HEADER HYDROLASE/DNA 17-NOV-93 XXXX TITLE SUBSITE BINDING IN AN RNASE: STRUCTURE OF A BARNASE- TITLE 2 TETRANUCLEOTIDE COMPLEX AT 1.76 ANGSTROMS RESOLUTION COMPND BARNASE (E.C.3.1.27.-)/DNA COMPLEX KEYWDS PROTEIN-DNA COMPLEX, HYDROLASE/DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR A.M.BUCKLE, A.R.FERSHT JRNL AUTH A.M.BUCKLE, A.R.FERSHT JRNL TITL SUBSITE BINDING IN AN RNASE: STRUCTURE OF A JRNL TITL 2 BARNASE-TETRANUCLEOTIDE COMPLEX AT 1.76-A JRNL TITL 3 RESOLUTION. JRNL REF BIOCHEMISTRY V. 33 1644 1994 JRNL REFN ASTM BICHAW US ISSN 0006-2960 JRNL PMID 8110767 JRNL DOI 10.1021/BI00173A005 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Y.MAUGUEN, R.W.HARTLEY, E.J.DODSON, G.G.DODSON, REMARK 1 AUTH 2 G.BRICOGNE, C.CHOTHIA, A.JACK REMARK 1 TITL MOLECULAR STRUCTURES OF A NEW FAMILY OF REMARK 1 TITL 2 RIBONUCLEASES REMARK 1 REF NATURE V. 297 162 1982 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 SEQRES 1 A 4 DC DG DA DC SEQRES 1 B 4 DC DG DA DC SEQRES 1 L 110 ALA GLN VAL ILE ASN THR PHE ASP GLY VAL ALA ASP TYR SEQRES 2 L 110 LEU GLN THR TYR HIS LYS LEU PRO ASP ASN TYR ILE THR SEQRES 3 L 110 LYS SER GLU ALA GLN ALA LEU GLY TRP VAL ALA SER LYS SEQRES 4 L 110 GLY ASN LEU ALA ASP VAL ALA PRO GLY LYS SER ILE GLY SEQRES 5 L 110 GLY ASP ILE PHE SER ASN ARG GLU GLY LYS LEU PRO GLY SEQRES 6 L 110 LYS SER GLY ARG THR TRP ARG GLU ALA ASP ILE ASN TYR SEQRES 7 L 110 THR SER GLY PHE ARG ASN SER ASP ARG ILE LEU TYR SER SEQRES 8 L 110 SER ASP TRP LEU ILE TYR LYS THR THR ASP HIS TYR GLN SEQRES 9 L 110 THR PHE THR LYS ILE ARG SEQRES 1 M 110 ALA GLN VAL ILE ASN THR PHE ASP GLY VAL ALA ASP TYR SEQRES 2 M 110 LEU GLN THR TYR HIS LYS LEU PRO ASP ASN TYR ILE THR SEQRES 3 M 110 LYS SER GLU ALA GLN ALA LEU GLY TRP VAL ALA SER LYS SEQRES 4 M 110 GLY ASN LEU ALA ASP VAL ALA PRO GLY LYS SER ILE GLY SEQRES 5 M 110 GLY ASP ILE PHE SER ASN ARG GLU GLY LYS LEU PRO GLY SEQRES 6 M 110 LYS SER GLY ARG THR TRP ARG GLU ALA ASP ILE ASN TYR SEQRES 7 M 110 THR SER GLY PHE ARG ASN SER ASP ARG ILE LEU TYR SER SEQRES 8 M 110 SER ASP TRP LEU ILE TYR LYS THR THR ASP HIS TYR GLN SEQRES 9 M 110 THR PHE THR LYS ILE ARG FORMUL 5 HOH *229(H2 O) HELIX 1 1L THR L 6 HIS L 18 1 13 HELIX 2 2L THR L 26 GLY L 34 1 9 HELIX 3 3L ASN L 41 ALA L 46 5 6 HELIX 4 1M THR M 6 HIS M 18 1 13 HELIX 5 2M THR M 26 GLY M 34 1 9 HELIX 6 3M ASN M 41 ALA M 46 5 6 SHEET 1 1L 5 ILE L 51 PHE L 56 0 SHEET 2 1L 5 THR L 70 ILE L 76 1 SHEET 3 1L 5 ASP L 86 SER L 92 -1 SHEET 4 1L 5 LEU L 95 THR L 99 1 SHEET 5 1L 5 LYS L 108 ILE L 109 -1 SHEET 1 1M 5 ILE M 51 PHE M 56 0 SHEET 2 1M 5 THR M 70 ILE M 76 1 SHEET 3 1M 5 ASP M 86 SER M 92 -1 SHEET 4 1M 5 LEU M 95 THR M 99 1 SHEET 5 1M 5 LYS M 108 ILE M 109 -1 CRYST1 39.866 54.286 29.607 107.77 89.05 96.37 P 1 2 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.025084 0.002800 0.000461 0.00000 SCALE2 0.000000 0.018535 0.005942 0.00000 SCALE3 0.000000 0.000000 0.035474 0.00000 MODEL 1 ATOM 1 O3' DC B 1 21.424 34.573 29.085 1.00 22.50 O ATOM 2 P DG B 2 21.059 35.857 28.215 1.00 22.37 P ATOM 3 OP1 DG B 2 21.386 37.079 29.059 1.00 22.75 O ATOM 4 OP2 DG B 2 19.692 35.654 27.719 1.00 19.63 O ATOM 5 O5' DG B 2 22.181 35.833 27.022 1.00 20.20 O ATOM 6 C5' DG B 2 21.883 36.382 25.734 1.00 17.84 C ATOM 7 C4' DG B 2 22.160 35.363 24.631 1.00 14.98 C ATOM 8 O4' DG B 2 23.571 35.269 24.459 1.00 15.31 O ATOM 9 C3' DG B 2 21.618 33.920 24.892 1.00 14.69 C ATOM 10 O3' DG B 2 21.452 33.271 23.621 1.00 12.15 O ATOM 11 C2' DG B 2 22.835 33.282 25.559 1.00 15.04 C ATOM 12 C1' DG B 2 24.020 34.008 24.893 1.00 13.41 C ATOM 13 N9 DG B 2 25.176 34.196 25.799 1.00 12.49 N ATOM 14 C8 DG B 2 25.480 35.235 26.693 1.00 11.66 C ATOM 15 N7 DG B 2 26.666 35.105 27.240 1.00 11.77 N ATOM 16 C5 DG B 2 27.217 33.994 26.603 1.00 9.66 C ATOM 17 C6 DG B 2 28.504 33.394 26.741 1.00 9.23 C ATOM 18 O6 DG B 2 29.496 33.811 27.319 1.00 12.37 O ATOM 19 N1 DG B 2 28.587 32.185 26.104 1.00 10.42 N ATOM 20 C2 DG B 2 27.628 31.673 25.237 1.00 12.01 C ATOM 21 N2 DG B 2 27.981 30.559 24.533 1.00 14.30 N ATOM 22 N3 DG B 2 26.417 32.267 25.016 1.00 9.67 N ATOM 23 C4 DG B 2 26.265 33.383 25.795 1.00 11.62 C ATOM 24 P DA B 3 20.366 33.802 22.661 1.00 12.47 P ATOM 25 OP1 DA B 3 21.020 34.584 21.627 1.00 12.60 O ATOM 26 OP2 DA B 3 19.221 34.284 23.429 1.00 12.91 O ATOM 27 O5' DA B 3 19.982 32.406 21.926 1.00 13.72 O ATOM 28 C5' DA B 3 18.938 31.553 22.403 1.00 11.41 C ATOM 29 C4' DA B 3 18.034 31.302 21.247 1.00 9.73 C ATOM 30 O4' DA B 3 18.808 30.915 20.080 1.00 10.55 O ATOM 31 C3' DA B 3 16.937 30.238 21.524 1.00 8.53 C ATOM 32 O3' DA B 3 15.800 30.654 20.743 1.00 11.49 O ATOM 33 C2' DA B 3 17.575 29.018 20.809 1.00 8.23 C ATOM 34 C1' DA B 3 18.201 29.691 19.580 1.00 9.67 C ATOM 35 N9 DA B 3 19.273 28.922 18.888 1.00 9.03 N ATOM 36 C8 DA B 3 19.485 28.942 17.549 1.00 8.94 C ATOM 37 N7 DA B 3 20.503 28.221 17.183 1.00 8.89 N ATOM 38 C5 DA B 3 20.920 27.614 18.327 1.00 8.55 C ATOM 39 C6 DA B 3 21.947 26.683 18.551 1.00 10.13 C ATOM 40 N6 DA B 3 22.656 26.207 17.545 1.00 11.82 N ATOM 41 N1 DA B 3 22.144 26.298 19.772 1.00 9.50 N ATOM 42 C2 DA B 3 21.338 26.711 20.729 1.00 11.93 C ATOM 43 N3 DA B 3 20.338 27.583 20.674 1.00 11.87 N ATOM 44 C4 DA B 3 20.186 28.021 19.403 1.00 9.54 C ATOM 45 P DC B 4 14.520 31.480 21.296 1.00 11.01 P ATOM 46 OP1 DC B 4 13.546 31.661 20.198 1.00 9.89 O ATOM 47 OP2 DC B 4 14.977 32.636 22.136 1.00 13.28 O ATOM 48 O5' DC B 4 14.066 30.390 22.343 1.00 12.22 O ATOM 49 C5' DC B 4 13.285 29.244 21.934 1.00 13.58 C ATOM 50 C4' DC B 4 13.588 28.036 22.797 1.00 18.00 C ATOM 51 O4' DC B 4 14.908 27.599 22.525 1.00 17.92 O ATOM 52 C3' DC B 4 13.591 28.389 24.271 1.00 18.84 C ATOM 53 O3' DC B 4 12.225 28.276 24.728 1.00 19.40 O ATOM 54 C2' DC B 4 14.560 27.359 24.902 1.00 19.97 C ATOM 55 C1' DC B 4 15.403 26.906 23.721 1.00 20.52 C ATOM 56 N1 DC B 4 16.900 26.918 23.961 1.00 21.52 N ATOM 57 C2 DC B 4 17.625 25.782 23.551 1.00 22.81 C ATOM 58 O2 DC B 4 17.068 24.791 23.074 1.00 23.24 O ATOM 59 N3 DC B 4 18.970 25.808 23.607 1.00 22.40 N ATOM 60 C4 DC B 4 19.640 26.928 23.875 1.00 23.26 C ATOM 61 N4 DC B 4 20.964 26.849 23.950 1.00 23.92 N ATOM 62 C5 DC B 4 18.941 28.139 24.225 1.00 22.13 C ATOM 63 C6 DC B 4 17.590 28.053 24.363 1.00 23.00 C TER 64 DC B 4 ATOM 65 N VAL M 3 13.747 48.972 8.770 1.00 24.16 N ATOM 66 CA VAL M 3 14.414 47.801 9.352 1.00 23.86 C ATOM 67 C VAL M 3 15.773 47.531 8.702 1.00 22.35 C ATOM 68 O VAL M 3 15.966 47.468 7.481 1.00 23.52 O ATOM 69 CB VAL M 3 13.582 46.509 9.223 1.00 24.82 C ATOM 70 CG1 VAL M 3 14.354 45.338 9.826 1.00 26.21 C ATOM 71 CG2 VAL M 3 12.231 46.673 9.896 1.00 26.17 C ATOM 72 N ILE M 4 16.751 47.367 9.565 1.00 20.63 N ATOM 73 CA ILE M 4 18.132 47.076 9.224 1.00 18.43 C ATOM 74 C ILE M 4 18.430 45.815 10.042 1.00 17.24 C ATOM 75 O ILE M 4 18.463 45.987 11.280 1.00 15.28 O ATOM 76 CB ILE M 4 19.125 48.184 9.588 1.00 18.62 C ATOM 77 CG1 ILE M 4 18.693 49.503 8.934 1.00 19.03 C ATOM 78 CG2 ILE M 4 20.531 47.810 9.147 1.00 17.76 C ATOM 79 CD1 ILE M 4 19.600 50.656 9.325 1.00 19.77 C ATOM 80 N ASN M 5 18.572 44.680 9.353 1.00 15.75 N ATOM 81 CA ASN M 5 18.847 43.471 10.148 1.00 14.63 C ATOM 82 C ASN M 5 19.821 42.490 9.518 1.00 15.31 C ATOM 83 O ASN M 5 19.842 41.325 9.937 1.00 14.40 O ATOM 84 CB ASN M 5 17.531 42.765 10.486 1.00 14.66 C ATOM 85 CG ASN M 5 16.873 42.189 9.252 1.00 14.43 C ATOM 86 OD1 ASN M 5 17.308 42.514 8.154 1.00 14.38 O ATOM 87 ND2 ASN M 5 15.853 41.348 9.421 1.00 17.82 N ATOM 88 N THR M 6 20.605 42.949 8.563 1.00 15.44 N ATOM 89 CA THR M 6 21.589 42.063 7.925 1.00 15.86 C ATOM 90 C THR M 6 22.957 42.345 8.549 1.00 15.44 C ATOM 91 O THR M 6 23.155 43.421 9.148 1.00 14.90 O ATOM 92 CB THR M 6 21.700 42.281 6.415 1.00 17.77 C ATOM 93 OG1 THR M 6 22.218 43.622 6.250 1.00 20.72 O ATOM 94 CG2 THR M 6 20.372 42.130 5.705 1.00 17.14 C ATOM 95 N PHE M 7 23.872 41.398 8.401 1.00 13.52 N ATOM 96 CA PHE M 7 25.210 41.541 8.973 1.00 13.41 C ATOM 97 C PHE M 7 25.868 42.849 8.549 1.00 12.70 C ATOM 98 O PHE M 7 26.329 43.605 9.414 1.00 12.13 O ATOM 99 CB PHE M 7 26.139 40.384 8.605 1.00 14.83 C ATOM 100 CG PHE M 7 25.907 39.133 9.411 1.00 15.63 C ATOM 101 CD1 PHE M 7 26.210 39.094 10.763 1.00 14.43 C ATOM 102 CD2 PHE M 7 25.394 37.993 8.802 1.00 15.16 C ATOM 103 CE1 PHE M 7 25.986 37.932 11.490 1.00 15.60 C ATOM 104 CE2 PHE M 7 25.181 36.845 9.542 1.00 14.57 C ATOM 105 CZ PHE M 7 25.475 36.796 10.889 1.00 13.87 C ATOM 106 N ASP M 8 25.915 43.060 7.231 1.00 12.34 N ATOM 107 CA ASP M 8 26.561 44.282 6.738 1.00 13.01 C ATOM 108 C ASP M 8 25.816 45.564 7.113 1.00 12.61 C ATOM 109 O ASP M 8 26.466 46.570 7.429 1.00 12.79 O ATOM 110 CB ASP M 8 26.751 44.196 5.221 1.00 13.55 C ATOM 111 CG ASP M 8 27.897 43.242 4.890 1.00 17.26 C ATOM 112 OD1 ASP M 8 29.039 43.497 5.330 1.00 19.55 O ATOM 113 OD2 ASP M 8 27.650 42.244 4.186 1.00 19.26 O ATOM 114 N GLY M 9 24.497 45.491 7.032 1.00 12.14 N ATOM 115 CA GLY M 9 23.643 46.643 7.355 1.00 12.03 C ATOM 116 C GLY M 9 23.827 47.080 8.796 1.00 11.83 C ATOM 117 O GLY M 9 24.047 48.264 9.093 1.00 12.22 O ATOM 118 N VAL M 10 23.747 46.102 9.695 1.00 11.85 N ATOM 119 CA VAL M 10 23.903 46.398 11.120 1.00 11.19 C ATOM 120 C VAL M 10 25.337 46.779 11.456 1.00 11.52 C ATOM 121 O VAL M 10 25.563 47.706 12.240 1.00 11.09 O ATOM 122 CB VAL M 10 23.406 45.215 11.976 1.00 11.37 C ATOM 123 CG1 VAL M 10 23.646 45.494 13.457 1.00 9.95 C ATOM 124 CG2 VAL M 10 21.922 44.967 11.687 1.00 10.86 C ATOM 125 N ALA M 11 26.328 46.097 10.883 1.00 11.46 N ATOM 126 CA ALA M 11 27.738 46.396 11.148 1.00 11.40 C ATOM 127 C ALA M 11 28.031 47.845 10.747 1.00 11.86 C ATOM 128 O ALA M 11 28.682 48.575 11.503 1.00 12.31 O ATOM 129 CB ALA M 11 28.666 45.467 10.382 1.00 12.14 C ATOM 130 N ASP M 12 27.548 48.240 9.569 1.00 13.22 N ATOM 131 CA ASP M 12 27.791 49.618 9.101 1.00 13.66 C ATOM 132 C ASP M 12 27.155 50.630 10.056 1.00 14.05 C ATOM 133 O ASP M 12 27.795 51.599 10.454 1.00 13.89 O ATOM 134 CB ASP M 12 27.294 49.785 7.665 1.00 15.58 C ATOM 135 CG ASP M 12 28.199 49.107 6.642 1.00 19.01 C ATOM 136 OD1 ASP M 12 29.315 48.700 7.011 1.00 21.27 O ATOM 137 OD2 ASP M 12 27.815 48.963 5.462 1.00 21.42 O ATOM 138 N TYR M 13 25.897 50.346 10.402 1.00 12.94 N ATOM 139 CA TYR M 13 25.154 51.222 11.317 1.00 12.60 C ATOM 140 C TYR M 13 25.891 51.327 12.642 1.00 12.29 C ATOM 141 O TYR M 13 26.104 52.444 13.159 1.00 12.19 O ATOM 142 CB TYR M 13 23.698 50.749 11.471 1.00 12.55 C ATOM 143 CG TYR M 13 22.842 51.799 12.167 1.00 12.49 C ATOM 144 CD1 TYR M 13 22.855 51.964 13.548 1.00 11.92 C ATOM 145 CD2 TYR M 13 22.018 52.630 11.412 1.00 12.40 C ATOM 146 CE1 TYR M 13 22.067 52.935 14.167 1.00 11.25 C ATOM 147 CE2 TYR M 13 21.248 53.605 12.019 1.00 10.80 C ATOM 148 CZ TYR M 13 21.265 53.740 13.380 1.00 11.10 C ATOM 149 OH TYR M 13 20.457 54.706 13.956 1.00 11.18 O ATOM 150 N LEU M 14 26.288 50.198 13.217 1.00 11.06 N ATOM 151 CA LEU M 14 27.017 50.170 14.488 1.00 11.47 C ATOM 152 C LEU M 14 28.286 51.018 14.426 1.00 12.19 C ATOM 153 O LEU M 14 28.555 51.836 15.320 1.00 12.48 O ATOM 154 CB LEU M 14 27.416 48.742 14.877 1.00 12.81 C ATOM 155 CG LEU M 14 26.353 47.861 15.536 1.00 13.07 C ATOM 156 CD1 LEU M 14 26.875 46.428 15.613 1.00 11.75 C ATOM 157 CD2 LEU M 14 25.974 48.394 16.907 1.00 12.81 C ATOM 158 N GLN M 15 29.063 50.786 13.368 1.00 13.02 N ATOM 159 CA GLN M 15 30.323 51.495 13.143 1.00 13.02 C ATOM 160 C GLN M 15 30.111 53.020 13.064 1.00 12.98 C ATOM 161 O GLN M 15 30.863 53.825 13.648 1.00 13.77 O ATOM 162 CB GLN M 15 30.999 50.972 11.882 1.00 14.24 C ATOM 163 N THR M 16 29.064 53.389 12.348 1.00 12.54 N ATOM 164 CA THR M 16 28.711 54.789 12.149 1.00 13.80 C ATOM 165 C THR M 16 28.080 55.498 13.348 1.00 14.16 C ATOM 166 O THR M 16 28.588 56.569 13.733 1.00 14.71 O ATOM 167 CB THR M 16 27.741 54.962 10.964 1.00 14.03 C ATOM 168 OG1 THR M 16 28.331 54.392 9.790 1.00 15.26 O ATOM 169 CG2 THR M 16 27.496 56.447 10.722 1.00 13.63 C ATOM 170 N TYR M 17 27.019 54.925 13.904 1.00 13.07 N ATOM 171 CA TYR M 17 26.332 55.567 15.020 1.00 12.92 C ATOM 172 C TYR M 17 26.563 55.000 16.406 1.00 13.03 C ATOM 173 O TYR M 17 25.984 55.518 17.383 1.00 12.65 O ATOM 174 CB TYR M 17 24.836 55.577 14.692 1.00 13.06 C ATOM 175 CG TYR M 17 24.521 56.293 13.397 1.00 13.89 C ATOM 176 CD1 TYR M 17 24.698 57.681 13.304 1.00 14.95 C ATOM 177 CD2 TYR M 17 24.003 55.610 12.305 1.00 13.35 C ATOM 178 CE1 TYR M 17 24.389 58.331 12.124 1.00 15.95 C ATOM 179 CE2 TYR M 17 23.687 56.256 11.125 1.00 15.49 C ATOM 180 CZ TYR M 17 23.887 57.629 11.049 1.00 16.67 C ATOM 181 OH TYR M 17 23.577 58.282 9.878 1.00 18.07 O ATOM 182 N HIS M 18 27.377 53.960 16.486 1.00 12.00 N ATOM 183 CA HIS M 18 27.693 53.357 17.772 1.00 12.32 C ATOM 184 C HIS M 18 26.501 52.984 18.640 1.00 11.84 C ATOM 185 O HIS M 18 26.516 53.106 19.864 1.00 12.14 O ATOM 186 CB HIS M 18 28.636 54.269 18.571 1.00 14.95 C ATOM 187 CG HIS M 18 30.003 54.388 17.979 1.00 17.65 C ATOM 188 ND1 HIS M 18 30.501 53.484 17.071 1.00 18.75 N ATOM 189 CD2 HIS M 18 30.995 55.283 18.201 1.00 19.42 C ATOM 190 CE1 HIS M 18 31.731 53.818 16.726 1.00 19.56 C ATOM 191 NE2 HIS M 18 32.056 54.908 17.404 1.00 21.52 N ATOM 192 N LYS M 19 25.464 52.499 18.008 1.00 11.91 N ATOM 193 CA LYS M 19 24.246 52.033 18.628 1.00 12.42 C ATOM 194 C LYS M 19 23.528 51.126 17.629 1.00 11.09 C ATOM 195 O LYS M 19 23.838 51.229 16.442 1.00 10.15 O ATOM 196 CB ALYS M 19 23.316 53.183 19.058 0.50 13.69 C ATOM 197 CB BLYS M 19 23.252 53.105 19.129 0.50 13.62 C ATOM 198 CG ALYS M 19 22.738 54.006 17.931 0.50 15.03 C ATOM 199 CG BLYS M 19 22.643 53.909 17.973 0.50 15.03 C ATOM 200 CD ALYS M 19 21.918 55.161 18.525 0.50 17.85 C ATOM 201 CD BLYS M 19 21.875 55.098 18.533 0.50 17.84 C ATOM 202 CE ALYS M 19 21.413 56.090 17.431 0.50 19.07 C ATOM 203 CE BLYS M 19 21.462 55.966 17.353 0.50 19.00 C ATOM 204 NZ ALYS M 19 20.192 55.588 16.751 0.50 19.18 N ATOM 205 NZ BLYS M 19 20.189 55.542 16.767 0.50 19.18 N ATOM 206 N LEU M 20 22.621 50.308 18.120 1.00 11.16 N ATOM 207 CA LEU M 20 21.874 49.477 17.174 1.00 11.96 C ATOM 208 C LEU M 20 20.763 50.321 16.559 1.00 13.03 C ATOM 209 O LEU M 20 20.288 51.277 17.220 1.00 13.66 O ATOM 210 CB LEU M 20 21.179 48.326 17.905 1.00 11.10 C ATOM 211 CG LEU M 20 22.074 47.229 18.478 1.00 10.62 C ATOM 212 CD1 LEU M 20 21.299 46.440 19.515 1.00 10.85 C ATOM 213 CD2 LEU M 20 22.568 46.357 17.328 1.00 11.40 C ATOM 214 N PRO M 21 20.377 49.909 15.366 1.00 13.60 N ATOM 215 CA PRO M 21 19.280 50.584 14.656 1.00 13.89 C ATOM 216 C PRO M 21 18.024 50.530 15.522 1.00 13.46 C ATOM 217 O PRO M 21 17.986 49.808 16.531 1.00 13.02 O ATOM 218 CB PRO M 21 19.154 49.853 13.340 1.00 14.66 C ATOM 219 CG PRO M 21 20.217 48.785 13.296 1.00 15.32 C ATOM 220 CD PRO M 21 20.990 48.810 14.604 1.00 13.87 C ATOM 221 N ASP M 22 16.969 51.251 15.152 1.00 15.19 N ATOM 222 CA ASP M 22 15.774 51.273 15.988 1.00 16.80 C ATOM 223 C ASP M 22 14.809 50.119 15.951 1.00 15.51 C ATOM 224 O ASP M 22 13.795 50.140 16.669 1.00 15.59 O ATOM 225 CB ASP M 22 14.951 52.562 15.751 1.00 23.33 C ATOM 226 CG ASP M 22 15.154 53.292 17.083 1.00 28.55 C ATOM 227 OD1 ASP M 22 14.515 52.906 18.065 1.00 32.30 O ATOM 228 OD2 ASP M 22 16.065 54.248 17.068 1.00 31.06 O ATOM 229 N ASN M 23 15.135 49.134 15.155 1.00 13.04 N ATOM 230 CA ASN M 23 14.242 47.972 15.107 1.00 12.97 C ATOM 231 C ASN M 23 14.643 46.979 16.187 1.00 11.94 C ATOM 232 O ASN M 23 14.015 45.922 16.265 1.00 12.23 O ATOM 233 CB ASN M 23 14.274 47.345 13.721 1.00 14.16 C ATOM 234 CG ASN M 23 15.662 47.149 13.158 1.00 15.46 C ATOM 235 OD1 ASN M 23 16.367 48.134 12.920 1.00 17.24 O ATOM 236 ND2 ASN M 23 16.072 45.903 12.913 1.00 16.80 N ATOM 237 N TYR M 24 15.654 47.334 16.991 1.00 10.99 N ATOM 238 CA TYR M 24 16.137 46.439 18.041 1.00 10.46 C ATOM 239 C TYR M 24 15.621 46.744 19.430 1.00 10.53 C ATOM 240 O TYR M 24 15.565 47.905 19.857 1.00 11.79 O ATOM 241 CB TYR M 24 17.701 46.464 18.084 1.00 10.54 C ATOM 242 CG TYR M 24 18.285 45.649 16.945 1.00 10.29 C ATOM 243 CD1 TYR M 24 18.428 44.271 17.090 1.00 10.63 C ATOM 244 CD2 TYR M 24 18.646 46.224 15.734 1.00 10.27 C ATOM 245 CE1 TYR M 24 18.899 43.486 16.049 1.00 10.46 C ATOM 246 CE2 TYR M 24 19.138 45.457 14.697 1.00 11.39 C ATOM 247 CZ TYR M 24 19.254 44.086 14.852 1.00 12.40 C ATOM 248 OH TYR M 24 19.729 43.272 13.830 1.00 12.61 O ATOM 249 N ILE M 25 15.256 45.720 20.159 1.00 8.88 N ATOM 250 CA ILE M 25 14.805 45.824 21.540 1.00 9.70 C ATOM 251 C ILE M 25 15.539 44.742 22.334 1.00 10.22 C ATOM 252 O ILE M 25 15.897 43.695 21.765 1.00 10.88 O ATOM 253 CB ILE M 25 13.294 45.692 21.749 1.00 10.21 C ATOM 254 CG1 ILE M 25 12.795 44.330 21.239 1.00 10.57 C ATOM 255 CG2 ILE M 25 12.574 46.840 21.040 1.00 9.46 C ATOM 256 CD1 ILE M 25 11.299 44.127 21.450 1.00 12.13 C ATOM 257 N THR M 26 15.764 45.029 23.603 1.00 9.99 N ATOM 258 CA THR M 26 16.448 44.071 24.464 1.00 10.13 C ATOM 259 C THR M 26 15.471 42.953 24.854 1.00 10.36 C ATOM 260 O THR M 26 14.266 43.042 24.597 1.00 9.35 O ATOM 261 CB THR M 26 16.968 44.749 25.733 1.00 11.32 C ATOM 262 OG1 THR M 26 15.823 45.244 26.458 1.00 10.20 O ATOM 263 CG2 THR M 26 17.918 45.897 25.400 1.00 10.49 C ATOM 264 N LYS M 27 16.021 41.915 25.463 1.00 10.35 N ATOM 265 CA LYS M 27 15.206 40.809 25.936 1.00 10.03 C ATOM 266 C LYS M 27 14.219 41.323 26.982 1.00 10.42 C ATOM 267 O LYS M 27 13.041 40.927 26.946 1.00 12.02 O ATOM 268 CB LYS M 27 16.050 39.683 26.529 1.00 11.08 C ATOM 269 CG LYS M 27 16.499 38.702 25.458 1.00 12.87 C ATOM 270 CD LYS M 27 17.137 37.479 26.097 1.00 14.17 C ATOM 271 CE LYS M 27 17.572 36.513 24.999 1.00 15.09 C ATOM 272 NZ LYS M 27 17.963 35.199 25.598 1.00 16.09 N ATOM 273 N SER M 28 14.641 42.174 27.882 1.00 10.16 N ATOM 274 CA SER M 28 13.722 42.675 28.910 1.00 11.33 C ATOM 275 C SER M 28 12.557 43.456 28.312 1.00 11.36 C ATOM 276 O SER M 28 11.402 43.339 28.748 1.00 12.59 O ATOM 277 CB ASER M 28 14.493 43.513 29.941 0.50 9.78 C ATOM 278 CB BSER M 28 14.470 43.538 29.940 0.50 9.77 C ATOM 279 OG ASER M 28 15.167 44.590 29.342 0.50 14.42 O ATOM 280 OG BSER M 28 13.598 43.980 30.976 0.50 14.42 O ATOM 281 N GLU M 29 12.889 44.263 27.321 1.00 10.85 N ATOM 282 CA GLU M 29 11.908 45.070 26.619 1.00 10.50 C ATOM 283 C GLU M 29 10.940 44.144 25.898 1.00 10.33 C ATOM 284 O GLU M 29 9.750 44.430 25.887 1.00 9.58 O ATOM 285 CB GLU M 29 12.568 46.024 25.618 1.00 10.78 C ATOM 286 CG GLU M 29 13.310 47.148 26.345 1.00 11.28 C ATOM 287 CD GLU M 29 14.105 48.020 25.399 1.00 13.90 C ATOM 288 OE1 GLU M 29 14.441 47.550 24.290 1.00 12.94 O ATOM 289 OE2 GLU M 29 14.381 49.182 25.798 1.00 15.03 O ATOM 290 N ALA M 30 11.495 43.084 25.293 1.00 10.95 N ATOM 291 CA ALA M 30 10.648 42.123 24.543 1.00 11.19 C ATOM 292 C ALA M 30 9.698 41.407 25.504 1.00 10.48 C ATOM 293 O ALA M 30 8.508 41.277 25.183 1.00 10.89 O ATOM 294 CB ALA M 30 11.469 41.096 23.759 1.00 12.15 C ATOM 295 N GLN M 31 10.250 40.980 26.630 1.00 11.22 N ATOM 296 CA GLN M 31 9.438 40.278 27.620 1.00 12.74 C ATOM 297 C GLN M 31 8.317 41.189 28.095 1.00 13.09 C ATOM 298 O GLN M 31 7.201 40.716 28.350 1.00 12.94 O ATOM 299 CB GLN M 31 10.336 39.789 28.757 1.00 16.13 C ATOM 300 CG GLN M 31 11.247 38.648 28.318 1.00 20.90 C ATOM 301 CD GLN M 31 12.234 38.176 29.360 1.00 24.31 C ATOM 302 OE1 GLN M 31 12.691 38.913 30.233 1.00 26.27 O ATOM 303 NE2 GLN M 31 12.619 36.901 29.295 1.00 26.39 N ATOM 304 N ALA M 32 8.598 42.481 28.177 1.00 13.31 N ATOM 305 CA ALA M 32 7.586 43.456 28.630 1.00 14.00 C ATOM 306 C ALA M 32 6.444 43.573 27.625 1.00 14.58 C ATOM 307 O ALA M 32 5.293 43.875 27.998 1.00 16.11 O ATOM 308 CB ALA M 32 8.221 44.819 28.928 1.00 13.59 C ATOM 309 N LEU M 33 6.757 43.336 26.354 1.00 12.85 N ATOM 310 CA LEU M 33 5.757 43.416 25.306 1.00 13.19 C ATOM 311 C LEU M 33 4.938 42.125 25.207 1.00 13.15 C ATOM 312 O LEU M 33 3.979 42.118 24.438 1.00 13.70 O ATOM 313 CB LEU M 33 6.426 43.718 23.954 1.00 12.07 C ATOM 314 CG LEU M 33 7.098 45.086 23.836 1.00 13.38 C ATOM 315 CD1 LEU M 33 7.654 45.279 22.432 1.00 13.42 C ATOM 316 CD2 LEU M 33 6.113 46.193 24.190 1.00 14.65 C ATOM 317 N GLY M 34 5.316 41.099 25.947 1.00 13.51 N ATOM 318 CA GLY M 34 4.593 39.844 25.904 1.00 14.61 C ATOM 319 C GLY M 34 5.334 38.697 25.243 1.00 15.73 C ATOM 320 O GLY M 34 4.727 37.627 25.079 1.00 16.03 O ATOM 321 N TRP M 35 6.585 38.906 24.871 1.00 14.97 N ATOM 322 CA TRP M 35 7.426 37.893 24.255 1.00 14.30 C ATOM 323 C TRP M 35 7.712 36.760 25.243 1.00 14.38 C ATOM 324 O TRP M 35 8.184 36.988 26.354 1.00 14.63 O ATOM 325 CB TRP M 35 8.783 38.432 23.755 1.00 12.60 C ATOM 326 CG TRP M 35 9.667 37.313 23.254 1.00 11.72 C ATOM 327 CD1 TRP M 35 9.372 36.423 22.252 1.00 11.82 C ATOM 328 CD2 TRP M 35 10.965 36.967 23.727 1.00 11.85 C ATOM 329 NE1 TRP M 35 10.414 35.534 22.101 1.00 12.77 N ATOM 330 CE2 TRP M 35 11.404 35.856 22.987 1.00 12.74 C ATOM 331 CE3 TRP M 35 11.803 37.500 24.720 1.00 11.91 C ATOM 332 CZ2 TRP M 35 12.643 35.265 23.215 1.00 12.63 C ATOM 333 CZ3 TRP M 35 13.033 36.907 24.940 1.00 14.58 C ATOM 334 CH2 TRP M 35 13.448 35.798 24.192 1.00 13.23 C ATOM 335 N VAL M 36 7.408 35.542 24.804 1.00 14.96 N ATOM 336 CA VAL M 36 7.655 34.322 25.582 1.00 15.74 C ATOM 337 C VAL M 36 8.447 33.402 24.628 1.00 14.51 C ATOM 338 O VAL M 36 7.889 32.988 23.613 1.00 13.49 O ATOM 339 CB VAL M 36 6.376 33.668 26.094 1.00 18.90 C ATOM 340 CG1 VAL M 36 6.748 32.462 26.957 1.00 20.89 C ATOM 341 CG2 VAL M 36 5.498 34.645 26.868 1.00 20.16 C ATOM 342 N ALA M 37 9.707 33.165 24.950 1.00 14.56 N ATOM 343 CA ALA M 37 10.605 32.353 24.138 1.00 15.24 C ATOM 344 C ALA M 37 10.008 31.036 23.642 1.00 16.13 C ATOM 345 O ALA M 37 10.061 30.778 22.427 1.00 15.54 O ATOM 346 CB ALA M 37 11.902 32.051 24.886 1.00 14.94 C ATOM 347 N SER M 38 9.471 30.244 24.561 1.00 16.99 N ATOM 348 CA SER M 38 8.905 28.948 24.140 1.00 17.94 C ATOM 349 C SER M 38 7.703 29.068 23.210 1.00 18.58 C ATOM 350 O SER M 38 7.303 28.066 22.583 1.00 18.85 O ATOM 351 CB SER M 38 8.541 28.121 25.374 1.00 19.60 C ATOM 352 OG SER M 38 7.624 28.828 26.189 1.00 19.59 O ATOM 353 N LYS M 39 7.157 30.277 23.120 1.00 17.53 N ATOM 354 CA LYS M 39 6.004 30.498 22.245 1.00 16.94 C ATOM 355 C LYS M 39 6.366 30.991 20.851 1.00 15.32 C ATOM 356 O LYS M 39 5.505 31.003 19.956 1.00 16.05 O ATOM 357 CB LYS M 39 5.059 31.487 22.947 1.00 17.98 C ATOM 358 CG LYS M 39 3.869 30.844 23.644 1.00 20.62 C ATOM 359 CD LYS M 39 2.606 31.703 23.451 1.00 21.08 C ATOM 360 CE LYS M 39 1.852 31.815 24.774 1.00 21.15 C ATOM 361 NZ LYS M 39 0.652 32.705 24.624 1.00 21.11 N ATOM 362 N GLY M 40 7.599 31.409 20.643 1.00 14.40 N ATOM 363 CA GLY M 40 8.069 31.921 19.358 1.00 13.28 C ATOM 364 C GLY M 40 7.152 33.002 18.810 1.00 13.50 C ATOM 365 O GLY M 40 6.951 33.065 17.592 1.00 13.47 O ATOM 366 N ASN M 41 6.659 33.860 19.711 1.00 13.58 N ATOM 367 CA ASN M 41 5.731 34.938 19.322 1.00 13.39 C ATOM 368 C ASN M 41 6.278 36.352 19.181 1.00 13.77 C ATOM 369 O ASN M 41 5.466 37.295 19.112 1.00 13.22 O ATOM 370 CB ASN M 41 4.590 34.956 20.370 1.00 12.88 C ATOM 371 CG ASN M 41 5.112 35.377 21.730 1.00 14.43 C ATOM 372 OD1 ASN M 41 6.316 35.400 21.987 1.00 14.82 O ATOM 373 ND2 ASN M 41 4.206 35.732 22.648 1.00 15.75 N ATOM 374 N LEU M 42 7.589 36.533 19.066 1.00 13.20 N ATOM 375 CA LEU M 42 8.140 37.884 18.952 1.00 14.09 C ATOM 376 C LEU M 42 7.523 38.774 17.886 1.00 13.71 C ATOM 377 O LEU M 42 7.230 39.941 18.178 1.00 12.73 O ATOM 378 CB LEU M 42 9.662 37.867 18.731 1.00 14.39 C ATOM 379 CG LEU M 42 10.315 39.260 18.685 1.00 16.74 C ATOM 380 CD1 LEU M 42 10.102 40.015 19.993 1.00 16.96 C ATOM 381 CD2 LEU M 42 11.801 39.128 18.378 1.00 16.63 C ATOM 382 N ALA M 43 7.349 38.235 16.692 1.00 13.88 N ATOM 383 CA ALA M 43 6.794 39.016 15.583 1.00 14.94 C ATOM 384 C ALA M 43 5.308 39.327 15.769 1.00 15.77 C ATOM 385 O ALA M 43 4.753 40.163 15.043 1.00 16.79 O ATOM 386 CB ALA M 43 7.004 38.271 14.264 1.00 14.06 C ATOM 387 N ASP M 44 4.698 38.641 16.714 1.00 16.79 N ATOM 388 CA ASP M 44 3.273 38.841 16.977 1.00 17.61 C ATOM 389 C ASP M 44 3.106 39.896 18.067 1.00 16.55 C ATOM 390 O ASP M 44 2.151 40.669 18.060 1.00 16.77 O ATOM 391 CB ASP M 44 2.610 37.520 17.377 1.00 21.00 C ATOM 392 CG ASP M 44 2.583 37.300 18.878 1.00 26.17 C ATOM 393 N VAL M 45 4.033 39.926 19.014 1.00 15.65 N ATOM 394 CA VAL M 45 3.946 40.914 20.094 1.00 15.67 C ATOM 395 C VAL M 45 4.702 42.220 19.800 1.00 15.65 C ATOM 396 O VAL M 45 4.436 43.275 20.407 1.00 15.49 O ATOM 397 CB VAL M 45 4.438 40.343 21.439 1.00 15.68 C ATOM 398 CG1 VAL M 45 3.586 39.163 21.889 1.00 15.12 C ATOM 399 CG2 VAL M 45 5.915 39.990 21.326 1.00 15.64 C ATOM 400 N ALA M 46 5.639 42.166 18.865 1.00 14.33 N ATOM 401 CA ALA M 46 6.487 43.308 18.466 1.00 14.60 C ATOM 402 C ALA M 46 6.857 43.252 16.996 1.00 15.86 C ATOM 403 O ALA M 46 8.000 42.928 16.621 1.00 14.49 O ATOM 404 CB ALA M 46 7.734 43.281 19.343 1.00 12.74 C ATOM 405 N PRO M 47 5.894 43.571 16.135 1.00 16.90 N ATOM 406 CA PRO M 47 6.091 43.523 14.694 1.00 17.18 C ATOM 407 C PRO M 47 7.303 44.337 14.271 1.00 17.11 C ATOM 408 O PRO M 47 7.501 45.433 14.797 1.00 17.38 O ATOM 409 CB PRO M 47 4.759 43.994 14.105 1.00 18.05 C ATOM 410 CG PRO M 47 3.757 43.788 15.211 1.00 18.23 C ATOM 411 CD PRO M 47 4.530 44.009 16.507 1.00 17.97 C ATOM 412 N GLY M 48 8.072 43.759 13.362 1.00 16.23 N ATOM 413 CA GLY M 48 9.269 44.359 12.800 1.00 15.95 C ATOM 414 C GLY M 48 10.429 44.533 13.760 1.00 15.06 C ATOM 415 O GLY M 48 11.425 45.133 13.336 1.00 15.73 O ATOM 416 N LYS M 49 10.324 44.043 14.980 1.00 14.52 N ATOM 417 CA LYS M 49 11.425 44.180 15.925 1.00 14.08 C ATOM 418 C LYS M 49 12.261 42.908 16.022 1.00 13.26 C ATOM 419 O LYS M 49 11.782 41.810 15.772 1.00 12.56 O ATOM 420 CB LYS M 49 10.862 44.529 17.303 1.00 17.02 C ATOM 421 CG LYS M 49 9.882 45.713 17.253 1.00 20.19 C ATOM 422 CD LYS M 49 10.004 46.598 18.475 1.00 24.41 C ATOM 423 CE LYS M 49 9.149 46.068 19.617 1.00 27.20 C ATOM 424 N SER M 50 13.522 43.101 16.384 1.00 12.13 N ATOM 425 CA SER M 50 14.497 42.033 16.577 1.00 11.83 C ATOM 426 C SER M 50 15.125 42.231 17.956 1.00 11.16 C ATOM 427 O SER M 50 15.263 43.389 18.370 1.00 11.28 O ATOM 428 CB SER M 50 15.616 42.053 15.536 1.00 11.56 C ATOM 429 OG SER M 50 15.127 41.715 14.254 1.00 11.22 O ATOM 430 N ILE M 51 15.479 41.141 18.598 1.00 10.05 N ATOM 431 CA ILE M 51 16.104 41.176 19.926 1.00 10.84 C ATOM 432 C ILE M 51 17.580 41.521 19.736 1.00 10.09 C ATOM 433 O ILE M 51 18.228 40.944 18.859 1.00 9.71 O ATOM 434 CB ILE M 51 16.051 39.822 20.660 1.00 12.95 C ATOM 435 CG1 ILE M 51 14.611 39.305 20.828 1.00 14.48 C ATOM 436 CG2 ILE M 51 16.741 39.902 22.024 1.00 11.30 C ATOM 437 CD1 ILE M 51 13.717 40.333 21.492 1.00 15.88 C ATOM 438 N GLY M 52 18.076 42.437 20.550 1.00 8.98 N ATOM 439 CA GLY M 52 19.496 42.807 20.434 1.00 8.90 C ATOM 440 C GLY M 52 19.869 43.796 21.537 1.00 9.17 C ATOM 441 O GLY M 52 18.997 44.462 22.089 1.00 9.70 O ATOM 442 N GLY M 53 21.164 43.850 21.805 1.00 8.59 N ATOM 443 CA GLY M 53 21.697 44.781 22.785 1.00 9.88 C ATOM 444 C GLY M 53 21.970 44.205 24.139 1.00 10.25 C ATOM 445 O GLY M 53 22.352 44.986 25.016 1.00 11.40 O ATOM 446 N ASP M 54 21.788 42.901 24.323 1.00 10.00 N ATOM 447 CA ASP M 54 22.066 42.301 25.639 1.00 9.92 C ATOM 448 C ASP M 54 23.535 41.913 25.732 1.00 10.33 C ATOM 449 O ASP M 54 24.198 41.800 24.693 1.00 9.58 O ATOM 450 CB ASP M 54 21.169 41.094 25.894 1.00 12.54 C ATOM 451 CG ASP M 54 19.722 41.503 26.136 1.00 13.24 C ATOM 452 OD1 ASP M 54 19.496 42.244 27.109 1.00 16.02 O ATOM 453 OD2 ASP M 54 18.833 41.103 25.364 1.00 13.32 O ATOM 454 N ILE M 55 23.995 41.721 26.956 1.00 10.77 N ATOM 455 CA ILE M 55 25.390 41.369 27.221 1.00 11.58 C ATOM 456 C ILE M 55 25.760 39.954 26.797 1.00 11.74 C ATOM 457 O ILE M 55 24.983 39.018 26.997 1.00 11.70 O ATOM 458 CB ILE M 55 25.695 41.517 28.716 1.00 12.59 C ATOM 459 CG1 ILE M 55 25.692 43.008 29.065 1.00 16.17 C ATOM 460 CG2 ILE M 55 27.029 40.876 29.064 1.00 14.28 C ATOM 461 CD1 ILE M 55 26.890 43.745 28.469 1.00 19.20 C ATOM 462 N PHE M 56 26.947 39.862 26.201 1.00 11.08 N ATOM 463 CA PHE M 56 27.481 38.544 25.780 1.00 10.50 C ATOM 464 C PHE M 56 28.671 38.339 26.729 1.00 11.60 C ATOM 465 O PHE M 56 29.624 39.119 26.669 1.00 11.47 O ATOM 466 CB PHE M 56 27.882 38.489 24.323 1.00 11.31 C ATOM 467 CG PHE M 56 28.446 37.151 23.908 1.00 12.18 C ATOM 468 CD1 PHE M 56 27.588 36.083 23.708 1.00 11.88 C ATOM 469 CD2 PHE M 56 29.814 36.967 23.754 1.00 12.89 C ATOM 470 CE1 PHE M 56 28.091 34.840 23.337 1.00 12.38 C ATOM 471 CE2 PHE M 56 30.305 35.728 23.387 1.00 13.49 C ATOM 472 CZ PHE M 56 29.453 34.659 23.170 1.00 13.10 C ATOM 473 N SER M 57 28.621 37.349 27.599 1.00 11.86 N ATOM 474 CA SER M 57 29.682 37.119 28.582 1.00 13.33 C ATOM 475 C SER M 57 31.009 36.623 28.049 1.00 13.42 C ATOM 476 O SER M 57 32.034 36.727 28.749 1.00 14.30 O ATOM 477 CB SER M 57 29.143 36.214 29.709 1.00 13.71 C ATOM 478 OG SER M 57 28.135 36.863 30.468 1.00 15.38 O ATOM 479 N ASN M 58 31.057 36.081 26.856 1.00 13.93 N ATOM 480 CA ASN M 58 32.302 35.565 26.268 1.00 15.05 C ATOM 481 C ASN M 58 32.982 34.571 27.194 1.00 15.86 C ATOM 482 O ASN M 58 34.207 34.550 27.277 1.00 16.13 O ATOM 483 CB ASN M 58 33.222 36.744 25.951 1.00 16.19 C ATOM 484 CG ASN M 58 34.392 36.376 25.060 1.00 16.58 C ATOM 485 OD1 ASN M 58 34.251 35.502 24.194 1.00 14.67 O ATOM 486 ND2 ASN M 58 35.519 37.063 25.303 1.00 16.19 N ATOM 487 N ARG M 59 32.210 33.722 27.860 1.00 16.87 N ATOM 488 CA ARG M 59 32.732 32.720 28.791 1.00 17.79 C ATOM 489 C ARG M 59 33.726 31.748 28.161 1.00 18.30 C ATOM 490 O ARG M 59 34.629 31.294 28.878 1.00 18.49 O ATOM 491 CB ARG M 59 31.604 31.893 29.413 1.00 19.15 C ATOM 492 CG ARG M 59 30.779 32.640 30.453 1.00 20.49 C ATOM 493 CD ARG M 59 29.669 31.751 30.987 1.00 20.18 C ATOM 494 NE ARG M 59 28.762 31.327 29.932 1.00 21.28 N ATOM 495 CZ ARG M 59 27.599 31.895 29.653 1.00 19.49 C ATOM 496 NH1 ARG M 59 27.157 32.929 30.353 1.00 20.90 N ATOM 497 NH2 ARG M 59 26.885 31.408 28.651 1.00 17.99 N ATOM 498 N GLU M 60 33.548 31.449 26.885 1.00 18.13 N ATOM 499 CA GLU M 60 34.420 30.531 26.163 1.00 19.24 C ATOM 500 C GLU M 60 35.731 31.169 25.707 1.00 19.65 C ATOM 501 O GLU M 60 36.615 30.403 25.269 1.00 20.19 O ATOM 502 CB GLU M 60 33.707 29.914 24.950 1.00 18.95 C ATOM 503 CG GLU M 60 32.496 29.064 25.275 1.00 20.59 C ATOM 504 CD GLU M 60 31.230 29.845 25.544 1.00 23.26 C ATOM 505 OE1 GLU M 60 31.293 31.051 25.882 1.00 23.59 O ATOM 506 OE2 GLU M 60 30.124 29.278 25.429 1.00 26.70 O ATOM 507 N GLY M 61 35.821 32.485 25.789 1.00 18.61 N ATOM 508 CA GLY M 61 37.023 33.200 25.388 1.00 18.70 C ATOM 509 C GLY M 61 37.332 33.146 23.909 1.00 18.64 C ATOM 510 O GLY M 61 38.489 33.340 23.515 1.00 18.96 O ATOM 511 N LYS M 62 36.315 32.913 23.099 1.00 18.31 N ATOM 512 CA LYS M 62 36.463 32.834 21.651 1.00 17.80 C ATOM 513 C LYS M 62 36.674 34.209 21.018 1.00 18.03 C ATOM 514 O LYS M 62 37.298 34.299 19.951 1.00 18.93 O ATOM 515 CB LYS M 62 35.260 32.118 21.064 1.00 18.47 C ATOM 516 N LEU M 63 36.157 35.244 21.660 1.00 16.64 N ATOM 517 CA LEU M 63 36.322 36.609 21.144 1.00 15.64 C ATOM 518 C LEU M 63 37.467 37.220 21.914 1.00 15.06 C ATOM 519 O LEU M 63 37.644 36.821 23.076 1.00 15.20 O ATOM 520 CB LEU M 63 35.034 37.403 21.359 1.00 15.30 C ATOM 521 CG LEU M 63 33.791 36.854 20.630 1.00 13.84 C ATOM 522 CD1 LEU M 63 32.521 37.504 21.167 1.00 13.91 C ATOM 523 CD2 LEU M 63 33.947 37.077 19.136 1.00 14.60 C ATOM 524 N PRO M 64 38.197 38.144 21.320 1.00 15.75 N ATOM 525 CA PRO M 64 39.310 38.793 22.050 1.00 16.96 C ATOM 526 C PRO M 64 38.798 39.445 23.335 1.00 18.34 C ATOM 527 O PRO M 64 37.942 40.343 23.329 1.00 19.26 O ATOM 528 CB PRO M 64 39.867 39.798 21.064 1.00 16.54 C ATOM 529 CG PRO M 64 39.413 39.308 19.711 1.00 17.40 C ATOM 530 CD PRO M 64 38.040 38.668 19.964 1.00 15.52 C ATOM 531 N GLY M 65 39.316 38.971 24.458 1.00 19.48 N ATOM 532 CA GLY M 65 38.894 39.502 25.748 1.00 21.81 C ATOM 533 C GLY M 65 39.950 40.411 26.371 1.00 23.73 C ATOM 534 O GLY M 65 41.165 40.210 26.247 1.00 24.52 O ATOM 535 N LYS M 66 39.433 41.424 27.051 1.00 24.00 N ATOM 536 CA LYS M 66 40.314 42.357 27.736 1.00 24.28 C ATOM 537 C LYS M 66 39.544 43.037 28.863 1.00 24.02 C ATOM 538 O LYS M 66 38.343 43.299 28.751 1.00 23.41 O ATOM 539 CB LYS M 66 40.859 43.422 26.787 1.00 24.85 C ATOM 540 CG LYS M 66 39.795 44.500 26.561 1.00 22.05 C ATOM 541 CD LYS M 66 40.422 45.702 25.878 1.00 21.81 C ATOM 542 CE LYS M 66 41.940 45.665 26.041 1.00 21.59 C ATOM 543 NZ LYS M 66 42.590 46.373 24.898 1.00 22.25 N ATOM 544 N SER M 67 40.317 43.289 29.912 1.00 22.91 N ATOM 545 CA SER M 67 39.730 43.971 31.065 1.00 22.78 C ATOM 546 C SER M 67 39.093 45.271 30.584 1.00 21.67 C ATOM 547 O SER M 67 39.757 46.048 29.878 1.00 21.33 O ATOM 548 CB SER M 67 40.841 44.259 32.080 1.00 23.25 C ATOM 549 OG SER M 67 40.290 44.731 33.298 1.00 26.03 O ATOM 550 N GLY M 68 37.845 45.496 30.952 1.00 20.87 N ATOM 551 CA GLY M 68 37.147 46.718 30.567 1.00 21.00 C ATOM 552 C GLY M 68 36.294 46.601 29.304 1.00 21.16 C ATOM 553 O GLY M 68 35.366 47.408 29.113 1.00 22.22 O ATOM 554 N ARG M 69 36.632 45.629 28.454 1.00 20.04 N ATOM 555 CA ARG M 69 35.848 45.482 27.230 1.00 18.26 C ATOM 556 C ARG M 69 34.608 44.647 27.528 1.00 17.61 C ATOM 557 O ARG M 69 34.708 43.602 28.190 1.00 18.04 O ATOM 558 CB ARG M 69 36.713 44.857 26.147 1.00 17.91 C ATOM 559 CG ARG M 69 35.977 44.466 24.872 1.00 16.24 C ATOM 560 CD ARG M 69 36.876 43.732 23.884 1.00 15.07 C ATOM 561 NE ARG M 69 37.941 44.603 23.384 1.00 14.34 N ATOM 562 CZ ARG M 69 39.152 44.207 23.022 1.00 15.77 C ATOM 563 NH1 ARG M 69 39.493 42.915 23.101 1.00 14.51 N ATOM 564 NH2 ARG M 69 40.018 45.105 22.565 1.00 13.99 N ATOM 565 N THR M 70 33.479 45.137 27.054 1.00 16.07 N ATOM 566 CA THR M 70 32.211 44.428 27.234 1.00 15.82 C ATOM 567 C THR M 70 31.711 44.084 25.834 1.00 14.14 C ATOM 568 O THR M 70 31.950 44.846 24.892 1.00 13.97 O ATOM 569 CB THR M 70 31.166 45.229 27.997 1.00 18.20 C ATOM 570 OG1 THR M 70 31.305 46.585 27.578 1.00 23.67 O ATOM 571 CG2 THR M 70 31.425 45.129 29.495 1.00 20.21 C ATOM 572 N TRP M 71 31.076 42.920 25.739 1.00 11.95 N ATOM 573 CA TRP M 71 30.543 42.472 24.471 1.00 9.70 C ATOM 574 C TRP M 71 29.021 42.429 24.520 1.00 8.47 C ATOM 575 O TRP M 71 28.496 42.027 25.561 1.00 9.71 O ATOM 576 CB TRP M 71 31.039 41.044 24.143 1.00 9.13 C ATOM 577 CG TRP M 71 32.482 41.002 23.718 1.00 8.19 C ATOM 578 CD1 TRP M 71 33.561 40.734 24.516 1.00 8.86 C ATOM 579 CD2 TRP M 71 32.982 41.209 22.389 1.00 8.07 C ATOM 580 NE1 TRP M 71 34.697 40.772 23.752 1.00 8.34 N ATOM 581 CE2 TRP M 71 34.383 41.044 22.452 1.00 7.72 C ATOM 582 CE3 TRP M 71 32.394 41.496 21.157 1.00 8.61 C ATOM 583 CZ2 TRP M 71 35.200 41.208 21.337 1.00 8.17 C ATOM 584 CZ3 TRP M 71 33.194 41.636 20.038 1.00 10.59 C ATOM 585 CH2 TRP M 71 34.596 41.502 20.141 1.00 9.51 C ATOM 586 N ARG M 72 28.393 42.799 23.435 1.00 8.48 N ATOM 587 CA ARG M 72 26.940 42.755 23.324 1.00 8.22 C ATOM 588 C ARG M 72 26.596 41.990 22.062 1.00 7.95 C ATOM 589 O ARG M 72 27.471 41.929 21.187 1.00 9.45 O ATOM 590 CB ARG M 72 26.343 44.167 23.279 1.00 9.21 C ATOM 591 CG ARG M 72 26.524 44.899 24.597 1.00 18.34 C ATOM 592 CD ARG M 72 25.862 46.272 24.610 1.00 19.82 C ATOM 593 NE ARG M 72 25.976 46.913 25.925 1.00 20.65 N ATOM 594 N GLU M 73 25.402 41.431 21.999 1.00 7.31 N ATOM 595 CA GLU M 73 25.013 40.697 20.792 1.00 7.70 C ATOM 596 C GLU M 73 23.627 41.121 20.343 1.00 8.19 C ATOM 597 O GLU M 73 22.837 41.639 21.143 1.00 9.15 O ATOM 598 CB GLU M 73 25.085 39.184 21.016 1.00 9.44 C ATOM 599 CG GLU M 73 24.415 38.702 22.293 1.00 11.76 C ATOM 600 CD GLU M 73 22.909 38.623 22.250 1.00 14.56 C ATOM 601 OE1 GLU M 73 22.291 38.511 21.158 1.00 14.38 O ATOM 602 OE2 GLU M 73 22.271 38.645 23.332 1.00 16.73 O ATOM 603 N ALA M 74 23.355 40.889 19.077 1.00 8.55 N ATOM 604 CA ALA M 74 22.061 41.220 18.479 1.00 9.44 C ATOM 605 C ALA M 74 21.717 40.203 17.394 1.00 9.24 C ATOM 606 O ALA M 74 22.578 39.660 16.692 1.00 9.40 O ATOM 607 CB ALA M 74 22.096 42.639 17.920 1.00 9.88 C ATOM 608 N ASP M 75 20.432 39.968 17.275 1.00 9.09 N ATOM 609 CA ASP M 75 19.934 39.022 16.253 1.00 9.28 C ATOM 610 C ASP M 75 20.072 39.615 14.855 1.00 9.97 C ATOM 611 O ASP M 75 19.826 40.807 14.625 1.00 9.37 O ATOM 612 CB ASP M 75 18.467 38.701 16.506 1.00 7.45 C ATOM 613 CG ASP M 75 18.224 37.770 17.669 1.00 7.33 C ATOM 614 OD1 ASP M 75 19.073 37.623 18.572 1.00 7.70 O ATOM 615 OD2 ASP M 75 17.118 37.156 17.656 1.00 10.70 O ATOM 616 N ILE M 76 20.445 38.747 13.934 1.00 9.62 N ATOM 617 CA ILE M 76 20.601 39.080 12.513 1.00 10.10 C ATOM 618 C ILE M 76 19.680 38.156 11.694 1.00 10.19 C ATOM 619 O ILE M 76 19.439 37.023 12.108 1.00 9.23 O ATOM 620 CB ILE M 76 22.066 38.960 12.077 1.00 10.98 C ATOM 621 CG1 ILE M 76 22.885 40.028 12.828 1.00 11.83 C ATOM 622 CG2 ILE M 76 22.221 39.039 10.562 1.00 10.47 C ATOM 623 CD1 ILE M 76 22.521 41.458 12.481 1.00 12.42 C ATOM 624 N ASN M 77 19.157 38.679 10.611 1.00 10.52 N ATOM 625 CA ASN M 77 18.261 37.993 9.689 1.00 11.83 C ATOM 626 C ASN M 77 16.952 37.520 10.307 1.00 11.99 C ATOM 627 O ASN M 77 16.328 36.590 9.751 1.00 13.05 O ATOM 628 CB ASN M 77 18.977 36.779 9.055 1.00 11.44 C ATOM 629 CG ASN M 77 20.190 37.158 8.246 1.00 10.68 C ATOM 630 OD1 ASN M 77 20.219 38.164 7.536 1.00 13.52 O ATOM 631 ND2 ASN M 77 21.239 36.338 8.303 1.00 13.98 N ATOM 632 N TYR M 78 16.510 38.103 11.408 1.00 12.08 N ATOM 633 CA TYR M 78 15.260 37.680 12.035 1.00 12.61 C ATOM 634 C TYR M 78 14.046 38.342 11.391 1.00 13.60 C ATOM 635 O TYR M 78 14.093 39.553 11.176 1.00 13.52 O ATOM 636 CB TYR M 78 15.210 37.950 13.553 1.00 11.47 C ATOM 637 CG TYR M 78 13.886 37.538 14.153 1.00 11.53 C ATOM 638 CD1 TYR M 78 13.668 36.202 14.495 1.00 11.92 C ATOM 639 CD2 TYR M 78 12.848 38.451 14.347 1.00 10.29 C ATOM 640 CE1 TYR M 78 12.467 35.794 15.024 1.00 11.91 C ATOM 641 CE2 TYR M 78 11.637 38.032 14.873 1.00 11.08 C ATOM 642 CZ TYR M 78 11.450 36.709 15.208 1.00 11.58 C ATOM 643 OH TYR M 78 10.237 36.272 15.711 1.00 10.68 O ATOM 644 N THR M 79 13.021 37.539 11.130 1.00 14.90 N ATOM 645 CA THR M 79 11.795 38.111 10.545 1.00 16.12 C ATOM 646 C THR M 79 10.607 37.706 11.405 1.00 15.79 C ATOM 647 O THR M 79 9.855 38.595 11.836 1.00 14.91 O ATOM 648 CB THR M 79 11.591 37.749 9.068 1.00 19.46 C ATOM 649 OG1 THR M 79 11.650 36.325 8.921 1.00 22.39 O ATOM 650 CG2 THR M 79 12.678 38.381 8.211 1.00 20.03 C ATOM 651 N SER M 80 10.481 36.405 11.659 1.00 15.19 N ATOM 652 CA SER M 80 9.377 35.906 12.477 1.00 15.49 C ATOM 653 C SER M 80 9.607 34.501 12.990 1.00 14.66 C ATOM 654 O SER M 80 10.558 33.869 12.529 1.00 16.36 O ATOM 655 CB SER M 80 8.060 35.985 11.698 1.00 17.28 C ATOM 656 OG SER M 80 8.018 35.084 10.608 1.00 19.89 O ATOM 657 N GLY M 81 8.775 34.076 13.929 1.00 14.00 N ATOM 658 CA GLY M 81 8.904 32.720 14.484 1.00 13.32 C ATOM 659 C GLY M 81 9.971 32.637 15.559 1.00 13.31 C ATOM 660 O GLY M 81 10.304 33.644 16.215 1.00 12.29 O ATOM 661 N PHE M 82 10.482 31.432 15.756 1.00 11.16 N ATOM 662 CA PHE M 82 11.518 31.164 16.767 1.00 10.72 C ATOM 663 C PHE M 82 12.825 31.770 16.319 1.00 9.46 C ATOM 664 O PHE M 82 13.062 31.932 15.123 1.00 10.74 O ATOM 665 CB PHE M 82 11.613 29.649 17.007 1.00 11.07 C ATOM 666 CG PHE M 82 10.448 29.160 17.829 1.00 10.89 C ATOM 667 CD1 PHE M 82 10.503 29.143 19.208 1.00 11.43 C ATOM 668 CD2 PHE M 82 9.299 28.725 17.187 1.00 10.22 C ATOM 669 CE1 PHE M 82 9.433 28.681 19.943 1.00 11.96 C ATOM 670 CE2 PHE M 82 8.224 28.273 17.939 1.00 9.53 C ATOM 671 CZ PHE M 82 8.277 28.246 19.318 1.00 9.91 C ATOM 672 N ARG M 83 13.692 32.108 17.253 1.00 9.99 N ATOM 673 CA ARG M 83 14.972 32.749 16.870 1.00 10.00 C ATOM 674 C ARG M 83 15.970 31.846 16.179 1.00 10.35 C ATOM 675 O ARG M 83 16.027 30.648 16.474 1.00 11.00 O ATOM 676 CB ARG M 83 15.532 33.443 18.126 1.00 8.44 C ATOM 677 CG ARG M 83 14.565 34.591 18.499 1.00 8.04 C ATOM 678 CD ARG M 83 14.892 35.148 19.875 1.00 8.37 C ATOM 679 NE ARG M 83 16.223 35.751 19.939 1.00 8.48 N ATOM 680 CZ ARG M 83 17.071 35.522 20.927 1.00 8.91 C ATOM 681 NH1 ARG M 83 16.776 34.715 21.932 1.00 8.00 N ATOM 682 NH2 ARG M 83 18.255 36.126 20.904 1.00 10.83 N ATOM 683 N ASN M 84 16.750 32.415 15.268 1.00 9.95 N ATOM 684 CA ASN M 84 17.770 31.682 14.492 1.00 9.18 C ATOM 685 C ASN M 84 19.131 31.623 15.199 1.00 9.13 C ATOM 686 O ASN M 84 19.264 31.854 16.396 1.00 8.80 O ATOM 687 CB ASN M 84 17.878 32.273 13.097 1.00 7.69 C ATOM 688 CG ASN M 84 18.352 33.724 13.100 1.00 8.11 C ATOM 689 OD1 ASN M 84 19.115 34.162 13.964 1.00 8.03 O ATOM 690 ND2 ASN M 84 17.892 34.466 12.106 1.00 8.44 N ATOM 691 N SER M 85 20.162 31.273 14.437 1.00 8.69 N ATOM 692 CA SER M 85 21.513 31.144 14.972 1.00 8.31 C ATOM 693 C SER M 85 22.472 32.289 14.626 1.00 8.51 C ATOM 694 O SER M 85 23.650 32.213 14.952 1.00 8.77 O ATOM 695 CB ASER M 85 22.115 29.828 14.412 0.50 6.70 C ATOM 696 CB BSER M 85 22.153 29.781 14.340 0.50 6.62 C ATOM 697 CB CSER M 85 22.139 29.831 14.426 0.50 6.64 C ATOM 698 OG ASER M 85 21.246 28.723 14.590 0.50 2.69 O ATOM 699 OG BSER M 85 23.495 29.615 14.999 0.50 3.75 O ATOM 700 OG CSER M 85 22.270 29.922 13.022 0.50 3.57 O ATOM 701 N ASP M 86 21.958 33.287 13.917 1.00 8.93 N ATOM 702 CA ASP M 86 22.730 34.408 13.418 1.00 8.96 C ATOM 703 C ASP M 86 22.790 35.561 14.423 1.00 9.40 C ATOM 704 O ASP M 86 21.736 36.029 14.861 1.00 8.36 O ATOM 705 CB ASP M 86 22.176 34.938 12.106 1.00 10.01 C ATOM 706 CG ASP M 86 22.206 33.930 10.970 1.00 13.77 C ATOM 707 OD1 ASP M 86 22.994 32.956 11.042 1.00 14.60 O ATOM 708 OD2 ASP M 86 21.434 34.105 10.001 1.00 13.10 O ATOM 709 N ARG M 87 24.004 35.968 14.756 1.00 8.65 N ATOM 710 CA ARG M 87 24.174 37.057 15.721 1.00 9.40 C ATOM 711 C ARG M 87 25.377 37.903 15.332 1.00 10.00 C ATOM 712 O ARG M 87 26.368 37.422 14.786 1.00 10.48 O ATOM 713 CB ARG M 87 24.411 36.580 17.148 1.00 9.05 C ATOM 714 CG ARG M 87 23.415 35.599 17.735 1.00 10.36 C ATOM 715 CD ARG M 87 22.122 36.291 18.181 1.00 9.72 C ATOM 716 NE ARG M 87 21.298 35.283 18.857 1.00 8.86 N ATOM 717 CZ ARG M 87 20.427 34.541 18.190 1.00 8.78 C ATOM 718 NH1 ARG M 87 20.247 34.697 16.892 1.00 8.41 N ATOM 719 NH2 ARG M 87 19.724 33.611 18.840 1.00 7.97 N ATOM 720 N ILE M 88 25.232 39.179 15.643 1.00 10.16 N ATOM 721 CA ILE M 88 26.339 40.115 15.405 1.00 9.40 C ATOM 722 C ILE M 88 26.843 40.363 16.829 1.00 9.39 C ATOM 723 O ILE M 88 26.013 40.432 17.759 1.00 9.18 O ATOM 724 CB ILE M 88 25.956 41.399 14.677 1.00 10.45 C ATOM 725 CG1 ILE M 88 27.188 42.245 14.352 1.00 9.74 C ATOM 726 CG2 ILE M 88 24.957 42.240 15.463 1.00 10.15 C ATOM 727 CD1 ILE M 88 26.983 43.104 13.118 1.00 10.76 C ATOM 728 N LEU M 89 28.147 40.424 16.985 1.00 8.36 N ATOM 729 CA LEU M 89 28.782 40.648 18.271 1.00 9.43 C ATOM 730 C LEU M 89 29.556 41.949 18.184 1.00 9.84 C ATOM 731 O LEU M 89 30.296 42.122 17.206 1.00 10.75 O ATOM 732 CB LEU M 89 29.733 39.499 18.582 1.00 11.66 C ATOM 733 CG LEU M 89 29.223 38.186 19.170 1.00 14.03 C ATOM 734 CD1 LEU M 89 28.636 38.387 20.559 1.00 15.09 C ATOM 735 CD2 LEU M 89 28.237 37.526 18.214 1.00 14.66 C ATOM 736 N TYR M 90 29.363 42.819 19.160 1.00 10.04 N ATOM 737 CA TYR M 90 30.092 44.110 19.113 1.00 10.06 C ATOM 738 C TYR M 90 30.572 44.440 20.504 1.00 9.91 C ATOM 739 O TYR M 90 29.848 44.205 21.479 1.00 10.61 O ATOM 740 CB TYR M 90 29.217 45.177 18.488 1.00 10.87 C ATOM 741 CG TYR M 90 27.925 45.497 19.215 1.00 11.23 C ATOM 742 CD1 TYR M 90 26.824 44.670 19.071 1.00 11.97 C ATOM 743 CD2 TYR M 90 27.796 46.627 20.020 1.00 12.22 C ATOM 744 CE1 TYR M 90 25.621 44.922 19.704 1.00 11.73 C ATOM 745 CE2 TYR M 90 26.606 46.900 20.654 1.00 12.08 C ATOM 746 CZ TYR M 90 25.527 46.059 20.483 1.00 12.00 C ATOM 747 OH TYR M 90 24.347 46.311 21.133 1.00 12.40 O ATOM 748 N SER M 91 31.798 44.948 20.564 1.00 10.52 N ATOM 749 CA SER M 91 32.413 45.319 21.820 1.00 10.76 C ATOM 750 C SER M 91 32.287 46.823 22.124 1.00 11.65 C ATOM 751 O SER M 91 31.948 47.650 21.285 1.00 11.72 O ATOM 752 CB SER M 91 33.905 44.949 21.860 1.00 12.53 C ATOM 753 OG SER M 91 34.685 45.650 20.915 1.00 14.34 O ATOM 754 N SER M 92 32.597 47.132 23.374 1.00 12.73 N ATOM 755 CA SER M 92 32.537 48.532 23.803 1.00 14.33 C ATOM 756 C SER M 92 33.547 49.361 23.022 1.00 15.60 C ATOM 757 O SER M 92 33.365 50.591 22.948 1.00 16.21 O ATOM 758 CB SER M 92 32.732 48.538 25.300 1.00 14.29 C ATOM 759 OG SER M 92 33.808 47.711 25.669 1.00 14.45 O ATOM 760 N ASP M 93 34.559 48.700 22.454 1.00 15.71 N ATOM 761 CA ASP M 93 35.577 49.434 21.676 1.00 15.21 C ATOM 762 C ASP M 93 35.433 49.195 20.181 1.00 14.67 C ATOM 763 O ASP M 93 36.364 49.318 19.385 1.00 15.26 O ATOM 764 CB ASP M 93 36.999 49.192 22.152 1.00 15.42 C ATOM 765 CG ASP M 93 37.405 47.741 22.220 1.00 17.70 C ATOM 766 OD1 ASP M 93 36.527 46.853 22.189 1.00 15.34 O ATOM 767 OD2 ASP M 93 38.629 47.492 22.325 1.00 18.61 O ATOM 768 N TRP M 94 34.226 48.839 19.796 1.00 14.21 N ATOM 769 CA TRP M 94 33.767 48.618 18.456 1.00 14.28 C ATOM 770 C TRP M 94 34.426 47.613 17.537 1.00 12.81 C ATOM 771 O TRP M 94 34.568 47.858 16.328 1.00 13.77 O ATOM 772 CB TRP M 94 33.631 50.016 17.741 1.00 17.98 C ATOM 773 CG TRP M 94 32.799 50.876 18.664 1.00 21.70 C ATOM 774 CD1 TRP M 94 33.218 51.926 19.431 1.00 22.20 C ATOM 775 CD2 TRP M 94 31.405 50.697 18.957 1.00 23.75 C ATOM 776 NE1 TRP M 94 32.161 52.412 20.168 1.00 24.43 N ATOM 777 CE2 TRP M 94 31.040 51.671 19.893 1.00 24.30 C ATOM 778 CE3 TRP M 94 30.430 49.806 18.494 1.00 25.47 C ATOM 779 CZ2 TRP M 94 29.744 51.781 20.387 1.00 25.46 C ATOM 780 CZ3 TRP M 94 29.137 49.913 18.981 1.00 26.54 C ATOM 781 CH2 TRP M 94 28.810 50.902 19.924 1.00 26.20 C ATOM 782 N LEU M 95 34.758 46.491 18.125 1.00 12.39 N ATOM 783 CA LEU M 95 35.271 45.340 17.363 1.00 12.21 C ATOM 784 C LEU M 95 33.926 44.694 16.932 1.00 11.51 C ATOM 785 O LEU M 95 33.049 44.660 17.834 1.00 10.96 O ATOM 786 CB LEU M 95 36.062 44.369 18.195 1.00 12.54 C ATOM 787 CG LEU M 95 37.387 44.840 18.809 1.00 14.10 C ATOM 788 CD1 LEU M 95 37.977 43.752 19.711 1.00 13.90 C ATOM 789 CD2 LEU M 95 38.337 45.241 17.696 1.00 15.73 C ATOM 790 N ILE M 96 33.795 44.264 15.692 1.00 10.78 N ATOM 791 CA ILE M 96 32.544 43.661 15.220 1.00 12.06 C ATOM 792 C ILE M 96 32.776 42.274 14.617 1.00 12.42 C ATOM 793 O ILE M 96 33.506 42.108 13.632 1.00 12.62 O ATOM 794 CB ILE M 96 31.849 44.580 14.211 1.00 12.87 C ATOM 795 CG1 ILE M 96 31.561 45.968 14.821 1.00 13.36 C ATOM 796 CG2 ILE M 96 30.533 43.980 13.732 1.00 13.67 C ATOM 797 CD1 ILE M 96 30.939 46.875 13.772 1.00 16.46 C ATOM 798 N TYR M 97 32.133 41.294 15.243 1.00 12.06 N ATOM 799 CA TYR M 97 32.242 39.906 14.800 1.00 12.95 C ATOM 800 C TYR M 97 30.861 39.330 14.500 1.00 13.54 C ATOM 801 O TYR M 97 29.848 39.852 14.975 1.00 13.77 O ATOM 802 CB TYR M 97 32.892 39.020 15.847 1.00 13.37 C ATOM 803 CG TYR M 97 34.377 39.193 16.049 1.00 14.97 C ATOM 804 CD1 TYR M 97 34.914 40.322 16.661 1.00 15.45 C ATOM 805 CD2 TYR M 97 35.241 38.174 15.650 1.00 15.47 C ATOM 806 CE1 TYR M 97 36.283 40.459 16.862 1.00 15.60 C ATOM 807 CE2 TYR M 97 36.605 38.309 15.859 1.00 15.61 C ATOM 808 CZ TYR M 97 37.117 39.439 16.451 1.00 15.69 C ATOM 809 OH TYR M 97 38.473 39.520 16.624 1.00 15.62 O ATOM 810 N LYS M 98 30.865 38.254 13.723 1.00 12.31 N ATOM 811 CA LYS M 98 29.613 37.600 13.377 1.00 12.60 C ATOM 812 C LYS M 98 29.715 36.115 13.706 1.00 11.90 C ATOM 813 O LYS M 98 30.832 35.586 13.770 1.00 11.47 O ATOM 814 CB LYS M 98 29.338 37.766 11.880 1.00 15.44 C ATOM 815 CG LYS M 98 30.388 37.052 11.037 1.00 19.85 C ATOM 816 CD LYS M 98 30.077 37.029 9.548 1.00 25.00 C ATOM 817 CE LYS M 98 28.596 36.893 9.267 1.00 28.41 C ATOM 818 NZ LYS M 98 28.038 35.711 9.986 1.00 32.41 N ATOM 819 N THR M 99 28.558 35.518 13.938 1.00 11.36 N ATOM 820 CA THR M 99 28.456 34.077 14.190 1.00 10.49 C ATOM 821 C THR M 99 27.193 33.611 13.472 1.00 11.48 C ATOM 822 O THR M 99 26.195 34.345 13.447 1.00 11.22 O ATOM 823 CB THR M 99 28.460 33.688 15.661 1.00 11.30 C ATOM 824 OG1 THR M 99 28.267 32.261 15.785 1.00 10.80 O ATOM 825 CG2 THR M 99 27.372 34.398 16.456 1.00 12.05 C ATOM 826 N THR M 100 27.255 32.442 12.839 1.00 10.81 N ATOM 827 CA THR M 100 26.083 31.885 12.145 1.00 10.59 C ATOM 828 C THR M 100 25.728 30.535 12.765 1.00 10.75 C ATOM 829 O THR M 100 24.816 29.842 12.320 1.00 9.92 O ATOM 830 CB THR M 100 26.285 31.785 10.633 1.00 12.84 C ATOM 831 OG1 THR M 100 27.389 30.924 10.319 1.00 12.05 O ATOM 832 CG2 THR M 100 26.578 33.174 10.062 1.00 13.34 C ATOM 833 N ASP M 101 26.438 30.188 13.823 1.00 9.98 N ATOM 834 CA ASP M 101 26.236 28.922 14.528 1.00 10.61 C ATOM 835 C ASP M 101 26.008 29.096 16.024 1.00 9.44 C ATOM 836 O ASP M 101 26.397 28.283 16.866 1.00 9.05 O ATOM 837 CB ASP M 101 27.387 27.951 14.241 1.00 11.94 C ATOM 838 CG ASP M 101 28.754 28.513 14.579 1.00 14.99 C ATOM 839 OD1 ASP M 101 28.881 29.542 15.303 1.00 12.40 O ATOM 840 OD2 ASP M 101 29.723 27.873 14.119 1.00 14.73 O ATOM 841 N HIS M 102 25.327 30.192 16.350 1.00 9.39 N ATOM 842 CA HIS M 102 24.986 30.486 17.729 1.00 9.46 C ATOM 843 C HIS M 102 26.133 30.491 18.714 1.00 9.05 C ATOM 844 O HIS M 102 26.104 29.806 19.740 1.00 8.83 O ATOM 845 CB HIS M 102 23.909 29.484 18.193 1.00 10.84 C ATOM 846 CG HIS M 102 23.264 29.851 19.494 1.00 11.64 C ATOM 847 ND1 HIS M 102 23.540 29.234 20.688 1.00 12.33 N ATOM 848 CD2 HIS M 102 22.333 30.808 19.760 1.00 11.21 C ATOM 849 CE1 HIS M 102 22.811 29.779 21.629 1.00 13.25 C ATOM 850 NE2 HIS M 102 22.079 30.725 21.086 1.00 12.04 N ATOM 851 N TYR M 103 27.121 31.324 18.402 1.00 10.03 N ATOM 852 CA TYR M 103 28.296 31.574 19.224 1.00 10.25 C ATOM 853 C TYR M 103 29.327 30.467 19.330 1.00 10.99 C ATOM 854 O TYR M 103 30.152 30.499 20.268 1.00 10.82 O ATOM 855 CB TYR M 103 27.874 31.996 20.652 1.00 10.13 C ATOM 856 CG TYR M 103 26.707 32.946 20.769 1.00 10.41 C ATOM 857 CD1 TYR M 103 26.840 34.297 20.467 1.00 9.40 C ATOM 858 CD2 TYR M 103 25.473 32.488 21.230 1.00 9.45 C ATOM 859 CE1 TYR M 103 25.773 35.167 20.597 1.00 9.23 C ATOM 860 CE2 TYR M 103 24.400 33.355 21.353 1.00 10.66 C ATOM 861 CZ TYR M 103 24.555 34.697 21.039 1.00 10.19 C ATOM 862 OH TYR M 103 23.471 35.539 21.174 1.00 10.78 O ATOM 863 N GLN M 104 29.303 29.512 18.419 1.00 11.31 N ATOM 864 CA GLN M 104 30.303 28.440 18.475 1.00 12.56 C ATOM 865 C GLN M 104 31.558 28.873 17.730 1.00 12.88 C ATOM 866 O GLN M 104 32.674 28.619 18.199 1.00 13.85 O ATOM 867 CB GLN M 104 29.707 27.149 17.934 1.00 14.95 C ATOM 868 CG GLN M 104 28.825 26.428 18.949 1.00 20.63 C ATOM 869 CD GLN M 104 29.575 25.858 20.141 1.00 25.40 C ATOM 870 OE1 GLN M 104 30.740 26.183 20.437 1.00 29.24 O ATOM 871 NE2 GLN M 104 28.909 24.976 20.895 1.00 28.29 N ATOM 872 N THR M 105 31.394 29.533 16.598 1.00 13.10 N ATOM 873 CA THR M 105 32.532 30.049 15.837 1.00 14.04 C ATOM 874 C THR M 105 32.246 31.514 15.483 1.00 13.92 C ATOM 875 O THR M 105 31.080 31.881 15.315 1.00 13.13 O ATOM 876 CB THR M 105 32.844 29.282 14.542 1.00 14.02 C ATOM 877 OG1 THR M 105 31.865 29.537 13.530 1.00 15.00 O ATOM 878 CG2 THR M 105 32.823 27.777 14.799 1.00 15.99 C ATOM 879 N PHE M 106 33.305 32.294 15.340 1.00 13.81 N ATOM 880 CA PHE M 106 33.171 33.706 15.000 1.00 13.73 C ATOM 881 C PHE M 106 34.134 34.118 13.897 1.00 14.99 C ATOM 882 O PHE M 106 35.229 33.579 13.750 1.00 14.79 O ATOM 883 CB PHE M 106 33.461 34.562 16.221 1.00 11.79 C ATOM 884 CG PHE M 106 32.618 34.306 17.428 1.00 10.56 C ATOM 885 CD1 PHE M 106 31.401 34.967 17.588 1.00 11.07 C ATOM 886 CD2 PHE M 106 33.051 33.429 18.411 1.00 9.90 C ATOM 887 CE1 PHE M 106 30.633 34.737 18.725 1.00 11.76 C ATOM 888 CE2 PHE M 106 32.287 33.199 19.542 1.00 11.00 C ATOM 889 CZ PHE M 106 31.068 33.859 19.701 1.00 11.35 C ATOM 890 N THR M 107 33.693 35.111 13.156 1.00 14.27 N ATOM 891 CA THR M 107 34.430 35.718 12.060 1.00 14.68 C ATOM 892 C THR M 107 34.399 37.234 12.286 1.00 15.75 C ATOM 893 O THR M 107 33.304 37.762 12.552 1.00 15.15 O ATOM 894 CB THR M 107 33.778 35.421 10.707 1.00 13.14 C ATOM 895 OG1 THR M 107 33.661 34.000 10.497 1.00 13.99 O ATOM 896 CG2 THR M 107 34.613 36.028 9.590 1.00 12.17 C ATOM 897 N LYS M 108 35.566 37.847 12.179 1.00 17.25 N ATOM 898 CA LYS M 108 35.603 39.305 12.350 1.00 18.90 C ATOM 899 C LYS M 108 35.120 39.935 11.038 1.00 20.92 C ATOM 900 O LYS M 108 35.544 39.505 9.956 1.00 20.16 O ATOM 901 CB LYS M 108 36.995 39.802 12.707 1.00 21.13 C ATOM 902 CG LYS M 108 37.013 41.273 13.114 1.00 21.56 C ATOM 903 CD LYS M 108 38.415 41.841 12.978 1.00 25.62 C ATOM 904 CE LYS M 108 39.470 40.795 13.307 1.00 26.52 C ATOM 905 NZ LYS M 108 39.670 39.849 12.176 1.00 29.52 N ATOM 906 N ILE M 109 34.238 40.924 11.162 1.00 22.38 N ATOM 907 CA ILE M 109 33.708 41.639 10.012 1.00 24.65 C ATOM 908 C ILE M 109 34.326 43.055 9.961 1.00 26.35 C ATOM 909 O ILE M 109 34.489 43.583 8.863 1.00 27.53 O ATOM 910 CB ILE M 109 32.196 41.915 10.010 1.00 24.56 C ATOM 911 CG1 ILE M 109 31.468 41.217 11.163 1.00 24.81 C ATOM 912 CG2 ILE M 109 31.586 41.489 8.676 1.00 27.33 C ATOM 913 CD1 ILE M 109 29.981 41.528 11.174 1.00 23.24 C ATOM 914 N ARG M 110 34.593 43.585 11.143 1.00 26.86 N ATOM 915 CA ARG M 110 35.164 44.926 11.346 1.00 28.58 C ATOM 916 C ARG M 110 36.169 45.025 12.484 1.00 29.53 C ATOM 917 O ARG M 110 36.181 44.707 13.720 1.00 31.12 O ATOM 918 CB ARG M 110 34.044 45.988 11.543 1.00 23.37 C ATOM 919 CG ARG M 110 32.829 45.957 10.639 1.00 22.20 C ATOM 920 CD ARG M 110 32.948 46.564 9.259 1.00 21.48 C ATOM 921 NE ARG M 110 31.724 46.685 8.449 1.00 21.34 N ATOM 922 CZ ARG M 110 30.993 45.795 7.784 1.00 21.00 C ATOM 923 NH1 ARG M 110 31.304 44.491 7.746 1.00 21.07 N ATOM 924 NH2 ARG M 110 29.889 46.065 7.068 1.00 20.83 N TER 925 ARG M 110 HETATM 926 O HOH B 5 11.141 32.708 20.622 1.00 14.02 O HETATM 927 O HOH B 6 26.456 29.095 22.606 1.00 26.47 O HETATM 928 O HOH B 7 24.250 30.231 24.417 1.00 37.46 O HETATM 929 O HOH B 8 10.921 25.913 24.596 1.00 30.76 O HETATM 930 O HOH B 9 16.000 32.416 24.656 1.00 25.36 O HETATM 931 O HOH B 10 15.980 30.143 25.998 1.00 39.51 O HETATM 932 O HOH B 11 20.296 39.210 31.450 1.00 27.29 O HETATM 933 O HOH M 111 15.001 38.732 17.146 1.00 10.11 O HETATM 934 O HOH M 112 17.416 40.480 13.079 1.00 10.79 O HETATM 935 O HOH M 113 23.952 48.544 22.304 1.00 16.27 O HETATM 936 O HOH M 114 10.986 44.814 7.005 1.00 45.12 O HETATM 937 O HOH M 115 17.056 35.351 15.439 1.00 12.59 O HETATM 938 O HOH M 116 22.175 50.170 20.938 1.00 16.83 O HETATM 939 O HOH M 117 14.963 28.932 18.275 1.00 13.41 O HETATM 940 O HOH M 118 6.973 35.420 15.823 1.00 14.93 O HETATM 941 O HOH M 119 9.852 34.457 19.036 1.00 11.14 O HETATM 942 O HOH M 120 23.211 35.944 5.875 1.00 28.83 O HETATM 943 O HOH M 121 31.053 31.938 22.647 1.00 19.89 O HETATM 944 O HOH M 122 33.454 33.070 23.853 1.00 13.50 O HETATM 945 O HOH M 123 9.519 40.816 15.325 1.00 17.96 O HETATM 946 O HOH M 124 36.509 41.469 26.987 1.00 19.10 O HETATM 947 O HOH M 125 29.315 46.244 23.506 1.00 14.03 O HETATM 948 O HOH M 126 19.859 39.116 20.910 1.00 18.79 O HETATM 949 O HOH M 127 18.488 47.207 22.095 1.00 18.05 O HETATM 950 O HOH M 128 26.600 26.914 7.123 1.00 55.65 O HETATM 951 O HOH M 129 18.747 53.533 17.358 1.00 33.50 O HETATM 952 O HOH M 130 17.443 42.682 28.637 1.00 14.68 O HETATM 953 O HOH M 131 29.956 31.302 12.614 1.00 17.13 O HETATM 954 O HOH M 132 22.020 42.383 28.963 1.00 18.42 O HETATM 955 O HOH M 133 13.807 43.752 13.044 1.00 11.73 O HETATM 956 O HOH M 134 17.495 49.715 19.304 1.00 29.13 O HETATM 957 O HOH M 135 31.006 41.078 27.976 1.00 13.74 O HETATM 958 O HOH M 136 16.497 48.946 23.113 1.00 21.80 O HETATM 959 O HOH M 137 22.511 39.238 6.670 1.00 16.80 O HETATM 960 O HOH M 138 17.758 44.889 6.508 1.00 29.89 O HETATM 961 O HOH M 139 29.805 25.868 12.230 1.00 16.45 O HETATM 962 O HOH M 140 23.033 30.435 10.178 1.00 25.79 O HETATM 963 O HOH M 141 20.333 30.486 11.559 1.00 18.33 O HETATM 964 O HOH M 142 42.368 43.478 22.410 1.00 18.93 O HETATM 965 O HOH M 143 35.737 31.188 16.354 1.00 22.51 O HETATM 966 O HOH M 144 19.437 38.767 23.642 1.00 28.00 O HETATM 967 O HOH M 145 19.615 49.653 21.008 1.00 36.35 O HETATM 968 O HOH M 146 4.615 35.073 14.316 1.00 28.81 O HETATM 969 O HOH M 147 13.284 34.828 11.133 1.00 24.62 O HETATM 970 O HOH M 148 23.459 50.416 7.374 1.00 24.43 O HETATM 971 O HOH M 149 28.180 47.051 3.200 1.00 34.18 O HETATM 972 O HOH M 150 29.031 48.810 22.434 1.00 18.12 O HETATM 973 O HOH M 151 6.511 38.029 28.327 1.00 25.50 O HETATM 974 O HOH M 152 27.255 28.103 9.816 1.00 34.99 O HETATM 975 O HOH M 153 34.980 30.947 11.763 1.00 48.13 O HETATM 976 O HOH M 154 28.326 51.331 3.784 1.00 34.25 O HETATM 977 O HOH M 155 25.192 41.092 5.019 1.00 24.95 O HETATM 978 O HOH M 156 20.215 40.915 22.622 1.00 23.54 O HETATM 979 O HOH M 157 20.180 45.540 6.145 1.00 24.09 O HETATM 980 O HOH M 158 7.459 41.172 13.619 1.00 58.94 O HETATM 981 O HOH M 159 17.585 53.440 13.269 1.00 24.69 O HETATM 982 O HOH M 160 16.111 47.138 28.402 1.00 23.16 O HETATM 983 O HOH M 161 13.357 49.836 19.549 1.00 43.31 O HETATM 984 O HOH M 162 0.436 41.989 16.203 1.00 34.95 O HETATM 985 O HOH M 163 9.304 30.633 27.215 1.00 26.93 O HETATM 986 O HOH M 164 36.180 49.017 25.684 1.00 33.72 O HETATM 987 O HOH M 165 12.766 41.888 11.403 1.00 16.96 O HETATM 988 O HOH M 166 6.666 46.989 16.781 1.00 24.16 O HETATM 989 O HOH M 167 23.997 46.140 27.417 1.00 32.98 O HETATM 990 O HOH M 168 24.947 26.774 20.988 1.00 24.66 O HETATM 991 O HOH M 169 29.830 49.285 2.309 1.00 31.36 O HETATM 992 O HOH M 170 10.662 47.535 12.449 1.00 25.97 O HETATM 993 O HOH M 171 30.978 28.588 21.989 1.00 26.44 O HETATM 994 O HOH M 172 4.231 46.016 20.150 1.00 21.62 O HETATM 995 O HOH M 173 25.415 56.337 20.157 1.00 30.59 O HETATM 996 O HOH M 174 18.074 39.868 6.571 1.00 32.00 O HETATM 997 O HOH M 175 21.489 47.723 24.855 1.00 26.87 O HETATM 998 O HOH M 176 14.272 51.141 23.944 1.00 38.67 O HETATM 999 O HOH M 177 29.858 56.796 20.754 1.00 44.51 O HETATM 1000 O HOH M 178 10.369 41.211 12.667 1.00 34.87 O HETATM 1001 O HOH M 179 15.938 28.000 15.384 1.00 42.89 O HETATM 1002 O HOH M 180 30.809 33.322 10.890 1.00 36.08 O HETATM 1003 O HOH M 181 22.667 41.526 31.695 1.00 30.05 O HETATM 1004 O HOH M 182 37.523 34.455 15.249 1.00 38.73 O HETATM 1005 O HOH M 183 32.092 27.995 11.180 1.00 56.86 O HETATM 1006 O HOH M 184 37.115 47.791 14.502 1.00 33.57 O HETATM 1007 O HOH M 185 6.272 25.683 21.988 1.00 32.50 O HETATM 1008 O HOH M 186 16.302 33.331 10.105 1.00 38.00 O HETATM 1009 O HOH M 187 25.122 29.122 8.917 1.00 35.84 O HETATM 1010 O HOH M 188 21.356 26.882 12.232 1.00 34.36 O HETATM 1011 O HOH M 189 10.285 43.413 31.150 1.00 34.77 O HETATM 1012 O HOH M 190 21.332 57.073 8.325 1.00 32.63 O HETATM 1013 O HOH M 191 41.788 37.545 24.945 1.00 27.64 O HETATM 1014 O HOH M 192 19.493 49.065 24.770 1.00 26.16 O HETATM 1015 O HOH M 193 24.361 27.150 11.722 1.00 25.43 O HETATM 1016 O HOH M 194 35.437 38.999 27.304 1.00 27.87 O HETATM 1017 O HOH M 195 28.224 29.214 27.558 1.00 34.41 O HETATM 1018 O HOH M 196 29.902 29.490 10.792 1.00 34.46 O HETATM 1019 O HOH M 197 0.761 35.219 22.967 1.00 33.36 O HETATM 1020 O HOH M 198 39.244 48.411 28.193 1.00 35.81 O HETATM 1021 O HOH M 199 40.793 35.897 20.840 1.00 40.13 O HETATM 1022 O HOH M 200 10.908 34.795 26.972 1.00 32.50 O HETATM 1023 O HOH M 201 23.035 26.303 14.494 1.00 36.70 O HETATM 1024 O HOH M 202 33.078 27.488 20.987 1.00 29.05 O HETATM 1025 O HOH M 203 33.121 39.357 29.236 1.00 36.19 O HETATM 1026 O HOH M 204 36.281 35.185 28.964 1.00 35.11 O HETATM 1027 O HOH M 205 6.536 32.775 11.679 1.00 35.14 O HETATM 1028 O HOH M 206 20.234 59.043 6.704 1.00 39.43 O HETATM 1029 O HOH M 207 24.318 52.929 7.919 1.00 31.48 O HETATM 1030 O HOH M 208 26.588 54.099 7.545 1.00 31.68 O HETATM 1031 O HOH M 209 20.008 32.669 8.488 1.00 33.07 O HETATM 1032 O HOH M 210 4.188 27.835 22.423 1.00 38.32 O HETATM 1033 O HOH M 211 4.703 27.289 25.055 1.00 36.56 O HETATM 1034 O HOH M 212 6.028 31.025 16.216 1.00 27.24 O HETATM 1035 O HOH M 213 2.033 45.270 18.663 1.00 31.77 O HETATM 1036 O HOH M 214 22.453 52.614 22.715 1.00 21.49 O HETATM 1037 O HOH M 215 15.448 50.572 12.471 1.00 22.48 O HETATM 1038 O HOH M 216 2.764 31.948 20.047 1.00 22.45 O HETATM 1039 O HOH M 217 24.261 31.688 28.613 1.00 22.41 O HETATM 1040 O HOH M 218 29.119 46.720 26.427 1.00 22.60 O HETATM 1041 O HOH M 219 19.209 36.554 14.592 1.00 22.25 O HETATM 1042 O HOH M 220 28.789 38.695 6.129 1.00 23.18 O ENDMDL MASTER 8 0 0 6 10 10 0 6 2083 4 0 20 END