HEADER SITE-SPECIFIC RECOMBINASE 29-JUN-94 1RES TITLE DETERMINATION OF THE STRUCTURE OF THE DNA BINDING DOMAIN OF TITLE 2 GAMMA DELTA RESOLVASE IN SOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: GAMMA DELTA-RESOLVASE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562 KEYWDS SITE-SPECIFIC RECOMBINASE EXPDTA SOLUTION NMR AUTHOR G.P.MULLEN REVDAT 3 24-FEB-09 1RES 1 VERSN REVDAT 2 01-APR-03 1RES 1 JRNL REVDAT 1 30-NOV-94 1RES 0 JRNL AUTH T.LIU,E.F.DEROSE,G.P.MULLEN JRNL TITL DETERMINATION OF THE STRUCTURE OF THE DNA BINDING JRNL TITL 2 DOMAIN OF GAMMA DELTA RESOLVASE IN SOLUTION. JRNL REF PROTEIN SCI. V. 3 1286 1994 JRNL REFN ISSN 0961-8368 JRNL PMID 7987224 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1RES COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 2 -73.42 -102.24 REMARK 500 ARG A 4 -79.48 -96.55 REMARK 500 LYS A 5 79.87 -114.92 REMARK 500 ARG A 8 -36.07 178.21 REMARK 500 ALA A 21 -73.60 17.90 REMARK 500 ASN A 29 91.77 -49.44 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1RET RELATED DB: PDB DBREF 1RES A 1 43 UNP P03012 TNR1_ECOLI 141 183 SEQRES 1 A 43 GLY ARG LYS ARG LYS ILE ASP ARG ASP ALA VAL LEU ASN SEQRES 2 A 43 MET TRP GLN GLN GLY LEU GLY ALA SER HIS ILE SER LYS SEQRES 3 A 43 THR MET ASN ILE ALA ARG SER THR VAL TYR LYS VAL ILE SEQRES 4 A 43 ASN GLU SER ASN HELIX 1 H1 ASP A 9 GLN A 17 1RESIDUES 149 - 157 9 HELIX 2 H2 SER A 22 THR A 27 1RESIDUES 162 - 167 6 HELIX 3 H3 ARG A 32 ASN A 43 1RESIDUES 172 - 183 12 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 N GLY A 1 -28.805 57.622 39.415 1.00 0.00 N ATOM 2 CA GLY A 1 -29.353 56.930 38.214 1.00 0.00 C ATOM 3 C GLY A 1 -28.354 57.041 37.061 1.00 0.00 C ATOM 4 O GLY A 1 -27.333 57.693 37.174 1.00 0.00 O ATOM 5 H1 GLY A 1 -27.776 57.479 39.458 1.00 0.00 H ATOM 6 H2 GLY A 1 -29.013 58.640 39.352 1.00 0.00 H ATOM 7 H3 GLY A 1 -29.244 57.230 40.272 1.00 0.00 H ATOM 8 HA2 GLY A 1 -29.521 55.889 38.444 1.00 0.00 H ATOM 9 HA3 GLY A 1 -30.287 57.392 37.928 1.00 0.00 H ATOM 10 N ARG A 2 -28.643 56.407 35.952 1.00 0.00 N ATOM 11 CA ARG A 2 -27.715 56.468 34.785 1.00 0.00 C ATOM 12 C ARG A 2 -28.262 57.452 33.749 1.00 0.00 C ATOM 13 O ARG A 2 -27.748 58.542 33.586 1.00 0.00 O ATOM 14 CB ARG A 2 -27.594 55.078 34.156 1.00 0.00 C ATOM 15 CG ARG A 2 -26.367 54.363 34.726 1.00 0.00 C ATOM 16 CD ARG A 2 -25.742 53.479 33.645 1.00 0.00 C ATOM 17 NE ARG A 2 -25.148 52.261 34.278 1.00 0.00 N ATOM 18 CZ ARG A 2 -24.803 51.211 33.559 1.00 0.00 C ATOM 19 NH1 ARG A 2 -24.966 51.186 32.256 1.00 0.00 N ATOM 20 NH2 ARG A 2 -24.288 50.171 34.157 1.00 0.00 N ATOM 21 H ARG A 2 -29.472 55.888 35.889 1.00 0.00 H ATOM 22 HA ARG A 2 -26.742 56.800 35.117 1.00 0.00 H ATOM 23 HB2 ARG A 2 -28.482 54.504 34.379 1.00 0.00 H ATOM 24 HB3 ARG A 2 -27.487 55.174 33.086 1.00 0.00 H ATOM 25 HG2 ARG A 2 -25.644 55.096 35.055 1.00 0.00 H ATOM 26 HG3 ARG A 2 -26.664 53.749 35.562 1.00 0.00 H ATOM 27 HD2 ARG A 2 -26.502 53.183 32.937 1.00 0.00 H ATOM 28 HD3 ARG A 2 -24.968 54.031 33.131 1.00 0.00 H ATOM 29 HE ARG A 2 -25.013 52.243 35.249 1.00 0.00 H ATOM 30 HH11 ARG A 2 -25.358 51.971 31.779 1.00 0.00 H ATOM 31 HH12 ARG A 2 -24.694 50.375 31.737 1.00 0.00 H ATOM 32 HH21 ARG A 2 -24.160 50.177 35.148 1.00 0.00 H ATOM 33 HH22 ARG A 2 -24.023 49.368 33.623 1.00 0.00 H ATOM 34 N LYS A 3 -29.300 57.072 33.047 1.00 0.00 N ATOM 35 CA LYS A 3 -29.886 57.977 32.016 1.00 0.00 C ATOM 36 C LYS A 3 -31.283 58.423 32.461 1.00 0.00 C ATOM 37 O LYS A 3 -32.209 58.470 31.673 1.00 0.00 O ATOM 38 CB LYS A 3 -29.984 57.226 30.685 1.00 0.00 C ATOM 39 CG LYS A 3 -29.658 58.178 29.531 1.00 0.00 C ATOM 40 CD LYS A 3 -28.182 58.037 29.153 1.00 0.00 C ATOM 41 CE LYS A 3 -27.986 56.768 28.322 1.00 0.00 C ATOM 42 NZ LYS A 3 -28.836 56.838 27.100 1.00 0.00 N ATOM 43 H LYS A 3 -29.692 56.187 33.197 1.00 0.00 H ATOM 44 HA LYS A 3 -29.253 58.844 31.897 1.00 0.00 H ATOM 45 HB2 LYS A 3 -29.281 56.405 30.685 1.00 0.00 H ATOM 46 HB3 LYS A 3 -30.985 56.842 30.560 1.00 0.00 H ATOM 47 HG2 LYS A 3 -30.274 57.933 28.678 1.00 0.00 H ATOM 48 HG3 LYS A 3 -29.853 59.195 29.837 1.00 0.00 H ATOM 49 HD2 LYS A 3 -27.874 58.898 28.577 1.00 0.00 H ATOM 50 HD3 LYS A 3 -27.585 57.973 30.051 1.00 0.00 H ATOM 51 HE2 LYS A 3 -26.949 56.683 28.035 1.00 0.00 H ATOM 52 HE3 LYS A 3 -28.269 55.907 28.909 1.00 0.00 H ATOM 53 HZ1 LYS A 3 -28.862 57.816 26.751 1.00 0.00 H ATOM 54 HZ2 LYS A 3 -28.438 56.220 26.365 1.00 0.00 H ATOM 55 HZ3 LYS A 3 -29.801 56.526 27.332 1.00 0.00 H ATOM 56 N ARG A 4 -31.438 58.750 33.719 1.00 0.00 N ATOM 57 CA ARG A 4 -32.771 59.192 34.223 1.00 0.00 C ATOM 58 C ARG A 4 -32.834 60.724 34.235 1.00 0.00 C ATOM 59 O ARG A 4 -33.406 61.333 33.351 1.00 0.00 O ATOM 60 CB ARG A 4 -32.985 58.652 35.641 1.00 0.00 C ATOM 61 CG ARG A 4 -33.557 57.236 35.569 1.00 0.00 C ATOM 62 CD ARG A 4 -33.055 56.421 36.762 1.00 0.00 C ATOM 63 NE ARG A 4 -33.377 57.145 38.031 1.00 0.00 N ATOM 64 CZ ARG A 4 -33.310 56.544 39.203 1.00 0.00 C ATOM 65 NH1 ARG A 4 -32.954 55.284 39.310 1.00 0.00 N ATOM 66 NH2 ARG A 4 -33.603 57.216 40.282 1.00 0.00 N ATOM 67 H ARG A 4 -30.675 58.703 34.333 1.00 0.00 H ATOM 68 HA ARG A 4 -33.544 58.808 33.574 1.00 0.00 H ATOM 69 HB2 ARG A 4 -32.040 58.633 36.165 1.00 0.00 H ATOM 70 HB3 ARG A 4 -33.676 59.291 36.169 1.00 0.00 H ATOM 71 HG2 ARG A 4 -34.637 57.282 35.591 1.00 0.00 H ATOM 72 HG3 ARG A 4 -33.236 56.764 34.652 1.00 0.00 H ATOM 73 HD2 ARG A 4 -33.538 55.455 36.767 1.00 0.00 H ATOM 74 HD3 ARG A 4 -31.986 56.289 36.684 1.00 0.00 H ATOM 75 HE ARG A 4 -33.645 58.087 37.990 1.00 0.00 H ATOM 76 HH11 ARG A 4 -32.724 54.751 38.497 1.00 0.00 H ATOM 77 HH12 ARG A 4 -32.912 54.855 40.212 1.00 0.00 H ATOM 78 HH21 ARG A 4 -33.875 58.176 40.214 1.00 0.00 H ATOM 79 HH22 ARG A 4 -33.556 56.772 41.176 1.00 0.00 H ATOM 80 N LYS A 5 -32.255 61.349 35.231 1.00 0.00 N ATOM 81 CA LYS A 5 -32.282 62.837 35.307 1.00 0.00 C ATOM 82 C LYS A 5 -30.857 63.382 35.168 1.00 0.00 C ATOM 83 O LYS A 5 -30.217 63.727 36.144 1.00 0.00 O ATOM 84 CB LYS A 5 -32.864 63.258 36.658 1.00 0.00 C ATOM 85 CG LYS A 5 -33.019 64.779 36.700 1.00 0.00 C ATOM 86 CD LYS A 5 -34.299 65.182 35.965 1.00 0.00 C ATOM 87 CE LYS A 5 -34.102 66.551 35.311 1.00 0.00 C ATOM 88 NZ LYS A 5 -34.959 66.648 34.095 1.00 0.00 N ATOM 89 H LYS A 5 -31.805 60.836 35.934 1.00 0.00 H ATOM 90 HA LYS A 5 -32.898 63.229 34.511 1.00 0.00 H ATOM 91 HB2 LYS A 5 -33.829 62.791 36.792 1.00 0.00 H ATOM 92 HB3 LYS A 5 -32.199 62.942 37.447 1.00 0.00 H ATOM 93 HG2 LYS A 5 -33.076 65.106 37.729 1.00 0.00 H ATOM 94 HG3 LYS A 5 -32.170 65.242 36.221 1.00 0.00 H ATOM 95 HD2 LYS A 5 -34.523 64.448 35.204 1.00 0.00 H ATOM 96 HD3 LYS A 5 -35.117 65.235 36.667 1.00 0.00 H ATOM 97 HE2 LYS A 5 -34.379 67.327 36.009 1.00 0.00 H ATOM 98 HE3 LYS A 5 -33.066 66.671 35.032 1.00 0.00 H ATOM 99 HZ1 LYS A 5 -35.910 66.286 34.311 1.00 0.00 H ATOM 100 HZ2 LYS A 5 -35.025 67.642 33.796 1.00 0.00 H ATOM 101 HZ3 LYS A 5 -34.539 66.086 33.329 1.00 0.00 H ATOM 102 N ILE A 6 -30.360 63.460 33.960 1.00 0.00 N ATOM 103 CA ILE A 6 -28.977 63.980 33.746 1.00 0.00 C ATOM 104 C ILE A 6 -28.865 64.572 32.338 1.00 0.00 C ATOM 105 O ILE A 6 -29.497 64.107 31.409 1.00 0.00 O ATOM 106 CB ILE A 6 -27.969 62.838 33.903 1.00 0.00 C ATOM 107 CG1 ILE A 6 -28.334 61.693 32.951 1.00 0.00 C ATOM 108 CG2 ILE A 6 -27.997 62.328 35.345 1.00 0.00 C ATOM 109 CD1 ILE A 6 -27.547 61.842 31.647 1.00 0.00 C ATOM 110 H ILE A 6 -30.898 63.175 33.192 1.00 0.00 H ATOM 111 HA ILE A 6 -28.766 64.748 34.475 1.00 0.00 H ATOM 112 HB ILE A 6 -26.978 63.200 33.670 1.00 0.00 H ATOM 113 HG12 ILE A 6 -28.087 60.749 33.414 1.00 0.00 H ATOM 114 HG13 ILE A 6 -29.391 61.724 32.736 1.00 0.00 H ATOM 115 HG21 ILE A 6 -28.046 63.167 36.023 1.00 0.00 H ATOM 116 HG22 ILE A 6 -28.863 61.698 35.487 1.00 0.00 H ATOM 117 HG23 ILE A 6 -27.101 61.757 35.542 1.00 0.00 H ATOM 118 HD11 ILE A 6 -26.641 62.400 31.834 1.00 0.00 H ATOM 119 HD12 ILE A 6 -27.295 60.864 31.266 1.00 0.00 H ATOM 120 HD13 ILE A 6 -28.150 62.367 30.921 1.00 0.00 H ATOM 121 N ASP A 7 -28.062 65.593 32.179 1.00 0.00 N ATOM 122 CA ASP A 7 -27.899 66.223 30.835 1.00 0.00 C ATOM 123 C ASP A 7 -26.643 65.666 30.163 1.00 0.00 C ATOM 124 O ASP A 7 -25.741 65.183 30.820 1.00 0.00 O ATOM 125 CB ASP A 7 -27.763 67.738 30.995 1.00 0.00 C ATOM 126 CG ASP A 7 -28.266 68.432 29.728 1.00 0.00 C ATOM 127 OD1 ASP A 7 -27.553 68.407 28.739 1.00 0.00 O ATOM 128 OD2 ASP A 7 -29.357 68.977 29.769 1.00 0.00 O ATOM 129 H ASP A 7 -27.565 65.946 32.945 1.00 0.00 H ATOM 130 HA ASP A 7 -28.762 66.000 30.226 1.00 0.00 H ATOM 131 HB2 ASP A 7 -28.348 68.065 31.843 1.00 0.00 H ATOM 132 HB3 ASP A 7 -26.726 67.992 31.154 1.00 0.00 H ATOM 133 N ARG A 8 -26.577 65.736 28.855 1.00 0.00 N ATOM 134 CA ARG A 8 -25.383 65.220 28.124 1.00 0.00 C ATOM 135 C ARG A 8 -25.591 65.387 26.616 1.00 0.00 C ATOM 136 O ARG A 8 -24.662 65.665 25.884 1.00 0.00 O ATOM 137 CB ARG A 8 -25.169 63.736 28.444 1.00 0.00 C ATOM 138 CG ARG A 8 -26.472 62.964 28.214 1.00 0.00 C ATOM 139 CD ARG A 8 -26.236 61.467 28.439 1.00 0.00 C ATOM 140 NE ARG A 8 -26.886 60.676 27.338 1.00 0.00 N ATOM 141 CZ ARG A 8 -28.155 60.826 27.017 1.00 0.00 C ATOM 142 NH1 ARG A 8 -28.974 61.524 27.767 1.00 0.00 N ATOM 143 NH2 ARG A 8 -28.622 60.215 25.963 1.00 0.00 N ATOM 144 H ARG A 8 -27.312 66.136 28.355 1.00 0.00 H ATOM 145 HA ARG A 8 -24.518 65.782 28.428 1.00 0.00 H ATOM 146 HB2 ARG A 8 -24.397 63.338 27.801 1.00 0.00 H ATOM 147 HB3 ARG A 8 -24.867 63.628 29.475 1.00 0.00 H ATOM 148 HG2 ARG A 8 -27.225 63.318 28.903 1.00 0.00 H ATOM 149 HG3 ARG A 8 -26.810 63.123 27.201 1.00 0.00 H ATOM 150 HD2 ARG A 8 -25.181 61.262 28.412 1.00 0.00 H ATOM 151 HD3 ARG A 8 -26.626 61.185 29.414 1.00 0.00 H ATOM 152 HE ARG A 8 -26.333 60.065 26.806 1.00 0.00 H ATOM 153 HH11 ARG A 8 -28.651 61.953 28.607 1.00 0.00 H ATOM 154 HH12 ARG A 8 -29.931 61.625 27.494 1.00 0.00 H ATOM 155 HH21 ARG A 8 -28.018 59.641 25.409 1.00 0.00 H ATOM 156 HH22 ARG A 8 -29.583 60.321 25.708 1.00 0.00 H ATOM 157 N ASP A 9 -26.801 65.214 26.150 1.00 0.98 N ATOM 158 CA ASP A 9 -27.077 65.356 24.689 1.00 0.99 C ATOM 159 C ASP A 9 -26.976 66.829 24.273 1.00 0.81 C ATOM 160 O ASP A 9 -26.805 67.136 23.109 1.00 0.82 O ATOM 161 CB ASP A 9 -28.486 64.841 24.388 1.00 1.17 C ATOM 162 CG ASP A 9 -28.426 63.346 24.070 1.00 1.85 C ATOM 163 OD1 ASP A 9 -27.865 62.613 24.868 1.00 2.62 O ATOM 164 OD2 ASP A 9 -28.943 62.959 23.035 1.00 2.25 O ATOM 165 H ASP A 9 -27.530 64.988 26.762 1.00 1.03 H ATOM 166 HA ASP A 9 -26.358 64.776 24.131 1.00 1.08 H ATOM 167 HB2 ASP A 9 -29.120 65.002 25.248 1.00 1.41 H ATOM 168 HB3 ASP A 9 -28.890 65.371 23.538 1.00 1.47 H ATOM 169 N ALA A 10 -27.087 67.740 25.209 1.00 0.72 N ATOM 170 CA ALA A 10 -27.005 69.189 24.862 1.00 0.70 C ATOM 171 C ALA A 10 -25.577 69.541 24.431 1.00 0.54 C ATOM 172 O ALA A 10 -25.325 69.858 23.281 1.00 0.54 O ATOM 173 CB ALA A 10 -27.392 70.022 26.087 1.00 0.83 C ATOM 174 H ALA A 10 -27.232 67.473 26.139 1.00 0.76 H ATOM 175 HA ALA A 10 -27.687 69.403 24.053 1.00 0.83 H ATOM 176 HB1 ALA A 10 -27.977 69.416 26.763 1.00 1.29 H ATOM 177 HB2 ALA A 10 -26.499 70.363 26.591 1.00 1.44 H ATOM 178 HB3 ALA A 10 -27.975 70.874 25.773 1.00 1.22 H ATOM 179 N VAL A 11 -24.641 69.493 25.347 1.00 0.52 N ATOM 180 CA VAL A 11 -23.225 69.831 25.002 1.00 0.53 C ATOM 181 C VAL A 11 -22.717 68.859 23.936 1.00 0.49 C ATOM 182 O VAL A 11 -22.036 69.246 23.003 1.00 0.51 O ATOM 183 CB VAL A 11 -22.349 69.722 26.254 1.00 0.67 C ATOM 184 CG1 VAL A 11 -20.920 70.168 25.923 1.00 0.80 C ATOM 185 CG2 VAL A 11 -22.917 70.619 27.358 1.00 0.77 C ATOM 186 H VAL A 11 -24.871 69.236 26.265 1.00 0.61 H ATOM 187 HA VAL A 11 -23.181 70.840 24.618 1.00 0.59 H ATOM 188 HB VAL A 11 -22.334 68.696 26.593 1.00 0.69 H ATOM 189 HG11 VAL A 11 -20.939 70.839 25.077 1.00 1.16 H ATOM 190 HG12 VAL A 11 -20.494 70.675 26.776 1.00 1.41 H ATOM 191 HG13 VAL A 11 -20.319 69.302 25.682 1.00 1.36 H ATOM 192 HG21 VAL A 11 -23.978 70.750 27.207 1.00 1.18 H ATOM 193 HG22 VAL A 11 -22.745 70.159 28.319 1.00 1.23 H ATOM 194 HG23 VAL A 11 -22.428 71.581 27.327 1.00 1.29 H ATOM 195 N LEU A 12 -23.047 67.603 24.071 1.00 0.58 N ATOM 196 CA LEU A 12 -22.593 66.593 23.073 1.00 0.70 C ATOM 197 C LEU A 12 -23.186 66.926 21.702 1.00 0.57 C ATOM 198 O LEU A 12 -22.618 66.602 20.683 1.00 0.65 O ATOM 199 CB LEU A 12 -23.056 65.201 23.507 1.00 0.96 C ATOM 200 CG LEU A 12 -22.208 64.139 22.805 1.00 1.41 C ATOM 201 CD1 LEU A 12 -21.040 63.739 23.708 1.00 2.00 C ATOM 202 CD2 LEU A 12 -23.071 62.908 22.516 1.00 1.95 C ATOM 203 H LEU A 12 -23.598 67.323 24.831 1.00 0.65 H ATOM 204 HA LEU A 12 -21.515 66.610 23.011 1.00 0.80 H ATOM 205 HB2 LEU A 12 -22.943 65.103 24.577 1.00 1.19 H ATOM 206 HB3 LEU A 12 -24.094 65.067 23.240 1.00 1.18 H ATOM 207 HG LEU A 12 -21.825 64.539 21.878 1.00 1.80 H ATOM 208 HD11 LEU A 12 -20.764 64.577 24.331 1.00 2.34 H ATOM 209 HD12 LEU A 12 -21.335 62.908 24.331 1.00 2.68 H ATOM 210 HD13 LEU A 12 -20.197 63.450 23.098 1.00 2.19 H ATOM 211 HD21 LEU A 12 -23.662 62.669 23.387 1.00 2.45 H ATOM 212 HD22 LEU A 12 -23.726 63.115 21.682 1.00 2.38 H ATOM 213 HD23 LEU A 12 -22.433 62.071 22.273 1.00 2.28 H ATOM 214 N ASN A 13 -24.323 67.573 21.669 1.00 0.53 N ATOM 215 CA ASN A 13 -24.948 67.923 20.359 1.00 0.61 C ATOM 216 C ASN A 13 -24.153 69.048 19.689 1.00 0.53 C ATOM 217 O ASN A 13 -24.128 69.161 18.480 1.00 0.67 O ATOM 218 CB ASN A 13 -26.388 68.381 20.588 1.00 0.76 C ATOM 219 CG ASN A 13 -27.346 67.202 20.390 1.00 1.31 C ATOM 220 OD1 ASN A 13 -28.431 67.368 19.868 1.00 2.20 O ATOM 221 ND2 ASN A 13 -26.992 66.009 20.786 1.00 1.62 N ATOM 222 H ASN A 13 -24.766 67.827 22.504 1.00 0.57 H ATOM 223 HA ASN A 13 -24.950 67.058 19.719 1.00 0.74 H ATOM 224 HB2 ASN A 13 -26.488 68.762 21.592 1.00 1.15 H ATOM 225 HB3 ASN A 13 -26.631 69.158 19.882 1.00 1.01 H ATOM 226 HD21 ASN A 13 -26.117 65.873 21.208 1.00 1.83 H ATOM 227 HD22 ASN A 13 -27.600 65.251 20.663 1.00 2.15 H ATOM 228 N MET A 14 -23.515 69.886 20.466 1.00 0.48 N ATOM 229 CA MET A 14 -22.737 71.009 19.889 1.00 0.62 C ATOM 230 C MET A 14 -21.486 70.492 19.160 1.00 0.59 C ATOM 231 O MET A 14 -21.228 70.843 18.027 1.00 0.98 O ATOM 232 CB MET A 14 -22.302 71.929 21.020 1.00 0.86 C ATOM 233 CG MET A 14 -23.534 72.431 21.771 1.00 1.23 C ATOM 234 SD MET A 14 -24.509 73.505 20.687 1.00 2.37 S ATOM 235 CE MET A 14 -26.096 72.661 20.896 1.00 2.86 C ATOM 236 H MET A 14 -23.558 69.786 21.434 1.00 0.49 H ATOM 237 HA MET A 14 -23.365 71.564 19.214 1.00 0.75 H ATOM 238 HB2 MET A 14 -21.664 71.383 21.699 1.00 1.15 H ATOM 239 HB3 MET A 14 -21.764 72.768 20.610 1.00 1.34 H ATOM 240 HG2 MET A 14 -24.136 71.589 22.081 1.00 1.71 H ATOM 241 HG3 MET A 14 -23.218 72.986 22.640 1.00 1.58 H ATOM 242 HE1 MET A 14 -26.105 72.144 21.846 1.00 3.26 H ATOM 243 HE2 MET A 14 -26.896 73.383 20.875 1.00 3.43 H ATOM 244 HE3 MET A 14 -26.233 71.951 20.092 1.00 2.83 H ATOM 245 N TRP A 15 -20.693 69.691 19.825 1.00 0.44 N ATOM 246 CA TRP A 15 -19.424 69.170 19.212 1.00 0.44 C ATOM 247 C TRP A 15 -19.693 68.130 18.128 1.00 0.43 C ATOM 248 O TRP A 15 -19.001 68.071 17.129 1.00 0.57 O ATOM 249 CB TRP A 15 -18.596 68.489 20.298 1.00 0.53 C ATOM 250 CG TRP A 15 -18.162 69.489 21.284 1.00 0.44 C ATOM 251 CD1 TRP A 15 -18.716 69.655 22.492 1.00 0.49 C ATOM 252 CD2 TRP A 15 -17.095 70.457 21.173 1.00 0.38 C ATOM 253 NE1 TRP A 15 -18.063 70.693 23.133 1.00 0.50 N ATOM 254 CE2 TRP A 15 -17.057 71.227 22.345 1.00 0.45 C ATOM 255 CE3 TRP A 15 -16.174 70.749 20.168 1.00 0.41 C ATOM 256 CZ2 TRP A 15 -16.127 72.260 22.500 1.00 0.54 C ATOM 257 CZ3 TRP A 15 -15.245 71.773 20.331 1.00 0.49 C ATOM 258 CH2 TRP A 15 -15.226 72.528 21.493 1.00 0.54 C ATOM 259 H TRP A 15 -20.918 69.449 20.749 1.00 0.66 H ATOM 260 HA TRP A 15 -18.858 69.989 18.796 1.00 0.51 H ATOM 261 HB2 TRP A 15 -19.199 67.751 20.793 1.00 0.68 H ATOM 262 HB3 TRP A 15 -17.734 68.023 19.856 1.00 0.62 H ATOM 263 HD1 TRP A 15 -19.538 69.067 22.886 1.00 0.57 H ATOM 264 HE1 TRP A 15 -18.267 71.015 24.026 1.00 0.59 H ATOM 265 HE3 TRP A 15 -16.164 70.167 19.277 1.00 0.47 H ATOM 266 HZ2 TRP A 15 -16.113 72.853 23.399 1.00 0.65 H ATOM 267 HZ3 TRP A 15 -14.560 71.993 19.548 1.00 0.57 H ATOM 268 HH2 TRP A 15 -14.501 73.302 21.620 1.00 0.66 H ATOM 269 N GLN A 16 -20.648 67.280 18.348 1.00 0.43 N ATOM 270 CA GLN A 16 -20.937 66.196 17.372 1.00 0.53 C ATOM 271 C GLN A 16 -21.518 66.755 16.066 1.00 0.54 C ATOM 272 O GLN A 16 -21.627 66.043 15.085 1.00 0.65 O ATOM 273 CB GLN A 16 -21.913 65.222 18.026 1.00 0.65 C ATOM 274 CG GLN A 16 -21.287 64.689 19.323 1.00 0.67 C ATOM 275 CD GLN A 16 -20.212 63.654 18.984 1.00 1.07 C ATOM 276 OE1 GLN A 16 -20.326 62.941 18.007 1.00 1.64 O ATOM 277 NE2 GLN A 16 -19.166 63.541 19.756 1.00 1.72 N ATOM 278 H GLN A 16 -21.160 67.332 19.178 1.00 0.49 H ATOM 279 HA GLN A 16 -20.019 65.672 17.151 1.00 0.59 H ATOM 280 HB2 GLN A 16 -22.835 65.737 18.254 1.00 0.65 H ATOM 281 HB3 GLN A 16 -22.110 64.399 17.356 1.00 0.80 H ATOM 282 HG2 GLN A 16 -20.837 65.512 19.878 1.00 0.67 H ATOM 283 HG3 GLN A 16 -22.052 64.227 19.927 1.00 0.85 H ATOM 284 HE21 GLN A 16 -19.074 64.116 20.544 1.00 2.27 H ATOM 285 HE22 GLN A 16 -18.472 62.881 19.548 1.00 2.00 H ATOM 286 N GLN A 17 -21.886 68.014 16.034 1.00 0.54 N ATOM 287 CA GLN A 17 -22.451 68.597 14.780 1.00 0.60 C ATOM 288 C GLN A 17 -21.380 69.398 14.013 1.00 0.64 C ATOM 289 O GLN A 17 -21.663 69.971 12.977 1.00 0.96 O ATOM 290 CB GLN A 17 -23.613 69.515 15.146 1.00 0.62 C ATOM 291 CG GLN A 17 -24.692 68.697 15.853 1.00 0.64 C ATOM 292 CD GLN A 17 -25.501 67.911 14.819 1.00 1.45 C ATOM 293 OE1 GLN A 17 -25.012 67.607 13.750 1.00 2.36 O ATOM 294 NE2 GLN A 17 -26.730 67.568 15.095 1.00 1.78 N ATOM 295 H GLN A 17 -21.796 68.575 16.831 1.00 0.58 H ATOM 296 HA GLN A 17 -22.815 67.799 14.151 1.00 0.67 H ATOM 297 HB2 GLN A 17 -23.259 70.290 15.808 1.00 0.61 H ATOM 298 HB3 GLN A 17 -24.023 69.958 14.252 1.00 0.68 H ATOM 299 HG2 GLN A 17 -24.221 68.010 16.543 1.00 0.91 H ATOM 300 HG3 GLN A 17 -25.349 69.360 16.395 1.00 1.12 H ATOM 301 HE21 GLN A 17 -27.126 67.815 15.958 1.00 1.81 H ATOM 302 HE22 GLN A 17 -27.257 67.065 14.440 1.00 2.43 H ATOM 303 N GLY A 18 -20.159 69.443 14.500 1.00 0.55 N ATOM 304 CA GLY A 18 -19.087 70.204 13.784 1.00 0.58 C ATOM 305 C GLY A 18 -19.132 71.676 14.202 1.00 0.54 C ATOM 306 O GLY A 18 -19.428 72.547 13.406 1.00 0.81 O ATOM 307 H GLY A 18 -19.944 68.976 15.330 1.00 0.70 H ATOM 308 HA2 GLY A 18 -18.122 69.787 14.035 1.00 0.63 H ATOM 309 HA3 GLY A 18 -19.244 70.131 12.719 1.00 0.66 H ATOM 310 N LEU A 19 -18.853 71.954 15.449 1.00 0.63 N ATOM 311 CA LEU A 19 -18.887 73.364 15.941 1.00 0.60 C ATOM 312 C LEU A 19 -17.533 73.747 16.531 1.00 0.56 C ATOM 313 O LEU A 19 -16.560 73.030 16.394 1.00 0.70 O ATOM 314 CB LEU A 19 -19.952 73.486 17.019 1.00 0.72 C ATOM 315 CG LEU A 19 -21.345 73.616 16.412 1.00 0.73 C ATOM 316 CD1 LEU A 19 -21.681 72.387 15.570 1.00 1.18 C ATOM 317 CD2 LEU A 19 -22.339 73.737 17.561 1.00 1.33 C ATOM 318 H LEU A 19 -18.628 71.230 16.070 1.00 0.92 H ATOM 319 HA LEU A 19 -19.116 74.033 15.137 1.00 0.63 H ATOM 320 HB2 LEU A 19 -19.919 72.616 17.654 1.00 0.87 H ATOM 321 HB3 LEU A 19 -19.756 74.361 17.605 1.00 1.03 H ATOM 322 HG LEU A 19 -21.393 74.502 15.797 1.00 1.44 H ATOM 323 HD11 LEU A 19 -21.111 71.542 15.924 1.00 1.79 H ATOM 324 HD12 LEU A 19 -22.735 72.174 15.653 1.00 1.76 H ATOM 325 HD13 LEU A 19 -21.433 72.582 14.538 1.00 1.70 H ATOM 326 HD21 LEU A 19 -21.886 74.314 18.356 1.00 1.92 H ATOM 327 HD22 LEU A 19 -23.234 74.232 17.217 1.00 1.86 H ATOM 328 HD23 LEU A 19 -22.586 72.752 17.928 1.00 1.80 H ATOM 329 N GLY A 20 -17.466 74.883 17.181 1.00 0.49 N ATOM 330 CA GLY A 20 -16.170 75.329 17.776 1.00 0.53 C ATOM 331 C GLY A 20 -16.406 76.354 18.893 1.00 0.49 C ATOM 332 O GLY A 20 -16.887 77.428 18.633 1.00 0.50 O ATOM 333 H GLY A 20 -18.269 75.444 17.268 1.00 0.51 H ATOM 334 HA2 GLY A 20 -15.646 74.475 18.178 1.00 0.65 H ATOM 335 HA3 GLY A 20 -15.566 75.783 17.005 1.00 0.58 H ATOM 336 N ALA A 21 -16.047 75.998 20.123 1.00 0.55 N ATOM 337 CA ALA A 21 -16.173 76.890 21.350 1.00 0.59 C ATOM 338 C ALA A 21 -17.131 78.076 21.178 1.00 0.49 C ATOM 339 O ALA A 21 -18.200 78.081 21.735 1.00 0.48 O ATOM 340 CB ALA A 21 -14.791 77.434 21.714 1.00 0.71 C ATOM 341 H ALA A 21 -15.671 75.103 20.250 1.00 0.62 H ATOM 342 HA ALA A 21 -16.523 76.287 22.174 1.00 0.71 H ATOM 343 HB1 ALA A 21 -14.340 77.884 20.842 1.00 1.27 H ATOM 344 HB2 ALA A 21 -14.892 78.178 22.492 1.00 1.13 H ATOM 345 HB3 ALA A 21 -14.167 76.627 22.067 1.00 1.26 H ATOM 346 N SER A 22 -16.741 79.089 20.432 1.00 0.53 N ATOM 347 CA SER A 22 -17.621 80.291 20.227 1.00 0.56 C ATOM 348 C SER A 22 -19.053 79.858 19.868 1.00 0.44 C ATOM 349 O SER A 22 -19.990 80.161 20.579 1.00 0.51 O ATOM 350 CB SER A 22 -17.052 81.142 19.091 1.00 0.82 C ATOM 351 OG SER A 22 -16.011 81.967 19.599 1.00 1.56 O ATOM 352 H SER A 22 -15.857 79.062 20.008 1.00 0.60 H ATOM 353 HA SER A 22 -17.642 80.876 21.134 1.00 0.64 H ATOM 354 HB2 SER A 22 -16.653 80.501 18.323 1.00 1.25 H ATOM 355 HB3 SER A 22 -17.839 81.755 18.672 1.00 1.13 H ATOM 356 HG SER A 22 -16.379 82.836 19.774 1.00 1.93 H ATOM 357 N HIS A 23 -19.220 79.147 18.780 1.00 0.51 N ATOM 358 CA HIS A 23 -20.583 78.680 18.383 1.00 0.64 C ATOM 359 C HIS A 23 -21.068 77.641 19.403 1.00 0.56 C ATOM 360 O HIS A 23 -22.237 77.582 19.735 1.00 0.74 O ATOM 361 CB HIS A 23 -20.517 78.048 16.985 1.00 0.88 C ATOM 362 CG HIS A 23 -21.885 77.571 16.568 1.00 1.07 C ATOM 363 ND1 HIS A 23 -22.507 78.018 15.413 1.00 1.31 N ATOM 364 CD2 HIS A 23 -22.759 76.681 17.145 1.00 1.33 C ATOM 365 CE1 HIS A 23 -23.701 77.403 15.332 1.00 1.64 C ATOM 366 NE2 HIS A 23 -23.905 76.576 16.362 1.00 1.68 N ATOM 367 H HIS A 23 -18.448 78.915 18.228 1.00 0.62 H ATOM 368 HA HIS A 23 -21.263 79.519 18.371 1.00 0.78 H ATOM 369 HB2 HIS A 23 -20.164 78.783 16.277 1.00 1.12 H ATOM 370 HB3 HIS A 23 -19.835 77.211 17.002 1.00 1.03 H ATOM 371 HD1 HIS A 23 -22.144 78.666 14.774 1.00 1.38 H ATOM 372 HD2 HIS A 23 -22.582 76.146 18.070 1.00 1.41 H ATOM 373 HE1 HIS A 23 -24.409 77.557 14.530 1.00 1.94 H ATOM 374 N ILE A 24 -20.171 76.833 19.912 1.00 0.43 N ATOM 375 CA ILE A 24 -20.567 75.796 20.930 1.00 0.52 C ATOM 376 C ILE A 24 -20.978 76.483 22.242 1.00 0.75 C ATOM 377 O ILE A 24 -21.527 75.865 23.131 1.00 1.20 O ATOM 378 CB ILE A 24 -19.376 74.864 21.179 1.00 0.52 C ATOM 379 CG1 ILE A 24 -18.892 74.327 19.846 1.00 0.91 C ATOM 380 CG2 ILE A 24 -19.767 73.667 22.065 1.00 0.80 C ATOM 381 CD1 ILE A 24 -17.617 73.564 20.080 1.00 1.39 C ATOM 382 H ILE A 24 -19.230 76.918 19.636 1.00 0.41 H ATOM 383 HA ILE A 24 -21.399 75.221 20.551 1.00 0.64 H ATOM 384 HB ILE A 24 -18.579 75.417 21.652 1.00 0.84 H ATOM 385 HG12 ILE A 24 -19.639 73.664 19.442 1.00 1.06 H ATOM 386 HG13 ILE A 24 -18.710 75.137 19.161 1.00 1.43 H ATOM 387 HG21 ILE A 24 -20.840 73.597 22.119 1.00 1.33 H ATOM 388 HG22 ILE A 24 -19.356 72.742 21.639 1.00 1.24 H ATOM 389 HG23 ILE A 24 -19.361 73.808 23.053 1.00 1.29 H ATOM 390 HD11 ILE A 24 -17.072 74.040 20.878 1.00 1.85 H ATOM 391 HD12 ILE A 24 -17.867 72.564 20.364 1.00 1.88 H ATOM 392 HD13 ILE A 24 -17.027 73.549 19.188 1.00 1.84 H ATOM 393 N SER A 25 -20.716 77.759 22.361 1.00 0.57 N ATOM 394 CA SER A 25 -21.083 78.513 23.592 1.00 0.85 C ATOM 395 C SER A 25 -22.356 79.332 23.327 1.00 0.96 C ATOM 396 O SER A 25 -23.127 79.602 24.228 1.00 1.16 O ATOM 397 CB SER A 25 -19.928 79.455 23.959 1.00 1.15 C ATOM 398 OG SER A 25 -20.408 80.516 24.778 1.00 1.71 O ATOM 399 H SER A 25 -20.274 78.223 21.635 1.00 0.46 H ATOM 400 HA SER A 25 -21.258 77.822 24.403 1.00 0.91 H ATOM 401 HB2 SER A 25 -19.174 78.908 24.499 1.00 1.47 H ATOM 402 HB3 SER A 25 -19.494 79.856 23.052 1.00 1.73 H ATOM 403 HG SER A 25 -20.202 81.346 24.340 1.00 2.02 H ATOM 404 N LYS A 26 -22.576 79.729 22.096 1.00 1.07 N ATOM 405 CA LYS A 26 -23.791 80.532 21.764 1.00 1.40 C ATOM 406 C LYS A 26 -25.012 79.616 21.726 1.00 1.27 C ATOM 407 O LYS A 26 -25.958 79.801 22.468 1.00 1.42 O ATOM 408 CB LYS A 26 -23.611 81.198 20.400 1.00 1.74 C ATOM 409 CG LYS A 26 -22.997 82.597 20.578 1.00 2.12 C ATOM 410 CD LYS A 26 -21.657 82.682 19.833 1.00 2.31 C ATOM 411 CE LYS A 26 -20.622 83.389 20.712 1.00 2.62 C ATOM 412 NZ LYS A 26 -19.298 83.387 20.027 1.00 2.76 N ATOM 413 H LYS A 26 -21.941 79.500 21.389 1.00 1.07 H ATOM 414 HA LYS A 26 -23.936 81.292 22.514 1.00 1.58 H ATOM 415 HB2 LYS A 26 -22.963 80.589 19.788 1.00 1.95 H ATOM 416 HB3 LYS A 26 -24.572 81.291 19.923 1.00 2.05 H ATOM 417 HG2 LYS A 26 -23.675 83.336 20.177 1.00 2.50 H ATOM 418 HG3 LYS A 26 -22.837 82.793 21.629 1.00 2.47 H ATOM 419 HD2 LYS A 26 -21.309 81.686 19.598 1.00 2.74 H ATOM 420 HD3 LYS A 26 -21.790 83.241 18.919 1.00 2.57 H ATOM 421 HE2 LYS A 26 -20.934 84.407 20.889 1.00 2.91 H ATOM 422 HE3 LYS A 26 -20.539 82.869 21.656 1.00 3.14 H ATOM 423 HZ1 LYS A 26 -19.439 83.455 18.998 1.00 2.74 H ATOM 424 HZ2 LYS A 26 -18.737 84.198 20.354 1.00 3.19 H ATOM 425 HZ3 LYS A 26 -18.793 82.507 20.251 1.00 3.06 H ATOM 426 N THR A 27 -24.994 78.622 20.871 1.00 1.09 N ATOM 427 CA THR A 27 -26.149 77.678 20.786 1.00 1.16 C ATOM 428 C THR A 27 -26.337 77.005 22.149 1.00 0.87 C ATOM 429 O THR A 27 -27.431 76.938 22.676 1.00 0.93 O ATOM 430 CB THR A 27 -25.862 76.622 19.716 1.00 1.38 C ATOM 431 OG1 THR A 27 -25.586 77.267 18.481 1.00 1.95 O ATOM 432 CG2 THR A 27 -27.077 75.709 19.556 1.00 1.87 C ATOM 433 H THR A 27 -24.215 78.492 20.291 1.00 1.02 H ATOM 434 HA THR A 27 -27.044 78.225 20.527 1.00 1.43 H ATOM 435 HB THR A 27 -25.010 76.033 20.012 1.00 1.28 H ATOM 436 HG1 THR A 27 -26.300 77.883 18.301 1.00 2.15 H ATOM 437 HG21 THR A 27 -27.437 75.413 20.530 1.00 2.26 H ATOM 438 HG22 THR A 27 -27.858 76.238 19.029 1.00 2.20 H ATOM 439 HG23 THR A 27 -26.796 74.830 18.994 1.00 2.33 H ATOM 440 N MET A 28 -25.263 76.535 22.729 1.00 0.77 N ATOM 441 CA MET A 28 -25.327 75.902 24.048 1.00 0.77 C ATOM 442 C MET A 28 -24.819 76.938 25.063 1.00 0.98 C ATOM 443 O MET A 28 -23.635 77.169 25.194 1.00 1.84 O ATOM 444 CB MET A 28 -24.431 74.656 24.013 1.00 1.10 C ATOM 445 CG MET A 28 -24.372 74.020 25.398 1.00 2.23 C ATOM 446 SD MET A 28 -25.417 72.538 25.459 1.00 3.11 S ATOM 447 CE MET A 28 -26.936 73.278 24.803 1.00 3.70 C ATOM 448 H MET A 28 -24.399 76.617 22.302 1.00 0.87 H ATOM 449 HA MET A 28 -26.344 75.627 24.278 1.00 0.97 H ATOM 450 HB2 MET A 28 -24.828 73.942 23.297 1.00 1.31 H ATOM 451 HB3 MET A 28 -23.438 74.938 23.709 1.00 1.41 H ATOM 452 HG2 MET A 28 -23.352 73.752 25.612 1.00 2.78 H ATOM 453 HG3 MET A 28 -24.714 74.733 26.127 1.00 2.70 H ATOM 454 HE1 MET A 28 -26.733 73.728 23.843 1.00 3.85 H ATOM 455 HE2 MET A 28 -27.689 72.512 24.687 1.00 4.13 H ATOM 456 HE3 MET A 28 -27.288 74.038 25.487 1.00 4.04 H ATOM 457 N ASN A 29 -25.724 77.592 25.741 1.00 1.24 N ATOM 458 CA ASN A 29 -25.347 78.662 26.723 1.00 1.66 C ATOM 459 C ASN A 29 -24.253 78.199 27.698 1.00 1.19 C ATOM 460 O ASN A 29 -24.538 77.670 28.752 1.00 1.60 O ATOM 461 CB ASN A 29 -26.588 79.062 27.522 1.00 2.67 C ATOM 462 CG ASN A 29 -26.309 80.357 28.287 1.00 3.49 C ATOM 463 OD1 ASN A 29 -25.314 80.467 28.977 1.00 4.02 O ATOM 464 ND2 ASN A 29 -27.151 81.349 28.195 1.00 4.12 N ATOM 465 H ASN A 29 -26.670 77.402 25.578 1.00 1.79 H ATOM 466 HA ASN A 29 -24.991 79.525 26.181 1.00 2.02 H ATOM 467 HB2 ASN A 29 -27.417 79.214 26.846 1.00 3.04 H ATOM 468 HB3 ASN A 29 -26.833 78.278 28.223 1.00 3.00 H ATOM 469 HD21 ASN A 29 -27.953 81.261 27.639 1.00 4.14 H ATOM 470 HD22 ASN A 29 -26.981 82.183 28.681 1.00 4.84 H ATOM 471 N ILE A 30 -23.008 78.436 27.361 1.00 0.79 N ATOM 472 CA ILE A 30 -21.873 78.053 28.269 1.00 0.85 C ATOM 473 C ILE A 30 -20.587 78.720 27.767 1.00 0.62 C ATOM 474 O ILE A 30 -20.360 78.820 26.579 1.00 1.11 O ATOM 475 CB ILE A 30 -21.665 76.527 28.307 1.00 1.63 C ATOM 476 CG1 ILE A 30 -21.962 75.905 26.939 1.00 2.05 C ATOM 477 CG2 ILE A 30 -22.582 75.901 29.358 1.00 2.22 C ATOM 478 CD1 ILE A 30 -21.239 74.566 26.826 1.00 2.71 C ATOM 479 H ILE A 30 -22.816 78.890 26.513 1.00 1.02 H ATOM 480 HA ILE A 30 -22.087 78.409 29.268 1.00 1.29 H ATOM 481 HB ILE A 30 -20.637 76.322 28.574 1.00 1.93 H ATOM 482 HG12 ILE A 30 -23.027 75.751 26.838 1.00 2.51 H ATOM 483 HG13 ILE A 30 -21.617 76.566 26.159 1.00 2.29 H ATOM 484 HG21 ILE A 30 -22.817 76.635 30.114 1.00 2.74 H ATOM 485 HG22 ILE A 30 -23.495 75.567 28.886 1.00 2.62 H ATOM 486 HG23 ILE A 30 -22.084 75.059 29.815 1.00 2.37 H ATOM 487 HD11 ILE A 30 -20.364 74.576 27.461 1.00 3.35 H ATOM 488 HD12 ILE A 30 -21.901 73.771 27.138 1.00 3.05 H ATOM 489 HD13 ILE A 30 -20.940 74.405 25.803 1.00 2.88 H ATOM 490 N ALA A 31 -19.741 79.172 28.664 1.00 0.82 N ATOM 491 CA ALA A 31 -18.462 79.833 28.240 1.00 0.71 C ATOM 492 C ALA A 31 -17.621 78.834 27.444 1.00 0.60 C ATOM 493 O ALA A 31 -17.856 77.651 27.514 1.00 0.61 O ATOM 494 CB ALA A 31 -17.684 80.283 29.478 1.00 0.86 C ATOM 495 H ALA A 31 -19.946 79.072 29.616 1.00 1.39 H ATOM 496 HA ALA A 31 -18.686 80.690 27.621 1.00 0.89 H ATOM 497 HB1 ALA A 31 -18.375 80.645 30.225 1.00 1.32 H ATOM 498 HB2 ALA A 31 -17.127 79.448 29.877 1.00 1.25 H ATOM 499 HB3 ALA A 31 -17.001 81.074 29.206 1.00 1.48 H ATOM 500 N ARG A 32 -16.658 79.295 26.677 1.00 0.58 N ATOM 501 CA ARG A 32 -15.827 78.359 25.869 1.00 0.55 C ATOM 502 C ARG A 32 -15.002 77.439 26.779 1.00 0.44 C ATOM 503 O ARG A 32 -14.890 76.251 26.526 1.00 0.44 O ATOM 504 CB ARG A 32 -14.909 79.168 24.951 1.00 0.67 C ATOM 505 CG ARG A 32 -14.002 80.086 25.775 1.00 0.73 C ATOM 506 CD ARG A 32 -12.663 79.392 26.048 1.00 1.23 C ATOM 507 NE ARG A 32 -11.549 80.228 25.501 1.00 1.54 N ATOM 508 CZ ARG A 32 -10.296 80.021 25.856 1.00 2.09 C ATOM 509 NH1 ARG A 32 -9.970 79.083 26.716 1.00 2.69 N ATOM 510 NH2 ARG A 32 -9.358 80.769 25.343 1.00 2.64 N ATOM 511 H ARG A 32 -16.490 80.256 26.620 1.00 0.66 H ATOM 512 HA ARG A 32 -16.480 77.753 25.263 1.00 0.58 H ATOM 513 HB2 ARG A 32 -14.301 78.494 24.365 1.00 0.89 H ATOM 514 HB3 ARG A 32 -15.517 79.771 24.294 1.00 0.91 H ATOM 515 HG2 ARG A 32 -13.825 80.998 25.222 1.00 1.06 H ATOM 516 HG3 ARG A 32 -14.482 80.325 26.710 1.00 1.10 H ATOM 517 HD2 ARG A 32 -12.532 79.272 27.112 1.00 1.61 H ATOM 518 HD3 ARG A 32 -12.648 78.423 25.572 1.00 1.83 H ATOM 519 HE ARG A 32 -11.755 80.941 24.861 1.00 1.94 H ATOM 520 HH11 ARG A 32 -10.673 78.502 27.123 1.00 2.72 H ATOM 521 HH12 ARG A 32 -9.012 78.951 26.965 1.00 3.41 H ATOM 522 HH21 ARG A 32 -9.593 81.489 24.689 1.00 2.80 H ATOM 523 HH22 ARG A 32 -8.403 80.623 25.603 1.00 3.19 H ATOM 524 N SER A 33 -14.440 77.964 27.839 1.00 0.43 N ATOM 525 CA SER A 33 -13.639 77.097 28.758 1.00 0.39 C ATOM 526 C SER A 33 -14.605 76.191 29.521 1.00 0.37 C ATOM 527 O SER A 33 -14.317 75.041 29.801 1.00 0.35 O ATOM 528 CB SER A 33 -12.841 77.953 29.755 1.00 0.47 C ATOM 529 OG SER A 33 -12.801 79.304 29.314 1.00 1.13 O ATOM 530 H SER A 33 -14.556 78.915 28.034 1.00 0.50 H ATOM 531 HA SER A 33 -12.959 76.488 28.171 1.00 0.38 H ATOM 532 HB2 SER A 33 -13.310 77.916 30.724 1.00 1.28 H ATOM 533 HB3 SER A 33 -11.835 77.562 29.834 1.00 1.21 H ATOM 534 HG SER A 33 -13.000 79.867 30.066 1.00 1.56 H ATOM 535 N THR A 34 -15.763 76.709 29.843 1.00 0.44 N ATOM 536 CA THR A 34 -16.783 75.907 30.575 1.00 0.49 C ATOM 537 C THR A 34 -17.174 74.706 29.718 1.00 0.49 C ATOM 538 O THR A 34 -17.451 73.623 30.218 1.00 0.53 O ATOM 539 CB THR A 34 -18.016 76.779 30.822 1.00 0.59 C ATOM 540 OG1 THR A 34 -17.627 77.960 31.511 1.00 0.62 O ATOM 541 CG2 THR A 34 -19.035 76.008 31.663 1.00 0.67 C ATOM 542 H THR A 34 -15.965 77.632 29.590 1.00 0.48 H ATOM 543 HA THR A 34 -16.379 75.570 31.517 1.00 0.48 H ATOM 544 HB THR A 34 -18.462 77.045 29.874 1.00 0.61 H ATOM 545 HG1 THR A 34 -18.305 78.624 31.367 1.00 1.06 H ATOM 546 HG21 THR A 34 -18.524 75.484 32.457 1.00 0.97 H ATOM 547 HG22 THR A 34 -19.748 76.699 32.088 1.00 1.39 H ATOM 548 HG23 THR A 34 -19.553 75.296 31.038 1.00 1.29 H ATOM 549 N VAL A 35 -17.178 74.884 28.420 1.00 0.49 N ATOM 550 CA VAL A 35 -17.530 73.759 27.525 1.00 0.51 C ATOM 551 C VAL A 35 -16.445 72.703 27.652 1.00 0.40 C ATOM 552 O VAL A 35 -16.723 71.536 27.573 1.00 0.44 O ATOM 553 CB VAL A 35 -17.616 74.217 26.063 1.00 0.61 C ATOM 554 CG1 VAL A 35 -18.332 73.141 25.245 1.00 0.58 C ATOM 555 CG2 VAL A 35 -18.394 75.530 25.949 1.00 0.94 C ATOM 556 H VAL A 35 -16.933 75.749 28.041 1.00 0.53 H ATOM 557 HA VAL A 35 -18.477 73.340 27.830 1.00 0.58 H ATOM 558 HB VAL A 35 -16.617 74.356 25.678 1.00 0.82 H ATOM 559 HG11 VAL A 35 -18.236 72.178 25.747 1.00 1.10 H ATOM 560 HG12 VAL A 35 -19.376 73.393 25.150 1.00 1.21 H ATOM 561 HG13 VAL A 35 -17.881 73.084 24.258 1.00 1.21 H ATOM 562 HG21 VAL A 35 -18.871 75.751 26.891 1.00 1.29 H ATOM 563 HG22 VAL A 35 -17.711 76.323 25.696 1.00 1.56 H ATOM 564 HG23 VAL A 35 -19.144 75.445 25.175 1.00 1.46 H ATOM 565 N TYR A 36 -15.207 73.110 27.850 1.00 0.35 N ATOM 566 CA TYR A 36 -14.105 72.101 27.980 1.00 0.32 C ATOM 567 C TYR A 36 -14.144 71.415 29.334 1.00 0.37 C ATOM 568 O TYR A 36 -13.558 70.362 29.504 1.00 0.47 O ATOM 569 CB TYR A 36 -12.744 72.738 27.687 1.00 0.32 C ATOM 570 CG TYR A 36 -12.621 72.920 26.186 1.00 0.31 C ATOM 571 CD1 TYR A 36 -12.937 71.863 25.309 1.00 1.26 C ATOM 572 CD2 TYR A 36 -12.219 74.151 25.671 1.00 1.15 C ATOM 573 CE1 TYR A 36 -12.854 72.038 23.931 1.00 1.27 C ATOM 574 CE2 TYR A 36 -12.129 74.334 24.287 1.00 1.16 C ATOM 575 CZ TYR A 36 -12.450 73.279 23.413 1.00 0.39 C ATOM 576 OH TYR A 36 -12.351 73.462 22.049 1.00 0.45 O ATOM 577 H TYR A 36 -15.009 74.073 27.908 1.00 0.40 H ATOM 578 HA TYR A 36 -14.275 71.333 27.260 1.00 0.37 H ATOM 579 HB2 TYR A 36 -12.676 73.700 28.176 1.00 0.34 H ATOM 580 HB3 TYR A 36 -11.954 72.092 28.038 1.00 0.37 H ATOM 581 HD1 TYR A 36 -13.243 70.908 25.706 1.00 2.13 H ATOM 582 HD2 TYR A 36 -11.977 74.961 26.343 1.00 2.02 H ATOM 583 HE1 TYR A 36 -13.125 71.217 23.269 1.00 2.16 H ATOM 584 HE2 TYR A 36 -11.821 75.290 23.894 1.00 2.05 H ATOM 585 HH TYR A 36 -12.700 74.331 21.840 1.00 0.92 H ATOM 586 N LYS A 37 -14.892 71.933 30.272 1.00 0.39 N ATOM 587 CA LYS A 37 -15.035 71.219 31.562 1.00 0.49 C ATOM 588 C LYS A 37 -15.846 69.957 31.253 1.00 0.56 C ATOM 589 O LYS A 37 -15.586 68.878 31.747 1.00 0.64 O ATOM 590 CB LYS A 37 -15.805 72.080 32.553 1.00 0.54 C ATOM 591 CG LYS A 37 -14.828 72.876 33.426 1.00 0.92 C ATOM 592 CD LYS A 37 -14.736 74.315 32.918 1.00 1.65 C ATOM 593 CE LYS A 37 -13.373 74.901 33.289 1.00 2.40 C ATOM 594 NZ LYS A 37 -12.326 74.327 32.397 1.00 3.11 N ATOM 595 H LYS A 37 -15.403 72.743 30.108 1.00 0.41 H ATOM 596 HA LYS A 37 -14.072 70.964 31.949 1.00 0.52 H ATOM 597 HB2 LYS A 37 -16.447 72.754 32.007 1.00 0.79 H ATOM 598 HB3 LYS A 37 -16.406 71.442 33.179 1.00 0.83 H ATOM 599 HG2 LYS A 37 -15.180 72.877 34.447 1.00 1.63 H ATOM 600 HG3 LYS A 37 -13.850 72.419 33.385 1.00 1.40 H ATOM 601 HD2 LYS A 37 -14.854 74.325 31.845 1.00 2.25 H ATOM 602 HD3 LYS A 37 -15.516 74.908 33.372 1.00 2.07 H ATOM 603 HE2 LYS A 37 -13.398 75.974 33.170 1.00 2.84 H ATOM 604 HE3 LYS A 37 -13.144 74.658 34.316 1.00 2.71 H ATOM 605 HZ1 LYS A 37 -12.720 74.182 31.447 1.00 3.17 H ATOM 606 HZ2 LYS A 37 -11.519 74.983 32.343 1.00 3.59 H ATOM 607 HZ3 LYS A 37 -12.006 73.415 32.780 1.00 3.57 H ATOM 608 N VAL A 38 -16.836 70.123 30.411 1.00 0.56 N ATOM 609 CA VAL A 38 -17.717 68.998 29.999 1.00 0.66 C ATOM 610 C VAL A 38 -16.984 68.049 29.011 1.00 0.65 C ATOM 611 O VAL A 38 -16.913 66.853 29.212 1.00 0.76 O ATOM 612 CB VAL A 38 -18.961 69.651 29.343 1.00 0.73 C ATOM 613 CG1 VAL A 38 -19.576 68.790 28.229 1.00 0.81 C ATOM 614 CG2 VAL A 38 -20.004 69.901 30.426 1.00 0.88 C ATOM 615 H VAL A 38 -17.011 71.021 30.045 1.00 0.52 H ATOM 616 HA VAL A 38 -18.020 68.453 30.870 1.00 0.75 H ATOM 617 HB VAL A 38 -18.668 70.601 28.921 1.00 0.87 H ATOM 618 HG11 VAL A 38 -19.364 67.748 28.417 1.00 1.43 H ATOM 619 HG12 VAL A 38 -20.643 68.944 28.201 1.00 1.19 H ATOM 620 HG13 VAL A 38 -19.143 69.085 27.279 1.00 1.28 H ATOM 621 HG21 VAL A 38 -20.233 68.972 30.926 1.00 1.22 H ATOM 622 HG22 VAL A 38 -19.607 70.608 31.140 1.00 1.32 H ATOM 623 HG23 VAL A 38 -20.900 70.304 29.978 1.00 1.52 H ATOM 624 N ILE A 39 -16.484 68.591 27.935 1.00 0.56 N ATOM 625 CA ILE A 39 -15.791 67.783 26.877 1.00 0.59 C ATOM 626 C ILE A 39 -14.658 66.979 27.506 1.00 0.68 C ATOM 627 O ILE A 39 -14.362 65.870 27.101 1.00 0.82 O ATOM 628 CB ILE A 39 -15.246 68.735 25.807 1.00 0.53 C ATOM 629 CG1 ILE A 39 -16.362 69.637 25.308 1.00 0.52 C ATOM 630 CG2 ILE A 39 -14.692 67.989 24.596 1.00 0.59 C ATOM 631 CD1 ILE A 39 -15.784 71.000 25.044 1.00 1.01 C ATOM 632 H ILE A 39 -16.584 69.537 27.809 1.00 0.50 H ATOM 633 HA ILE A 39 -16.494 67.122 26.424 1.00 0.65 H ATOM 634 HB ILE A 39 -14.472 69.333 26.233 1.00 0.58 H ATOM 635 HG12 ILE A 39 -16.765 69.238 24.391 1.00 1.17 H ATOM 636 HG13 ILE A 39 -17.142 69.712 26.039 1.00 1.19 H ATOM 637 HG21 ILE A 39 -15.308 67.128 24.391 1.00 1.06 H ATOM 638 HG22 ILE A 39 -14.710 68.664 23.735 1.00 1.16 H ATOM 639 HG23 ILE A 39 -13.679 67.679 24.791 1.00 1.24 H ATOM 640 HD11 ILE A 39 -15.291 71.360 25.915 1.00 1.62 H ATOM 641 HD12 ILE A 39 -15.078 70.936 24.230 1.00 1.66 H ATOM 642 HD13 ILE A 39 -16.569 71.663 24.785 1.00 1.61 H ATOM 643 N ASN A 40 -14.046 67.533 28.511 1.00 0.64 N ATOM 644 CA ASN A 40 -12.945 66.823 29.215 1.00 0.76 C ATOM 645 C ASN A 40 -13.539 65.647 29.985 1.00 0.87 C ATOM 646 O ASN A 40 -12.973 64.571 30.031 1.00 0.99 O ATOM 647 CB ASN A 40 -12.283 67.780 30.203 1.00 0.75 C ATOM 648 CG ASN A 40 -10.998 67.152 30.744 1.00 1.27 C ATOM 649 OD1 ASN A 40 -10.385 66.334 30.087 1.00 1.71 O ATOM 650 ND2 ASN A 40 -10.560 67.503 31.922 1.00 2.06 N ATOM 651 H ASN A 40 -14.325 68.418 28.815 1.00 0.55 H ATOM 652 HA ASN A 40 -12.217 66.469 28.500 1.00 0.81 H ATOM 653 HB2 ASN A 40 -12.051 68.710 29.704 1.00 1.03 H ATOM 654 HB3 ASN A 40 -12.964 67.967 31.021 1.00 1.01 H ATOM 655 HD21 ASN A 40 -11.054 68.163 32.452 1.00 2.39 H ATOM 656 HD22 ASN A 40 -9.738 67.106 32.277 1.00 2.59 H ATOM 657 N GLU A 41 -14.681 65.852 30.592 1.00 0.00 N ATOM 658 CA GLU A 41 -15.330 64.755 31.369 1.00 0.00 C ATOM 659 C GLU A 41 -15.675 63.597 30.430 1.00 0.00 C ATOM 660 O GLU A 41 -15.666 62.446 30.822 1.00 0.00 O ATOM 661 CB GLU A 41 -16.608 65.280 32.024 1.00 0.00 C ATOM 662 CG GLU A 41 -16.244 66.216 33.178 1.00 0.00 C ATOM 663 CD GLU A 41 -17.493 66.973 33.634 1.00 0.00 C ATOM 664 OE1 GLU A 41 -18.302 67.307 32.785 1.00 0.00 O ATOM 665 OE2 GLU A 41 -17.617 67.207 34.825 1.00 0.00 O ATOM 666 H GLU A 41 -15.114 66.736 30.536 1.00 0.00 H ATOM 667 HA GLU A 41 -14.652 64.407 32.134 1.00 0.00 H ATOM 668 HB2 GLU A 41 -17.193 65.818 31.292 1.00 0.00 H ATOM 669 HB3 GLU A 41 -17.183 64.449 32.405 1.00 0.00 H ATOM 670 HG2 GLU A 41 -15.853 65.636 34.001 1.00 0.00 H ATOM 671 HG3 GLU A 41 -15.498 66.922 32.847 1.00 0.00 H ATOM 672 N SER A 42 -15.979 63.897 29.191 1.00 0.00 N ATOM 673 CA SER A 42 -16.327 62.821 28.211 1.00 0.00 C ATOM 674 C SER A 42 -17.548 62.041 28.708 1.00 0.00 C ATOM 675 O SER A 42 -17.708 60.872 28.413 1.00 0.00 O ATOM 676 CB SER A 42 -15.141 61.867 28.054 1.00 0.00 C ATOM 677 OG SER A 42 -13.930 62.606 28.131 1.00 0.00 O ATOM 678 H SER A 42 -15.977 64.834 28.903 1.00 0.00 H ATOM 679 HA SER A 42 -16.554 63.269 27.255 1.00 0.00 H ATOM 680 HB2 SER A 42 -15.160 61.134 28.843 1.00 0.00 H ATOM 681 HB3 SER A 42 -15.209 61.364 27.098 1.00 0.00 H ATOM 682 HG SER A 42 -13.362 62.321 27.412 1.00 0.00 H ATOM 683 N ASN A 43 -18.407 62.682 29.460 1.00 0.00 N ATOM 684 CA ASN A 43 -19.620 61.986 29.981 1.00 0.00 C ATOM 685 C ASN A 43 -20.675 61.902 28.877 1.00 0.00 C ATOM 686 O ASN A 43 -21.185 60.816 28.653 1.00 0.00 O ATOM 687 CB ASN A 43 -20.186 62.767 31.170 1.00 0.00 C ATOM 688 CG ASN A 43 -20.423 64.222 30.760 1.00 0.00 C ATOM 689 OD1 ASN A 43 -19.562 65.061 30.931 1.00 0.00 O ATOM 690 ND2 ASN A 43 -21.563 64.557 30.221 1.00 0.00 N ATOM 691 OXT ASN A 43 -20.957 62.925 28.274 1.00 0.00 O ATOM 692 H ASN A 43 -18.253 63.624 29.682 1.00 0.00 H ATOM 693 HA ASN A 43 -19.353 60.989 30.300 1.00 0.00 H ATOM 694 HB2 ASN A 43 -21.120 62.322 31.480 1.00 0.00 H ATOM 695 HB3 ASN A 43 -19.483 62.736 31.988 1.00 0.00 H ATOM 696 HD21 ASN A 43 -22.257 63.880 30.082 1.00 0.00 H ATOM 697 HD22 ASN A 43 -21.724 65.486 29.954 1.00 0.00 H TER 698 ASN A 43 MASTER 70 0 0 3 0 0 0 6 697 1 0 4 END