 943 4.797 25.178 46.871 1.00 11.23 N ATOM 2061 CA PHE A 943 5.122 23.962 47.589 1.00 11.71 C ATOM 2062 C PHE A 943 4.956 24.138 49.096 1.00 11.78 C ATOM 2063 O PHE A 943 4.554 23.217 49.803 1.00 13.89 O ATOM 2064 CB PHE A 943 6.552 23.514 47.295 1.00 13.49 C ATOM 2065 CG PHE A 943 6.818 23.067 45.878 1.00 13.15 C ATOM 2066 CD1 PHE A 943 5.842 22.413 45.114 1.00 14.55 C ATOM 2067 CD2 PHE A 943 8.091 23.258 45.323 1.00 14.75 C ATOM 2068 CE1 PHE A 943 6.134 21.975 43.823 1.00 15.67 C ATOM 2069 CE2 PHE A 943 8.366 22.802 44.040 1.00 15.56 C ATOM 2070 CZ PHE A 943 7.395 22.157 43.297 1.00 16.42 C ATOM 2071 H PHE A 943 5.534 25.661 46.318 1.00 0.00 H ATOM 2072 N TYR A 944 5.267 25.322 49.592 1.00 12.51 N ATOM 2073 CA TYR A 944 5.119 25.629 51.011 1.00 13.03 C ATOM 2074 C TYR A 944 3.652 25.599 51.409 1.00 12.14 C ATOM 2075 O TYR A 944 3.255 24.924 52.385 1.00 13.42 O ATOM 2076 CB TYR A 944 5.734 27.000 51.283 1.00 14.89 C ATOM 2077 CG TYR A 944 5.379 27.547 52.604 1.00 17.78 C ATOM 2078 CD1 TYR A 944 5.849 26.952 53.752 1.00 19.71 C ATOM 2079 CD2 TYR A 944 4.514 28.645 52.700 1.00 23.22 C ATOM 2080 CE1 TYR A 944 5.471 27.449 55.010 1.00 25.48 C ATOM 2081 CE2 TYR A 944 4.133 29.151 53.918 1.00 25.70 C ATOM 2082 CZ TYR A 944 4.611 28.554 55.065 1.00 24.22 C ATOM 2083 OH TYR A 944 4.220 29.075 56.266 1.00 36.14 O ATOM 2084 HH TYR A 944 4.633 28.555 57.000 1.00 0.00 H ATOM 2085 H TYR A 944 5.628 26.058 48.952 1.00 0.00 H ATOM 2086 N THR A 945 2.806 26.316 50.679 1.00 12.31 N ATOM 2087 CA THR A 945 1.407 26.348 51.078 1.00 13.03 C ATOM 2088 C THR A 945 0.751 24.997 50.830 1.00 12.27 C ATOM 2089 O THR A 945 -0.163 24.639 51.572 1.00 13.93 O ATOM 2090 CB THR A 945 0.601 27.455 50.393 1.00 15.70 C ATOM 2091 OG1 THR A 945 0.518 27.173 49.013 1.00 14.99 O ATOM 2092 CG2 THR A 945 1.273 28.822 50.589 1.00 19.97 C ATOM 2093 HG1 THR A 945 -0.002 27.885 48.563 1.00 0.00 H ATOM 2094 H THR A 945 3.135 26.841 49.844 1.00 0.00 H ATOM 2095 N PHE A 946 1.227 24.237 49.846 1.00 12.08 N ATOM 2096 CA PHE A 946 0.715 22.890 49.652 1.00 12.54 C ATOM 2097 C PHE A 946 1.001 22.000 50.866 1.00 12.96 C ATOM 2098 O PHE A 946 0.098 21.333 51.385 1.00 13.93 O ATOM 2099 CB PHE A 946 1.324 22.294 48.391 1.00 12.29 C ATOM 2100 CG PHE A 946 0.798 20.943 48.072 1.00 14.09 C ATOM 2101 CD1 PHE A 946 -0.391 20.834 47.356 1.00 15.86 C ATOM 2102 CD2 PHE A 946 1.462 19.789 48.468 1.00 16.38 C ATOM 2103 CE1 PHE A 946 -0.911 19.609 47.025 1.00 19.02 C ATOM 2104 CE2 PHE A 946 0.920 18.536 48.141 1.00 18.73 C ATOM 2105 CZ PHE A 946 -0.264 18.466 47.422 1.00 19.20 C ATOM 2106 H PHE A 946 1.966 24.607 49.215 1.00 0.00 H ATOM 2107 N ARG A 947 2.264 21.984 51.301 1.00 13.29 N ATOM 2108 CA ARG A 947 2.617 21.152 52.444 1.00 15.77 C ATOM 2109 C ARG A 947 1.867 21.577 53.718 1.00 16.15 C ATOM 2110 O ARG A 947 1.598 20.755 54.589 1.00 20.81 O ATOM 2111 CB ARG A 947 4.125 21.181 52.665 1.00 17.49 C ATOM 2112 CG ARG A 947 4.927 20.591 51.539 1.00 25.82 C ATOM 2113 CD ARG A 947 6.379 20.665 51.916 1.00 43.12 C ATOM 2114 NE ARG A 947 6.792 19.343 52.318 1.00 39.71 N ATOM 2115 CZ ARG A 947 7.820 18.711 51.781 1.00 38.23 C ATOM 2116 NH1 ARG A 947 8.135 17.491 52.186 1.00 58.47 N ATOM 2117 NH2 ARG A 947 8.547 19.324 50.852 1.00 31.42 N ATOM 2118 HE ARG A 947 6.254 18.864 53.068 1.00 0.00 H ATOM 2119 HH12 ARG A 947 8.945 16.995 51.762 1.00 0.00 H ATOM 2120 HH11 ARG A 947 7.573 17.028 52.928 1.00 0.00 H ATOM 2121 HH22 ARG A 947 9.359 18.837 50.422 1.00 0.00 H ATOM 2122 HH21 ARG A 947 8.304 20.291 50.556 1.00 0.00 H ATOM 2123 H ARG A 947 2.989 22.560 50.828 1.00 0.00 H ATOM 2124 N GLU A 948 1.597 22.872 53.840 1.00 15.76 N ATOM 2125 CA GLU A 948 0.975 23.441 55.031 1.00 17.15 C ATOM 2126 C GLU A 948 -0.500 23.773 54.752 1.00 16.38 C ATOM 2127 O GLU A 948 -1.100 24.598 55.432 1.00 18.45 O ATOM 2128 CB GLU A 948 1.769 24.683 55.490 1.00 22.20 C ATOM 2129 CG GLU A 948 3.228 24.416 55.838 1.00 27.40 C ATOM 2130 CD GLU A 948 3.376 23.500 57.031 1.00 33.20 C ATOM 2131 OE1 GLU A 948 2.549 23.602 57.960 1.00 33.77 O ATOM 2132 OE2 GLU A 948 4.318 22.680 57.041 1.00 49.32 O ATOM 2133 H GLU A 948 1.839 23.507 53.053 1.00 0.00 H ATOM 2134 N SER A 949 -1.081 23.113 53.752 1.00 16.09 N ATOM 2135 CA SER A 949 -2.408 23.482 53.253 1.00 15.82 C ATOM 2136 C SER A 949 -3.467 23.505 54.348 1.00 15.84 C ATOM 2137 O SER A 949 -4.242 24.458 54.461 1.00 16.75 O ATOM 2138 CB SER A 949 -2.832 22.496 52.164 1.00 15.96 C ATOM 2139 OG SER A 949 -4.201 22.585 51.841 1.00 16.44 O ATOM 2140 HG SER A 949 -4.416 21.926 51.134 1.00 0.00 H ATOM 2141 H SER A 949 -0.579 22.314 53.314 1.00 0.00 H ATOM 2142 N HIS A 950 -3.519 22.450 55.152 1.00 18.36 N ATOM 2143 CA HIS A 950 -4.572 22.357 56.150 1.00 21.07 C ATOM 2144 C HIS A 950 -4.368 23.394 57.256 1.00 21.97 C ATOM 2145 O HIS A 950 -5.328 24.031 57.704 1.00 27.31 O ATOM 2146 CB HIS A 950 -4.734 20.903 56.633 1.00 23.17 C ATOM 2147 CG HIS A 950 -5.289 19.994 55.569 1.00 25.44 C ATOM 2148 ND1 HIS A 950 -4.495 19.418 54.599 1.00 29.45 N ATOM 2149 CD2 HIS A 950 -6.556 19.603 55.293 1.00 26.53 C ATOM 2150 CE1 HIS A 950 -5.244 18.702 53.780 1.00 32.99 C ATOM 2151 NE2 HIS A 950 -6.500 18.803 54.174 1.00 27.43 N ATOM 2152 H HIS A 950 -2.810 21.694 55.068 1.00 0.00 H ATOM 2153 N ALA A 951 -3.114 23.589 57.664 1.00 22.82 N ATOM 2154 CA ALA A 951 -2.787 24.560 58.714 1.00 24.21 C ATOM 2155 C ALA A 951 -3.047 26.001 58.268 1.00 23.14 C ATOM 2156 O ALA A 951 -3.529 26.834 59.031 1.00 25.38 O ATOM 2157 CB ALA A 951 -1.342 24.394 59.163 1.00 29.23 C ATOM 2158 H ALA A 951 -2.348 23.039 57.227 1.00 0.00 H ATOM 2159 N LEU A 952 -2.718 26.283 57.009 1.00 20.84 N ATOM 2160 CA LEU A 952 -2.871 27.632 56.463 1.00 18.89 C ATOM 2161 C LEU A 952 -4.253 27.903 55.889 1.00 17.66 C ATOM 2162 O LEU A 952 -4.559 29.040 55.544 1.00 18.83 O ATOM 2163 CB LEU A 952 -1.827 27.878 55.373 1.00 18.66 C ATOM 2164 CG LEU A 952 -0.380 27.865 55.840 1.00 21.11 C ATOM 2165 CD1 LEU A 952 0.546 28.005 54.633 1.00 24.97 C ATOM 2166 CD2 LEU A 952 -0.144 28.979 56.846 1.00 26.62 C ATOM 2167 H LEU A 952 -2.344 25.528 56.400 1.00 0.00 H ATOM 2168 N LYS A 953 -5.064 26.859 55.754 1.00 17.13 N ATOM 2169 CA LYS A 953 -6.388 26.964 55.145 1.00 17.02 C ATOM 2170 C LYS A 953 -6.302 27.474 53.703 1.00 15.36 C ATOM 2171 O LYS A 953 -7.087 28.307 53.271 1.00 17.98 O ATOM 2172 CB LYS A 953 -7.336 27.817 56.012 1.00 20.44 C ATOM 2173 CG LYS A 953 -7.516 27.287 57.424 1.00 28.14 C ATOM 2174 CD LYS A 953 -8.632 28.035 58.130 1.00 38.43 C ATOM 2175 CE LYS A 953 -8.813 27.545 59.557 1.00 52.50 C ATOM 2176 NZ LYS A 953 -9.957 28.224 60.227 1.00 56.19 N ATOM 2177 HZ1 LYS A 953 -9.785 29.249 60.250 1.00 0.00 H ATOM 2178 HZ2 LYS A 953 -10.831 28.030 59.699 1.00 0.00 H ATOM 2179 HZ3 LYS A 953 -10.051 27.865 61.199 1.00 0.00 H ATOM 2180 H LYS A 953 -4.744 25.930 56.095 1.00 0.00 H ATOM 2181 N VAL A 954 -5.332 26.952 52.962 1.00 14.49 N ATOM 2182 CA VAL A 954 -5.206 27.234 51.536 1.00 13.67 C ATOM 2183 C VAL A 954 -5.604 25.972 50.792 1.00 12.48 C ATOM 2184 O VAL A 954 -4.966 24.931 50.961 1.00 14.29 O ATOM 2185 CB VAL A 954 -3.798 27.713 51.151 1.00 14.69 C ATOM 2186 CG1 VAL A 954 -3.685 27.839 49.627 1.00 15.27 C ATOM 2187 CG2 VAL A 954 -3.476 29.048 51.840 1.00 16.38 C ATOM 2188 H VAL A 954 -4.639 26.321 53.413 1.00 0.00 H ATOM 2189 N GLU A 955 -6.667 26.076 49.984 1.00 11.96 N ATOM 2190 CA GLU A 955 -7.203 24.887 49.314 1.00 11.84 C ATOM 2191 C GLU A 955 -6.536 24.671 47.959 1.00 10.95 C ATOM 2192 O GLU A 955 -6.124 25.615 47.289 1.00 11.86 O ATOM 2193 CB GLU A 955 -8.718 25.043 49.180 1.00 12.66 C ATOM 2194 CG GLU A 955 -9.363 25.158 50.564 1.00 14.58 C ATOM 2195 CD GLU A 955 -10.878 24.963 50.615 1.00 13.39 C ATOM 2196 OE1 GLU A 955 -11.571 24.984 49.563 1.00 14.20 O ATOM 2197 OE2 GLU A 955 -11.377 24.734 51.745 1.00 14.57 O ATOM 2198 H GLU A 955 -7.114 27.003 49.831 1.00 0.00 H ATOM 2199 N PHE A 956 -6.450 23.409 47.570 1.00 11.55 N ATOM 2200 CA PHE A 956 -5.891 23.010 46.274 1.00 11.35 C ATOM 2201 C PHE A 956 -6.840 22.015 45.627 1.00 11.38 C ATOM 2202 O PHE A 956 -7.334 21.106 46.296 1.00 14.10 O ATOM 2203 CB PHE A 956 -4.539 22.303 46.435 1.00 12.12 C ATOM 2204 CG PHE A 956 -3.403 23.218 46.761 1.00 11.68 C ATOM 2205 CD1 PHE A 956 -3.201 23.680 48.062 1.00 13.08 C ATOM 2206 CD2 PHE A 956 -2.531 23.619 45.753 1.00 12.82 C ATOM 2207 CE1 PHE A 956 -2.130 24.516 48.350 1.00 13.84 C ATOM 2208 CE2 PHE A 956 -1.459 24.451 46.039 1.00 14.00 C ATOM 2209 CZ PHE A 956 -1.271 24.906 47.334 1.00 14.26 C ATOM 2210 H PHE A 956 -6.794 22.667 48.212 1.00 0.00 H ATOM 2211 N PRO A 957 -7.095 22.150 44.320 1.00 10.67 N ATOM 2212 CA PRO A 957 -7.930 21.176 43.612 1.00 11.29 C ATOM 2213 C PRO A 957 -7.159 19.890 43.315 1.00 10.77 C ATOM 2214 O PRO A 957 -5.913 19.868 43.312 1.00 11.22 O ATOM 2215 CB PRO A 957 -8.265 21.907 42.315 1.00 12.35 C ATOM 2216 CG PRO A 957 -7.015 22.703 42.048 1.00 11.35 C ATOM 2217 CD PRO A 957 -6.594 23.202 43.413 1.00 11.34 C ATOM 2218 N ALA A 958 -7.899 18.831 43.016 1.00 11.17 N ATOM 2219 CA ALA A 958 -7.265 17.541 42.781 1.00 11.85 C ATOM 2220 C ALA A 958 -6.237 17.558 41.668 1.00 10.86 C ATOM 2221 O ALA A 958 -5.237 16.849 41.762 1.00 12.02 O ATOM 2222 CB ALA A 958 -8.321 16.469 42.477 1.00 13.26 C ATOM 2223 H ALA A 958 -8.933 18.922 42.949 1.00 0.00 H ATOM 2224 N MET A 959 -6.446 18.350 40.622 1.00 10.54 N ATOM 2225 CA MET A 959 -5.456 18.429 39.538 1.00 10.60 C ATOM 2226 C MET A 959 -4.082 18.835 40.083 1.00 10.67 C ATOM 2227 O MET A 959 -3.061 18.288 39.701 1.00 11.90 O ATOM 2228 CB MET A 959 -5.935 19.420 38.484 1.00 11.08 C ATOM 2229 CG MET A 959 -5.060 19.550 37.242 1.00 11.44 C ATOM 2230 SD MET A 959 -5.205 18.150 36.082 1.00 14.71 S ATOM 2231 CE MET A 959 -3.686 17.286 36.463 1.00 15.71 C ATOM 2232 H MET A 959 -7.316 18.918 40.570 1.00 0.00 H ATOM 2233 N LEU A 960 -4.059 19.846 40.941 1.00 10.41 N ATOM 2234 CA LEU A 960 -2.804 20.296 41.528 1.00 10.91 C ATOM 2235 C LEU A 960 -2.265 19.330 42.569 1.00 11.67 C ATOM 2236 O LEU A 960 -1.062 19.164 42.683 1.00 12.30 O ATOM 2237 CB LEU A 960 -2.900 21.704 42.095 1.00 11.29 C ATOM 2238 CG LEU A 960 -3.102 22.872 41.122 1.00 18.77 C ATOM 2239 CD1 LEU A 960 -2.719 24.182 41.775 1.00 13.53 C ATOM 2240 CD2 LEU A 960 -2.574 22.714 39.726 1.00 21.90 C ATOM 2241 H LEU A 960 -4.947 20.323 41.198 1.00 0.00 H ATOM 2242 N VAL A 961 -3.147 18.668 43.330 1.00 11.97 N ATOM 2243 CA VAL A 961 -2.674 17.622 44.232 1.00 13.14 C ATOM 2244 C VAL A 961 -1.928 16.548 43.432 1.00 13.86 C ATOM 2245 O VAL A 961 -0.868 16.073 43.863 1.00 14.93 O ATOM 2246 CB VAL A 961 -3.810 17.034 45.069 1.00 13.74 C ATOM 2247 CG1 VAL A 961 -3.319 15.845 45.893 1.00 17.59 C ATOM 2248 CG2 VAL A 961 -4.422 18.112 45.947 1.00 15.24 C ATOM 2249 H VAL A 961 -4.160 18.897 43.279 1.00 0.00 H ATOM 2250 N GLU A 962 -2.469 16.155 42.283 1.00 13.35 N ATOM 2251 CA GLU A 962 -1.798 15.145 41.454 1.00 14.57 C ATOM 2252 C GLU A 962 -0.420 15.608 41.005 1.00 13.89 C ATOM 2253 O GLU A 962 0.582 14.887 41.173 1.00 15.87 O ATOM 2254 CB GLU A 962 -2.664 14.824 40.237 1.00 15.08 C ATOM 2255 CG GLU A 962 -3.902 13.986 40.554 1.00 23.02 C ATOM 2256 CD GLU A 962 -4.642 13.472 39.324 1.00 28.49 C ATOM 2257 OE1 GLU A 962 -4.232 13.722 38.154 1.00 26.99 O ATOM 2258 OE2 GLU A 962 -5.660 12.784 39.532 1.00 28.74 O ATOM 2259 H GLU A 962 -3.372 16.565 41.969 1.00 0.00 H ATOM 2260 N ILE A 963 -0.362 16.797 40.429 1.00 12.75 N ATOM 2261 CA ILE A 963 0.885 17.307 39.905 1.00 12.37 C ATOM 2262 C ILE A 963 1.918 17.452 41.026 1.00 11.99 C ATOM 2263 O ILE A 963 3.048 16.973 40.918 1.00 13.02 O ATOM 2264 CB ILE A 963 0.673 18.657 39.201 1.00 11.96 C ATOM 2265 CG1 ILE A 963 -0.156 18.457 37.924 1.00 13.68 C ATOM 2266 CG2 ILE A 963 2.020 19.321 38.890 1.00 13.17 C ATOM 2267 CD1 ILE A 963 -0.669 19.734 37.332 1.00 15.18 C ATOM 2268 H ILE A 963 -1.225 17.373 40.352 1.00 0.00 H ATOM 2269 N ILE A 964 1.528 18.148 42.092 1.00 11.40 N ATOM 2270 CA ILE A 964 2.480 18.510 43.125 1.00 11.71 C ATOM 2271 C ILE A 964 2.919 17.273 43.919 1.00 12.71 C ATOM 2272 O ILE A 964 4.085 17.151 44.286 1.00 13.02 O ATOM 2273 CB ILE A 964 1.934 19.636 44.023 1.00 11.70 C ATOM 2274 CG1 ILE A 964 1.716 20.902 43.186 1.00 12.59 C ATOM 2275 CG2 ILE A 964 2.886 19.893 45.198 1.00 14.17 C ATOM 2276 CD1 ILE A 964 0.895 21.965 43.905 1.00 13.97 C ATOM 2277 H ILE A 964 0.533 18.435 42.185 1.00 0.00 H ATOM 2278 N SER A 965 1.997 16.339 44.182 1.00 14.24 N ATOM 2279 CA SER A 965 2.391 15.088 44.852 1.00 17.37 C ATOM 2280 C SER A 965 3.400 14.288 44.048 1.00 15.71 C ATOM 2281 O SER A 965 4.280 13.642 44.636 1.00 19.17 O ATOM 2282 CB SER A 965 1.166 14.216 45.082 1.00 20.21 C ATOM 2283 OG SER A 965 0.285 14.872 45.954 1.00 21.70 O ATOM 2284 HG SER A 965 0.008 15.734 45.554 1.00 0.00 H ATOM 2285 H SER A 965 1.005 16.496 43.914 1.00 0.00 H ATOM 2286 N ASP A 966 3.303 14.308 42.722 1.00 16.50 N ATOM 2287 CA ASP A 966 4.279 13.597 41.869 1.00 16.90 C ATOM 2288 C ASP A 966 5.589 14.367 41.821 1.00 15.43 C ATOM 2289 O ASP A 966 6.663 13.793 41.862 1.00 17.66 O ATOM 2290 CB ASP A 966 3.741 13.431 40.415 1.00 18.95 C ATOM 2291 CG ASP A 966 2.796 12.252 40.233 1.00 19.31 C ATOM 2292 OD1 ASP A 966 2.619 11.431 41.161 1.00 25.58 O ATOM 2293 OD2 ASP A 966 2.207 12.145 39.141 1.00 22.18 O ATOM 2294 H ASP A 966 2.525 14.834 42.276 1.00 0.00 H ATOM 2295 N GLN A 967 5.488 15.679 41.710 1.00 14.14 N ATOM 2296 CA GLN A 967 6.654 16.501 41.388 1.00 13.29 C ATOM 2297 C GLN A 967 7.505 16.824 42.619 1.00 12.33 C ATOM 2298 O GLN A 967 8.726 16.870 42.526 1.00 13.11 O ATOM 2299 CB GLN A 967 6.235 17.786 40.634 1.00 12.67 C ATOM 2300 CG GLN A 967 7.365 18.688 40.116 1.00 11.63 C ATOM 2301 CD GLN A 967 8.202 18.063 39.026 1.00 9.42 C ATOM 2302 OE1 GLN A 967 7.868 16.996 38.501 1.00 10.97 O ATOM 2303 NE2 GLN A 967 9.332 18.713 38.710 1.00 9.26 N ATOM 2304 HE22 GLN A 967 9.566 19.609 39.183 1.00 0.00 H ATOM 2305 HE21 GLN A 967 9.974 18.321 37.992 1.00 0.00 H ATOM 2306 H GLN A 967 4.564 16.135 41.854 1.00 0.00 H ATOM 2307 N LEU A 968 6.882 17.064 43.764 1.00 14.24 N ATOM 2308 CA LEU A 968 7.629 17.542 44.913 1.00 14.44 C ATOM 2309 C LEU A 968 8.748 16.575 45.370 1.00 14.03 C ATOM 2310 O LEU A 968 9.851 17.025 45.640 1.00 13.71 O ATOM 2311 CB LEU A 968 6.645 17.924 46.012 1.00 18.43 C ATOM 2312 CG LEU A 968 7.180 18.668 47.201 1.00 19.33 C ATOM 2313 CD1 LEU A 968 8.139 19.794 46.891 1.00 16.06 C ATOM 2314 CD2 LEU A 968 5.981 19.175 48.005 1.00 20.27 C ATOM 2315 H LEU A 968 5.856 16.910 43.839 1.00 0.00 H ATOM 2316 N PRO A 969 8.506 15.246 45.390 1.00 14.93 N ATOM 2317 CA PRO A 969 9.618 14.358 45.772 1.00 16.67 C ATOM 2318 C PRO A 969 10.792 14.453 44.781 1.00 14.35 C ATOM 2319 O PRO A 969 11.947 14.301 45.182 1.00 15.42 O ATOM 2320 CB PRO A 969 8.976 12.972 45.754 1.00 20.77 C ATOM 2321 CG PRO A 969 7.528 13.239 46.033 1.00 23.01 C ATOM 2322 CD PRO A 969 7.241 14.498 45.269 1.00 18.81 C ATOM 2323 N LYS A 970 10.504 14.690 43.505 1.00 12.97 N ATOM 2324 CA LYS A 970 11.556 14.825 42.507 1.00 12.70 C ATOM 2325 C LYS A 970 12.343 16.092 42.739 1.00 11.94 C ATOM 2326 O LYS A 970 13.561 16.091 42.649 1.00 14.16 O ATOM 2327 CB LYS A 970 10.950 14.803 41.110 1.00 13.24 C ATOM 2328 CG LYS A 970 10.150 13.526 40.853 1.00 15.04 C ATOM 2329 CD LYS A 970 9.482 13.540 39.507 1.00 16.33 C ATOM 2330 CE LYS A 970 8.587 12.334 39.340 1.00 19.67 C ATOM 2331 NZ LYS A 970 7.951 12.346 37.989 1.00 24.08 N ATOM 2332 HZ1 LYS A 970 7.382 13.210 37.883 1.00 0.00 H ATOM 2333 HZ2 LYS A 970 8.691 12.325 37.259 1.00 0.00 H ATOM 2334 HZ3 LYS A 970 7.339 11.511 37.888 1.00 0.00 H ATOM 2335 H LYS A 970 9.510 14.781 43.214 1.00 0.00 H ATOM 2336 N VAL A 971 11.640 17.166 43.097 1.00 11.68 N ATOM 2337 CA VAL A 971 12.295 18.418 43.408 1.00 11.76 C ATOM 2338 C VAL A 971 13.186 18.276 44.659 1.00 11.15 C ATOM 2339 O VAL A 971 14.330 18.720 44.673 1.00 12.49 O ATOM 2340 CB VAL A 971 11.226 19.512 43.607 1.00 12.97 C ATOM 2341 CG1 VAL A 971 11.835 20.783 44.179 1.00 14.87 C ATOM 2342 CG2 VAL A 971 10.542 19.822 42.284 1.00 14.38 C ATOM 2343 H VAL A 971 10.603 17.103 43.154 1.00 0.00 H ATOM 2344 N GLU A 972 12.640 17.662 45.714 1.00 12.09 N ATOM 2345 CA GLU A 972 13.393 17.522 46.955 1.00 13.37 C ATOM 2346 C GLU A 972 14.627 16.631 46.755 1.00 14.20 C ATOM 2347 O GLU A 972 15.622 16.795 47.450 1.00 17.83 O ATOM 2348 CB GLU A 972 12.495 16.918 48.019 1.00 16.34 C ATOM 2349 CG GLU A 972 11.361 17.787 48.483 1.00 20.15 C ATOM 2350 CD GLU A 972 10.480 17.048 49.474 1.00 32.90 C ATOM 2351 OE1 GLU A 972 10.160 15.852 49.264 1.00 35.92 O ATOM 2352 OE2 GLU A 972 10.122 17.663 50.478 1.00 51.94 O ATOM 2353 H GLU A 972 11.674 17.283 45.649 1.00 0.00 H ATOM 2354 N SER A 973 14.555 15.680 45.831 1.00 14.00 N ATOM 2355 CA SER A 973 15.657 14.780 45.555 1.00 15.50 C ATOM 2356 C SER A 973 16.758 15.449 44.749 1.00 14.36 C ATOM 2357 O SER A 973 17.841 14.896 44.618 1.00 19.13 O ATOM 2358 CB SER A 973 15.142 13.522 44.845 1.00 21.73 C ATOM 2359 OG SER A 973 14.297 12.768 45.702 1.00 24.48 O ATOM 2360 HG SER A 973 13.522 13.323 45.971 1.00 0.00 H ATOM 2361 H SER A 973 13.676 15.577 45.285 1.00 0.00 H ATOM 2362 N GLY A 974 16.470 16.620 44.175 1.00 13.08 N ATOM 2363 CA GLY A 974 17.429 17.298 43.325 1.00 14.00 C ATOM 2364 C GLY A 974 17.370 16.898 41.853 1.00 12.76 C ATOM 2365 O GLY A 974 18.286 17.157 41.082 1.00 18.27 O ATOM 2366 H GLY A 974 15.540 17.054 44.341 1.00 0.00 H ATOM 2367 N ASN A 975 16.261 16.308 41.431 1.00 11.22 N ATOM 2368 CA ASN A 975 16.158 15.748 40.087 1.00 11.38 C ATOM 2369 C ASN A 975 15.534 16.707 39.079 1.00 11.19 C ATOM 2370 O ASN A 975 14.628 16.344 38.328 1.00 13.50 O ATOM 2371 CB ASN A 975 15.399 14.423 40.132 1.00 12.29 C ATOM 2372 CG ASN A 975 15.516 13.651 38.841 1.00 11.30 C ATOM 2373 OD1 ASN A 975 16.473 13.865 38.078 1.00 11.74 O ATOM 2374 ND2 ASN A 975 14.579 12.746 38.573 1.00 12.75 N ATOM 2375 HD22 ASN A 975 13.794 12.598 39.239 1.00 0.00 H ATOM 2376 HD21 ASN A 975 14.631 12.187 37.698 1.00 0.00 H ATOM 2377 H ASN A 975 15.445 16.242 42.072 1.00 0.00 H ATOM 2378 N VAL A 976 16.059 17.919 39.007 1.00 12.29 N ATOM 2379 CA VAL A 976 15.482 18.967 38.141 1.00 12.26 C ATOM 2380 C VAL A 976 16.622 19.709 37.468 1.00 13.11 C ATOM 2381 O VAL A 976 17.522 20.211 38.149 1.00 15.85 O ATOM 2382 CB VAL A 976 14.600 19.961 38.953 1.00 15.60 C ATOM 2383 CG1 VAL A 976 14.043 21.027 38.017 1.00 17.58 C ATOM 2384 CG2 VAL A 976 13.459 19.233 39.660 1.00 18.53 C ATOM 2385 H VAL A 976 16.901 18.140 39.576 1.00 0.00 H ATOM 2386 N LYS A 977 16.587 19.781 36.135 1.00 11.84 N ATOM 2387 CA LYS A 977 17.588 20.485 35.322 1.00 12.47 C ATOM 2388 C LYS A 977 16.853 21.525 34.472 1.00 11.95 C ATOM 2389 O LYS A 977 16.259 21.205 33.451 1.00 12.23 O ATOM 2390 CB LYS A 977 18.337 19.492 34.409 1.00 15.24 C ATOM 2391 CG LYS A 977 19.272 20.063 33.356 1.00 17.31 C ATOM 2392 CD LYS A 977 20.361 20.903 33.984 1.00 20.76 C ATOM 2393 CE LYS A 977 21.282 21.468 32.913 1.00 24.14 C ATOM 2394 NZ LYS A 977 22.417 22.187 33.532 1.00 29.49 N ATOM 2395 HZ1 LYS A 977 22.055 22.969 34.114 1.00 0.00 H ATOM 2396 HZ2 LYS A 977 22.957 21.530 34.130 1.00 0.00 H ATOM 2397 HZ3 LYS A 977 23.035 22.565 32.786 1.00 0.00 H ATOM 2398 H LYS A 977 15.802 19.309 35.642 1.00 0.00 H ATOM 2399 N PRO A 978 16.929 22.796 34.864 1.00 12.12 N ATOM 2400 CA PRO A 978 16.456 23.867 33.970 1.00 11.99 C ATOM 2401 C PRO A 978 17.425 24.018 32.799 1.00 11.71 C ATOM 2402 O PRO A 978 18.641 24.046 32.993 1.00 14.10 O ATOM 2403 CB PRO A 978 16.472 25.109 34.861 1.00 13.59 C ATOM 2404 CG PRO A 978 16.646 24.592 36.257 1.00 21.94 C ATOM 2405 CD PRO A 978 17.408 23.316 36.153 1.00 14.40 C ATOM 2406 N LEU A 979 16.879 24.111 31.590 1.00 11.67 N ATOM 2407 CA LEU A 979 17.670 24.311 30.406 1.00 12.11 C ATOM 2408 C LEU A 979 17.677 25.793 30.073 1.00 11.79 C ATOM 2409 O LEU A 979 16.608 26.409 30.022 1.00 12.58 O ATOM 2410 CB LEU A 979 17.092 23.530 29.226 1.00 12.11 C ATOM 2411 CG LEU A 979 17.045 22.016 29.417 1.00 12.58 C ATOM 2412 CD1 LEU A 979 16.353 21.370 28.225 1.00 13.66 C ATOM 2413 CD2 LEU A 979 18.432 21.411 29.655 1.00 14.59 C ATOM 2414 H LEU A 979 15.846 24.037 31.498 1.00 0.00 H ATOM 2415 N TYR A 980 18.860 26.347 29.825 1.00 12.78 N ATOM 2416 CA TYR A 980 19.015 27.741 29.475 1.00 13.04 C ATOM 2417 C TYR A 980 19.600 27.895 28.087 1.00 13.50 C ATOM 2418 O TYR A 980 20.465 27.122 27.662 1.00 16.25 O ATOM 2419 CB TYR A 980 19.954 28.462 30.445 1.00 14.36 C ATOM 2420 CG TYR A 980 19.446 28.565 31.856 1.00 13.86 C ATOM 2421 CD1 TYR A 980 19.703 27.571 32.760 1.00 17.30 C ATOM 2422 CD2 TYR A 980 18.678 29.640 32.277 1.00 20.75 C ATOM 2423 CE1 TYR A 980 19.282 27.658 34.063 1.00 20.99 C ATOM 2424 CE2 TYR A 980 18.231 29.731 33.583 1.00 22.38 C ATOM 2425 CZ TYR A 980 18.548 28.729 34.449 1.00 19.62 C ATOM 2426 OH TYR A 980 18.106 28.827 35.737 1.00 30.90 O ATOM 2427 HH TYR A 980 17.117 28.868 35.743 1.00 0.00 H ATOM 2428 H TYR A 980 19.711 25.752 29.885 1.00 0.00 H ATOM 2429 N PHE A 981 19.179 28.951 27.405 1.00 13.72 N ATOM 2430 CA PHE A 981 19.789 29.340 26.144 1.00 14.46 C ATOM 2431 C PHE A 981 21.114 30.071 26.318 1.00 15.88 C ATOM 2432 O PHE A 981 22.013 29.942 25.484 1.00 19.89 O ATOM 2433 CB PHE A 981 18.800 30.212 25.339 1.00 15.50 C ATOM 2434 CG PHE A 981 17.593 29.454 24.851 1.00 16.26 C ATOM 2435 CD1 PHE A 981 17.685 28.650 23.735 1.00 21.37 C ATOM 2436 CD2 PHE A 981 16.365 29.527 25.520 1.00 16.64 C ATOM 2437 CE1 PHE A 981 16.579 27.949 23.287 1.00 22.98 C ATOM 2438 CE2 PHE A 981 15.261 28.812 25.090 1.00 19.21 C ATOM 2439 CZ PHE A 981 15.370 28.022 23.972 1.00 21.23 C ATOM 2440 H PHE A 981 18.392 29.516 27.782 1.00 0.00 H ATOM 2441 N HIS A 982 21.257 30.826 27.405 1.00 15.42 N ATOM 2442 CA HIS A 982 22.401 31.713 27.604 1.00 17.59 C ATOM 2443 C HIS A 982 23.112 31.518 28.934 1.00 19.63 C ATOM 2444 O HIS A 982 23.988 32.307 29.277 1.00 27.51 O ATOM 2445 CB HIS A 982 21.941 33.160 27.464 1.00 17.96 C ATOM 2446 CG HIS A 982 21.238 33.429 26.174 1.00 19.64 C ATOM 2447 ND1 HIS A 982 21.902 33.486 24.968 1.00 25.07 N ATOM 2448 CD2 HIS A 982 19.924 33.591 25.893 1.00 18.23 C ATOM 2449 CE1 HIS A 982 21.023 33.694 24.001 1.00 24.53 C ATOM 2450 NE2 HIS A 982 19.820 33.784 24.539 1.00 21.48 N ATOM 2451 H HIS A 982 20.525 30.783 28.142 1.00 0.00 H ATOM 2452 N ARG A 983 22.809 30.453 29.662 1.00 24.64 N ATOM 2453 CA ARG A 983 23.562 30.089 30.899 1.00 23.78 C ATOM 2454 C ARG A 983 24.069 28.654 30.828 1.00 36.66 C ATOM 2455 O ARG A 983 23.498 27.808 30.123 1.00 31.72 O ATOM 2456 CB ARG A 983 22.695 30.269 32.165 1.00 21.27 C ATOM 2457 CG ARG A 983 21.831 31.527 32.143 1.00 21.02 C ATOM 2458 CD ARG A 983 21.046 31.744 33.422 1.00 21.73 C ATOM 2459 NE ARG A 983 20.017 32.761 33.215 1.00 22.23 N ATOM 2460 CZ ARG A 983 19.082 33.093 34.105 1.00 20.82 C ATOM 2461 NH1 ARG A 983 18.162 34.015 33.807 1.00 23.08 N ATOM 2462 NH2 ARG A 983 19.055 32.496 35.287 1.00 23.14 N ATOM 2463 HE ARG A 983 20.014 33.264 32.305 1.00 0.00 H ATOM 2464 HH12 ARG A 983 17.435 34.269 34.506 1.00 0.00 H ATOM 2465 HH11 ARG A 983 18.173 34.478 32.876 1.00 0.00 H ATOM 2466 HH22 ARG A 983 18.326 32.753 35.983 1.00 0.00 H ATOM 2467 HH21 ARG A 983 19.762 31.770 35.519 1.00 0.00 H ATOM 2468 H ARG A 983 22.018 29.849 29.361 1.00 0.00 H TER 2469 ARG A 983 HETATM 2470 O HOH 1 1.962 42.496 20.119 1.00 29.91 O HETATM 2471 O HOH 2 -2.346 13.959 36.744 1.00 27.21 O HETATM 2472 O HOH 3 22.338 40.488 21.048 1.00 37.48 O HETATM 2473 O HOH 4 17.000 33.337 8.738 1.00 22.82 O HETATM 2474 O HOH 5 0.801 15.506 19.651 1.00 17.76 O HETATM 2475 O HOH 6 12.598 24.587 43.434 1.00 17.98 O HETATM 2476 O HOH 7 11.210 36.009 40.749 1.00 33.04 O HETATM 2477 O HOH 8 17.362 19.632 40.898 1.00 27.25 O HETATM 2478 O HOH 9 14.161 9.079 38.961 1.00 20.05 O HETATM 2479 O HOH 10 1.511 47.923 23.697 1.00 23.83 O HETATM 2480 O HOH 11 14.620 9.371 34.951 1.00 17.97 O HETATM 2481 O HOH 12 15.351 7.185 22.449 1.00 17.09 O HETATM 2482 O HOH 13 14.679 5.458 24.555 1.00 32.21 O HETATM 2483 O HOH 14 -3.223 13.238 19.637 1.00 31.51 O HETATM 2484 O HOH 15 15.880 26.899 41.839 1.00 42.95 O HETATM 2485 O HOH 16 20.713 17.895 41.967 1.00 33.87 O HETATM 2486 O HOH 17 18.356 14.306 31.627 1.00 14.99 O HETATM 2487 O HOH 18 14.106 40.700 6.669 1.00 28.73 O HETATM 2488 O HOH 19 -13.232 28.368 41.472 1.00 23.05 O HETATM 2489 O HOH 20 13.521 46.196 12.030 1.00 30.96 O HETATM 2490 O HOH 21 -10.119 25.761 53.930 1.00 21.75 O HETATM 2491 O HOH 22 20.782 24.489 34.630 1.00 25.25 O HETATM 2492 O HOH 23 18.833 16.509 26.299 1.00 35.60 O HETATM 2493 O HOH 24 13.984 11.782 41.926 1.00 26.65 O HETATM 2494 O HOH 25 -1.126 45.320 24.461 1.00 24.29 O HETATM 2495 O HOH 26 9.378 26.083 49.685 1.00 12.99 O HETATM 2496 O HOH 27 1.279 49.362 30.689 1.00 46.98 O HETATM 2497 O HOH 28 -7.137 17.033 23.122 1.00 23.05 O HETATM 2498 O HOH 29 -4.839 20.609 49.987 1.00 14.44 O HETATM 2499 O HOH 30 -11.341 24.450 46.838 1.00 18.12 O HETATM 2500 O HOH 31 16.525 11.217 40.984 1.00 20.35 O HETATM 2501 O HOH 32 17.368 13.697 18.192 1.00 26.08 O HETATM 2502 O HOH 33 15.481 20.308 42.650 1.00 20.61 O HETATM 2503 O HOH 34 -1.119 51.046 28.907 1.00 35.99 O HETATM 2504 O HOH 35 15.436 36.433 6.388 1.00 17.19 O HETATM 2505 O HOH 36 2.384 15.484 15.818 1.00 22.89 O HETATM 2506 O HOH 37 -5.333 28.272 12.847 1.00 26.19 O HETATM 2507 O HOH 38 11.213 44.997 5.869 1.00 33.56 O HETATM 2508 O HOH 39 19.585 34.435 9.362 1.00 15.22 O HETATM 2509 O HOH 40 5.551 39.657 48.898 1.00 20.42 O HETATM 2510 O HOH 41 -8.327 25.417 45.483 1.00 32.09 O HETATM 2511 O HOH 42 -10.551 22.597 32.029 1.00 17.39 O HETATM 2512 O HOH 43 0.566 49.001 36.054 1.00 33.07 O HETATM 2513 O HOH 44 11.510 25.549 42.990 1.00 17.83 O HETATM 2514 O HOH 45 -8.110 18.342 46.481 1.00 26.87 O HETATM 2515 O HOH 46 -10.119 21.885 46.162 1.00 18.00 O HETATM 2516 O HOH 47 13.873 39.821 9.267 1.00 18.64 O HETATM 2517 O HOH 48 -11.874 28.174 48.897 1.00 45.77 O HETATM 2518 O HOH 49 20.123 41.460 14.653 1.00 16.22 O HETATM 2519 O HOH 50 -12.148 24.523 31.081 1.00 32.94 O HETATM 2520 O HOH 51 17.153 13.372 29.287 1.00 17.45 O HETATM 2521 O HOH 52 20.297 21.437 38.026 1.00 45.46 O HETATM 2522 O HOH 53 12.524 11.051 40.042 1.00 26.79 O HETATM 2523 O HOH 54 -7.797 28.127 14.434 1.00 40.04 O HETATM 2524 O HOH 55 11.668 46.823 8.738 1.00 32.93 O HETATM 2525 O HOH 56 15.849 30.583 41.723 1.00 47.84 O HETATM 2526 O HOH 57 2.267 31.756 55.956 1.00 48.46 O HETATM 2527 O HOH 58 -16.106 25.070 38.342 1.00 37.26 O HETATM 2528 O HOH 59 11.922 11.054 43.780 1.00 42.68 O HETATM 2529 O HOH 60 -3.693 19.942 49.585 1.00 20.59 O HETATM 2530 O HOH 61 21.206 15.935 44.494 1.00 35.69 O HETATM 2531 O HOH 62 13.340 7.110 32.307 1.00 38.54 O HETATM 2532 O HOH 63 -10.365 21.056 29.767 1.00 18.91 O HETATM 2533 O HOH 64 5.481 41.557 13.566 1.00 34.78 O HETATM 2534 O HOH 65 2.548 43.476 17.665 1.00 44.86 O HETATM 2535 O HOH 66 -5.483 46.813 25.938 1.00 45.49 O HETATM 2536 O HOH 67 7.290 45.425 7.478 1.00 46.95 O HETATM 2537 O HOH 68 9.094 4.207 25.015 1.00 44.14 O HETATM 2538 O HOH 69 -0.156 15.496 16.996 1.00 31.01 O HETATM 2539 O HOH 70 1.031 50.046 33.287 1.00 47.32 O HETATM 2540 O HOH 71 -11.517 26.027 56.254 1.00 32.02 O HETATM 2541 O HOH 72 -5.945 15.001 34.224 1.00 28.24 O HETATM 2542 O HOH 73 -1.982 38.218 12.335 1.00 37.96 O HETATM 2543 O HOH 74 -11.488 22.090 27.499 1.00 27.21 O HETATM 2544 O HOH 75 14.093 22.435 41.617 1.00 27.77 O HETATM 2545 O HOH 76 11.314 23.190 41.272 1.00 25.69 O HETATM 2546 O HOH 77 -7.288 14.269 22.456 1.00 37.40 O HETATM 2547 O HOH 78 21.923 18.806 29.472 1.00 37.56 O HETATM 2548 O HOH 79 9.818 21.280 30.932 1.00 10.88 O HETATM 2549 O HOH 80 1.536 27.232 22.532 1.00 12.47 O HETATM 2550 O HOH 81 -2.654 31.012 32.930 1.00 13.00 O HETATM 2551 O HOH 82 -1.077 26.947 21.432 1.00 13.03 O HETATM 2552 O HOH 83 12.532 28.714 30.623 1.00 16.68 O HETATM 2553 O HOH 84 6.757 24.375 36.490 1.00 18.08 O HETATM 2554 O HOH 85 10.536 13.874 18.457 1.00 16.89 O HETATM 2555 O HOH 86 9.953 10.669 31.948 1.00 15.12 O HETATM 2556 O HOH 87 7.035 21.919 38.335 1.00 13.14 O HETATM 2557 O HOH 88 8.788 17.907 16.557 1.00 18.96 O HETATM 2558 O HOH 89 11.236 12.308 25.048 1.00 14.23 O HETATM 2559 O HOH 90 0.141 30.445 16.556 1.00 15.59 O HETATM 2560 O HOH 91 8.414 15.384 17.829 1.00 16.81 O HETATM 2561 O HOH 92 10.538 27.592 32.259 1.00 18.20 O HETATM 2562 O HOH 93 -7.212 22.838 25.898 1.00 17.14 O HETATM 2563 O HOH 94 9.237 25.166 35.031 1.00 24.26 O HETATM 2564 O HOH 95 0.045 39.164 17.435 1.00 21.88 O HETATM 2565 O HOH 96 -7.490 29.255 30.056 1.00 19.75 O HETATM 2566 O HOH 97 -1.646 46.779 38.505 1.00 14.88 O HETATM 2567 O HOH 98 -1.092 32.221 14.752 1.00 19.28 O HETATM 2568 O HOH 99 -14.850 29.353 32.356 1.00 23.98 O HETATM 2569 O HOH 100 6.072 10.146 34.008 1.00 21.04 O HETATM 2570 O HOH 101 -8.195 32.797 32.460 1.00 18.40 O HETATM 2571 O HOH 102 5.963 5.790 28.280 1.00 22.37 O HETATM 2572 O HOH 103 9.705 21.662 39.446 1.00 19.93 O HETATM 2573 O HOH 104 9.345 12.157 35.907 1.00 23.63 O HETATM 2574 O HOH 105 15.193 28.784 28.836 1.00 21.00 O HETATM 2575 O HOH 106 2.479 42.772 50.811 1.00 25.87 O HETATM 2576 O HOH 107 -9.716 28.596 53.388 1.00 23.92 O HETATM 2577 O HOH 108 -0.505 25.664 27.084 1.00 28.76 O HETATM 2578 O HOH 109 8.774 38.054 14.921 1.00 27.67 O HETATM 2579 O HOH 110 6.855 43.120 17.185 1.00 26.32 O HETATM 2580 O HOH 111 1.762 9.413 22.379 1.00 38.59 O HETATM 2581 O HOH 112 -5.421 37.341 54.694 1.00 33.43 O HETATM 2582 O HOH 113 21.240 24.748 30.343 1.00 25.61 O HETATM 2583 O HOH 114 10.219 22.213 37.433 1.00 33.13 O HETATM 2584 O HOH 115 20.012 33.867 30.515 1.00 22.31 O HETATM 2585 O HOH 116 2.911 40.069 50.041 1.00 24.61 O HETATM 2586 O HOH 117 -10.445 32.760 24.683 1.00 31.00 O HETATM 2587 O HOH 118 -12.995 41.515 36.974 1.00 31.56 O HETATM 2588 O HOH 119 4.594 5.856 24.989 1.00 28.25 O HETATM 2589 O HOH 120 -5.701 30.091 28.043 1.00 23.35 O HETATM 2590 O HOH 121 -4.896 35.352 22.925 1.00 31.82 O HETATM 2591 O HOH 122 8.145 35.159 9.607 1.00 24.73 O HETATM 2592 O HOH 123 7.216 11.261 42.742 1.00 28.95 O HETATM 2593 O HOH 124 11.579 12.351 36.781 1.00 30.78 O HETATM 2594 O HOH 125 7.941 29.259 12.345 1.00 24.38 O HETATM 2595 O HOH 126 -10.491 33.537 54.683 1.00 33.64 O HETATM 2596 O HOH 127 14.723 39.941 26.976 1.00 27.06 O HETATM 2597 O HOH 128 17.710 35.738 31.215 1.00 20.75 O HETATM 2598 O HOH 129 13.326 25.295 25.879 1.00 21.51 O HETATM 2599 O HOH 130 12.680 43.654 17.941 1.00 26.73 O HETATM 2600 O HOH 131 7.404 14.243 15.607 1.00 30.36 O HETATM 2601 O HOH 132 10.401 8.188 32.972 1.00 31.96 O HETATM 2602 O HOH 133 -13.653 35.229 47.021 1.00 26.15 O HETATM 2603 O HOH 134 7.240 14.677 37.164 1.00 23.39 O HETATM 2604 O HOH 135 -2.369 48.648 40.326 1.00 26.51 O HETATM 2605 O HOH 136 -9.565 23.919 26.581 1.00 22.96 O HETATM 2606 O HOH 137 -14.413 33.720 53.699 1.00 46.79 O HETATM 2607 O HOH 138 16.164 32.593 35.248 1.00 16.22 O HETATM 2608 O HOH 139 -13.397 33.280 45.206 1.00 22.88 O HETATM 2609 O HOH 140 11.748 16.282 12.883 1.00 40.19 O HETATM 2610 O HOH 141 9.948 24.342 32.236 1.00 28.99 O HETATM 2611 O HOH 142 -3.093 31.229 56.116 1.00 26.94 O HETATM 2612 O HOH 143 5.488 11.492 36.433 1.00 31.31 O HETATM 2613 O HOH 144 12.244 36.715 36.143 1.00 30.59 O HETATM 2614 O HOH 145 -5.771 39.782 52.366 1.00 25.78 O HETATM 2615 O HOH 146 4.285 13.129 47.301 1.00 48.92 O HETATM 2616 O HOH 147 -12.292 41.302 30.331 1.00 35.76 O HETATM 2617 O HOH 148 15.433 18.604 14.252 1.00 49.83 O HETATM 2618 O HOH 149 9.460 41.233 42.965 1.00 30.88 O HETATM 2619 O HOH 150 12.182 44.084 15.636 1.00 41.91 O HETATM 2620 O HOH 151 -3.888 37.794 19.849 1.00 33.84 O HETATM 2621 O HOH 152 0.627 14.334 22.731 1.00 22.76 O HETATM 2622 O HOH 153 -7.236 31.908 23.855 1.00 32.51 O HETATM 2623 O HOH 154 -0.691 18.940 52.443 1.00 30.80 O HETATM 2624 O HOH 155 19.303 25.352 25.314 1.00 36.24 O HETATM 2625 O HOH 156 3.960 36.996 14.296 1.00 30.67 O HETATM 2626 O HOH 157 -6.461 30.905 19.433 1.00 35.84 O HETATM 2627 O HOH 158 -8.922 25.397 22.007 1.00 71.30 O HETATM 2628 O HOH 159 12.679 39.154 31.597 1.00 33.94 O HETATM 2629 O HOH 160 16.728 14.937 27.135 1.00 24.06 O HETATM 2630 O HOH 161 4.978 26.726 11.395 1.00 26.11 O HETATM 2631 O HOH 162 -1.091 21.372 57.050 1.00 34.16 O HETATM 2632 O HOH 163 3.134 6.983 31.574 1.00 32.52 O HETATM 2633 O HOH 164 4.213 8.235 33.845 1.00 29.63 O HETATM 2634 O HOH 165 16.573 30.085 37.084 1.00 28.50 O HETATM 2635 O HOH 166 -17.006 34.948 39.027 1.00 30.40 O HETATM 2636 O HOH 167 6.000 37.018 14.858 1.00 29.57 O HETATM 2637 O HOH 168 -15.217 39.432 39.456 1.00 30.88 O HETATM 2638 O HOH 169 -4.442 49.056 43.757 1.00 32.04 O HETATM 2639 O HOH 170 15.037 26.403 27.608 1.00 15.20 O HETATM 2640 O HOH 171 -10.244 25.673 24.669 1.00 21.75 O HETATM 2641 O HOH 172 -12.555 41.851 32.927 1.00 38.50 O HETATM 2642 O HOH 173 -1.421 30.972 12.261 1.00 33.47 O HETATM 2643 O HOH 174 -10.986 43.864 48.893 1.00 32.87 O HETATM 2644 O HOH 175 -0.141 14.006 27.264 1.00 40.85 O HETATM 2645 O HOH 176 18.851 19.354 25.250 1.00 35.92 O HETATM 2646 O HOH 177 -1.841 19.743 54.911 1.00 30.38 O HETATM 2647 O HOH 178 -1.072 11.901 22.629 1.00 38.53 O HETATM 2648 O HOH 179 12.528 12.873 47.589 1.00 35.24 O HETATM 2649 O HOH 180 -8.395 45.568 44.431 1.00 33.46 O HETATM 2650 O HOH 181 -8.055 30.048 21.964 1.00 36.22 O HETATM 2651 O HOH 182 -8.378 22.642 56.939 1.00 41.14 O HETATM 2652 O HOH 183 7.381 30.639 9.997 1.00 58.95 O HETATM 2653 O HOH 184 6.299 10.017 38.702 1.00 41.11 O HETATM 2654 O HOH 185 0.036 38.263 15.022 1.00 40.45 O HETATM 2655 O HOH 186 14.814 38.994 29.690 1.00 38.52 O HETATM 2656 O HOH 187 -10.647 23.849 58.035 1.00 36.45 O HETATM 2657 O HOH 188 23.029 26.082 33.364 1.00 45.24 O HETATM 2658 O HOH 189 2.127 29.471 9.034 1.00 41.48 O HETATM 2659 O HOH 190 2.133 8.501 35.608 1.00 44.71 O HETATM 2660 O HOH 191 19.966 26.076 22.113 1.00 44.14 O HETATM 2661 O HOH 192 -10.636 29.416 51.034 1.00 35.67 O HETATM 2662 O HOH 193 6.886 16.956 14.441 1.00 39.41 O HETATM 2663 O HOH 194 -3.302 43.695 52.074 1.00 34.31 O HETATM 2664 O HOH 195 14.058 45.910 30.355 1.00 50.07 O HETATM 2665 O HOH 196 3.810 4.884 29.957 1.00 35.61 O HETATM 2666 O HOH 197 -6.820 49.838 40.169 1.00 55.45 O HETATM 2667 O HOH 198 -12.039 44.092 45.602 1.00108.79 O HETATM 2668 O HOH 199 7.973 48.215 18.799 1.00 42.30 O HETATM 2669 O HOH 200 -2.358 36.811 15.184 1.00 58.76 O HETATM 2670 O HOH 201 7.943 41.597 15.144 1.00 42.31 O HETATM 2671 O HOH 202 -14.659 40.357 47.875 1.00 42.37 O HETATM 2672 O HOH 203 2.415 10.848 43.835 1.00 48.39 O HETATM 2673 O HOH 204 15.302 37.039 35.811 1.00 40.33 O HETATM 2674 O HOH 205 0.046 12.211 42.116 1.00 34.35 O HETATM 2675 O HOH 206 1.536 17.303 52.278 1.00 48.39 O HETATM 2676 O HOH 207 -0.440 46.170 38.853 1.00 24.12 O HETATM 2677 O HOH 208 8.388 8.714 34.921 1.00 43.46 O HETATM 2678 O HOH 209 17.523 20.427 22.911 1.00 37.80 O HETATM 2679 O HOH 210 -2.031 31.561 58.604 1.00 44.39 O HETATM 2680 O HOH 211 11.441 40.555 33.888 1.00 40.52 O HETATM 2681 O HOH 212 15.966 28.273 38.494 1.00 47.50 O HETATM 2682 O HOH 213 6.298 6.128 34.811 1.00 51.97 O HETATM 2683 O HOH 214 0.409 41.721 52.356 1.00 40.82 O HETATM 2684 O HOH 215 3.100 38.818 52.578 1.00 44.88 O HETATM 2685 O HOH 216 19.717 40.689 21.831 1.00 24.36 O HETATM 2686 O HOH 217 -4.622 32.486 28.339 1.00 17.71 O HETATM 2687 O HOH 218 -3.398 33.003 27.309 1.00 34.11 O HETATM 2688 O HOH 219 -3.139 29.058 27.325 1.00 25.64 O HETATM 2689 O HOH 220 10.641 38.824 36.556 1.00 34.24 O HETATM 2690 O HOH 221 24.887 26.184 32.282 1.00 30.74 O HETATM 2691 O HOH 222 24.678 33.693 24.931 1.00 45.30 O HETATM 2692 O HOH 223 21.079 30.826 36.629 1.00 33.56 O HETATM 2693 O HOH 224 -1.058 32.056 53.251 1.00 32.86 O HETATM 2694 N1 HFN A 225 -0.449 30.394 38.628 1.00 -0.20 N HETATM 2695 C19 HFN A 225 -0.811 30.924 37.308 1.00 0.13 C HETATM 2696 C20 HFN A 225 -2.283 31.428 37.305 1.00 0.30 C HETATM 2697 C21 HFN A 225 -3.320 30.321 37.462 1.00 0.11 C HETATM 2698 O3 HFN A 225 -3.183 29.337 36.455 1.00 -0.39 O HETATM 2699 H HFN A 225 -3.299 29.740 35.602 1.00 0.21 H HETATM 2700 H HFN A 225 -4.326 30.761 37.397 1.00 0.06 H HETATM 2701 H HFN A 225 -3.190 29.846 38.446 1.00 0.06 H HETATM 2702 F3 HFN A 225 -2.513 32.268 38.352 1.00 -0.20 F HETATM 2703 F2 HFN A 225 -2.530 32.087 36.185 1.00 -0.20 F HETATM 2704 H HFN A 225 -0.700 30.129 36.556 1.00 0.07 H HETATM 2705 H HFN A 225 -0.142 31.761 37.059 1.00 0.07 H HETATM 2706 N2 HFN A 225 -0.877 29.123 38.907 1.00 -0.22 N HETATM 2707 C3 HFN A 225 -0.625 28.936 40.207 1.00 0.02 C HETATM 2708 C18 HFN A 225 -0.942 27.641 40.890 1.00 -0.03 C HETATM 2709 H HFN A 225 -0.655 27.706 41.950 1.00 0.04 H HETATM 2710 H HFN A 225 -0.383 26.826 40.408 1.00 0.04 H HETATM 2711 H HFN A 225 -2.021 27.441 40.814 1.00 0.04 H HETATM 2712 C1 HFN A 225 -0.005 30.090 40.741 1.00 0.00 C HETATM 2713 C5 HFN A 225 0.492 30.178 42.119 1.00 -0.06 C HETATM 2714 C4 HFN A 225 -0.365 29.727 43.140 1.00 -0.05 C HETATM 2715 C8 HFN A 225 0.048 29.654 44.448 1.00 0.09 C HETATM 2716 N3 HFN A 225 -0.805 29.172 45.436 1.00 -0.24 N HETATM 2717 C11 HFN A 225 -0.493 29.202 46.714 1.00 0.23 C HETATM 2718 C10 HFN A 225 0.786 29.945 47.089 1.00 0.16 C HETATM 2719 O1 HFN A 225 1.783 29.915 46.041 1.00 -0.30 O HETATM 2720 C9 HFN A 225 1.360 30.047 44.742 1.00 0.11 C HETATM 2721 C7 HFN A 225 2.239 30.517 43.745 1.00 -0.05 C HETATM 2722 C6 HFN A 225 1.804 30.574 42.411 1.00 -0.08 C HETATM 2723 H HFN A 225 2.468 30.916 41.625 1.00 0.04 H HETATM 2724 H HFN A 225 3.243 30.832 44.006 1.00 0.05 H HETATM 2725 H HFN A 225 0.533 30.994 47.302 1.00 0.09 H HETATM 2726 H HFN A 225 1.211 29.480 47.991 1.00 0.09 H HETATM 2727 O2 HFN A 225 -1.192 28.689 47.548 1.00 -0.38 O HETATM 2728 H HFN A 225 -1.688 28.789 45.165 1.00 0.22 H HETATM 2729 H HFN A 225 -1.377 29.430 42.888 1.00 0.04 H HETATM 2730 C2 HFN A 225 0.081 30.987 39.713 1.00 0.09 C HETATM 2731 C12 HFN A 225 0.641 32.376 39.689 1.00 0.01 C HETATM 2732 C13 HFN A 225 0.199 33.282 40.643 1.00 -0.05 C HETATM 2733 C14 HFN A 225 0.702 34.565 40.653 1.00 -0.03 C HETATM 2734 C15 HFN A 225 1.638 34.906 39.688 1.00 0.13 C HETATM 2735 C16 HFN A 225 2.119 34.018 38.735 1.00 -0.03 C HETATM 2736 C17 HFN A 225 1.605 32.732 38.728 1.00 -0.05 C HETATM 2737 H HFN A 225 1.941 32.010 37.992 1.00 0.06 H HETATM 2738 H HFN A 225 2.874 34.322 38.019 1.00 0.06 H HETATM 2739 F1 HFN A 225 2.098 36.170 39.677 1.00 -0.18 F HETATM 2740 H HFN A 225 0.376 35.286 41.393 1.00 0.06 H HETATM 2741 H HFN A 225 -0.539 32.981 41.378 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 2694 2695 2706 2730 CONECT 2695 2694 2696 2704 2705 CONECT 2696 2695 2697 2702 2703 CONECT 2697 2696 2698 2700 2701 CONECT 2698 2697 2699 CONECT 2699 2698 CONECT 2700 2697 CONECT 2701 2697 CONECT 2702 2696 CONECT 2703 2696 CONECT 2704 2695 CONECT 2705 2695 CONECT 2706 2694 2707 CONECT 2707 2706 2708 2712 CONECT 2708 2707 2709 2710 2711 CONECT 2709 2708 CONECT 2710 2708 CONECT 2711 2708 CONECT 2712 2707 2713 2730 CONECT 2713 2712 2714 2722 CONECT 2714 2713 2715 2729 CONECT 2715 2714 2716 2720 CONECT 2716 2715 2717 2728 CONECT 2717 2716 2718 2727 CONECT 2718 2717 2719 2725 2726 CONECT 2719 2718 2720 CONECT 2720 2715 2719 2721 CONECT 2721 2720 2722 2724 CONECT 2722 2713 2721 2723 CONECT 2723 2722 CONECT 2724 2721 CONECT 2725 2718 CONECT 2726 2718 CONECT 2727 2717 CONECT 2728 2716 CONECT 2729 2714 CONECT 2730 2694 2712 2731 CONECT 2731 2730 2732 2736 CONECT 2732 2731 2733 2741 CONECT 2733 2732 2734 2740 CONECT 2734 2733 2735 2739 CONECT 2735 2734 2736 2738 CONECT 2736 2731 2735 2737 CONECT 2737 2736 CONECT 2738 2735 CONECT 2739 2734 CONECT 2740 2733 CONECT 2741 2732 MASTER 0 0 0 0 0 0 0 0 2740 1 52 20 END
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Complexes with the same small molecule ligand
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Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4pf3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Mineralocorticoid receptor
Ligand Name
HFN
EC.Number
E.C.-.-.-.-
Resolution
1.1(Å)
Affinity (Kd/Ki/IC50)
IC50=51nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Bioorg.Med.Chem. Vol. 22: pp. 5428-5445
Ligand Properties
Formula
C
2
1
H
1
8
F
3
N
3
O
3
Molecular Weight
417.381
Exact Mass
417.130
No. of atoms
48
No. of bonds
51
Polar Surface Area
76.38
LOGP Value
2.90 (
Computed with XLOGP3
)
3.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
OCC(Cn1nc(c(c1c1ccc(cc1)F)c1ccc2c(c1)NC(=O)CO2)C)(F)F
InChI String
InChI=1S/C21H18F3N3O3/c1-12-19(14-4-7-17-16(8-14)25-18(29)9-30-17)20(13-2-5-15(22)6-3-13)27(26-12)10-21(23,24)11-28/h2-8,28H,9-11H2,1H3,(H,25,29)
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):
P08235
Entrez Gene ID
NCBI Entrez Gene ID:
4306
ASD
Information of known allosteric effects of PDB entries
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