USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 355 hydrogens (0 hets) 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 HIS : no HE2:sc= -5.16! X(o=-4!,f=-4.2) USER MOD Set 1.2: A 27 THR OG1 : rot 161:sc= 1.12 USER MOD Set 2.1: A 14 MET CE :methyl -136:sc= -0.408 (180deg=-0.757) USER MOD Set 2.2: A 28 MET CE :methyl -179:sc= -5.1! (180deg=-5.18!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.141 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 155:sc= -0.296 (180deg=-1.41!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -2.16 K(o=-2.2,f=-1.3) USER MOD Single : A 16 GLN : amide:sc= -0.0861 K(o=-0.086,f=-1.6!) USER MOD Single : A 17 GLN : amide:sc= -0.859 K(o=-0.86,f=-5!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 71:sc= 1.21 USER MOD Single : A 26 LYS NZ :NH3+ -109:sc= -0.204 (180deg=-1.69) USER MOD Single : A 29 ASN : amide:sc= -0.646 K(o=-0.65,f=-3.1!) USER MOD Single : A 33 SER OG : rot 180:sc= -1.05 USER MOD Single : A 34 THR OG1 : rot -170:sc= -2.34! USER MOD Single : A 36 TYR OH : rot 20:sc= 0.18 USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= -0.0292 (180deg=-0.284) USER MOD Single : A 40 ASN : amide:sc= -0.0405 K(o=-0.04,f=-1.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.1!) USER MOD ----------------------------------------------------------------- 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 0 H1 GLY A 1 -28.713 56.941 40.196 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.871 58.020 39.190 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.449 58.388 39.698 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.547 55.882 38.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.306 57.375 37.928 1.00 0.00 H new 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 0 H ARG A 2 -29.484 55.849 35.806 1.00 0.00 H new ATOM 0 HA ARG A 2 -26.733 56.802 35.119 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -28.493 54.496 34.358 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -27.507 55.164 33.073 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -25.639 55.093 35.079 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -26.653 53.757 35.586 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -26.498 53.190 32.915 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -24.973 54.033 33.106 1.00 0.00 H new ATOM 0 HE ARG A 2 -25.007 52.242 35.288 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -25.368 51.992 31.777 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -24.691 50.361 31.723 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -24.157 50.177 35.169 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -24.017 49.352 33.613 1.00 0.00 H new 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 0 H LYS A 3 -29.767 56.171 33.145 1.00 0.00 H new ATOM 0 HA LYS A 3 -29.251 58.855 31.894 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -29.293 56.383 30.680 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -30.987 56.817 30.560 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -30.288 57.952 28.670 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -29.873 59.206 29.822 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -27.856 58.909 28.586 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -27.568 57.994 30.053 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -26.938 56.661 28.043 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.250 55.890 28.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -28.424 56.240 26.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -29.794 56.501 27.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -28.884 57.822 26.766 1.00 0.00 H new 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 0 H ARG A 4 -30.697 58.729 34.419 1.00 0.00 H new ATOM 0 HA ARG A 4 -33.554 58.807 33.569 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -32.041 58.646 36.185 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -33.666 59.303 36.190 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -34.646 57.272 35.572 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -33.257 56.758 34.636 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -33.521 55.436 36.765 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -31.979 56.265 36.683 1.00 0.00 H new ATOM 0 HE ARG A 4 -33.655 58.126 37.989 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -32.721 54.747 38.475 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -32.910 54.843 40.229 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -33.880 58.195 40.213 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -33.555 56.762 41.194 1.00 0.00 H new 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 0 H LYS A 5 -31.764 60.887 35.996 1.00 0.00 H new ATOM 0 HA LYS A 5 -32.899 63.236 34.502 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -33.831 62.780 36.813 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -32.211 62.927 37.465 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -33.057 65.123 37.734 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -32.155 65.256 36.237 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -34.546 64.438 35.208 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -35.136 65.217 36.663 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -34.359 67.343 36.015 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -33.055 66.691 35.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -34.826 67.578 33.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -34.693 65.901 33.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -35.957 66.533 34.364 1.00 0.00 H new 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 0 H ILE A 6 -30.854 63.185 33.111 1.00 0.00 H new ATOM 0 HA ILE A 6 -28.764 64.754 34.483 1.00 0.00 H new ATOM 0 HB ILE A 6 -26.970 63.203 33.664 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -28.109 60.733 33.416 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -29.404 61.704 32.745 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -27.280 61.515 35.457 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -27.735 63.140 36.023 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -28.997 61.965 35.583 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -27.807 61.028 30.970 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -27.794 62.795 31.180 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -26.479 61.809 31.861 1.00 0.00 H new 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 0 H ASP A 7 -27.511 66.018 32.925 1.00 0.00 H new ATOM 0 HA ASP A 7 -28.771 66.000 30.220 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -28.335 68.076 31.859 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -26.722 68.003 31.179 1.00 0.00 H new 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 0 H ARG A 8 -27.306 66.132 28.261 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.506 65.785 28.439 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -24.378 63.329 27.814 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.844 63.620 29.478 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -27.244 63.326 28.893 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -26.833 63.136 27.200 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.166 61.258 28.466 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.644 61.167 29.404 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.325 59.999 26.821 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.633 61.966 28.621 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -29.952 61.625 27.496 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -28.007 59.629 25.398 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -29.603 60.323 25.704 1.00 0.00 H new 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 0 H ASP A 9 -27.613 64.980 26.721 1.00 0.98 H new ATOM 0 HA ASP A 9 -26.342 64.777 24.130 1.00 0.99 H new ATOM 0 HB2 ASP A 9 -29.139 65.016 25.243 1.00 1.17 H new ATOM 0 HB3 ASP A 9 -28.912 65.386 23.545 1.00 1.17 H new 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 0 H ALA A 10 -27.231 67.540 26.199 1.00 0.72 H new ATOM 0 HA ALA A 10 -27.688 69.405 24.040 1.00 0.70 H new ATOM 0 HB1 ALA A 10 -27.334 71.082 25.839 1.00 0.83 H new ATOM 0 HB2 ALA A 10 -28.410 69.775 26.388 1.00 0.83 H new ATOM 0 HB3 ALA A 10 -26.708 69.803 26.907 1.00 0.83 H new 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 0 H VAL A 11 -24.797 69.234 26.321 1.00 0.52 H new ATOM 0 HA VAL A 11 -23.179 70.850 24.619 1.00 0.53 H new ATOM 0 HB VAL A 11 -22.337 68.687 26.595 1.00 0.67 H new ATOM 0 HG11 VAL A 11 -20.299 70.090 26.815 1.00 0.80 H new ATOM 0 HG12 VAL A 11 -20.512 69.530 25.139 1.00 0.80 H new ATOM 0 HG13 VAL A 11 -20.932 71.202 25.579 1.00 0.80 H new ATOM 0 HG21 VAL A 11 -22.293 70.540 28.248 1.00 0.77 H new ATOM 0 HG22 VAL A 11 -22.931 71.654 27.015 1.00 0.77 H new ATOM 0 HG23 VAL A 11 -23.932 70.302 27.598 1.00 0.77 H new 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 0 H LEU A 12 -23.614 67.232 24.833 1.00 0.58 H new ATOM 0 HA LEU A 12 -21.505 66.609 23.010 1.00 0.70 H new ATOM 0 HB2 LEU A 12 -22.966 65.097 24.588 1.00 0.96 H new ATOM 0 HB3 LEU A 12 -24.109 65.063 23.260 1.00 0.96 H new ATOM 0 HG LEU A 12 -21.822 64.543 21.869 1.00 1.41 H new ATOM 0 HD11 LEU A 12 -20.436 62.982 23.208 1.00 2.00 H new ATOM 0 HD12 LEU A 12 -20.425 64.614 23.917 1.00 2.00 H new ATOM 0 HD13 LEU A 12 -21.426 63.335 24.644 1.00 2.00 H new ATOM 0 HD21 LEU A 12 -22.468 62.150 22.016 1.00 1.95 H new ATOM 0 HD22 LEU A 12 -23.456 62.505 23.453 1.00 1.95 H new ATOM 0 HD23 LEU A 12 -23.905 63.191 21.873 1.00 1.95 H new 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 0 H ASN A 13 -24.845 67.874 22.492 1.00 0.53 H new ATOM 0 HA ASN A 13 -24.943 67.046 19.712 1.00 0.61 H new ATOM 0 HB2 ASN A 13 -26.495 68.783 21.595 1.00 0.76 H new ATOM 0 HB3 ASN A 13 -26.638 69.185 19.895 1.00 0.76 H new ATOM 0 HD21 ASN A 13 -27.625 65.220 20.657 1.00 1.62 H new ATOM 0 HD22 ASN A 13 -26.082 65.866 21.224 1.00 1.62 H new 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 0 H MET A 14 -23.504 69.834 21.485 1.00 0.48 H new ATOM 0 HA MET A 14 -23.363 71.541 19.173 1.00 0.62 H new ATOM 0 HB2 MET A 14 -21.639 71.396 21.702 1.00 0.86 H new ATOM 0 HB3 MET A 14 -21.738 72.772 20.621 1.00 0.86 H new ATOM 0 HG2 MET A 14 -24.139 71.587 22.104 1.00 1.23 H new ATOM 0 HG3 MET A 14 -23.231 72.977 22.664 1.00 1.23 H new ATOM 0 HE1 MET A 14 -26.582 72.555 19.926 1.00 2.86 H new ATOM 0 HE2 MET A 14 -25.929 71.674 21.329 1.00 2.86 H new ATOM 0 HE3 MET A 14 -26.734 73.245 21.559 1.00 2.86 H new 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 0 H TRP A 15 -20.869 69.370 20.777 1.00 0.44 H new ATOM 0 HA TRP A 15 -18.904 70.019 18.767 1.00 0.44 H new ATOM 0 HB2 TRP A 15 -19.185 67.713 20.787 1.00 0.53 H new ATOM 0 HB3 TRP A 15 -17.729 67.999 19.855 1.00 0.53 H new ATOM 0 HD1 TRP A 15 -19.533 69.077 22.897 1.00 0.49 H new ATOM 0 HE1 TRP A 15 -18.294 71.024 24.070 1.00 0.50 H new ATOM 0 HE3 TRP A 15 -16.181 70.175 19.253 1.00 0.41 H new ATOM 0 HZ2 TRP A 15 -16.115 72.846 23.407 1.00 0.54 H new ATOM 0 HZ3 TRP A 15 -14.533 71.981 19.546 1.00 0.49 H new ATOM 0 HH2 TRP A 15 -14.506 73.325 21.609 1.00 0.54 H new 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 0 H GLN A 16 -21.250 67.288 19.172 1.00 0.43 H new ATOM 0 HA GLN A 16 -20.011 65.685 17.109 1.00 0.53 H new ATOM 0 HB2 GLN A 16 -22.858 65.722 18.241 1.00 0.65 H new ATOM 0 HB3 GLN A 16 -22.135 64.398 17.348 1.00 0.65 H new ATOM 0 HG2 GLN A 16 -20.850 65.509 19.892 1.00 0.67 H new ATOM 0 HG3 GLN A 16 -22.055 64.238 19.952 1.00 0.67 H new ATOM 0 HE21 GLN A 16 -19.070 64.140 20.576 1.00 1.72 H new ATOM 0 HE22 GLN A 16 -18.444 62.854 19.539 1.00 1.72 H new 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 0 H GLN A 17 -21.819 68.660 16.821 1.00 0.54 H new ATOM 0 HA GLN A 17 -22.795 67.788 14.136 1.00 0.60 H new ATOM 0 HB2 GLN A 17 -23.267 70.320 15.794 1.00 0.62 H new ATOM 0 HB3 GLN A 17 -24.021 69.981 14.249 1.00 0.62 H new ATOM 0 HG2 GLN A 17 -24.234 68.013 16.568 1.00 0.64 H new ATOM 0 HG3 GLN A 17 -25.350 69.356 16.419 1.00 0.64 H new ATOM 0 HE21 GLN A 17 -27.141 67.823 15.993 1.00 1.78 H new ATOM 0 HE22 GLN A 17 -27.279 67.045 14.413 1.00 1.78 H new 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 0 H GLY A 18 -19.861 68.985 15.362 1.00 0.55 H new ATOM 0 HA2 GLY A 18 -18.110 69.780 14.016 1.00 0.58 H new ATOM 0 HA3 GLY A 18 -19.224 70.118 12.706 1.00 0.58 H new 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 0 H LEU A 19 -18.601 71.260 16.153 1.00 0.63 H new ATOM 0 HA LEU A 19 -19.115 74.030 15.108 1.00 0.60 H new ATOM 0 HB2 LEU A 19 -19.917 72.611 17.668 1.00 0.72 H new ATOM 0 HB3 LEU A 19 -19.743 74.355 17.643 1.00 0.72 H new ATOM 0 HG LEU A 19 -21.389 74.491 15.764 1.00 0.73 H new ATOM 0 HD11 LEU A 19 -22.679 72.499 15.145 1.00 1.18 H new ATOM 0 HD12 LEU A 19 -20.953 72.287 14.765 1.00 1.18 H new ATOM 0 HD13 LEU A 19 -21.651 71.497 16.198 1.00 1.18 H new ATOM 0 HD21 LEU A 19 -23.348 73.832 17.160 1.00 1.33 H new ATOM 0 HD22 LEU A 19 -22.280 72.848 18.189 1.00 1.33 H new ATOM 0 HD23 LEU A 19 -22.101 74.618 18.157 1.00 1.33 H new 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 0 H GLY A 20 -18.251 75.518 17.324 1.00 0.49 H new ATOM 0 HA2 GLY A 20 -15.632 74.468 18.174 1.00 0.53 H new ATOM 0 HA3 GLY A 20 -15.541 75.767 17.001 1.00 0.53 H new 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 0 H ALA A 21 -15.653 75.081 20.335 1.00 0.55 H new ATOM 0 HA ALA A 21 -16.592 76.262 22.137 1.00 0.59 H new ATOM 0 HB1 ALA A 21 -14.872 78.074 22.592 1.00 0.71 H new ATOM 0 HB2 ALA A 21 -14.119 76.604 21.931 1.00 0.71 H new ATOM 0 HB3 ALA A 21 -14.396 78.012 20.879 1.00 0.71 H new 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 0 H SER A 22 -15.842 79.134 19.952 1.00 0.53 H new ATOM 0 HA SER A 22 -17.650 80.868 21.151 1.00 0.56 H new ATOM 0 HB2 SER A 22 -16.669 80.501 18.297 1.00 0.82 H new ATOM 0 HB3 SER A 22 -17.838 81.757 18.653 1.00 0.82 H new ATOM 0 HG SER A 22 -15.643 82.513 18.873 1.00 1.56 H new 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 0 H HIS A 23 -18.468 78.870 18.149 1.00 0.51 H new ATOM 0 HA HIS A 23 -21.276 79.521 18.361 1.00 0.64 H new ATOM 0 HB2 HIS A 23 -20.142 78.776 16.266 1.00 0.88 H new ATOM 0 HB3 HIS A 23 -19.817 77.213 16.988 1.00 0.88 H new ATOM 0 HD1 HIS A 23 -22.129 78.691 14.746 1.00 1.31 H new ATOM 0 HD2 HIS A 23 -22.583 76.145 18.066 1.00 1.33 H new ATOM 0 HE1 HIS A 23 -24.409 77.559 14.531 1.00 1.64 H new 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 0 H ILE A 24 -19.180 76.842 19.670 1.00 0.43 H new ATOM 0 HA ILE A 24 -21.413 75.218 20.557 1.00 0.52 H new ATOM 0 HB ILE A 24 -18.599 75.435 21.688 1.00 0.52 H new ATOM 0 HG12 ILE A 24 -19.647 73.678 19.401 1.00 0.91 H new ATOM 0 HG13 ILE A 24 -18.722 75.145 19.146 1.00 0.91 H new ATOM 0 HG21 ILE A 24 -18.897 73.029 22.219 1.00 0.80 H new ATOM 0 HG22 ILE A 24 -20.127 74.029 23.028 1.00 0.80 H new ATOM 0 HG23 ILE A 24 -20.555 73.094 21.576 1.00 0.80 H new ATOM 0 HD11 ILE A 24 -17.251 73.168 19.133 1.00 1.39 H new ATOM 0 HD12 ILE A 24 -16.868 74.230 20.509 1.00 1.39 H new ATOM 0 HD13 ILE A 24 -17.807 72.740 20.768 1.00 1.39 H new 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 0 H SER A 25 -20.255 78.318 21.643 1.00 0.57 H new ATOM 0 HA SER A 25 -21.267 77.821 24.413 1.00 0.85 H new ATOM 0 HB2 SER A 25 -19.150 78.902 24.485 1.00 1.15 H new ATOM 0 HB3 SER A 25 -19.476 79.859 23.054 1.00 1.15 H new ATOM 0 HG SER A 25 -20.638 80.167 25.664 1.00 1.71 H new 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 0 H LYS A 26 -21.963 79.530 21.306 1.00 1.07 H new ATOM 0 HA LYS A 26 -23.935 81.300 22.524 1.00 1.40 H new ATOM 0 HB2 LYS A 26 -22.967 80.586 19.769 1.00 1.74 H new ATOM 0 HB3 LYS A 26 -24.573 81.275 19.893 1.00 1.74 H new ATOM 0 HG2 LYS A 26 -23.682 83.355 20.198 1.00 2.12 H new ATOM 0 HG3 LYS A 26 -22.847 82.805 21.637 1.00 2.12 H new ATOM 0 HD2 LYS A 26 -21.308 81.682 19.577 1.00 2.31 H new ATOM 0 HD3 LYS A 26 -21.784 83.225 18.896 1.00 2.31 H new ATOM 0 HE2 LYS A 26 -20.938 84.413 20.911 1.00 2.62 H new ATOM 0 HE3 LYS A 26 -20.545 82.886 21.676 1.00 2.62 H new ATOM 0 HZ1 LYS A 26 -18.654 82.736 20.519 1.00 2.76 H new ATOM 0 HZ2 LYS A 26 -19.418 83.077 19.041 1.00 2.76 H new ATOM 0 HZ3 LYS A 26 -18.898 84.347 20.042 1.00 2.76 H new 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 0 H THR A 27 -24.227 78.425 20.228 1.00 1.09 H new ATOM 0 HA THR A 27 -27.057 78.217 20.518 1.00 1.16 H new ATOM 0 HB THR A 27 -25.001 76.025 20.016 1.00 1.38 H new ATOM 0 HG1 THR A 27 -25.121 76.645 17.884 1.00 1.95 H new ATOM 0 HG21 THR A 27 -26.870 74.958 18.794 1.00 1.87 H new ATOM 0 HG22 THR A 27 -27.288 75.215 20.504 1.00 1.87 H new ATOM 0 HG23 THR A 27 -27.941 76.302 19.256 1.00 1.87 H new 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 0 H MET A 28 -24.329 76.572 22.321 1.00 0.77 H new ATOM 0 HA MET A 28 -26.335 75.592 24.325 1.00 0.77 H new ATOM 0 HB2 MET A 28 -24.819 73.939 23.290 1.00 1.10 H new ATOM 0 HB3 MET A 28 -23.428 74.928 23.685 1.00 1.10 H new ATOM 0 HG2 MET A 28 -23.342 73.757 25.641 1.00 2.23 H new ATOM 0 HG3 MET A 28 -24.703 74.737 26.149 1.00 2.23 H new ATOM 0 HE1 MET A 28 -27.724 72.526 24.774 1.00 3.70 H new ATOM 0 HE2 MET A 28 -27.245 74.103 25.444 1.00 3.70 H new ATOM 0 HE3 MET A 28 -26.753 73.651 23.795 1.00 3.70 H new 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 0 H ASN A 29 -26.728 77.430 25.657 1.00 1.24 H new ATOM 0 HA ASN A 29 -24.953 79.507 26.159 1.00 1.66 H new ATOM 0 HB2 ASN A 29 -27.436 79.199 26.851 1.00 2.67 H new ATOM 0 HB3 ASN A 29 -26.857 78.267 28.218 1.00 2.67 H new ATOM 0 HD21 ASN A 29 -26.974 82.216 28.702 1.00 4.12 H new ATOM 0 HD22 ASN A 29 -27.986 81.257 27.616 1.00 4.12 H new 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 0 H ILE A 30 -22.724 78.882 26.489 1.00 0.79 H new ATOM 0 HA ILE A 30 -22.116 78.387 29.278 1.00 0.85 H new ATOM 0 HB ILE A 30 -20.624 76.331 28.565 1.00 1.63 H new ATOM 0 HG12 ILE A 30 -23.036 75.763 26.817 1.00 2.05 H new ATOM 0 HG13 ILE A 30 -21.636 76.575 26.144 1.00 2.05 H new ATOM 0 HG21 ILE A 30 -22.429 74.822 29.378 1.00 2.22 H new ATOM 0 HG22 ILE A 30 -22.351 76.319 30.338 1.00 2.22 H new ATOM 0 HG23 ILE A 30 -23.621 76.115 29.108 1.00 2.22 H new ATOM 0 HD11 ILE A 30 -21.448 74.120 25.853 1.00 2.71 H new ATOM 0 HD12 ILE A 30 -20.165 74.722 26.930 1.00 2.71 H new ATOM 0 HD13 ILE A 30 -21.586 73.897 27.614 1.00 2.71 H new 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 0 H ALA A 31 -19.881 79.112 29.673 1.00 0.82 H new ATOM 0 HA ALA A 31 -18.686 80.701 27.620 1.00 0.71 H new ATOM 0 HB1 ALA A 31 -16.755 80.763 29.170 1.00 0.86 H new ATOM 0 HB2 ALA A 31 -18.286 80.990 30.049 1.00 0.86 H new ATOM 0 HB3 ALA A 31 -17.456 79.417 30.099 1.00 0.86 H new 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 0 H ARG A 32 -16.416 80.281 26.580 1.00 0.58 H new ATOM 0 HA ARG A 32 -16.481 77.730 25.265 1.00 0.55 H new ATOM 0 HB2 ARG A 32 -14.302 78.493 24.347 1.00 0.67 H new ATOM 0 HB3 ARG A 32 -15.507 79.762 24.260 1.00 0.67 H new ATOM 0 HG2 ARG A 32 -13.834 81.021 25.240 1.00 0.73 H new ATOM 0 HG3 ARG A 32 -14.488 80.341 26.717 1.00 0.73 H new ATOM 0 HD2 ARG A 32 -12.529 79.244 27.120 1.00 1.23 H new ATOM 0 HD3 ARG A 32 -12.652 78.405 25.586 1.00 1.23 H new ATOM 0 HE ARG A 32 -11.763 80.974 24.839 1.00 1.54 H new ATOM 0 HH11 ARG A 32 -10.694 78.493 27.127 1.00 2.69 H new ATOM 0 HH12 ARG A 32 -8.993 78.944 26.973 1.00 2.69 H new ATOM 0 HH21 ARG A 32 -9.598 81.503 24.676 1.00 2.64 H new ATOM 0 HH22 ARG A 32 -8.385 80.620 25.609 1.00 2.64 H new 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 0 H SER A 33 -14.500 78.946 28.107 1.00 0.43 H new ATOM 0 HA SER A 33 -12.932 76.505 28.177 1.00 0.39 H new ATOM 0 HB2 SER A 33 -13.299 77.898 30.742 1.00 0.47 H new ATOM 0 HB3 SER A 33 -11.828 77.563 29.852 1.00 0.47 H new ATOM 0 HG SER A 33 -12.292 79.843 29.956 1.00 1.13 H new 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 0 H THR A 34 -16.046 77.665 29.626 1.00 0.44 H new ATOM 0 HA THR A 34 -16.380 75.564 31.528 1.00 0.49 H new ATOM 0 HB THR A 34 -18.468 77.045 29.867 1.00 0.59 H new ATOM 0 HG1 THR A 34 -18.426 78.443 31.809 1.00 0.62 H new ATOM 0 HG21 THR A 34 -19.911 76.633 31.836 1.00 0.67 H new ATOM 0 HG22 THR A 34 -19.334 75.103 31.134 1.00 0.67 H new ATOM 0 HG23 THR A 34 -18.587 75.738 32.619 1.00 0.67 H new 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 0 H VAL A 35 -16.952 75.761 27.950 1.00 0.49 H new ATOM 0 HA VAL A 35 -18.504 73.364 27.813 1.00 0.51 H new ATOM 0 HB VAL A 35 -16.606 74.375 25.686 1.00 0.61 H new ATOM 0 HG11 VAL A 35 -18.398 73.459 24.204 1.00 0.58 H new ATOM 0 HG12 VAL A 35 -17.774 72.207 25.305 1.00 0.58 H new ATOM 0 HG13 VAL A 35 -19.336 72.990 25.642 1.00 0.58 H new ATOM 0 HG21 VAL A 35 -18.442 75.835 24.904 1.00 0.94 H new ATOM 0 HG22 VAL A 35 -19.405 75.389 26.332 1.00 0.94 H new ATOM 0 HG23 VAL A 35 -17.890 76.303 26.530 1.00 0.94 H new 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 0 H TYR A 36 -14.917 74.085 27.926 1.00 0.35 H new ATOM 0 HA TYR A 36 -14.262 71.324 27.232 1.00 0.32 H new ATOM 0 HB2 TYR A 36 -12.656 73.698 28.195 1.00 0.32 H new ATOM 0 HB3 TYR A 36 -11.939 72.105 28.061 1.00 0.32 H new ATOM 0 HD1 TYR A 36 -13.246 70.909 25.710 1.00 1.26 H new ATOM 0 HD2 TYR A 36 -11.977 74.963 26.340 1.00 1.15 H new ATOM 0 HE1 TYR A 36 -13.099 71.224 23.264 1.00 1.27 H new ATOM 0 HE2 TYR A 36 -11.813 75.287 23.889 1.00 1.16 H new ATOM 0 HH TYR A 36 -12.881 72.779 21.588 1.00 0.45 H new 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 0 H LYS A 37 -15.404 72.812 30.197 1.00 0.39 H new ATOM 0 HA LYS A 37 -14.063 70.987 31.998 1.00 0.49 H new ATOM 0 HB2 LYS A 37 -16.466 72.762 32.018 1.00 0.54 H new ATOM 0 HB3 LYS A 37 -16.436 71.451 33.180 1.00 0.54 H new ATOM 0 HG2 LYS A 37 -15.163 72.867 34.463 1.00 0.92 H new ATOM 0 HG3 LYS A 37 -13.843 72.409 33.405 1.00 0.92 H new ATOM 0 HD2 LYS A 37 -14.872 74.340 31.837 1.00 1.65 H new ATOM 0 HD3 LYS A 37 -15.533 74.917 33.353 1.00 1.65 H new ATOM 0 HE2 LYS A 37 -13.393 75.986 33.192 1.00 2.40 H new ATOM 0 HE3 LYS A 37 -13.141 74.678 34.330 1.00 2.40 H new ATOM 0 HZ1 LYS A 37 -11.508 74.969 32.364 1.00 3.11 H new ATOM 0 HZ2 LYS A 37 -12.025 73.402 32.765 1.00 3.11 H new ATOM 0 HZ3 LYS A 37 -12.713 74.209 31.439 1.00 3.11 H new 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 0 H VAL A 38 -17.072 71.018 29.983 1.00 0.56 H new ATOM 0 HA VAL A 38 -18.002 68.381 30.851 1.00 0.66 H new ATOM 0 HB VAL A 38 -18.639 70.583 28.877 1.00 0.73 H new ATOM 0 HG11 VAL A 38 -20.442 69.302 27.810 1.00 0.81 H new ATOM 0 HG12 VAL A 38 -18.837 68.627 27.445 1.00 0.81 H new ATOM 0 HG13 VAL A 38 -19.886 67.829 28.641 1.00 0.81 H new ATOM 0 HG21 VAL A 38 -20.887 70.361 29.982 1.00 0.88 H new ATOM 0 HG22 VAL A 38 -20.282 68.954 30.889 1.00 0.88 H new ATOM 0 HG23 VAL A 38 -19.590 70.567 31.183 1.00 0.88 H new 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 0 H ILE A 39 -16.526 69.590 27.735 1.00 0.56 H new ATOM 0 HA ILE A 39 -16.492 67.087 26.416 1.00 0.59 H new ATOM 0 HB ILE A 39 -14.443 69.305 26.275 1.00 0.53 H new ATOM 0 HG12 ILE A 39 -16.803 69.229 24.398 1.00 0.52 H new ATOM 0 HG13 ILE A 39 -17.160 69.700 26.048 1.00 0.52 H new ATOM 0 HG21 ILE A 39 -14.318 68.707 23.866 1.00 0.59 H new ATOM 0 HG22 ILE A 39 -13.879 67.336 24.912 1.00 0.59 H new ATOM 0 HG23 ILE A 39 -15.483 67.391 24.144 1.00 0.59 H new ATOM 0 HD11 ILE A 39 -16.569 71.665 24.684 1.00 1.01 H new ATOM 0 HD12 ILE A 39 -15.363 71.401 25.966 1.00 1.01 H new ATOM 0 HD13 ILE A 39 -15.000 70.923 24.290 1.00 1.01 H new 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 0 H ASN A 40 -14.264 68.459 28.880 1.00 0.64 H new ATOM 0 HA ASN A 40 -12.207 66.469 28.495 1.00 0.76 H new ATOM 0 HB2 ASN A 40 -12.058 68.727 29.712 1.00 0.75 H new ATOM 0 HB3 ASN A 40 -12.965 68.001 31.024 1.00 0.75 H new ATOM 0 HD21 ASN A 40 -9.703 67.091 32.291 1.00 2.06 H new ATOM 0 HD22 ASN A 40 -11.074 68.190 32.474 1.00 2.06 H new 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 0 H GLU A 41 -15.192 66.735 30.582 1.00 0.00 H new ATOM 0 HA GLU A 41 -14.645 64.404 32.141 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.214 65.810 31.289 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.208 64.448 32.392 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -15.829 65.644 34.008 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.475 66.920 32.861 1.00 0.00 H new 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 0 H SER A 42 -16.001 64.845 28.815 1.00 0.00 H new ATOM 0 HA SER A 42 -16.558 63.275 27.248 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.166 61.106 28.834 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.202 61.346 27.098 1.00 0.00 H new ATOM 0 HG SER A 42 -13.168 61.997 28.032 1.00 0.00 H new 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 0 H ASN A 43 -18.319 63.660 29.736 1.00 0.00 H new ATOM 0 HA ASN A 43 -19.351 60.980 30.302 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -21.120 62.315 31.503 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -19.493 62.723 32.010 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -21.731 65.524 29.943 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.286 63.852 30.077 1.00 0.00 H new TER 698 ASN A 43 END