USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1024 hydrogens (0 hets) HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-DEC-03 1RZW TITLE THE SOLUTION STRUCTURE OF THE ARCHAEGLOBUS FULGIDIS PROTEIN TITLE 2 AF2095. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET GR4 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN AF2095(GR4); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; SOURCE 3 ORGANISM_TAXID: 2234; SOURCE 4 GENE: AF2095; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21 KEYWDS BETA-SHEET OF 4 PARALLEL, ANTI-PARALLEL BETA-STRANDS AND 3 KEYWDS 2 ALPHA-HELICES, STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE KEYWDS 3 INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG, KEYWDS 4 UNKNOWN FUNCTION EXPDTA SOLUTION NMR AUTHOR R.POWERS,T.B.ACTON,Y.J.HUANG,J.LIU,L.MA,B.ROST,Y.CHIANG, AUTHOR 2 J.R.CORT,M.A.KENNEDY,G.T.MONTELIONE,NORTHEAST STRUCTURAL AUTHOR 3 GENOMICS CONSORTIUM (NESG) REVDAT 5 24-FEB-09 1RZW 1 VERSN REVDAT 4 01-NOV-05 1RZW 1 JRNL REVDAT 3 17-MAY-05 1RZW 1 TITLE COMPND AUTHOR JRNL REVDAT 3 2 1 REMARK MASTER REVDAT 2 25-JAN-05 1RZW 1 AUTHOR KEYWDS REMARK REVDAT 1 16-NOV-04 1RZW 0 JRNL AUTH R.POWERS,N.MIRKOVIC,S.GOLDSMITH-FISCHMAN,T.B.ACTON, JRNL AUTH 2 Y.CHIANG,Y.J.HUANG,L.MA,P.K.RAJAN,J.R.CORT, JRNL AUTH 3 M.A.KENNEDY,J.LIU,B.ROST,B.HONIG,D.MURRAY, JRNL AUTH 4 G.T.MONTELIONE JRNL TITL SOLUTION STRUCTURE OF ARCHAEGLOBUS FULGIDIS JRNL TITL 2 PEPTIDYL-TRNA HYDROLASE (PTH2) PROVIDES EVIDENCE JRNL TITL 3 FOR AN EXTENSIVE CONSERVED FAMILY OF PTH2 ENZYMES JRNL TITL 4 IN ARCHEA, BACTERIA, AND EUKARYOTES JRNL REF PROTEIN SCI. V. 14 2849 2005 JRNL REFN ISSN 0961-8368 JRNL PMID 16251366 JRNL DOI 10.1110/PS.051666705 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.POWERS,T.B.ACTON,Y.CHIANG,R.PARANJI,J.R.CORT, REMARK 1 AUTH 2 M.A.KENNEDY,J.LIU,L.MA,B.ROST,G.T.MONTELIONE REMARK 1 TITL 1H, 13C AND 15N ASSIGNMENTS FOR THE ARCHAEGLOBUS REMARK 1 TITL 2 FULGIDIS PROTEIN AF2095. REMARK 1 REF J.BIOMOL.NMR V. 30 107 2004 REMARK 1 REFN ISSN 0925-2738 REMARK 1 PMID 15452442 REMARK 1 DOI 10.1023/B:JNMR.0000042947.19593.80 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AUTOSTRUCTURE 2.0B REMARK 3 AUTHORS : HUANG, MONTELIONE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1RZW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 05-JAN-04. REMARK 100 THE RCSB ID CODE IS RCSB021192. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 313 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 20 MM MES, 100 MM NACL, 5 MM REMARK 210 CACL2, 10 MM DTT, 0.02% NAN3 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 20 MM MES, 100 MM NACL, 5 MM REMARK 210 CACL2, 10 MM DTT, 0.02% NAN3, REMARK 210 5% D2O PH 6.5 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, HNHA, REMARK 210 TRIPLE-RESONANCE EXPERIMENTS REMARK 210 FOR BACKBONE/SIDECHAIN REMARK 210 ASSIGNMENTS REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 750 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 2.2, XPLOR-NIH 2.9.1, REMARK 210 PIPP 4.3.5, AUTOASSIGN 1.11.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING MOLECULAR DYNAMICS 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 ASP A 12 60.48 86.17 REMARK 500 SER A 37 -85.27 -47.51 REMARK 500 LYS A 42 -72.03 -67.63 REMARK 500 ASP A 45 -34.05 -39.10 REMARK 500 ASP A 80 90.80 -54.20 REMARK 500 THR A 84 62.44 -166.65 REMARK 500 GLU A 85 -76.77 -139.03 REMARK 500 PRO A 88 170.78 -57.98 REMARK 500 HIS A 119 -82.03 -80.25 REMARK 500 HIS A 121 40.01 -176.52 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: GR4 RELATED DB: TARGETDB DBREF 1RZW A 1 115 UNP O28185 PTH_ARCFU 1 115 SEQADV 1RZW LEU A 116 UNP O28185 EXPRESSION TAG SEQADV 1RZW GLU A 117 UNP O28185 EXPRESSION TAG SEQADV 1RZW HIS A 118 UNP O28185 EXPRESSION TAG SEQADV 1RZW HIS A 119 UNP O28185 EXPRESSION TAG SEQADV 1RZW HIS A 120 UNP O28185 EXPRESSION TAG SEQADV 1RZW HIS A 121 UNP O28185 EXPRESSION TAG SEQADV 1RZW HIS A 122 UNP O28185 EXPRESSION TAG SEQADV 1RZW HIS A 123 UNP O28185 EXPRESSION TAG SEQRES 1 A 123 MET THR LEU LYS GLN VAL ILE VAL VAL ARG ASP ASP LEU SEQRES 2 A 123 LYS LEU SER ARG GLY LYS LEU ALA VAL GLN VAL ALA HIS SEQRES 3 A 123 ALA ALA ILE ILE GLY TYR LEU LYS SER ASP SER SER LEU SEQRES 4 A 123 ARG ARG LYS TRP LEU ASP GLU GLY GLN LYS LYS VAL VAL SEQRES 5 A 123 LEU LYS VAL LYS SER LEU GLU GLU LEU LEU GLY ILE LYS SEQRES 6 A 123 HIS LYS ALA GLU SER LEU GLY LEU VAL THR GLY LEU VAL SEQRES 7 A 123 GLN ASP ALA GLY LEU THR GLU VAL PRO PRO GLY THR ILE SEQRES 8 A 123 THR ALA VAL VAL ILE GLY PRO ASP GLU GLU ARG LYS ILE SEQRES 9 A 123 ASP LYS VAL THR GLY ASN LEU PRO LEU LEU LYS LEU GLU SEQRES 10 A 123 HIS HIS HIS HIS HIS HIS HELIX 1 1 GLY A 18 SER A 37 1 20 HELIX 2 2 SER A 38 TRP A 43 1 6 HELIX 3 3 LEU A 44 GLY A 47 5 4 HELIX 4 4 SER A 57 LEU A 71 1 15 HELIX 5 5 GLU A 100 GLY A 109 1 10 SHEET 1 A 4 LYS A 50 LYS A 54 0 SHEET 2 A 4 LYS A 4 ARG A 10 1 N VAL A 9 O LEU A 53 SHEET 3 A 4 THR A 92 ASP A 99 -1 O ASP A 99 N LYS A 4 SHEET 4 A 4 THR A 75 VAL A 78 -1 N GLY A 76 O VAL A 95 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.0142 (180deg=-1.22) USER MOD Single : A 2 THR OG1 : rot 100:sc= -0.597 USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= -3.81 (180deg=-4.5!) USER MOD Single : A 5 GLN : amide:sc= -5.33! C(o=-5.3!,f=-5.6!) USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= -0.0807 (180deg=-0.473) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= -0.428 (180deg=-0.757) USER MOD Single : A 23 GLN :FLIP amide:sc= -1.77 F(o=-3.1!,f=-1.8) USER MOD Single : A 26 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.49) USER MOD Single : A 32 TYR OH : rot 39:sc= 0.16 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -10:sc= -2.32! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -145:sc= -0.181 (180deg=-0.419) USER MOD Single : A 48 GLN : amide:sc= -1.43 K(o=-1.4,f=-2) USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= -4.84! (180deg=-5.77!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 169:sc= 0.486 (180deg=0.0636) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.65) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -158:sc= -0.245 USER MOD Single : A 79 GLN : amide:sc= -0.866 K(o=-0.87,f=-5.7!) USER MOD Single : A 84 THR OG1 : rot -65:sc= 1.12 USER MOD Single : A 90 THR OG1 : rot -160:sc= -1.49 USER MOD Single : A 92 THR OG1 : rot 100:sc= -1.96! USER MOD Single : A 103 LYS NZ :NH3+ -168:sc= -0.767 (180deg=-1.13) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot -62:sc= 0.23 USER MOD Single : A 110 ASN : amide:sc= -1.29! K(o=-1.3!,f=-2.8) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.37) USER MOD Single : A 119 HIS : no HD1:sc= -1.11! C(o=-1.1!,f=-2.2!) USER MOD Single : A 120 HIS : no HE2:sc= -0.347 X(o=-0.35,f=-0.6) USER MOD Single : A 121 HIS : no HE2:sc= 0.305 K(o=0.31,f=-6.2!) USER MOD Single : A 122 HIS : no HE2:sc= -2.28! C(o=-2.3!,f=-6.6!) USER MOD Single : A 123 HIS : no HD1:sc= -0.0855 X(o=-0.085,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.758 21.277 0.750 1.00 2.28 N ATOM 2 CA MET A 1 2.461 21.208 0.021 1.00 1.68 C ATOM 3 C MET A 1 1.650 20.019 0.538 1.00 1.30 C ATOM 4 O MET A 1 1.622 19.744 1.721 1.00 1.45 O ATOM 5 CB MET A 1 2.723 21.043 -1.478 1.00 2.40 C ATOM 6 CG MET A 1 3.634 22.175 -1.960 1.00 3.04 C ATOM 7 SD MET A 1 3.234 22.589 -3.678 1.00 4.19 S ATOM 8 CE MET A 1 4.200 21.281 -4.470 1.00 4.96 C ATOM 0 H1 MET A 1 3.971 22.267 0.987 1.00 2.28 H new ATOM 0 H2 MET A 1 3.695 20.718 1.624 1.00 2.28 H new ATOM 0 H3 MET A 1 4.515 20.895 0.148 1.00 2.28 H new ATOM 0 HA MET A 1 1.900 22.128 0.187 1.00 1.68 H new ATOM 0 HB2 MET A 1 3.189 20.077 -1.673 1.00 2.40 H new ATOM 0 HB3 MET A 1 1.782 21.059 -2.027 1.00 2.40 H new ATOM 0 HG2 MET A 1 3.508 23.052 -1.325 1.00 3.04 H new ATOM 0 HG3 MET A 1 4.678 21.873 -1.882 1.00 3.04 H new ATOM 0 HE1 MET A 1 4.092 21.354 -5.552 1.00 4.96 H new ATOM 0 HE2 MET A 1 5.251 21.391 -4.202 1.00 4.96 H new ATOM 0 HE3 MET A 1 3.840 20.309 -4.134 1.00 4.96 H new ATOM 20 N THR A 2 0.988 19.310 -0.336 1.00 1.11 N ATOM 21 CA THR A 2 0.182 18.143 0.117 1.00 1.01 C ATOM 22 C THR A 2 1.050 16.882 0.099 1.00 0.74 C ATOM 23 O THR A 2 1.117 16.174 -0.886 1.00 0.88 O ATOM 24 CB THR A 2 -1.021 17.964 -0.814 1.00 1.40 C ATOM 25 OG1 THR A 2 -1.518 16.641 -0.695 1.00 2.20 O ATOM 26 CG2 THR A 2 -0.597 18.230 -2.259 1.00 1.33 C ATOM 0 H THR A 2 0.971 19.488 -1.340 1.00 1.11 H new ATOM 0 HA THR A 2 -0.173 18.315 1.133 1.00 1.01 H new ATOM 0 HB THR A 2 -1.804 18.670 -0.536 1.00 1.40 H new ATOM 0 HG1 THR A 2 -2.302 16.638 -0.107 1.00 2.20 H new ATOM 0 HG21 THR A 2 -1.455 18.102 -2.919 1.00 1.33 H new ATOM 0 HG22 THR A 2 -0.221 19.249 -2.346 1.00 1.33 H new ATOM 0 HG23 THR A 2 0.187 17.528 -2.543 1.00 1.33 H new ATOM 34 N LEU A 3 1.710 16.601 1.194 1.00 0.55 N ATOM 35 CA LEU A 3 2.578 15.391 1.280 1.00 0.31 C ATOM 36 C LEU A 3 1.884 14.350 2.150 1.00 0.27 C ATOM 37 O LEU A 3 1.313 14.678 3.172 1.00 0.30 O ATOM 38 CB LEU A 3 3.911 15.767 1.927 1.00 0.36 C ATOM 39 CG LEU A 3 4.758 16.599 0.952 1.00 0.37 C ATOM 40 CD1 LEU A 3 4.149 17.994 0.749 1.00 0.43 C ATOM 41 CD2 LEU A 3 6.174 16.744 1.516 1.00 0.40 C ATOM 0 H LEU A 3 1.683 17.167 2.042 1.00 0.55 H new ATOM 0 HA LEU A 3 2.754 14.992 0.281 1.00 0.31 H new ATOM 0 HB2 LEU A 3 3.733 16.334 2.841 1.00 0.36 H new ATOM 0 HB3 LEU A 3 4.452 14.865 2.212 1.00 0.36 H new ATOM 0 HG LEU A 3 4.783 16.089 -0.011 1.00 0.37 H new ATOM 0 HD11 LEU A 3 4.767 18.563 0.055 1.00 0.43 H new ATOM 0 HD12 LEU A 3 3.142 17.896 0.342 1.00 0.43 H new ATOM 0 HD13 LEU A 3 4.105 18.514 1.706 1.00 0.43 H new ATOM 0 HD21 LEU A 3 6.781 17.334 0.829 1.00 0.40 H new ATOM 0 HD22 LEU A 3 6.131 17.245 2.483 1.00 0.40 H new ATOM 0 HD23 LEU A 3 6.620 15.757 1.638 1.00 0.40 H new ATOM 53 N LYS A 4 1.915 13.103 1.761 1.00 0.23 N ATOM 54 CA LYS A 4 1.232 12.063 2.597 1.00 0.22 C ATOM 55 C LYS A 4 1.971 10.728 2.480 1.00 0.20 C ATOM 56 O LYS A 4 2.319 10.303 1.400 1.00 0.19 O ATOM 57 CB LYS A 4 -0.235 11.933 2.127 1.00 0.24 C ATOM 58 CG LYS A 4 -0.963 10.770 2.823 1.00 0.25 C ATOM 59 CD LYS A 4 -1.038 11.012 4.334 1.00 0.26 C ATOM 60 CE LYS A 4 -2.432 10.646 4.851 1.00 0.42 C ATOM 61 NZ LYS A 4 -2.772 9.259 4.437 1.00 1.37 N ATOM 0 H LYS A 4 2.374 12.760 0.917 1.00 0.23 H new ATOM 0 HA LYS A 4 1.244 12.357 3.647 1.00 0.22 H new ATOM 0 HB2 LYS A 4 -0.764 12.864 2.329 1.00 0.24 H new ATOM 0 HB3 LYS A 4 -0.258 11.781 1.048 1.00 0.24 H new ATOM 0 HG2 LYS A 4 -1.968 10.666 2.415 1.00 0.25 H new ATOM 0 HG3 LYS A 4 -0.440 9.835 2.624 1.00 0.25 H new ATOM 0 HD2 LYS A 4 -0.283 10.415 4.845 1.00 0.26 H new ATOM 0 HD3 LYS A 4 -0.821 12.057 4.555 1.00 0.26 H new ATOM 0 HE2 LYS A 4 -2.461 10.729 5.937 1.00 0.42 H new ATOM 0 HE3 LYS A 4 -3.171 11.344 4.458 1.00 0.42 H new ATOM 0 HZ1 LYS A 4 -3.806 9.147 4.414 1.00 1.37 H new ATOM 0 HZ2 LYS A 4 -2.383 9.074 3.491 1.00 1.37 H new ATOM 0 HZ3 LYS A 4 -2.366 8.584 5.116 1.00 1.37 H new ATOM 75 N GLN A 5 2.206 10.065 3.596 1.00 0.20 N ATOM 76 CA GLN A 5 2.919 8.750 3.561 1.00 0.21 C ATOM 77 C GLN A 5 1.945 7.641 3.908 1.00 0.21 C ATOM 78 O GLN A 5 1.366 7.644 4.979 1.00 0.24 O ATOM 79 CB GLN A 5 4.024 8.734 4.621 1.00 0.25 C ATOM 80 CG GLN A 5 5.045 7.606 4.344 1.00 0.35 C ATOM 81 CD GLN A 5 4.706 6.376 5.171 1.00 1.10 C ATOM 82 OE1 GLN A 5 3.588 6.210 5.619 1.00 1.86 O ATOM 83 NE2 GLN A 5 5.636 5.492 5.387 1.00 1.70 N ATOM 0 H GLN A 5 1.933 10.382 4.526 1.00 0.20 H new ATOM 0 HA GLN A 5 3.338 8.606 2.565 1.00 0.21 H new ATOM 0 HB2 GLN A 5 4.535 9.697 4.632 1.00 0.25 H new ATOM 0 HB3 GLN A 5 3.583 8.595 5.608 1.00 0.25 H new ATOM 0 HG2 GLN A 5 5.040 7.353 3.284 1.00 0.35 H new ATOM 0 HG3 GLN A 5 6.051 7.949 4.585 1.00 0.35 H new ATOM 0 HE21 GLN A 5 6.573 5.635 5.010 1.00 1.70 H new ATOM 0 HE22 GLN A 5 5.428 4.656 5.934 1.00 1.70 H new ATOM 92 N VAL A 6 1.763 6.682 3.039 1.00 0.20 N ATOM 93 CA VAL A 6 0.827 5.577 3.378 1.00 0.22 C ATOM 94 C VAL A 6 1.264 4.265 2.769 1.00 0.21 C ATOM 95 O VAL A 6 1.582 4.183 1.597 1.00 0.23 O ATOM 96 CB VAL A 6 -0.589 5.886 2.893 1.00 0.26 C ATOM 97 CG1 VAL A 6 -1.428 4.607 2.955 1.00 0.54 C ATOM 98 CG2 VAL A 6 -1.228 6.932 3.798 1.00 0.54 C ATOM 0 H VAL A 6 2.214 6.618 2.126 1.00 0.20 H new ATOM 0 HA VAL A 6 0.836 5.489 4.464 1.00 0.22 H new ATOM 0 HB VAL A 6 -0.545 6.263 1.871 1.00 0.26 H new ATOM 0 HG11 VAL A 6 -2.440 4.819 2.611 1.00 0.54 H new ATOM 0 HG12 VAL A 6 -0.979 3.846 2.317 1.00 0.54 H new ATOM 0 HG13 VAL A 6 -1.463 4.244 3.982 1.00 0.54 H new ATOM 0 HG21 VAL A 6 -2.237 7.149 3.448 1.00 0.54 H new ATOM 0 HG22 VAL A 6 -1.272 6.552 4.819 1.00 0.54 H new ATOM 0 HG23 VAL A 6 -0.633 7.845 3.776 1.00 0.54 H new ATOM 108 N ILE A 7 1.201 3.226 3.554 1.00 0.21 N ATOM 109 CA ILE A 7 1.521 1.871 3.029 1.00 0.22 C ATOM 110 C ILE A 7 0.185 1.156 2.891 1.00 0.22 C ATOM 111 O ILE A 7 -0.526 0.976 3.859 1.00 0.25 O ATOM 112 CB ILE A 7 2.436 1.105 3.998 1.00 0.24 C ATOM 113 CG1 ILE A 7 3.699 1.932 4.261 1.00 0.26 C ATOM 114 CG2 ILE A 7 2.857 -0.233 3.372 1.00 0.29 C ATOM 115 CD1 ILE A 7 3.482 2.933 5.401 1.00 0.27 C ATOM 0 H ILE A 7 0.941 3.258 4.540 1.00 0.21 H new ATOM 0 HA ILE A 7 2.051 1.932 2.079 1.00 0.22 H new ATOM 0 HB ILE A 7 1.896 0.926 4.928 1.00 0.24 H new ATOM 0 HG12 ILE A 7 4.526 1.267 4.510 1.00 0.26 H new ATOM 0 HG13 ILE A 7 3.982 2.466 3.354 1.00 0.26 H new ATOM 0 HG21 ILE A 7 3.505 -0.771 4.064 1.00 0.29 H new ATOM 0 HG22 ILE A 7 1.971 -0.833 3.165 1.00 0.29 H new ATOM 0 HG23 ILE A 7 3.394 -0.047 2.442 1.00 0.29 H new ATOM 0 HD11 ILE A 7 4.396 3.504 5.563 1.00 0.27 H new ATOM 0 HD12 ILE A 7 2.671 3.613 5.139 1.00 0.27 H new ATOM 0 HD13 ILE A 7 3.224 2.395 6.313 1.00 0.27 H new ATOM 127 N VAL A 8 -0.175 0.769 1.698 1.00 0.21 N ATOM 128 CA VAL A 8 -1.485 0.093 1.506 1.00 0.23 C ATOM 129 C VAL A 8 -1.268 -1.415 1.556 1.00 0.24 C ATOM 130 O VAL A 8 -0.266 -1.912 1.083 1.00 0.24 O ATOM 131 CB VAL A 8 -2.107 0.480 0.155 1.00 0.25 C ATOM 132 CG1 VAL A 8 -3.609 0.677 0.338 1.00 0.57 C ATOM 133 CG2 VAL A 8 -1.503 1.785 -0.376 1.00 0.66 C ATOM 0 H VAL A 8 0.381 0.892 0.852 1.00 0.21 H new ATOM 0 HA VAL A 8 -2.167 0.405 2.297 1.00 0.23 H new ATOM 0 HB VAL A 8 -1.904 -0.318 -0.559 1.00 0.25 H new ATOM 0 HG11 VAL A 8 -4.059 0.952 -0.616 1.00 0.57 H new ATOM 0 HG12 VAL A 8 -4.057 -0.250 0.696 1.00 0.57 H new ATOM 0 HG13 VAL A 8 -3.786 1.470 1.065 1.00 0.57 H new ATOM 0 HG21 VAL A 8 -1.961 2.035 -1.333 1.00 0.66 H new ATOM 0 HG22 VAL A 8 -1.689 2.589 0.337 1.00 0.66 H new ATOM 0 HG23 VAL A 8 -0.428 1.661 -0.510 1.00 0.66 H new ATOM 143 N VAL A 9 -2.194 -2.139 2.141 1.00 0.26 N ATOM 144 CA VAL A 9 -2.046 -3.619 2.242 1.00 0.28 C ATOM 145 C VAL A 9 -3.257 -4.307 1.638 1.00 0.26 C ATOM 146 O VAL A 9 -4.378 -4.113 2.053 1.00 0.25 O ATOM 147 CB VAL A 9 -1.907 -4.025 3.710 1.00 0.32 C ATOM 148 CG1 VAL A 9 -0.680 -3.338 4.315 1.00 0.37 C ATOM 149 CG2 VAL A 9 -3.160 -3.604 4.479 1.00 0.35 C ATOM 0 H VAL A 9 -3.048 -1.763 2.553 1.00 0.26 H new ATOM 0 HA VAL A 9 -1.153 -3.922 1.695 1.00 0.28 H new ATOM 0 HB VAL A 9 -1.788 -5.106 3.778 1.00 0.32 H new ATOM 0 HG11 VAL A 9 -0.580 -3.627 5.361 1.00 0.37 H new ATOM 0 HG12 VAL A 9 0.213 -3.641 3.768 1.00 0.37 H new ATOM 0 HG13 VAL A 9 -0.798 -2.257 4.247 1.00 0.37 H new ATOM 0 HG21 VAL A 9 -3.060 -3.894 5.525 1.00 0.35 H new ATOM 0 HG22 VAL A 9 -3.282 -2.523 4.412 1.00 0.35 H new ATOM 0 HG23 VAL A 9 -4.033 -4.095 4.049 1.00 0.35 H new ATOM 159 N ARG A 10 -3.035 -5.141 0.674 1.00 0.28 N ATOM 160 CA ARG A 10 -4.171 -5.862 0.068 1.00 0.29 C ATOM 161 C ARG A 10 -4.400 -7.108 0.889 1.00 0.28 C ATOM 162 O ARG A 10 -3.754 -8.116 0.679 1.00 0.30 O ATOM 163 CB ARG A 10 -3.820 -6.274 -1.346 1.00 0.36 C ATOM 164 CG ARG A 10 -5.040 -6.898 -2.020 1.00 0.45 C ATOM 165 CD ARG A 10 -4.678 -7.409 -3.412 1.00 1.25 C ATOM 166 NE ARG A 10 -5.929 -7.812 -4.115 1.00 1.78 N ATOM 167 CZ ARG A 10 -5.881 -8.652 -5.112 1.00 2.45 C ATOM 168 NH1 ARG A 10 -4.734 -9.127 -5.514 1.00 2.90 N ATOM 169 NH2 ARG A 10 -6.984 -9.015 -5.709 1.00 3.23 N ATOM 0 H ARG A 10 -2.118 -5.354 0.281 1.00 0.28 H new ATOM 0 HA ARG A 10 -5.057 -5.227 0.047 1.00 0.29 H new ATOM 0 HB2 ARG A 10 -3.483 -5.407 -1.914 1.00 0.36 H new ATOM 0 HB3 ARG A 10 -2.996 -6.987 -1.333 1.00 0.36 H new ATOM 0 HG2 ARG A 10 -5.419 -7.719 -1.412 1.00 0.45 H new ATOM 0 HG3 ARG A 10 -5.839 -6.161 -2.093 1.00 0.45 H new ATOM 0 HD2 ARG A 10 -4.161 -6.633 -3.976 1.00 1.25 H new ATOM 0 HD3 ARG A 10 -3.997 -8.257 -3.338 1.00 1.25 H new ATOM 0 HE ARG A 10 -6.826 -7.430 -3.815 1.00 1.78 H new ATOM 0 HH11 ARG A 10 -3.872 -8.842 -5.048 1.00 2.90 H new ATOM 0 HH12 ARG A 10 -4.699 -9.784 -6.294 1.00 2.90 H new ATOM 0 HH21 ARG A 10 -7.880 -8.642 -5.396 1.00 3.23 H new ATOM 0 HH22 ARG A 10 -6.950 -9.672 -6.489 1.00 3.23 H new ATOM 183 N ASP A 11 -5.311 -7.024 1.812 1.00 0.37 N ATOM 184 CA ASP A 11 -5.637 -8.168 2.695 1.00 0.45 C ATOM 185 C ASP A 11 -6.818 -8.933 2.105 1.00 0.50 C ATOM 186 O ASP A 11 -7.512 -8.437 1.241 1.00 0.51 O ATOM 187 CB ASP A 11 -6.003 -7.653 4.089 1.00 0.59 C ATOM 188 CG ASP A 11 -5.874 -8.792 5.103 1.00 1.40 C ATOM 189 OD1 ASP A 11 -6.784 -9.600 5.176 1.00 2.17 O ATOM 190 OD2 ASP A 11 -4.865 -8.837 5.787 1.00 2.07 O ATOM 0 H ASP A 11 -5.859 -6.183 1.995 1.00 0.37 H new ATOM 0 HA ASP A 11 -4.774 -8.829 2.773 1.00 0.45 H new ATOM 0 HB2 ASP A 11 -5.347 -6.828 4.367 1.00 0.59 H new ATOM 0 HB3 ASP A 11 -7.022 -7.265 4.089 1.00 0.59 H new ATOM 195 N ASP A 12 -7.013 -10.142 2.555 1.00 0.58 N ATOM 196 CA ASP A 12 -8.124 -11.010 2.038 1.00 0.67 C ATOM 197 C ASP A 12 -7.638 -11.745 0.792 1.00 0.63 C ATOM 198 O ASP A 12 -8.169 -11.626 -0.295 1.00 0.73 O ATOM 199 CB ASP A 12 -9.371 -10.174 1.713 1.00 0.75 C ATOM 200 CG ASP A 12 -10.623 -11.032 1.904 1.00 1.53 C ATOM 201 OD1 ASP A 12 -10.526 -12.235 1.724 1.00 2.26 O ATOM 202 OD2 ASP A 12 -11.657 -10.472 2.228 1.00 2.29 O ATOM 0 H ASP A 12 -6.439 -10.579 3.276 1.00 0.58 H new ATOM 0 HA ASP A 12 -8.401 -11.731 2.807 1.00 0.67 H new ATOM 0 HB2 ASP A 12 -9.414 -9.299 2.361 1.00 0.75 H new ATOM 0 HB3 ASP A 12 -9.320 -9.809 0.687 1.00 0.75 H new ATOM 207 N LEU A 13 -6.617 -12.518 0.991 1.00 0.60 N ATOM 208 CA LEU A 13 -5.999 -13.328 -0.085 1.00 0.60 C ATOM 209 C LEU A 13 -6.605 -14.733 -0.034 1.00 0.67 C ATOM 210 O LEU A 13 -6.308 -15.503 0.854 1.00 0.64 O ATOM 211 CB LEU A 13 -4.483 -13.383 0.140 1.00 0.59 C ATOM 212 CG LEU A 13 -3.790 -14.087 -1.032 1.00 1.14 C ATOM 213 CD1 LEU A 13 -3.532 -13.092 -2.162 1.00 1.99 C ATOM 214 CD2 LEU A 13 -2.455 -14.662 -0.546 1.00 1.95 C ATOM 0 H LEU A 13 -6.165 -12.626 1.899 1.00 0.60 H new ATOM 0 HA LEU A 13 -6.189 -12.888 -1.064 1.00 0.60 H new ATOM 0 HB2 LEU A 13 -4.089 -12.373 0.249 1.00 0.59 H new ATOM 0 HB3 LEU A 13 -4.266 -13.911 1.068 1.00 0.59 H new ATOM 0 HG LEU A 13 -4.430 -14.887 -1.404 1.00 1.14 H new ATOM 0 HD11 LEU A 13 -3.039 -13.602 -2.990 1.00 1.99 H new ATOM 0 HD12 LEU A 13 -4.480 -12.676 -2.504 1.00 1.99 H new ATOM 0 HD13 LEU A 13 -2.893 -12.287 -1.799 1.00 1.99 H new ATOM 0 HD21 LEU A 13 -1.953 -15.165 -1.372 1.00 1.95 H new ATOM 0 HD22 LEU A 13 -1.824 -13.854 -0.176 1.00 1.95 H new ATOM 0 HD23 LEU A 13 -2.637 -15.376 0.257 1.00 1.95 H new ATOM 226 N LYS A 14 -7.494 -15.041 -0.945 1.00 0.84 N ATOM 227 CA LYS A 14 -8.175 -16.375 -0.935 1.00 0.96 C ATOM 228 C LYS A 14 -7.164 -17.481 -0.600 1.00 0.81 C ATOM 229 O LYS A 14 -7.529 -18.548 -0.150 1.00 0.94 O ATOM 230 CB LYS A 14 -8.745 -16.653 -2.330 1.00 1.17 C ATOM 231 CG LYS A 14 -9.594 -15.460 -2.796 1.00 1.86 C ATOM 232 CD LYS A 14 -10.296 -15.785 -4.125 1.00 2.44 C ATOM 233 CE LYS A 14 -9.356 -15.500 -5.304 1.00 3.27 C ATOM 234 NZ LYS A 14 -9.171 -14.029 -5.452 1.00 3.78 N ATOM 0 H LYS A 14 -7.780 -14.421 -1.702 1.00 0.84 H new ATOM 0 HA LYS A 14 -8.968 -16.363 -0.187 1.00 0.96 H new ATOM 0 HB2 LYS A 14 -7.933 -16.830 -3.035 1.00 1.17 H new ATOM 0 HB3 LYS A 14 -9.353 -17.557 -2.310 1.00 1.17 H new ATOM 0 HG2 LYS A 14 -10.336 -15.215 -2.036 1.00 1.86 H new ATOM 0 HG3 LYS A 14 -8.961 -14.581 -2.918 1.00 1.86 H new ATOM 0 HD2 LYS A 14 -10.600 -16.832 -4.138 1.00 2.44 H new ATOM 0 HD3 LYS A 14 -11.203 -15.188 -4.221 1.00 2.44 H new ATOM 0 HE2 LYS A 14 -8.393 -15.983 -5.139 1.00 3.27 H new ATOM 0 HE3 LYS A 14 -9.770 -15.919 -6.221 1.00 3.27 H new ATOM 0 HZ1 LYS A 14 -8.932 -13.807 -6.439 1.00 3.78 H new ATOM 0 HZ2 LYS A 14 -10.051 -13.540 -5.191 1.00 3.78 H new ATOM 0 HZ3 LYS A 14 -8.401 -13.712 -4.829 1.00 3.78 H new ATOM 248 N LEU A 15 -5.898 -17.226 -0.785 1.00 0.73 N ATOM 249 CA LEU A 15 -4.873 -18.254 -0.442 1.00 0.86 C ATOM 250 C LEU A 15 -4.551 -18.147 1.053 1.00 0.71 C ATOM 251 O LEU A 15 -4.860 -17.164 1.694 1.00 1.24 O ATOM 252 CB LEU A 15 -3.610 -18.038 -1.277 1.00 1.52 C ATOM 253 CG LEU A 15 -3.829 -18.621 -2.675 1.00 2.02 C ATOM 254 CD1 LEU A 15 -3.023 -17.824 -3.702 1.00 2.59 C ATOM 255 CD2 LEU A 15 -3.364 -20.079 -2.691 1.00 2.68 C ATOM 0 H LEU A 15 -5.529 -16.352 -1.158 1.00 0.73 H new ATOM 0 HA LEU A 15 -5.259 -19.249 -0.662 1.00 0.86 H new ATOM 0 HB2 LEU A 15 -3.381 -16.974 -1.345 1.00 1.52 H new ATOM 0 HB3 LEU A 15 -2.756 -18.518 -0.799 1.00 1.52 H new ATOM 0 HG LEU A 15 -4.888 -18.566 -2.927 1.00 2.02 H new ATOM 0 HD11 LEU A 15 -3.183 -18.244 -4.695 1.00 2.59 H new ATOM 0 HD12 LEU A 15 -3.348 -16.784 -3.691 1.00 2.59 H new ATOM 0 HD13 LEU A 15 -1.963 -17.876 -3.453 1.00 2.59 H new ATOM 0 HD21 LEU A 15 -3.518 -20.499 -3.685 1.00 2.68 H new ATOM 0 HD22 LEU A 15 -2.305 -20.126 -2.437 1.00 2.68 H new ATOM 0 HD23 LEU A 15 -3.937 -20.652 -1.962 1.00 2.68 H new ATOM 267 N SER A 16 -3.970 -19.162 1.625 1.00 0.95 N ATOM 268 CA SER A 16 -3.676 -19.127 3.089 1.00 1.13 C ATOM 269 C SER A 16 -2.969 -17.822 3.479 1.00 0.83 C ATOM 270 O SER A 16 -1.882 -17.534 3.041 1.00 1.16 O ATOM 271 CB SER A 16 -2.777 -20.310 3.446 1.00 1.89 C ATOM 272 OG SER A 16 -3.574 -21.475 3.610 1.00 2.64 O ATOM 0 H SER A 16 -3.685 -20.016 1.145 1.00 0.95 H new ATOM 0 HA SER A 16 -4.618 -19.185 3.634 1.00 1.13 H new ATOM 0 HB2 SER A 16 -2.038 -20.469 2.661 1.00 1.89 H new ATOM 0 HB3 SER A 16 -2.227 -20.100 4.364 1.00 1.89 H new ATOM 0 HG SER A 16 -2.999 -22.235 3.837 1.00 2.64 H new ATOM 278 N ARG A 17 -3.598 -17.044 4.319 1.00 0.62 N ATOM 279 CA ARG A 17 -2.998 -15.756 4.795 1.00 0.65 C ATOM 280 C ARG A 17 -2.109 -15.997 6.023 1.00 0.69 C ATOM 281 O ARG A 17 -1.737 -15.066 6.708 1.00 0.83 O ATOM 282 CB ARG A 17 -4.109 -14.786 5.199 1.00 1.03 C ATOM 283 CG ARG A 17 -4.689 -14.093 3.965 1.00 1.46 C ATOM 284 CD ARG A 17 -5.881 -13.225 4.384 1.00 1.51 C ATOM 285 NE ARG A 17 -5.610 -12.601 5.710 1.00 2.14 N ATOM 286 CZ ARG A 17 -6.602 -12.204 6.460 1.00 2.56 C ATOM 287 NH1 ARG A 17 -7.831 -12.328 6.039 1.00 2.69 N ATOM 288 NH2 ARG A 17 -6.363 -11.678 7.630 1.00 3.44 N ATOM 0 H ARG A 17 -4.520 -17.248 4.704 1.00 0.62 H new ATOM 0 HA ARG A 17 -2.402 -15.340 3.983 1.00 0.65 H new ATOM 0 HB2 ARG A 17 -4.897 -15.325 5.725 1.00 1.03 H new ATOM 0 HB3 ARG A 17 -3.716 -14.041 5.891 1.00 1.03 H new ATOM 0 HG2 ARG A 17 -3.927 -13.478 3.487 1.00 1.46 H new ATOM 0 HG3 ARG A 17 -5.005 -14.835 3.232 1.00 1.46 H new ATOM 0 HD2 ARG A 17 -6.059 -12.451 3.637 1.00 1.51 H new ATOM 0 HD3 ARG A 17 -6.785 -13.832 4.436 1.00 1.51 H new ATOM 0 HE ARG A 17 -4.649 -12.484 6.032 1.00 2.14 H new ATOM 0 HH11 ARG A 17 -8.018 -12.736 5.123 1.00 2.69 H new ATOM 0 HH12 ARG A 17 -8.605 -12.017 6.626 1.00 2.69 H new ATOM 0 HH21 ARG A 17 -5.402 -11.578 7.957 1.00 3.44 H new ATOM 0 HH22 ARG A 17 -7.137 -11.367 8.217 1.00 3.44 H new ATOM 302 N GLY A 18 -1.807 -17.224 6.348 1.00 0.80 N ATOM 303 CA GLY A 18 -0.999 -17.478 7.573 1.00 1.03 C ATOM 304 C GLY A 18 0.462 -17.148 7.320 1.00 0.76 C ATOM 305 O GLY A 18 0.974 -16.145 7.775 1.00 0.76 O ATOM 0 H GLY A 18 -2.082 -18.055 5.824 1.00 0.80 H new ATOM 0 HA2 GLY A 18 -1.377 -16.874 8.398 1.00 1.03 H new ATOM 0 HA3 GLY A 18 -1.097 -18.522 7.871 1.00 1.03 H new ATOM 309 N LYS A 19 1.138 -17.990 6.608 1.00 0.76 N ATOM 310 CA LYS A 19 2.569 -17.742 6.332 1.00 0.75 C ATOM 311 C LYS A 19 2.723 -16.561 5.369 1.00 0.59 C ATOM 312 O LYS A 19 3.677 -15.813 5.444 1.00 0.64 O ATOM 313 CB LYS A 19 3.178 -19.015 5.713 1.00 1.07 C ATOM 314 CG LYS A 19 4.231 -18.643 4.664 1.00 0.99 C ATOM 315 CD LYS A 19 5.063 -19.868 4.291 1.00 1.59 C ATOM 316 CE LYS A 19 6.067 -19.493 3.189 1.00 1.87 C ATOM 317 NZ LYS A 19 6.365 -18.033 3.226 1.00 2.63 N ATOM 0 H LYS A 19 0.759 -18.846 6.202 1.00 0.76 H new ATOM 0 HA LYS A 19 3.088 -17.497 7.259 1.00 0.75 H new ATOM 0 HB2 LYS A 19 3.632 -19.626 6.493 1.00 1.07 H new ATOM 0 HB3 LYS A 19 2.393 -19.616 5.254 1.00 1.07 H new ATOM 0 HG2 LYS A 19 3.743 -18.242 3.776 1.00 0.99 H new ATOM 0 HG3 LYS A 19 4.880 -17.859 5.053 1.00 0.99 H new ATOM 0 HD2 LYS A 19 5.592 -20.241 5.168 1.00 1.59 H new ATOM 0 HD3 LYS A 19 4.412 -20.671 3.946 1.00 1.59 H new ATOM 0 HE2 LYS A 19 6.988 -20.061 3.320 1.00 1.87 H new ATOM 0 HE3 LYS A 19 5.662 -19.762 2.214 1.00 1.87 H new ATOM 0 HZ1 LYS A 19 7.142 -17.821 2.568 1.00 2.63 H new ATOM 0 HZ2 LYS A 19 5.518 -17.499 2.946 1.00 2.63 H new ATOM 0 HZ3 LYS A 19 6.643 -17.760 4.190 1.00 2.63 H new ATOM 331 N LEU A 20 1.828 -16.408 4.444 1.00 0.55 N ATOM 332 CA LEU A 20 1.979 -15.303 3.469 1.00 0.52 C ATOM 333 C LEU A 20 1.966 -13.976 4.221 1.00 0.48 C ATOM 334 O LEU A 20 2.739 -13.084 3.936 1.00 0.58 O ATOM 335 CB LEU A 20 0.833 -15.348 2.444 1.00 0.56 C ATOM 336 CG LEU A 20 0.997 -16.489 1.399 1.00 0.82 C ATOM 337 CD1 LEU A 20 2.364 -16.408 0.681 1.00 1.56 C ATOM 338 CD2 LEU A 20 0.776 -17.886 2.036 1.00 1.67 C ATOM 0 H LEU A 20 1.003 -16.995 4.320 1.00 0.55 H new ATOM 0 HA LEU A 20 2.923 -15.408 2.934 1.00 0.52 H new ATOM 0 HB2 LEU A 20 -0.113 -15.478 2.970 1.00 0.56 H new ATOM 0 HB3 LEU A 20 0.780 -14.391 1.924 1.00 0.56 H new ATOM 0 HG LEU A 20 0.222 -16.349 0.646 1.00 0.82 H new ATOM 0 HD11 LEU A 20 2.444 -17.220 -0.042 1.00 1.56 H new ATOM 0 HD12 LEU A 20 2.447 -15.452 0.164 1.00 1.56 H new ATOM 0 HD13 LEU A 20 3.166 -16.495 1.414 1.00 1.56 H new ATOM 0 HD21 LEU A 20 0.899 -18.657 1.275 1.00 1.67 H new ATOM 0 HD22 LEU A 20 1.504 -18.042 2.832 1.00 1.67 H new ATOM 0 HD23 LEU A 20 -0.231 -17.942 2.450 1.00 1.67 H new ATOM 350 N ALA A 21 1.121 -13.847 5.196 1.00 0.43 N ATOM 351 CA ALA A 21 1.092 -12.584 5.978 1.00 0.48 C ATOM 352 C ALA A 21 2.414 -12.458 6.740 1.00 0.48 C ATOM 353 O ALA A 21 2.934 -11.377 6.931 1.00 0.52 O ATOM 354 CB ALA A 21 -0.073 -12.617 6.970 1.00 0.57 C ATOM 0 H ALA A 21 0.450 -14.558 5.487 1.00 0.43 H new ATOM 0 HA ALA A 21 0.961 -11.733 5.310 1.00 0.48 H new ATOM 0 HB1 ALA A 21 -0.091 -11.689 7.541 1.00 0.57 H new ATOM 0 HB2 ALA A 21 -1.011 -12.726 6.426 1.00 0.57 H new ATOM 0 HB3 ALA A 21 0.052 -13.460 7.650 1.00 0.57 H new ATOM 360 N VAL A 22 2.958 -13.564 7.177 1.00 0.50 N ATOM 361 CA VAL A 22 4.245 -13.520 7.928 1.00 0.56 C ATOM 362 C VAL A 22 5.375 -13.039 7.014 1.00 0.51 C ATOM 363 O VAL A 22 6.087 -12.111 7.341 1.00 0.54 O ATOM 364 CB VAL A 22 4.577 -14.916 8.453 1.00 0.64 C ATOM 365 CG1 VAL A 22 6.026 -14.947 8.940 1.00 0.73 C ATOM 366 CG2 VAL A 22 3.644 -15.256 9.618 1.00 0.72 C ATOM 0 H VAL A 22 2.565 -14.496 7.045 1.00 0.50 H new ATOM 0 HA VAL A 22 4.143 -12.827 8.763 1.00 0.56 H new ATOM 0 HB VAL A 22 4.446 -15.645 7.654 1.00 0.64 H new ATOM 0 HG11 VAL A 22 6.263 -15.943 9.315 1.00 0.73 H new ATOM 0 HG12 VAL A 22 6.693 -14.702 8.113 1.00 0.73 H new ATOM 0 HG13 VAL A 22 6.157 -14.218 9.740 1.00 0.73 H new ATOM 0 HG21 VAL A 22 3.879 -16.252 9.994 1.00 0.72 H new ATOM 0 HG22 VAL A 22 3.778 -14.526 10.416 1.00 0.72 H new ATOM 0 HG23 VAL A 22 2.610 -15.233 9.275 1.00 0.72 H new ATOM 376 N GLN A 23 5.556 -13.656 5.873 1.00 0.47 N ATOM 377 CA GLN A 23 6.652 -13.207 4.969 1.00 0.47 C ATOM 378 C GLN A 23 6.427 -11.750 4.563 1.00 0.42 C ATOM 379 O GLN A 23 7.342 -10.951 4.546 1.00 0.42 O ATOM 380 CB GLN A 23 6.672 -14.092 3.717 1.00 0.52 C ATOM 381 CG GLN A 23 7.605 -13.492 2.651 1.00 0.77 C ATOM 382 CD GLN A 23 8.946 -13.101 3.280 1.00 0.68 C ATOM 383 OE1 GLN A 23 9.268 -11.836 3.374 1.00 1.65 O flip ATOM 384 NE2 GLN A 23 9.709 -13.953 3.690 1.00 0.55 N flip ATOM 0 H GLN A 23 4.999 -14.440 5.534 1.00 0.47 H new ATOM 0 HA GLN A 23 7.606 -13.288 5.490 1.00 0.47 H new ATOM 0 HB2 GLN A 23 7.007 -15.096 3.979 1.00 0.52 H new ATOM 0 HB3 GLN A 23 5.663 -14.187 3.315 1.00 0.52 H new ATOM 0 HG2 GLN A 23 7.767 -14.215 1.851 1.00 0.77 H new ATOM 0 HG3 GLN A 23 7.138 -12.617 2.200 1.00 0.77 H new ATOM 0 HE21 GLN A 23 9.459 -14.939 3.617 1.00 0.55 H new ATOM 0 HE22 GLN A 23 10.600 -13.682 4.107 1.00 0.55 H new ATOM 393 N VAL A 24 5.220 -11.400 4.227 1.00 0.40 N ATOM 394 CA VAL A 24 4.939 -9.998 3.812 1.00 0.40 C ATOM 395 C VAL A 24 5.210 -9.045 4.973 1.00 0.37 C ATOM 396 O VAL A 24 5.758 -7.976 4.788 1.00 0.37 O ATOM 397 CB VAL A 24 3.477 -9.886 3.384 1.00 0.45 C ATOM 398 CG1 VAL A 24 3.123 -8.412 3.129 1.00 0.53 C ATOM 399 CG2 VAL A 24 3.267 -10.706 2.101 1.00 0.54 C ATOM 0 H VAL A 24 4.413 -12.024 4.221 1.00 0.40 H new ATOM 0 HA VAL A 24 5.588 -9.730 2.978 1.00 0.40 H new ATOM 0 HB VAL A 24 2.831 -10.271 4.173 1.00 0.45 H new ATOM 0 HG11 VAL A 24 2.079 -8.336 2.824 1.00 0.53 H new ATOM 0 HG12 VAL A 24 3.277 -7.838 4.043 1.00 0.53 H new ATOM 0 HG13 VAL A 24 3.762 -8.016 2.340 1.00 0.53 H new ATOM 0 HG21 VAL A 24 2.226 -10.632 1.788 1.00 0.54 H new ATOM 0 HG22 VAL A 24 3.911 -10.319 1.312 1.00 0.54 H new ATOM 0 HG23 VAL A 24 3.515 -11.750 2.292 1.00 0.54 H new ATOM 409 N ALA A 25 4.834 -9.407 6.166 1.00 0.39 N ATOM 410 CA ALA A 25 5.083 -8.490 7.306 1.00 0.43 C ATOM 411 C ALA A 25 6.581 -8.224 7.377 1.00 0.40 C ATOM 412 O ALA A 25 7.017 -7.102 7.540 1.00 0.43 O ATOM 413 CB ALA A 25 4.607 -9.138 8.607 1.00 0.49 C ATOM 0 H ALA A 25 4.371 -10.286 6.398 1.00 0.39 H new ATOM 0 HA ALA A 25 4.539 -7.556 7.167 1.00 0.43 H new ATOM 0 HB1 ALA A 25 4.792 -8.460 9.440 1.00 0.49 H new ATOM 0 HB2 ALA A 25 3.539 -9.347 8.540 1.00 0.49 H new ATOM 0 HB3 ALA A 25 5.150 -10.069 8.769 1.00 0.49 H new ATOM 419 N HIS A 26 7.377 -9.241 7.219 1.00 0.41 N ATOM 420 CA HIS A 26 8.845 -9.025 7.243 1.00 0.44 C ATOM 421 C HIS A 26 9.220 -8.158 6.044 1.00 0.38 C ATOM 422 O HIS A 26 9.911 -7.171 6.172 1.00 0.41 O ATOM 423 CB HIS A 26 9.572 -10.368 7.157 1.00 0.50 C ATOM 424 CG HIS A 26 9.535 -11.044 8.499 1.00 1.03 C ATOM 425 ND1 HIS A 26 9.796 -10.361 9.676 1.00 1.87 N ATOM 426 CD2 HIS A 26 9.279 -12.342 8.867 1.00 1.54 C ATOM 427 CE1 HIS A 26 9.692 -11.241 10.688 1.00 2.42 C ATOM 428 NE2 HIS A 26 9.378 -12.464 10.250 1.00 2.22 N ATOM 0 H HIS A 26 7.077 -10.205 7.075 1.00 0.41 H new ATOM 0 HA HIS A 26 9.135 -8.532 8.171 1.00 0.44 H new ATOM 0 HB2 HIS A 26 9.101 -11.001 6.406 1.00 0.50 H new ATOM 0 HB3 HIS A 26 10.605 -10.215 6.843 1.00 0.50 H new ATOM 0 HD2 HIS A 26 9.038 -13.146 8.187 1.00 1.54 H new ATOM 0 HE1 HIS A 26 9.844 -10.990 11.727 1.00 2.42 H new ATOM 0 HE2 HIS A 26 9.240 -13.306 10.809 1.00 2.22 H new ATOM 436 N ALA A 27 8.749 -8.518 4.877 1.00 0.33 N ATOM 437 CA ALA A 27 9.064 -7.716 3.661 1.00 0.31 C ATOM 438 C ALA A 27 8.490 -6.309 3.814 1.00 0.29 C ATOM 439 O ALA A 27 9.058 -5.343 3.344 1.00 0.29 O ATOM 440 CB ALA A 27 8.443 -8.385 2.433 1.00 0.33 C ATOM 0 H ALA A 27 8.159 -9.334 4.716 1.00 0.33 H new ATOM 0 HA ALA A 27 10.145 -7.657 3.537 1.00 0.31 H new ATOM 0 HB1 ALA A 27 8.673 -7.798 1.544 1.00 0.33 H new ATOM 0 HB2 ALA A 27 8.851 -9.390 2.321 1.00 0.33 H new ATOM 0 HB3 ALA A 27 7.362 -8.444 2.559 1.00 0.33 H new ATOM 446 N ALA A 28 7.370 -6.180 4.471 1.00 0.30 N ATOM 447 CA ALA A 28 6.778 -4.828 4.648 1.00 0.32 C ATOM 448 C ALA A 28 7.800 -3.941 5.356 1.00 0.32 C ATOM 449 O ALA A 28 7.936 -2.769 5.063 1.00 0.32 O ATOM 450 CB ALA A 28 5.506 -4.928 5.495 1.00 0.38 C ATOM 0 H ALA A 28 6.844 -6.947 4.889 1.00 0.30 H new ATOM 0 HA ALA A 28 6.522 -4.402 3.678 1.00 0.32 H new ATOM 0 HB1 ALA A 28 5.075 -3.935 5.623 1.00 0.38 H new ATOM 0 HB2 ALA A 28 4.785 -5.575 4.994 1.00 0.38 H new ATOM 0 HB3 ALA A 28 5.751 -5.345 6.472 1.00 0.38 H new ATOM 456 N ILE A 29 8.532 -4.502 6.279 1.00 0.34 N ATOM 457 CA ILE A 29 9.563 -3.707 7.004 1.00 0.38 C ATOM 458 C ILE A 29 10.728 -3.423 6.055 1.00 0.34 C ATOM 459 O ILE A 29 11.192 -2.305 5.944 1.00 0.35 O ATOM 460 CB ILE A 29 10.065 -4.501 8.215 1.00 0.45 C ATOM 461 CG1 ILE A 29 8.867 -4.841 9.120 1.00 0.49 C ATOM 462 CG2 ILE A 29 11.094 -3.656 8.985 1.00 0.51 C ATOM 463 CD1 ILE A 29 9.266 -5.878 10.182 1.00 1.31 C ATOM 0 H ILE A 29 8.460 -5.479 6.563 1.00 0.34 H new ATOM 0 HA ILE A 29 9.131 -2.767 7.348 1.00 0.38 H new ATOM 0 HB ILE A 29 10.542 -5.425 7.889 1.00 0.45 H new ATOM 0 HG12 ILE A 29 8.504 -3.936 9.607 1.00 0.49 H new ATOM 0 HG13 ILE A 29 8.047 -5.229 8.516 1.00 0.49 H new ATOM 0 HG21 ILE A 29 11.454 -4.217 9.847 1.00 0.51 H new ATOM 0 HG22 ILE A 29 11.933 -3.419 8.331 1.00 0.51 H new ATOM 0 HG23 ILE A 29 10.626 -2.732 9.323 1.00 0.51 H new ATOM 0 HD11 ILE A 29 8.405 -6.104 10.811 1.00 1.31 H new ATOM 0 HD12 ILE A 29 9.606 -6.790 9.691 1.00 1.31 H new ATOM 0 HD13 ILE A 29 10.070 -5.476 10.799 1.00 1.31 H new ATOM 475 N ILE A 30 11.202 -4.425 5.363 1.00 0.34 N ATOM 476 CA ILE A 30 12.331 -4.200 4.419 1.00 0.36 C ATOM 477 C ILE A 30 11.874 -3.198 3.368 1.00 0.32 C ATOM 478 O ILE A 30 12.598 -2.301 2.984 1.00 0.37 O ATOM 479 CB ILE A 30 12.713 -5.520 3.727 1.00 0.41 C ATOM 480 CG1 ILE A 30 12.920 -6.642 4.764 1.00 0.52 C ATOM 481 CG2 ILE A 30 13.995 -5.321 2.905 1.00 0.51 C ATOM 482 CD1 ILE A 30 13.644 -6.121 6.009 1.00 0.72 C ATOM 0 H ILE A 30 10.857 -5.384 5.411 1.00 0.34 H new ATOM 0 HA ILE A 30 13.199 -3.824 4.961 1.00 0.36 H new ATOM 0 HB ILE A 30 11.899 -5.813 3.064 1.00 0.41 H new ATOM 0 HG12 ILE A 30 11.954 -7.059 5.050 1.00 0.52 H new ATOM 0 HG13 ILE A 30 13.497 -7.452 4.317 1.00 0.52 H new ATOM 0 HG21 ILE A 30 14.263 -6.258 2.416 1.00 0.51 H new ATOM 0 HG22 ILE A 30 13.828 -4.553 2.150 1.00 0.51 H new ATOM 0 HG23 ILE A 30 14.806 -5.011 3.565 1.00 0.51 H new ATOM 0 HD11 ILE A 30 13.775 -6.936 6.721 1.00 0.72 H new ATOM 0 HD12 ILE A 30 14.620 -5.727 5.724 1.00 0.72 H new ATOM 0 HD13 ILE A 30 13.053 -5.329 6.469 1.00 0.72 H new ATOM 494 N GLY A 31 10.667 -3.339 2.911 1.00 0.28 N ATOM 495 CA GLY A 31 10.143 -2.388 1.893 1.00 0.30 C ATOM 496 C GLY A 31 10.008 -1.008 2.535 1.00 0.29 C ATOM 497 O GLY A 31 10.406 0.004 1.982 1.00 0.32 O ATOM 0 H GLY A 31 10.017 -4.072 3.197 1.00 0.28 H new ATOM 0 HA2 GLY A 31 10.816 -2.342 1.037 1.00 0.30 H new ATOM 0 HA3 GLY A 31 9.177 -2.728 1.521 1.00 0.30 H new ATOM 501 N TYR A 32 9.456 -0.971 3.713 1.00 0.27 N ATOM 502 CA TYR A 32 9.288 0.317 4.426 1.00 0.30 C ATOM 503 C TYR A 32 10.664 0.923 4.688 1.00 0.29 C ATOM 504 O TYR A 32 10.909 2.064 4.370 1.00 0.31 O ATOM 505 CB TYR A 32 8.571 0.045 5.753 1.00 0.35 C ATOM 506 CG TYR A 32 8.398 1.317 6.545 1.00 0.43 C ATOM 507 CD1 TYR A 32 9.441 1.791 7.349 1.00 0.52 C ATOM 508 CD2 TYR A 32 7.183 2.005 6.500 1.00 0.67 C ATOM 509 CE1 TYR A 32 9.267 2.956 8.106 1.00 0.63 C ATOM 510 CE2 TYR A 32 7.011 3.170 7.254 1.00 0.80 C ATOM 511 CZ TYR A 32 8.051 3.645 8.057 1.00 0.71 C ATOM 512 OH TYR A 32 7.877 4.794 8.801 1.00 0.86 O ATOM 0 H TYR A 32 9.111 -1.789 4.216 1.00 0.27 H new ATOM 0 HA TYR A 32 8.701 1.014 3.829 1.00 0.30 H new ATOM 0 HB2 TYR A 32 7.596 -0.402 5.559 1.00 0.35 H new ATOM 0 HB3 TYR A 32 9.142 -0.677 6.337 1.00 0.35 H new ATOM 0 HD1 TYR A 32 10.380 1.258 7.385 1.00 0.52 H new ATOM 0 HD2 TYR A 32 6.377 1.637 5.883 1.00 0.67 H new ATOM 0 HE1 TYR A 32 10.071 3.322 8.727 1.00 0.63 H new ATOM 0 HE2 TYR A 32 6.073 3.703 7.216 1.00 0.80 H new ATOM 0 HH TYR A 32 8.703 5.321 8.786 1.00 0.86 H new ATOM 522 N LEU A 33 11.569 0.156 5.239 1.00 0.30 N ATOM 523 CA LEU A 33 12.939 0.688 5.514 1.00 0.34 C ATOM 524 C LEU A 33 13.613 1.113 4.213 1.00 0.34 C ATOM 525 O LEU A 33 14.376 2.058 4.183 1.00 0.39 O ATOM 526 CB LEU A 33 13.786 -0.392 6.198 1.00 0.38 C ATOM 527 CG LEU A 33 13.313 -0.595 7.645 1.00 0.78 C ATOM 528 CD1 LEU A 33 14.047 -1.789 8.255 1.00 1.12 C ATOM 529 CD2 LEU A 33 13.603 0.657 8.491 1.00 1.14 C ATOM 0 H LEU A 33 11.419 -0.816 5.511 1.00 0.30 H new ATOM 0 HA LEU A 33 12.853 1.555 6.169 1.00 0.34 H new ATOM 0 HB2 LEU A 33 13.709 -1.329 5.647 1.00 0.38 H new ATOM 0 HB3 LEU A 33 14.837 -0.102 6.188 1.00 0.38 H new ATOM 0 HG LEU A 33 12.238 -0.776 7.638 1.00 0.78 H new ATOM 0 HD11 LEU A 33 13.713 -1.935 9.282 1.00 1.12 H new ATOM 0 HD12 LEU A 33 13.832 -2.685 7.672 1.00 1.12 H new ATOM 0 HD13 LEU A 33 15.120 -1.600 8.246 1.00 1.12 H new ATOM 0 HD21 LEU A 33 13.260 0.493 9.513 1.00 1.14 H new ATOM 0 HD22 LEU A 33 14.675 0.853 8.495 1.00 1.14 H new ATOM 0 HD23 LEU A 33 13.079 1.513 8.066 1.00 1.14 H new ATOM 541 N LYS A 34 13.348 0.434 3.135 1.00 0.34 N ATOM 542 CA LYS A 34 13.990 0.826 1.854 1.00 0.40 C ATOM 543 C LYS A 34 13.662 2.285 1.544 1.00 0.36 C ATOM 544 O LYS A 34 14.530 3.063 1.203 1.00 0.40 O ATOM 545 CB LYS A 34 13.473 -0.066 0.727 1.00 0.48 C ATOM 546 CG LYS A 34 14.108 0.364 -0.597 1.00 0.56 C ATOM 547 CD LYS A 34 13.781 -0.666 -1.678 1.00 0.90 C ATOM 548 CE LYS A 34 12.263 -0.792 -1.826 1.00 0.86 C ATOM 549 NZ LYS A 34 11.939 -1.324 -3.179 1.00 1.70 N ATOM 0 H LYS A 34 12.720 -0.368 3.085 1.00 0.34 H new ATOM 0 HA LYS A 34 15.070 0.708 1.940 1.00 0.40 H new ATOM 0 HB2 LYS A 34 13.712 -1.109 0.935 1.00 0.48 H new ATOM 0 HB3 LYS A 34 12.387 0.005 0.662 1.00 0.48 H new ATOM 0 HG2 LYS A 34 13.734 1.345 -0.890 1.00 0.56 H new ATOM 0 HG3 LYS A 34 15.188 0.455 -0.482 1.00 0.56 H new ATOM 0 HD2 LYS A 34 14.225 -0.365 -2.627 1.00 0.90 H new ATOM 0 HD3 LYS A 34 14.212 -1.632 -1.416 1.00 0.90 H new ATOM 0 HE2 LYS A 34 11.866 -1.455 -1.058 1.00 0.86 H new ATOM 0 HE3 LYS A 34 11.791 0.180 -1.683 1.00 0.86 H new ATOM 0 HZ1 LYS A 34 10.908 -1.410 -3.280 1.00 1.70 H new ATOM 0 HZ2 LYS A 34 12.305 -0.675 -3.904 1.00 1.70 H new ATOM 0 HZ3 LYS A 34 12.378 -2.259 -3.298 1.00 1.70 H new ATOM 563 N SER A 35 12.420 2.671 1.660 1.00 0.31 N ATOM 564 CA SER A 35 12.064 4.090 1.369 1.00 0.29 C ATOM 565 C SER A 35 12.191 4.938 2.639 1.00 0.28 C ATOM 566 O SER A 35 12.631 6.076 2.607 1.00 0.24 O ATOM 567 CB SER A 35 10.619 4.159 0.865 1.00 0.31 C ATOM 568 OG SER A 35 10.426 5.382 0.168 1.00 0.38 O ATOM 0 H SER A 35 11.643 2.072 1.941 1.00 0.31 H new ATOM 0 HA SER A 35 12.744 4.476 0.609 1.00 0.29 H new ATOM 0 HB2 SER A 35 10.410 3.315 0.208 1.00 0.31 H new ATOM 0 HB3 SER A 35 9.925 4.090 1.703 1.00 0.31 H new ATOM 0 HG SER A 35 11.202 5.964 0.307 1.00 0.38 H new ATOM 574 N ASP A 36 11.774 4.406 3.752 1.00 0.38 N ATOM 575 CA ASP A 36 11.822 5.197 5.014 1.00 0.41 C ATOM 576 C ASP A 36 13.241 5.568 5.416 1.00 0.41 C ATOM 577 O ASP A 36 13.438 6.417 6.263 1.00 0.51 O ATOM 578 CB ASP A 36 11.169 4.435 6.166 1.00 0.59 C ATOM 579 CG ASP A 36 11.583 5.057 7.506 1.00 1.50 C ATOM 580 OD1 ASP A 36 12.724 4.869 7.894 1.00 2.25 O ATOM 581 OD2 ASP A 36 10.751 5.693 8.129 1.00 2.23 O ATOM 0 H ASP A 36 11.403 3.460 3.844 1.00 0.38 H new ATOM 0 HA ASP A 36 11.269 6.115 4.814 1.00 0.41 H new ATOM 0 HB2 ASP A 36 10.084 4.462 6.063 1.00 0.59 H new ATOM 0 HB3 ASP A 36 11.466 3.387 6.135 1.00 0.59 H new ATOM 586 N SER A 37 14.231 4.937 4.863 1.00 0.42 N ATOM 587 CA SER A 37 15.617 5.267 5.285 1.00 0.48 C ATOM 588 C SER A 37 15.824 6.784 5.308 1.00 0.41 C ATOM 589 O SER A 37 15.678 7.414 6.337 1.00 0.44 O ATOM 590 CB SER A 37 16.611 4.622 4.317 1.00 0.53 C ATOM 591 OG SER A 37 17.934 4.831 4.792 1.00 1.40 O ATOM 0 H SER A 37 14.146 4.216 4.146 1.00 0.42 H new ATOM 0 HA SER A 37 15.782 4.880 6.291 1.00 0.48 H new ATOM 0 HB2 SER A 37 16.409 3.555 4.228 1.00 0.53 H new ATOM 0 HB3 SER A 37 16.498 5.052 3.322 1.00 0.53 H new ATOM 0 HG SER A 37 18.573 4.417 4.174 1.00 1.40 H new ATOM 597 N SER A 38 16.157 7.373 4.196 1.00 0.35 N ATOM 598 CA SER A 38 16.369 8.848 4.160 1.00 0.33 C ATOM 599 C SER A 38 15.125 9.569 3.643 1.00 0.25 C ATOM 600 O SER A 38 14.981 10.768 3.809 1.00 0.28 O ATOM 601 CB SER A 38 17.541 9.163 3.235 1.00 0.39 C ATOM 602 OG SER A 38 18.025 10.469 3.518 1.00 1.26 O ATOM 0 H SER A 38 16.293 6.895 3.305 1.00 0.35 H new ATOM 0 HA SER A 38 16.576 9.191 5.174 1.00 0.33 H new ATOM 0 HB2 SER A 38 18.336 8.430 3.374 1.00 0.39 H new ATOM 0 HB3 SER A 38 17.225 9.097 2.194 1.00 0.39 H new ATOM 0 HG SER A 38 18.779 10.674 2.926 1.00 1.26 H new ATOM 608 N LEU A 39 14.239 8.881 2.971 1.00 0.19 N ATOM 609 CA LEU A 39 13.071 9.603 2.412 1.00 0.17 C ATOM 610 C LEU A 39 12.121 10.028 3.526 1.00 0.19 C ATOM 611 O LEU A 39 11.627 11.138 3.531 1.00 0.22 O ATOM 612 CB LEU A 39 12.341 8.704 1.401 1.00 0.16 C ATOM 613 CG LEU A 39 11.988 9.491 0.123 1.00 0.18 C ATOM 614 CD1 LEU A 39 13.179 9.465 -0.833 1.00 0.25 C ATOM 615 CD2 LEU A 39 10.785 8.837 -0.560 1.00 0.20 C ATOM 0 H LEU A 39 14.274 7.878 2.791 1.00 0.19 H new ATOM 0 HA LEU A 39 13.422 10.500 1.903 1.00 0.17 H new ATOM 0 HB2 LEU A 39 12.970 7.851 1.146 1.00 0.16 H new ATOM 0 HB3 LEU A 39 11.432 8.306 1.851 1.00 0.16 H new ATOM 0 HG LEU A 39 11.748 10.521 0.386 1.00 0.18 H new ATOM 0 HD11 LEU A 39 12.932 10.021 -1.737 1.00 0.25 H new ATOM 0 HD12 LEU A 39 14.043 9.922 -0.351 1.00 0.25 H new ATOM 0 HD13 LEU A 39 13.414 8.433 -1.094 1.00 0.25 H new ATOM 0 HD21 LEU A 39 10.534 9.392 -1.464 1.00 0.20 H new ATOM 0 HD22 LEU A 39 11.031 7.808 -0.822 1.00 0.20 H new ATOM 0 HD23 LEU A 39 9.932 8.845 0.119 1.00 0.20 H new ATOM 627 N ARG A 40 11.842 9.173 4.462 1.00 0.21 N ATOM 628 CA ARG A 40 10.901 9.575 5.548 1.00 0.25 C ATOM 629 C ARG A 40 11.521 10.681 6.377 1.00 0.25 C ATOM 630 O ARG A 40 10.868 11.629 6.771 1.00 0.27 O ATOM 631 CB ARG A 40 10.652 8.393 6.469 1.00 0.36 C ATOM 632 CG ARG A 40 9.334 7.684 6.125 1.00 1.29 C ATOM 633 CD ARG A 40 9.081 7.524 4.617 1.00 2.41 C ATOM 634 NE ARG A 40 8.612 6.137 4.348 1.00 3.20 N ATOM 635 CZ ARG A 40 8.431 5.735 3.121 1.00 4.04 C ATOM 636 NH1 ARG A 40 8.802 6.488 2.125 1.00 4.43 N ATOM 637 NH2 ARG A 40 7.903 4.566 2.892 1.00 4.79 N ATOM 0 H ARG A 40 12.215 8.226 4.527 1.00 0.21 H new ATOM 0 HA ARG A 40 9.969 9.913 5.095 1.00 0.25 H new ATOM 0 HB2 ARG A 40 11.479 7.687 6.389 1.00 0.36 H new ATOM 0 HB3 ARG A 40 10.624 8.735 7.504 1.00 0.36 H new ATOM 0 HG2 ARG A 40 9.333 6.698 6.589 1.00 1.29 H new ATOM 0 HG3 ARG A 40 8.508 8.244 6.564 1.00 1.29 H new ATOM 0 HD2 ARG A 40 8.335 8.245 4.282 1.00 2.41 H new ATOM 0 HD3 ARG A 40 9.995 7.727 4.058 1.00 2.41 H new ATOM 0 HE ARG A 40 8.432 5.500 5.124 1.00 3.20 H new ATOM 0 HH11 ARG A 40 9.235 7.394 2.304 1.00 4.43 H new ATOM 0 HH12 ARG A 40 8.660 6.172 1.166 1.00 4.43 H new ATOM 0 HH21 ARG A 40 7.632 3.967 3.672 1.00 4.79 H new ATOM 0 HH22 ARG A 40 7.761 4.250 1.933 1.00 4.79 H new ATOM 651 N ARG A 41 12.781 10.561 6.653 1.00 0.26 N ATOM 652 CA ARG A 41 13.447 11.591 7.472 1.00 0.29 C ATOM 653 C ARG A 41 13.343 12.906 6.750 1.00 0.28 C ATOM 654 O ARG A 41 13.416 13.962 7.345 1.00 0.31 O ATOM 655 CB ARG A 41 14.923 11.231 7.644 1.00 0.33 C ATOM 656 CG ARG A 41 15.284 11.096 9.125 1.00 1.03 C ATOM 657 CD ARG A 41 15.290 12.468 9.809 1.00 1.60 C ATOM 658 NE ARG A 41 16.010 12.361 11.110 1.00 2.51 N ATOM 659 CZ ARG A 41 15.454 11.747 12.119 1.00 3.24 C ATOM 660 NH1 ARG A 41 14.255 11.246 12.000 1.00 3.41 N ATOM 661 NH2 ARG A 41 16.097 11.638 13.250 1.00 4.19 N ATOM 0 H ARG A 41 13.377 9.793 6.346 1.00 0.26 H new ATOM 0 HA ARG A 41 12.975 11.654 8.452 1.00 0.29 H new ATOM 0 HB2 ARG A 41 15.136 10.295 7.127 1.00 0.33 H new ATOM 0 HB3 ARG A 41 15.545 11.998 7.183 1.00 0.33 H new ATOM 0 HG2 ARG A 41 14.568 10.440 9.621 1.00 1.03 H new ATOM 0 HG3 ARG A 41 16.265 10.630 9.224 1.00 1.03 H new ATOM 0 HD2 ARG A 41 15.776 13.205 9.170 1.00 1.60 H new ATOM 0 HD3 ARG A 41 14.268 12.812 9.972 1.00 1.60 H new ATOM 0 HE ARG A 41 16.939 12.769 11.212 1.00 2.51 H new ATOM 0 HH11 ARG A 41 13.751 11.334 11.118 1.00 3.41 H new ATOM 0 HH12 ARG A 41 13.822 10.767 12.789 1.00 3.41 H new ATOM 0 HH21 ARG A 41 17.033 12.032 13.345 1.00 4.19 H new ATOM 0 HH22 ARG A 41 15.663 11.158 14.039 1.00 4.19 H new ATOM 675 N LYS A 42 13.174 12.863 5.469 1.00 0.25 N ATOM 676 CA LYS A 42 13.070 14.139 4.744 1.00 0.26 C ATOM 677 C LYS A 42 11.765 14.845 5.145 1.00 0.26 C ATOM 678 O LYS A 42 11.785 15.837 5.847 1.00 0.30 O ATOM 679 CB LYS A 42 13.093 13.884 3.236 1.00 0.26 C ATOM 680 CG LYS A 42 13.393 15.192 2.499 1.00 0.35 C ATOM 681 CD LYS A 42 13.047 15.039 1.012 1.00 0.42 C ATOM 682 CE LYS A 42 13.943 13.976 0.364 1.00 1.12 C ATOM 683 NZ LYS A 42 13.182 12.701 0.234 1.00 2.12 N ATOM 0 H LYS A 42 13.105 12.017 4.903 1.00 0.25 H new ATOM 0 HA LYS A 42 13.916 14.776 5.001 1.00 0.26 H new ATOM 0 HB2 LYS A 42 13.849 13.137 2.995 1.00 0.26 H new ATOM 0 HB3 LYS A 42 12.133 13.483 2.910 1.00 0.26 H new ATOM 0 HG2 LYS A 42 12.815 16.007 2.935 1.00 0.35 H new ATOM 0 HG3 LYS A 42 14.446 15.451 2.613 1.00 0.35 H new ATOM 0 HD2 LYS A 42 12.000 14.758 0.902 1.00 0.42 H new ATOM 0 HD3 LYS A 42 13.176 15.993 0.502 1.00 0.42 H new ATOM 0 HE2 LYS A 42 14.277 14.315 -0.617 1.00 1.12 H new ATOM 0 HE3 LYS A 42 14.836 13.819 0.969 1.00 1.12 H new ATOM 0 HZ1 LYS A 42 13.825 11.897 0.378 1.00 2.12 H new ATOM 0 HZ2 LYS A 42 12.427 12.673 0.949 1.00 2.12 H new ATOM 0 HZ3 LYS A 42 12.762 12.643 -0.715 1.00 2.12 H new ATOM 697 N TRP A 43 10.635 14.341 4.699 1.00 0.24 N ATOM 698 CA TRP A 43 9.323 14.984 5.046 1.00 0.25 C ATOM 699 C TRP A 43 8.606 14.263 6.195 1.00 0.25 C ATOM 700 O TRP A 43 8.046 14.896 7.067 1.00 0.28 O ATOM 701 CB TRP A 43 8.424 15.029 3.810 1.00 0.25 C ATOM 702 CG TRP A 43 7.570 13.806 3.718 1.00 0.23 C ATOM 703 CD1 TRP A 43 6.265 13.725 4.068 1.00 0.24 C ATOM 704 CD2 TRP A 43 7.939 12.502 3.221 1.00 0.22 C ATOM 705 NE1 TRP A 43 5.812 12.439 3.803 1.00 0.23 N ATOM 706 CE2 TRP A 43 6.816 11.648 3.288 1.00 0.22 C ATOM 707 CE3 TRP A 43 9.133 11.983 2.725 1.00 0.22 C ATOM 708 CZ2 TRP A 43 6.890 10.324 2.868 1.00 0.23 C ATOM 709 CZ3 TRP A 43 9.202 10.656 2.312 1.00 0.22 C ATOM 710 CH2 TRP A 43 8.090 9.834 2.381 1.00 0.23 C ATOM 0 H TRP A 43 10.565 13.512 4.109 1.00 0.24 H new ATOM 0 HA TRP A 43 9.535 15.998 5.385 1.00 0.25 H new ATOM 0 HB2 TRP A 43 7.791 15.916 3.850 1.00 0.25 H new ATOM 0 HB3 TRP A 43 9.038 15.115 2.913 1.00 0.25 H new ATOM 0 HD1 TRP A 43 5.674 14.527 4.484 1.00 0.24 H new ATOM 0 HE1 TRP A 43 4.857 12.121 3.969 1.00 0.23 H new ATOM 0 HE3 TRP A 43 10.008 12.613 2.661 1.00 0.22 H new ATOM 0 HZ2 TRP A 43 6.021 9.685 2.921 1.00 0.23 H new ATOM 0 HZ3 TRP A 43 10.134 10.263 1.933 1.00 0.22 H new ATOM 0 HH2 TRP A 43 8.159 8.807 2.054 1.00 0.23 H new ATOM 721 N LEU A 44 8.573 12.952 6.198 1.00 0.24 N ATOM 722 CA LEU A 44 7.835 12.248 7.292 1.00 0.26 C ATOM 723 C LEU A 44 8.397 12.663 8.647 1.00 0.30 C ATOM 724 O LEU A 44 7.821 12.354 9.672 1.00 0.33 O ATOM 725 CB LEU A 44 7.933 10.721 7.151 1.00 0.26 C ATOM 726 CG LEU A 44 6.986 10.040 8.188 1.00 0.32 C ATOM 727 CD1 LEU A 44 6.044 8.990 7.558 1.00 0.56 C ATOM 728 CD2 LEU A 44 7.835 9.367 9.273 1.00 0.61 C ATOM 0 H LEU A 44 9.016 12.349 5.505 1.00 0.24 H new ATOM 0 HA LEU A 44 6.785 12.532 7.218 1.00 0.26 H new ATOM 0 HB2 LEU A 44 7.659 10.420 6.140 1.00 0.26 H new ATOM 0 HB3 LEU A 44 8.961 10.396 7.313 1.00 0.26 H new ATOM 0 HG LEU A 44 6.354 10.823 8.606 1.00 0.32 H new ATOM 0 HD11 LEU A 44 5.413 8.555 8.333 1.00 0.56 H new ATOM 0 HD12 LEU A 44 5.417 9.469 6.806 1.00 0.56 H new ATOM 0 HD13 LEU A 44 6.637 8.204 7.090 1.00 0.56 H new ATOM 0 HD21 LEU A 44 7.181 8.889 10.002 1.00 0.61 H new ATOM 0 HD22 LEU A 44 8.480 8.616 8.817 1.00 0.61 H new ATOM 0 HD23 LEU A 44 8.448 10.117 9.773 1.00 0.61 H new ATOM 740 N ASP A 45 9.519 13.344 8.654 1.00 0.32 N ATOM 741 CA ASP A 45 10.140 13.789 9.939 1.00 0.38 C ATOM 742 C ASP A 45 9.051 14.243 10.914 1.00 0.38 C ATOM 743 O ASP A 45 9.156 14.050 12.109 1.00 0.40 O ATOM 744 CB ASP A 45 11.091 14.954 9.661 1.00 0.43 C ATOM 745 CG ASP A 45 11.156 15.868 10.886 1.00 1.23 C ATOM 746 OD1 ASP A 45 11.667 15.428 11.903 1.00 2.01 O ATOM 747 OD2 ASP A 45 10.692 16.992 10.786 1.00 1.97 O ATOM 0 H ASP A 45 10.034 13.612 7.815 1.00 0.32 H new ATOM 0 HA ASP A 45 10.691 12.959 10.380 1.00 0.38 H new ATOM 0 HB2 ASP A 45 12.085 14.576 9.424 1.00 0.43 H new ATOM 0 HB3 ASP A 45 10.748 15.517 8.793 1.00 0.43 H new ATOM 752 N GLU A 46 7.994 14.826 10.414 1.00 0.37 N ATOM 753 CA GLU A 46 6.896 15.264 11.323 1.00 0.38 C ATOM 754 C GLU A 46 6.223 14.022 11.922 1.00 0.36 C ATOM 755 O GLU A 46 5.955 13.959 13.106 1.00 0.41 O ATOM 756 CB GLU A 46 5.866 16.070 10.530 1.00 0.42 C ATOM 757 CG GLU A 46 6.546 17.288 9.901 1.00 0.56 C ATOM 758 CD GLU A 46 5.491 18.173 9.235 1.00 1.26 C ATOM 759 OE1 GLU A 46 4.335 18.065 9.608 1.00 2.01 O ATOM 760 OE2 GLU A 46 5.860 18.950 8.370 1.00 1.89 O ATOM 0 H GLU A 46 7.844 15.017 9.423 1.00 0.37 H new ATOM 0 HA GLU A 46 7.302 15.887 12.120 1.00 0.38 H new ATOM 0 HB2 GLU A 46 5.421 15.448 9.754 1.00 0.42 H new ATOM 0 HB3 GLU A 46 5.056 16.390 11.185 1.00 0.42 H new ATOM 0 HG2 GLU A 46 7.082 17.853 10.664 1.00 0.56 H new ATOM 0 HG3 GLU A 46 7.284 16.967 9.166 1.00 0.56 H new ATOM 767 N GLY A 47 5.968 13.026 11.112 1.00 0.34 N ATOM 768 CA GLY A 47 5.334 11.776 11.629 1.00 0.38 C ATOM 769 C GLY A 47 3.853 12.013 11.947 1.00 0.40 C ATOM 770 O GLY A 47 3.263 11.288 12.725 1.00 0.46 O ATOM 0 H GLY A 47 6.172 13.025 10.113 1.00 0.34 H new ATOM 0 HA2 GLY A 47 5.430 10.981 10.890 1.00 0.38 H new ATOM 0 HA3 GLY A 47 5.855 11.442 12.526 1.00 0.38 H new ATOM 774 N GLN A 48 3.254 13.023 11.366 1.00 0.39 N ATOM 775 CA GLN A 48 1.812 13.318 11.649 1.00 0.45 C ATOM 776 C GLN A 48 0.914 12.866 10.488 1.00 0.43 C ATOM 777 O GLN A 48 -0.296 12.915 10.596 1.00 0.60 O ATOM 778 CB GLN A 48 1.646 14.825 11.851 1.00 0.51 C ATOM 779 CG GLN A 48 2.051 15.560 10.571 1.00 0.61 C ATOM 780 CD GLN A 48 2.078 17.066 10.836 1.00 1.07 C ATOM 781 OE1 GLN A 48 2.553 17.506 11.864 1.00 1.70 O ATOM 782 NE2 GLN A 48 1.582 17.881 9.946 1.00 1.81 N ATOM 0 H GLN A 48 3.702 13.659 10.706 1.00 0.39 H new ATOM 0 HA GLN A 48 1.516 12.773 12.545 1.00 0.45 H new ATOM 0 HB2 GLN A 48 0.611 15.057 12.104 1.00 0.51 H new ATOM 0 HB3 GLN A 48 2.261 15.161 12.686 1.00 0.51 H new ATOM 0 HG2 GLN A 48 3.032 15.221 10.239 1.00 0.61 H new ATOM 0 HG3 GLN A 48 1.347 15.333 9.770 1.00 0.61 H new ATOM 0 HE21 GLN A 48 1.183 17.512 9.083 1.00 1.81 H new ATOM 0 HE22 GLN A 48 1.593 18.887 10.113 1.00 1.81 H new ATOM 791 N LYS A 49 1.494 12.444 9.385 1.00 0.32 N ATOM 792 CA LYS A 49 0.679 12.000 8.201 1.00 0.31 C ATOM 793 C LYS A 49 1.047 10.546 7.848 1.00 0.28 C ATOM 794 O LYS A 49 1.071 10.143 6.701 1.00 0.34 O ATOM 795 CB LYS A 49 0.877 12.940 6.959 1.00 0.37 C ATOM 796 CG LYS A 49 2.105 13.896 7.044 1.00 0.71 C ATOM 797 CD LYS A 49 3.217 13.443 6.080 1.00 0.78 C ATOM 798 CE LYS A 49 3.800 12.094 6.508 1.00 1.01 C ATOM 799 NZ LYS A 49 4.231 12.154 7.933 1.00 1.91 N ATOM 0 H LYS A 49 2.504 12.387 9.253 1.00 0.32 H new ATOM 0 HA LYS A 49 -0.375 12.058 8.472 1.00 0.31 H new ATOM 0 HB2 LYS A 49 0.978 12.322 6.067 1.00 0.37 H new ATOM 0 HB3 LYS A 49 -0.023 13.541 6.830 1.00 0.37 H new ATOM 0 HG2 LYS A 49 1.798 14.913 6.800 1.00 0.71 H new ATOM 0 HG3 LYS A 49 2.487 13.915 8.065 1.00 0.71 H new ATOM 0 HD2 LYS A 49 2.817 13.366 5.069 1.00 0.78 H new ATOM 0 HD3 LYS A 49 4.008 14.193 6.054 1.00 0.78 H new ATOM 0 HE2 LYS A 49 3.055 11.309 6.378 1.00 1.01 H new ATOM 0 HE3 LYS A 49 4.648 11.837 5.873 1.00 1.01 H new ATOM 0 HZ1 LYS A 49 5.209 11.810 8.015 1.00 1.91 H new ATOM 0 HZ2 LYS A 49 4.180 13.137 8.270 1.00 1.91 H new ATOM 0 HZ3 LYS A 49 3.605 11.557 8.510 1.00 1.91 H new ATOM 813 N LYS A 50 1.310 9.744 8.840 1.00 0.28 N ATOM 814 CA LYS A 50 1.659 8.320 8.587 1.00 0.32 C ATOM 815 C LYS A 50 0.416 7.456 8.823 1.00 0.33 C ATOM 816 O LYS A 50 -0.086 7.389 9.928 1.00 0.39 O ATOM 817 CB LYS A 50 2.751 7.919 9.572 1.00 0.45 C ATOM 818 CG LYS A 50 3.507 6.690 9.057 1.00 0.73 C ATOM 819 CD LYS A 50 2.552 5.493 8.958 1.00 0.69 C ATOM 820 CE LYS A 50 3.352 4.188 8.988 1.00 1.15 C ATOM 821 NZ LYS A 50 3.366 3.646 10.376 1.00 1.80 N ATOM 0 H LYS A 50 1.298 10.016 9.823 1.00 0.28 H new ATOM 0 HA LYS A 50 2.007 8.183 7.563 1.00 0.32 H new ATOM 0 HB2 LYS A 50 3.445 8.748 9.714 1.00 0.45 H new ATOM 0 HB3 LYS A 50 2.311 7.702 10.545 1.00 0.45 H new ATOM 0 HG2 LYS A 50 3.941 6.902 8.080 1.00 0.73 H new ATOM 0 HG3 LYS A 50 4.333 6.453 9.728 1.00 0.73 H new ATOM 0 HD2 LYS A 50 1.841 5.514 9.784 1.00 0.69 H new ATOM 0 HD3 LYS A 50 1.972 5.554 8.037 1.00 0.69 H new ATOM 0 HE2 LYS A 50 2.909 3.462 8.307 1.00 1.15 H new ATOM 0 HE3 LYS A 50 4.371 4.366 8.645 1.00 1.15 H new ATOM 0 HZ1 LYS A 50 3.909 2.759 10.397 1.00 1.80 H new ATOM 0 HZ2 LYS A 50 3.808 4.338 11.014 1.00 1.80 H new ATOM 0 HZ3 LYS A 50 2.391 3.462 10.687 1.00 1.80 H new ATOM 835 N VAL A 51 -0.090 6.796 7.807 1.00 0.28 N ATOM 836 CA VAL A 51 -1.304 5.942 8.008 1.00 0.30 C ATOM 837 C VAL A 51 -1.246 4.693 7.108 1.00 0.28 C ATOM 838 O VAL A 51 -0.531 4.652 6.130 1.00 0.32 O ATOM 839 CB VAL A 51 -2.570 6.748 7.694 1.00 0.33 C ATOM 840 CG1 VAL A 51 -3.797 5.846 7.861 1.00 0.37 C ATOM 841 CG2 VAL A 51 -2.670 7.934 8.660 1.00 0.38 C ATOM 0 H VAL A 51 0.281 6.811 6.857 1.00 0.28 H new ATOM 0 HA VAL A 51 -1.329 5.620 9.049 1.00 0.30 H new ATOM 0 HB VAL A 51 -2.526 7.118 6.670 1.00 0.33 H new ATOM 0 HG11 VAL A 51 -4.700 6.415 7.639 1.00 0.37 H new ATOM 0 HG12 VAL A 51 -3.723 5.001 7.177 1.00 0.37 H new ATOM 0 HG13 VAL A 51 -3.842 5.480 8.887 1.00 0.37 H new ATOM 0 HG21 VAL A 51 -3.569 8.509 8.439 1.00 0.38 H new ATOM 0 HG22 VAL A 51 -2.718 7.566 9.685 1.00 0.38 H new ATOM 0 HG23 VAL A 51 -1.794 8.572 8.544 1.00 0.38 H new ATOM 851 N VAL A 52 -1.999 3.673 7.447 1.00 0.27 N ATOM 852 CA VAL A 52 -2.013 2.415 6.628 1.00 0.27 C ATOM 853 C VAL A 52 -3.453 2.090 6.209 1.00 0.28 C ATOM 854 O VAL A 52 -4.358 2.100 7.020 1.00 0.30 O ATOM 855 CB VAL A 52 -1.446 1.272 7.466 1.00 0.31 C ATOM 856 CG1 VAL A 52 -1.654 -0.057 6.738 1.00 1.23 C ATOM 857 CG2 VAL A 52 0.051 1.503 7.688 1.00 1.14 C ATOM 0 H VAL A 52 -2.610 3.657 8.263 1.00 0.27 H new ATOM 0 HA VAL A 52 -1.405 2.549 5.733 1.00 0.27 H new ATOM 0 HB VAL A 52 -1.960 1.238 8.427 1.00 0.31 H new ATOM 0 HG11 VAL A 52 -1.248 -0.869 7.340 1.00 1.23 H new ATOM 0 HG12 VAL A 52 -2.720 -0.222 6.579 1.00 1.23 H new ATOM 0 HG13 VAL A 52 -1.143 -0.028 5.775 1.00 1.23 H new ATOM 0 HG21 VAL A 52 0.460 0.689 8.286 1.00 1.14 H new ATOM 0 HG22 VAL A 52 0.561 1.537 6.725 1.00 1.14 H new ATOM 0 HG23 VAL A 52 0.200 2.448 8.211 1.00 1.14 H new ATOM 867 N LEU A 53 -3.664 1.817 4.941 1.00 0.28 N ATOM 868 CA LEU A 53 -5.045 1.502 4.433 1.00 0.30 C ATOM 869 C LEU A 53 -5.047 0.184 3.647 1.00 0.28 C ATOM 870 O LEU A 53 -4.020 -0.421 3.427 1.00 0.28 O ATOM 871 CB LEU A 53 -5.503 2.623 3.499 1.00 0.32 C ATOM 872 CG LEU A 53 -5.566 3.949 4.261 1.00 0.39 C ATOM 873 CD1 LEU A 53 -5.936 5.066 3.286 1.00 0.52 C ATOM 874 CD2 LEU A 53 -6.623 3.870 5.373 1.00 0.49 C ATOM 0 H LEU A 53 -2.934 1.798 4.229 1.00 0.28 H new ATOM 0 HA LEU A 53 -5.716 1.411 5.287 1.00 0.30 H new ATOM 0 HB2 LEU A 53 -4.815 2.710 2.658 1.00 0.32 H new ATOM 0 HB3 LEU A 53 -6.483 2.385 3.086 1.00 0.32 H new ATOM 0 HG LEU A 53 -4.595 4.153 4.711 1.00 0.39 H new ATOM 0 HD11 LEU A 53 -5.983 6.015 3.821 1.00 0.52 H new ATOM 0 HD12 LEU A 53 -5.182 5.129 2.501 1.00 0.52 H new ATOM 0 HD13 LEU A 53 -6.907 4.852 2.840 1.00 0.52 H new ATOM 0 HD21 LEU A 53 -6.659 4.819 5.909 1.00 0.49 H new ATOM 0 HD22 LEU A 53 -7.599 3.664 4.933 1.00 0.49 H new ATOM 0 HD23 LEU A 53 -6.362 3.071 6.067 1.00 0.49 H new ATOM 886 N LYS A 54 -6.206 -0.255 3.214 1.00 0.31 N ATOM 887 CA LYS A 54 -6.296 -1.520 2.419 1.00 0.31 C ATOM 888 C LYS A 54 -6.374 -1.191 0.927 1.00 0.30 C ATOM 889 O LYS A 54 -6.692 -0.086 0.537 1.00 0.36 O ATOM 890 CB LYS A 54 -7.536 -2.324 2.828 1.00 0.37 C ATOM 891 CG LYS A 54 -7.231 -3.171 4.069 1.00 1.06 C ATOM 892 CD LYS A 54 -8.451 -4.036 4.400 1.00 1.48 C ATOM 893 CE LYS A 54 -8.141 -4.938 5.599 1.00 2.19 C ATOM 894 NZ LYS A 54 -8.435 -4.206 6.862 1.00 2.92 N ATOM 0 H LYS A 54 -7.098 0.212 3.379 1.00 0.31 H new ATOM 0 HA LYS A 54 -5.406 -2.117 2.617 1.00 0.31 H new ATOM 0 HB2 LYS A 54 -8.365 -1.648 3.035 1.00 0.37 H new ATOM 0 HB3 LYS A 54 -7.848 -2.969 2.006 1.00 0.37 H new ATOM 0 HG2 LYS A 54 -6.361 -3.802 3.888 1.00 1.06 H new ATOM 0 HG3 LYS A 54 -6.987 -2.526 4.913 1.00 1.06 H new ATOM 0 HD2 LYS A 54 -9.308 -3.401 4.624 1.00 1.48 H new ATOM 0 HD3 LYS A 54 -8.722 -4.644 3.537 1.00 1.48 H new ATOM 0 HE2 LYS A 54 -8.738 -5.848 5.547 1.00 2.19 H new ATOM 0 HE3 LYS A 54 -7.094 -5.242 5.578 1.00 2.19 H new ATOM 0 HZ1 LYS A 54 -8.224 -4.819 7.675 1.00 2.92 H new ATOM 0 HZ2 LYS A 54 -7.847 -3.350 6.912 1.00 2.92 H new ATOM 0 HZ3 LYS A 54 -9.440 -3.937 6.882 1.00 2.92 H new ATOM 908 N VAL A 55 -6.070 -2.148 0.092 1.00 0.32 N ATOM 909 CA VAL A 55 -6.106 -1.906 -1.380 1.00 0.36 C ATOM 910 C VAL A 55 -7.450 -2.350 -1.955 1.00 0.32 C ATOM 911 O VAL A 55 -8.030 -3.328 -1.527 1.00 0.38 O ATOM 912 CB VAL A 55 -4.995 -2.717 -2.040 1.00 0.55 C ATOM 913 CG1 VAL A 55 -5.127 -2.653 -3.562 1.00 0.95 C ATOM 914 CG2 VAL A 55 -3.636 -2.151 -1.626 1.00 1.28 C ATOM 0 H VAL A 55 -5.797 -3.091 0.367 1.00 0.32 H new ATOM 0 HA VAL A 55 -5.968 -0.842 -1.572 1.00 0.36 H new ATOM 0 HB VAL A 55 -5.077 -3.755 -1.719 1.00 0.55 H new ATOM 0 HG11 VAL A 55 -4.328 -3.236 -4.021 1.00 0.95 H new ATOM 0 HG12 VAL A 55 -6.092 -3.062 -3.861 1.00 0.95 H new ATOM 0 HG13 VAL A 55 -5.054 -1.616 -3.890 1.00 0.95 H new ATOM 0 HG21 VAL A 55 -2.842 -2.730 -2.097 1.00 1.28 H new ATOM 0 HG22 VAL A 55 -3.563 -1.111 -1.943 1.00 1.28 H new ATOM 0 HG23 VAL A 55 -3.533 -2.208 -0.542 1.00 1.28 H new ATOM 924 N LYS A 56 -7.944 -1.639 -2.931 1.00 0.34 N ATOM 925 CA LYS A 56 -9.245 -2.018 -3.547 1.00 0.42 C ATOM 926 C LYS A 56 -9.040 -3.160 -4.551 1.00 0.45 C ATOM 927 O LYS A 56 -9.777 -4.126 -4.559 1.00 0.56 O ATOM 928 CB LYS A 56 -9.867 -0.801 -4.255 1.00 0.54 C ATOM 929 CG LYS A 56 -8.829 -0.094 -5.146 1.00 0.54 C ATOM 930 CD LYS A 56 -8.655 1.363 -4.704 1.00 0.72 C ATOM 931 CE LYS A 56 -9.925 2.157 -5.021 1.00 1.65 C ATOM 932 NZ LYS A 56 -10.229 3.077 -3.889 1.00 2.39 N ATOM 0 H LYS A 56 -7.501 -0.811 -3.329 1.00 0.34 H new ATOM 0 HA LYS A 56 -9.922 -2.355 -2.762 1.00 0.42 H new ATOM 0 HB2 LYS A 56 -10.714 -1.122 -4.861 1.00 0.54 H new ATOM 0 HB3 LYS A 56 -10.252 -0.101 -3.513 1.00 0.54 H new ATOM 0 HG2 LYS A 56 -7.874 -0.616 -5.088 1.00 0.54 H new ATOM 0 HG3 LYS A 56 -9.149 -0.130 -6.187 1.00 0.54 H new ATOM 0 HD2 LYS A 56 -8.446 1.406 -3.635 1.00 0.72 H new ATOM 0 HD3 LYS A 56 -7.800 1.808 -5.214 1.00 0.72 H new ATOM 0 HE2 LYS A 56 -9.791 2.726 -5.941 1.00 1.65 H new ATOM 0 HE3 LYS A 56 -10.761 1.477 -5.186 1.00 1.65 H new ATOM 0 HZ1 LYS A 56 -10.974 3.745 -4.175 1.00 2.39 H new ATOM 0 HZ2 LYS A 56 -10.555 2.524 -3.070 1.00 2.39 H new ATOM 0 HZ3 LYS A 56 -9.371 3.605 -3.631 1.00 2.39 H new ATOM 946 N SER A 57 -8.047 -3.066 -5.395 1.00 0.40 N ATOM 947 CA SER A 57 -7.806 -4.155 -6.386 1.00 0.45 C ATOM 948 C SER A 57 -6.352 -4.104 -6.866 1.00 0.39 C ATOM 949 O SER A 57 -5.777 -3.045 -7.022 1.00 0.37 O ATOM 950 CB SER A 57 -8.742 -3.973 -7.581 1.00 0.56 C ATOM 951 OG SER A 57 -9.256 -5.240 -7.971 1.00 1.41 O ATOM 0 H SER A 57 -7.394 -2.284 -5.441 1.00 0.40 H new ATOM 0 HA SER A 57 -7.998 -5.119 -5.915 1.00 0.45 H new ATOM 0 HB2 SER A 57 -9.559 -3.301 -7.319 1.00 0.56 H new ATOM 0 HB3 SER A 57 -8.206 -3.514 -8.411 1.00 0.56 H new ATOM 0 HG SER A 57 -9.858 -5.127 -8.736 1.00 1.41 H new ATOM 957 N LEU A 58 -5.754 -5.240 -7.102 1.00 0.40 N ATOM 958 CA LEU A 58 -4.338 -5.257 -7.573 1.00 0.39 C ATOM 959 C LEU A 58 -4.201 -4.423 -8.853 1.00 0.35 C ATOM 960 O LEU A 58 -3.247 -3.692 -9.027 1.00 0.34 O ATOM 961 CB LEU A 58 -3.930 -6.702 -7.881 1.00 0.46 C ATOM 962 CG LEU A 58 -2.417 -6.779 -8.119 1.00 0.47 C ATOM 963 CD1 LEU A 58 -1.716 -7.240 -6.840 1.00 1.01 C ATOM 964 CD2 LEU A 58 -2.130 -7.776 -9.245 1.00 1.02 C ATOM 0 H LEU A 58 -6.184 -6.158 -6.989 1.00 0.40 H new ATOM 0 HA LEU A 58 -3.698 -4.839 -6.796 1.00 0.39 H new ATOM 0 HB2 LEU A 58 -4.210 -7.352 -7.052 1.00 0.46 H new ATOM 0 HB3 LEU A 58 -4.464 -7.060 -8.761 1.00 0.46 H new ATOM 0 HG LEU A 58 -2.045 -5.793 -8.399 1.00 0.47 H new ATOM 0 HD11 LEU A 58 -0.641 -7.293 -7.013 1.00 1.01 H new ATOM 0 HD12 LEU A 58 -1.919 -6.531 -6.038 1.00 1.01 H new ATOM 0 HD13 LEU A 58 -2.087 -8.225 -6.556 1.00 1.01 H new ATOM 0 HD21 LEU A 58 -1.055 -7.832 -9.416 1.00 1.02 H new ATOM 0 HD22 LEU A 58 -2.505 -8.760 -8.964 1.00 1.02 H new ATOM 0 HD23 LEU A 58 -2.626 -7.446 -10.158 1.00 1.02 H new ATOM 976 N GLU A 59 -5.136 -4.540 -9.756 1.00 0.36 N ATOM 977 CA GLU A 59 -5.041 -3.767 -11.030 1.00 0.35 C ATOM 978 C GLU A 59 -5.093 -2.267 -10.740 1.00 0.31 C ATOM 979 O GLU A 59 -4.340 -1.492 -11.297 1.00 0.30 O ATOM 980 CB GLU A 59 -6.209 -4.147 -11.944 1.00 0.40 C ATOM 981 CG GLU A 59 -6.014 -3.506 -13.321 1.00 1.03 C ATOM 982 CD GLU A 59 -7.224 -3.815 -14.205 1.00 1.29 C ATOM 983 OE1 GLU A 59 -8.266 -4.138 -13.658 1.00 1.76 O ATOM 984 OE2 GLU A 59 -7.089 -3.717 -15.414 1.00 1.87 O ATOM 0 H GLU A 59 -5.960 -5.135 -9.669 1.00 0.36 H new ATOM 0 HA GLU A 59 -4.096 -4.003 -11.520 1.00 0.35 H new ATOM 0 HB2 GLU A 59 -6.270 -5.231 -12.042 1.00 0.40 H new ATOM 0 HB3 GLU A 59 -7.150 -3.813 -11.506 1.00 0.40 H new ATOM 0 HG2 GLU A 59 -5.892 -2.428 -13.218 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -5.104 -3.887 -13.785 1.00 1.03 H new ATOM 991 N GLU A 60 -5.974 -1.846 -9.877 1.00 0.31 N ATOM 992 CA GLU A 60 -6.066 -0.394 -9.562 1.00 0.30 C ATOM 993 C GLU A 60 -4.779 0.057 -8.871 1.00 0.26 C ATOM 994 O GLU A 60 -4.286 1.142 -9.100 1.00 0.28 O ATOM 995 CB GLU A 60 -7.262 -0.153 -8.634 1.00 0.34 C ATOM 996 CG GLU A 60 -7.472 1.352 -8.428 1.00 0.46 C ATOM 997 CD GLU A 60 -7.918 1.992 -9.744 1.00 1.57 C ATOM 998 OE1 GLU A 60 -8.474 1.283 -10.566 1.00 2.29 O ATOM 999 OE2 GLU A 60 -7.697 3.181 -9.906 1.00 2.28 O ATOM 0 H GLU A 60 -6.633 -2.443 -9.377 1.00 0.31 H new ATOM 0 HA GLU A 60 -6.200 0.175 -10.482 1.00 0.30 H new ATOM 0 HB2 GLU A 60 -8.160 -0.599 -9.062 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -7.091 -0.639 -7.674 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -8.222 1.523 -7.656 1.00 0.46 H new ATOM 0 HG3 GLU A 60 -6.548 1.815 -8.082 1.00 0.46 H new ATOM 1006 N LEU A 61 -4.237 -0.764 -8.019 1.00 0.25 N ATOM 1007 CA LEU A 61 -2.990 -0.379 -7.302 1.00 0.24 C ATOM 1008 C LEU A 61 -1.811 -0.298 -8.277 1.00 0.25 C ATOM 1009 O LEU A 61 -1.093 0.679 -8.320 1.00 0.34 O ATOM 1010 CB LEU A 61 -2.707 -1.429 -6.225 1.00 0.29 C ATOM 1011 CG LEU A 61 -1.337 -1.197 -5.581 1.00 0.39 C ATOM 1012 CD1 LEU A 61 -1.235 0.240 -5.081 1.00 0.66 C ATOM 1013 CD2 LEU A 61 -1.183 -2.151 -4.399 1.00 0.46 C ATOM 0 H LEU A 61 -4.603 -1.687 -7.787 1.00 0.25 H new ATOM 0 HA LEU A 61 -3.119 0.603 -6.846 1.00 0.24 H new ATOM 0 HB2 LEU A 61 -3.483 -1.390 -5.461 1.00 0.29 H new ATOM 0 HB3 LEU A 61 -2.742 -2.426 -6.665 1.00 0.29 H new ATOM 0 HG LEU A 61 -0.553 -1.376 -6.316 1.00 0.39 H new ATOM 0 HD11 LEU A 61 -0.258 0.398 -4.624 1.00 0.66 H new ATOM 0 HD12 LEU A 61 -1.359 0.926 -5.919 1.00 0.66 H new ATOM 0 HD13 LEU A 61 -2.015 0.424 -4.342 1.00 0.66 H new ATOM 0 HD21 LEU A 61 -0.211 -1.996 -3.931 1.00 0.46 H new ATOM 0 HD22 LEU A 61 -1.971 -1.959 -3.671 1.00 0.46 H new ATOM 0 HD23 LEU A 61 -1.257 -3.180 -4.750 1.00 0.46 H new ATOM 1025 N LEU A 62 -1.595 -1.318 -9.050 1.00 0.24 N ATOM 1026 CA LEU A 62 -0.457 -1.289 -10.006 1.00 0.26 C ATOM 1027 C LEU A 62 -0.614 -0.086 -10.939 1.00 0.24 C ATOM 1028 O LEU A 62 0.353 0.501 -11.382 1.00 0.27 O ATOM 1029 CB LEU A 62 -0.454 -2.581 -10.829 1.00 0.31 C ATOM 1030 CG LEU A 62 0.833 -2.671 -11.653 1.00 0.39 C ATOM 1031 CD1 LEU A 62 1.654 -3.873 -11.185 1.00 0.89 C ATOM 1032 CD2 LEU A 62 0.478 -2.842 -13.132 1.00 0.78 C ATOM 0 H LEU A 62 -2.155 -2.170 -9.063 1.00 0.24 H new ATOM 0 HA LEU A 62 0.482 -1.206 -9.460 1.00 0.26 H new ATOM 0 HB2 LEU A 62 -0.534 -3.444 -10.168 1.00 0.31 H new ATOM 0 HB3 LEU A 62 -1.321 -2.604 -11.489 1.00 0.31 H new ATOM 0 HG LEU A 62 1.415 -1.759 -11.520 1.00 0.39 H new ATOM 0 HD11 LEU A 62 2.571 -3.938 -11.771 1.00 0.89 H new ATOM 0 HD12 LEU A 62 1.905 -3.754 -10.131 1.00 0.89 H new ATOM 0 HD13 LEU A 62 1.072 -4.785 -11.319 1.00 0.89 H new ATOM 0 HD21 LEU A 62 1.393 -2.906 -13.721 1.00 0.78 H new ATOM 0 HD22 LEU A 62 -0.103 -3.755 -13.264 1.00 0.78 H new ATOM 0 HD23 LEU A 62 -0.109 -1.987 -13.466 1.00 0.78 H new ATOM 1044 N GLY A 63 -1.829 0.270 -11.256 1.00 0.23 N ATOM 1045 CA GLY A 63 -2.062 1.419 -12.179 1.00 0.25 C ATOM 1046 C GLY A 63 -1.810 2.764 -11.481 1.00 0.22 C ATOM 1047 O GLY A 63 -1.120 3.616 -12.005 1.00 0.23 O ATOM 0 H GLY A 63 -2.674 -0.187 -10.914 1.00 0.23 H new ATOM 0 HA2 GLY A 63 -1.407 1.329 -13.045 1.00 0.25 H new ATOM 0 HA3 GLY A 63 -3.087 1.387 -12.550 1.00 0.25 H new ATOM 1051 N ILE A 64 -2.383 2.986 -10.326 1.00 0.20 N ATOM 1052 CA ILE A 64 -2.185 4.303 -9.646 1.00 0.19 C ATOM 1053 C ILE A 64 -0.763 4.429 -9.093 1.00 0.18 C ATOM 1054 O ILE A 64 -0.176 5.492 -9.140 1.00 0.20 O ATOM 1055 CB ILE A 64 -3.201 4.462 -8.512 1.00 0.21 C ATOM 1056 CG1 ILE A 64 -2.969 3.368 -7.460 1.00 0.23 C ATOM 1057 CG2 ILE A 64 -4.614 4.341 -9.098 1.00 0.26 C ATOM 1058 CD1 ILE A 64 -2.199 3.932 -6.256 1.00 0.25 C ATOM 0 H ILE A 64 -2.974 2.320 -9.828 1.00 0.20 H new ATOM 0 HA ILE A 64 -2.336 5.093 -10.382 1.00 0.19 H new ATOM 0 HB ILE A 64 -3.086 5.436 -8.036 1.00 0.21 H new ATOM 0 HG12 ILE A 64 -3.926 2.964 -7.130 1.00 0.23 H new ATOM 0 HG13 ILE A 64 -2.410 2.543 -7.902 1.00 0.23 H new ATOM 0 HG21 ILE A 64 -5.349 4.452 -8.301 1.00 0.26 H new ATOM 0 HG22 ILE A 64 -4.767 5.121 -9.844 1.00 0.26 H new ATOM 0 HG23 ILE A 64 -4.731 3.364 -9.566 1.00 0.26 H new ATOM 0 HD11 ILE A 64 -2.044 3.142 -5.521 1.00 0.25 H new ATOM 0 HD12 ILE A 64 -1.233 4.313 -6.588 1.00 0.25 H new ATOM 0 HD13 ILE A 64 -2.773 4.741 -5.804 1.00 0.25 H new ATOM 1070 N LYS A 65 -0.188 3.377 -8.572 1.00 0.23 N ATOM 1071 CA LYS A 65 1.198 3.513 -8.041 1.00 0.29 C ATOM 1072 C LYS A 65 2.090 4.001 -9.176 1.00 0.25 C ATOM 1073 O LYS A 65 2.966 4.821 -8.985 1.00 0.27 O ATOM 1074 CB LYS A 65 1.696 2.169 -7.481 1.00 0.45 C ATOM 1075 CG LYS A 65 2.187 1.244 -8.610 1.00 0.71 C ATOM 1076 CD LYS A 65 3.624 1.582 -9.055 1.00 0.40 C ATOM 1077 CE LYS A 65 4.505 0.345 -8.875 1.00 0.58 C ATOM 1078 NZ LYS A 65 5.891 0.650 -9.331 1.00 1.46 N ATOM 0 H LYS A 65 -0.607 2.450 -8.492 1.00 0.23 H new ATOM 0 HA LYS A 65 1.221 4.230 -7.221 1.00 0.29 H new ATOM 0 HB2 LYS A 65 2.506 2.345 -6.773 1.00 0.45 H new ATOM 0 HB3 LYS A 65 0.892 1.681 -6.931 1.00 0.45 H new ATOM 0 HG2 LYS A 65 2.147 0.208 -8.272 1.00 0.71 H new ATOM 0 HG3 LYS A 65 1.515 1.327 -9.464 1.00 0.71 H new ATOM 0 HD2 LYS A 65 3.630 1.900 -10.098 1.00 0.40 H new ATOM 0 HD3 LYS A 65 4.015 2.412 -8.466 1.00 0.40 H new ATOM 0 HE2 LYS A 65 4.514 0.041 -7.828 1.00 0.58 H new ATOM 0 HE3 LYS A 65 4.099 -0.490 -9.446 1.00 0.58 H new ATOM 0 HZ1 LYS A 65 6.490 -0.191 -9.208 1.00 1.46 H new ATOM 0 HZ2 LYS A 65 5.875 0.920 -10.335 1.00 1.46 H new ATOM 0 HZ3 LYS A 65 6.277 1.435 -8.768 1.00 1.46 H new ATOM 1092 N HIS A 66 1.853 3.526 -10.367 1.00 0.23 N ATOM 1093 CA HIS A 66 2.661 3.989 -11.521 1.00 0.25 C ATOM 1094 C HIS A 66 2.354 5.468 -11.740 1.00 0.24 C ATOM 1095 O HIS A 66 3.231 6.268 -11.998 1.00 0.27 O ATOM 1096 CB HIS A 66 2.287 3.182 -12.767 1.00 0.29 C ATOM 1097 CG HIS A 66 3.389 3.294 -13.784 1.00 1.05 C ATOM 1098 ND1 HIS A 66 4.727 3.246 -13.427 1.00 2.00 N ATOM 1099 CD2 HIS A 66 3.369 3.437 -15.149 1.00 1.74 C ATOM 1100 CE1 HIS A 66 5.451 3.358 -14.555 1.00 2.55 C ATOM 1101 NE2 HIS A 66 4.673 3.477 -15.634 1.00 2.37 N ATOM 0 H HIS A 66 1.134 2.837 -10.588 1.00 0.23 H new ATOM 0 HA HIS A 66 3.725 3.850 -11.329 1.00 0.25 H new ATOM 0 HB2 HIS A 66 2.126 2.137 -12.502 1.00 0.29 H new ATOM 0 HB3 HIS A 66 1.351 3.552 -13.186 1.00 0.29 H new ATOM 0 HD2 HIS A 66 2.477 3.508 -15.754 1.00 1.74 H new ATOM 0 HE1 HIS A 66 6.531 3.352 -14.585 1.00 2.55 H new ATOM 0 HE2 HIS A 66 4.970 3.576 -16.605 1.00 2.37 H new ATOM 1109 N LYS A 67 1.105 5.839 -11.616 1.00 0.23 N ATOM 1110 CA LYS A 67 0.732 7.268 -11.791 1.00 0.26 C ATOM 1111 C LYS A 67 1.459 8.095 -10.734 1.00 0.26 C ATOM 1112 O LYS A 67 1.989 9.150 -11.014 1.00 0.29 O ATOM 1113 CB LYS A 67 -0.782 7.433 -11.622 1.00 0.28 C ATOM 1114 CG LYS A 67 -1.168 8.895 -11.874 1.00 0.39 C ATOM 1115 CD LYS A 67 -2.690 9.062 -11.777 1.00 0.62 C ATOM 1116 CE LYS A 67 -3.054 9.765 -10.466 1.00 1.07 C ATOM 1117 NZ LYS A 67 -4.531 9.957 -10.402 1.00 1.88 N ATOM 0 H LYS A 67 0.330 5.211 -11.401 1.00 0.23 H new ATOM 0 HA LYS A 67 1.015 7.605 -12.788 1.00 0.26 H new ATOM 0 HB2 LYS A 67 -1.310 6.781 -12.318 1.00 0.28 H new ATOM 0 HB3 LYS A 67 -1.081 7.135 -10.617 1.00 0.28 H new ATOM 0 HG2 LYS A 67 -0.676 9.540 -11.146 1.00 0.39 H new ATOM 0 HG3 LYS A 67 -0.822 9.206 -12.860 1.00 0.39 H new ATOM 0 HD2 LYS A 67 -3.056 9.642 -12.625 1.00 0.62 H new ATOM 0 HD3 LYS A 67 -3.175 8.087 -11.824 1.00 0.62 H new ATOM 0 HE2 LYS A 67 -2.716 9.172 -9.616 1.00 1.07 H new ATOM 0 HE3 LYS A 67 -2.548 10.728 -10.404 1.00 1.07 H new ATOM 0 HZ1 LYS A 67 -4.781 10.434 -9.512 1.00 1.88 H new ATOM 0 HZ2 LYS A 67 -4.841 10.539 -11.206 1.00 1.88 H new ATOM 0 HZ3 LYS A 67 -5.003 9.031 -10.443 1.00 1.88 H new ATOM 1131 N ALA A 68 1.501 7.619 -9.518 1.00 0.24 N ATOM 1132 CA ALA A 68 2.212 8.382 -8.457 1.00 0.26 C ATOM 1133 C ALA A 68 3.699 8.438 -8.808 1.00 0.26 C ATOM 1134 O ALA A 68 4.319 9.479 -8.760 1.00 0.29 O ATOM 1135 CB ALA A 68 2.017 7.688 -7.106 1.00 0.26 C ATOM 0 H ALA A 68 1.077 6.742 -9.217 1.00 0.24 H new ATOM 0 HA ALA A 68 1.812 9.394 -8.391 1.00 0.26 H new ATOM 0 HB1 ALA A 68 2.539 8.249 -6.330 1.00 0.26 H new ATOM 0 HB2 ALA A 68 0.954 7.644 -6.869 1.00 0.26 H new ATOM 0 HB3 ALA A 68 2.419 6.676 -7.155 1.00 0.26 H new ATOM 1141 N GLU A 69 4.273 7.327 -9.176 1.00 0.24 N ATOM 1142 CA GLU A 69 5.716 7.318 -9.549 1.00 0.26 C ATOM 1143 C GLU A 69 5.943 8.256 -10.743 1.00 0.30 C ATOM 1144 O GLU A 69 7.040 8.720 -10.984 1.00 0.34 O ATOM 1145 CB GLU A 69 6.139 5.897 -9.930 1.00 0.27 C ATOM 1146 CG GLU A 69 7.660 5.846 -10.095 1.00 0.31 C ATOM 1147 CD GLU A 69 8.082 4.439 -10.522 1.00 1.19 C ATOM 1148 OE1 GLU A 69 7.210 3.599 -10.669 1.00 1.90 O ATOM 1149 OE2 GLU A 69 9.271 4.226 -10.694 1.00 1.93 O ATOM 0 H GLU A 69 3.805 6.423 -9.235 1.00 0.24 H new ATOM 0 HA GLU A 69 6.310 7.658 -8.701 1.00 0.26 H new ATOM 0 HB2 GLU A 69 5.822 5.193 -9.161 1.00 0.27 H new ATOM 0 HB3 GLU A 69 5.651 5.597 -10.857 1.00 0.27 H new ATOM 0 HG2 GLU A 69 7.980 6.575 -10.840 1.00 0.31 H new ATOM 0 HG3 GLU A 69 8.147 6.114 -9.157 1.00 0.31 H new ATOM 1156 N SER A 70 4.914 8.509 -11.508 1.00 0.33 N ATOM 1157 CA SER A 70 5.057 9.381 -12.714 1.00 0.39 C ATOM 1158 C SER A 70 5.566 10.779 -12.341 1.00 0.41 C ATOM 1159 O SER A 70 6.278 11.400 -13.107 1.00 0.49 O ATOM 1160 CB SER A 70 3.700 9.514 -13.404 1.00 0.42 C ATOM 1161 OG SER A 70 3.889 10.033 -14.714 1.00 1.40 O ATOM 0 H SER A 70 3.974 8.147 -11.349 1.00 0.33 H new ATOM 0 HA SER A 70 5.784 8.918 -13.381 1.00 0.39 H new ATOM 0 HB2 SER A 70 3.207 8.543 -13.452 1.00 0.42 H new ATOM 0 HB3 SER A 70 3.050 10.173 -12.829 1.00 0.42 H new ATOM 0 HG SER A 70 3.021 10.118 -15.160 1.00 1.40 H new ATOM 1167 N LEU A 71 5.208 11.293 -11.193 1.00 0.41 N ATOM 1168 CA LEU A 71 5.681 12.662 -10.821 1.00 0.49 C ATOM 1169 C LEU A 71 7.008 12.570 -10.064 1.00 0.41 C ATOM 1170 O LEU A 71 7.481 13.537 -9.502 1.00 0.48 O ATOM 1171 CB LEU A 71 4.628 13.365 -9.953 1.00 0.63 C ATOM 1172 CG LEU A 71 4.379 12.576 -8.663 1.00 0.84 C ATOM 1173 CD1 LEU A 71 4.672 13.469 -7.456 1.00 1.51 C ATOM 1174 CD2 LEU A 71 2.917 12.127 -8.618 1.00 1.24 C ATOM 0 H LEU A 71 4.615 10.831 -10.503 1.00 0.41 H new ATOM 0 HA LEU A 71 5.833 13.243 -11.731 1.00 0.49 H new ATOM 0 HB2 LEU A 71 4.963 14.373 -9.710 1.00 0.63 H new ATOM 0 HB3 LEU A 71 3.697 13.464 -10.511 1.00 0.63 H new ATOM 0 HG LEU A 71 5.031 11.703 -8.638 1.00 0.84 H new ATOM 0 HD11 LEU A 71 4.495 12.909 -6.538 1.00 1.51 H new ATOM 0 HD12 LEU A 71 5.712 13.795 -7.488 1.00 1.51 H new ATOM 0 HD13 LEU A 71 4.018 14.341 -7.481 1.00 1.51 H new ATOM 0 HD21 LEU A 71 2.737 11.565 -7.701 1.00 1.24 H new ATOM 0 HD22 LEU A 71 2.267 13.002 -8.641 1.00 1.24 H new ATOM 0 HD23 LEU A 71 2.704 11.494 -9.479 1.00 1.24 H new ATOM 1186 N GLY A 72 7.613 11.414 -10.049 1.00 0.34 N ATOM 1187 CA GLY A 72 8.910 11.265 -9.334 1.00 0.33 C ATOM 1188 C GLY A 72 8.654 10.890 -7.875 1.00 0.30 C ATOM 1189 O GLY A 72 9.481 11.118 -7.014 1.00 0.33 O ATOM 0 H GLY A 72 7.265 10.568 -10.500 1.00 0.34 H new ATOM 0 HA2 GLY A 72 9.516 10.498 -9.816 1.00 0.33 H new ATOM 0 HA3 GLY A 72 9.474 12.196 -9.387 1.00 0.33 H new ATOM 1193 N LEU A 73 7.518 10.316 -7.586 1.00 0.25 N ATOM 1194 CA LEU A 73 7.222 9.931 -6.180 1.00 0.24 C ATOM 1195 C LEU A 73 7.763 8.520 -5.933 1.00 0.21 C ATOM 1196 O LEU A 73 7.663 7.655 -6.779 1.00 0.22 O ATOM 1197 CB LEU A 73 5.708 9.942 -5.957 1.00 0.23 C ATOM 1198 CG LEU A 73 5.409 10.097 -4.465 1.00 0.26 C ATOM 1199 CD1 LEU A 73 5.234 11.581 -4.137 1.00 0.38 C ATOM 1200 CD2 LEU A 73 4.122 9.345 -4.120 1.00 0.48 C ATOM 0 H LEU A 73 6.785 10.098 -8.261 1.00 0.25 H new ATOM 0 HA LEU A 73 7.692 10.636 -5.494 1.00 0.24 H new ATOM 0 HB2 LEU A 73 5.254 10.760 -6.516 1.00 0.23 H new ATOM 0 HB3 LEU A 73 5.269 9.018 -6.332 1.00 0.23 H new ATOM 0 HG LEU A 73 6.235 9.687 -3.883 1.00 0.26 H new ATOM 0 HD11 LEU A 73 5.021 11.696 -3.074 1.00 0.38 H new ATOM 0 HD12 LEU A 73 6.150 12.119 -4.384 1.00 0.38 H new ATOM 0 HD13 LEU A 73 4.407 11.987 -4.719 1.00 0.38 H new ATOM 0 HD21 LEU A 73 3.910 9.456 -3.057 1.00 0.48 H new ATOM 0 HD22 LEU A 73 3.295 9.754 -4.700 1.00 0.48 H new ATOM 0 HD23 LEU A 73 4.243 8.288 -4.357 1.00 0.48 H new ATOM 1212 N VAL A 74 8.343 8.277 -4.789 1.00 0.21 N ATOM 1213 CA VAL A 74 8.887 6.916 -4.514 1.00 0.20 C ATOM 1214 C VAL A 74 7.733 5.970 -4.185 1.00 0.20 C ATOM 1215 O VAL A 74 7.164 6.020 -3.113 1.00 0.23 O ATOM 1216 CB VAL A 74 9.852 6.984 -3.326 1.00 0.23 C ATOM 1217 CG1 VAL A 74 10.006 5.594 -2.700 1.00 0.32 C ATOM 1218 CG2 VAL A 74 11.220 7.478 -3.809 1.00 0.28 C ATOM 0 H VAL A 74 8.463 8.956 -4.038 1.00 0.21 H new ATOM 0 HA VAL A 74 9.420 6.548 -5.391 1.00 0.20 H new ATOM 0 HB VAL A 74 9.455 7.672 -2.580 1.00 0.23 H new ATOM 0 HG11 VAL A 74 10.693 5.649 -1.856 1.00 0.32 H new ATOM 0 HG12 VAL A 74 9.034 5.241 -2.354 1.00 0.32 H new ATOM 0 HG13 VAL A 74 10.400 4.902 -3.444 1.00 0.32 H new ATOM 0 HG21 VAL A 74 11.908 7.527 -2.965 1.00 0.28 H new ATOM 0 HG22 VAL A 74 11.612 6.789 -4.557 1.00 0.28 H new ATOM 0 HG23 VAL A 74 11.114 8.470 -4.249 1.00 0.28 H new ATOM 1228 N THR A 75 7.386 5.111 -5.109 1.00 0.21 N ATOM 1229 CA THR A 75 6.270 4.150 -4.872 1.00 0.22 C ATOM 1230 C THR A 75 6.668 2.780 -5.418 1.00 0.25 C ATOM 1231 O THR A 75 7.425 2.676 -6.362 1.00 0.34 O ATOM 1232 CB THR A 75 5.014 4.635 -5.599 1.00 0.32 C ATOM 1233 OG1 THR A 75 4.684 3.716 -6.631 1.00 1.12 O ATOM 1234 CG2 THR A 75 5.273 6.012 -6.210 1.00 0.77 C ATOM 0 H THR A 75 7.832 5.035 -6.023 1.00 0.21 H new ATOM 0 HA THR A 75 6.068 4.081 -3.803 1.00 0.22 H new ATOM 0 HB THR A 75 4.189 4.704 -4.890 1.00 0.32 H new ATOM 0 HG1 THR A 75 4.131 4.165 -7.304 1.00 1.12 H new ATOM 0 HG21 THR A 75 4.377 6.355 -6.727 1.00 0.77 H new ATOM 0 HG22 THR A 75 5.529 6.718 -5.420 1.00 0.77 H new ATOM 0 HG23 THR A 75 6.098 5.946 -6.919 1.00 0.77 H new ATOM 1242 N GLY A 76 6.162 1.729 -4.839 1.00 0.21 N ATOM 1243 CA GLY A 76 6.514 0.371 -5.338 1.00 0.29 C ATOM 1244 C GLY A 76 5.626 -0.663 -4.655 1.00 0.25 C ATOM 1245 O GLY A 76 5.265 -0.510 -3.505 1.00 0.28 O ATOM 0 H GLY A 76 5.522 1.750 -4.045 1.00 0.21 H new ATOM 0 HA2 GLY A 76 6.382 0.323 -6.419 1.00 0.29 H new ATOM 0 HA3 GLY A 76 7.563 0.157 -5.135 1.00 0.29 H new ATOM 1249 N LEU A 77 5.286 -1.726 -5.332 1.00 0.24 N ATOM 1250 CA LEU A 77 4.442 -2.759 -4.678 1.00 0.24 C ATOM 1251 C LEU A 77 5.365 -3.684 -3.868 1.00 0.24 C ATOM 1252 O LEU A 77 6.241 -4.347 -4.385 1.00 0.33 O ATOM 1253 CB LEU A 77 3.583 -3.504 -5.739 1.00 0.31 C ATOM 1254 CG LEU A 77 4.301 -4.706 -6.384 1.00 0.59 C ATOM 1255 CD1 LEU A 77 3.323 -5.404 -7.332 1.00 1.44 C ATOM 1256 CD2 LEU A 77 5.514 -4.230 -7.194 1.00 1.58 C ATOM 0 H LEU A 77 5.553 -1.920 -6.297 1.00 0.24 H new ATOM 0 HA LEU A 77 3.727 -2.312 -3.987 1.00 0.24 H new ATOM 0 HB2 LEU A 77 2.662 -3.851 -5.270 1.00 0.31 H new ATOM 0 HB3 LEU A 77 3.297 -2.801 -6.521 1.00 0.31 H new ATOM 0 HG LEU A 77 4.638 -5.386 -5.602 1.00 0.59 H new ATOM 0 HD11 LEU A 77 3.815 -6.258 -7.798 1.00 1.44 H new ATOM 0 HD12 LEU A 77 2.454 -5.747 -6.770 1.00 1.44 H new ATOM 0 HD13 LEU A 77 3.003 -4.704 -8.104 1.00 1.44 H new ATOM 0 HD21 LEU A 77 6.011 -5.089 -7.644 1.00 1.58 H new ATOM 0 HD22 LEU A 77 5.183 -3.550 -7.979 1.00 1.58 H new ATOM 0 HD23 LEU A 77 6.211 -3.712 -6.535 1.00 1.58 H new ATOM 1268 N VAL A 78 5.195 -3.684 -2.579 1.00 0.23 N ATOM 1269 CA VAL A 78 6.053 -4.509 -1.699 1.00 0.27 C ATOM 1270 C VAL A 78 5.455 -5.901 -1.544 1.00 0.27 C ATOM 1271 O VAL A 78 4.310 -6.072 -1.160 1.00 0.31 O ATOM 1272 CB VAL A 78 6.157 -3.847 -0.328 1.00 0.33 C ATOM 1273 CG1 VAL A 78 7.086 -4.670 0.563 1.00 0.37 C ATOM 1274 CG2 VAL A 78 6.719 -2.434 -0.493 1.00 0.39 C ATOM 0 H VAL A 78 4.485 -3.137 -2.092 1.00 0.23 H new ATOM 0 HA VAL A 78 7.044 -4.594 -2.144 1.00 0.27 H new ATOM 0 HB VAL A 78 5.170 -3.794 0.132 1.00 0.33 H new ATOM 0 HG11 VAL A 78 7.162 -4.199 1.543 1.00 0.37 H new ATOM 0 HG12 VAL A 78 6.685 -5.677 0.675 1.00 0.37 H new ATOM 0 HG13 VAL A 78 8.075 -4.722 0.108 1.00 0.37 H new ATOM 0 HG21 VAL A 78 6.795 -1.956 0.484 1.00 0.39 H new ATOM 0 HG22 VAL A 78 7.707 -2.487 -0.949 1.00 0.39 H new ATOM 0 HG23 VAL A 78 6.055 -1.851 -1.131 1.00 0.39 H new ATOM 1284 N GLN A 79 6.236 -6.891 -1.835 1.00 0.29 N ATOM 1285 CA GLN A 79 5.770 -8.291 -1.711 1.00 0.33 C ATOM 1286 C GLN A 79 6.938 -9.108 -1.172 1.00 0.33 C ATOM 1287 O GLN A 79 7.915 -8.550 -0.721 1.00 0.40 O ATOM 1288 CB GLN A 79 5.320 -8.804 -3.080 1.00 0.41 C ATOM 1289 CG GLN A 79 4.129 -7.965 -3.549 1.00 0.63 C ATOM 1290 CD GLN A 79 3.590 -8.505 -4.869 1.00 0.90 C ATOM 1291 OE1 GLN A 79 4.034 -9.525 -5.355 1.00 1.42 O ATOM 1292 NE2 GLN A 79 2.645 -7.844 -5.474 1.00 1.62 N ATOM 0 H GLN A 79 7.197 -6.788 -2.160 1.00 0.29 H new ATOM 0 HA GLN A 79 4.919 -8.371 -1.035 1.00 0.33 H new ATOM 0 HB2 GLN A 79 6.138 -8.734 -3.797 1.00 0.41 H new ATOM 0 HB3 GLN A 79 5.040 -9.856 -3.017 1.00 0.41 H new ATOM 0 HG2 GLN A 79 3.344 -7.981 -2.793 1.00 0.63 H new ATOM 0 HG3 GLN A 79 4.433 -6.925 -3.670 1.00 0.63 H new ATOM 0 HE21 GLN A 79 2.276 -6.988 -5.060 1.00 1.62 H new ATOM 0 HE22 GLN A 79 2.274 -8.183 -6.362 1.00 1.62 H new ATOM 1301 N ASP A 80 6.863 -10.406 -1.199 1.00 0.37 N ATOM 1302 CA ASP A 80 8.004 -11.205 -0.669 1.00 0.44 C ATOM 1303 C ASP A 80 9.285 -10.753 -1.381 1.00 0.56 C ATOM 1304 O ASP A 80 9.638 -11.256 -2.428 1.00 0.71 O ATOM 1305 CB ASP A 80 7.758 -12.689 -0.945 1.00 0.55 C ATOM 1306 CG ASP A 80 6.395 -13.092 -0.377 1.00 1.50 C ATOM 1307 OD1 ASP A 80 5.719 -12.227 0.155 1.00 2.28 O ATOM 1308 OD2 ASP A 80 6.053 -14.258 -0.483 1.00 2.27 O ATOM 0 H ASP A 80 6.075 -10.944 -1.559 1.00 0.37 H new ATOM 0 HA ASP A 80 8.102 -11.055 0.406 1.00 0.44 H new ATOM 0 HB2 ASP A 80 7.789 -12.881 -2.018 1.00 0.55 H new ATOM 0 HB3 ASP A 80 8.546 -13.290 -0.491 1.00 0.55 H new ATOM 1313 N ALA A 81 9.970 -9.787 -0.824 1.00 0.69 N ATOM 1314 CA ALA A 81 11.213 -9.276 -1.468 1.00 0.92 C ATOM 1315 C ALA A 81 12.270 -10.377 -1.505 1.00 0.87 C ATOM 1316 O ALA A 81 13.033 -10.484 -2.445 1.00 1.09 O ATOM 1317 CB ALA A 81 11.743 -8.081 -0.674 1.00 1.32 C ATOM 0 H ALA A 81 9.719 -9.330 0.053 1.00 0.69 H new ATOM 0 HA ALA A 81 10.988 -8.965 -2.488 1.00 0.92 H new ATOM 0 HB1 ALA A 81 12.652 -7.706 -1.144 1.00 1.32 H new ATOM 0 HB2 ALA A 81 10.991 -7.292 -0.658 1.00 1.32 H new ATOM 0 HB3 ALA A 81 11.964 -8.392 0.347 1.00 1.32 H new ATOM 1323 N GLY A 82 12.323 -11.205 -0.499 1.00 1.07 N ATOM 1324 CA GLY A 82 13.333 -12.297 -0.504 1.00 1.53 C ATOM 1325 C GLY A 82 13.192 -13.078 -1.809 1.00 1.73 C ATOM 1326 O GLY A 82 14.159 -13.545 -2.377 1.00 2.08 O ATOM 0 H GLY A 82 11.716 -11.173 0.320 1.00 1.07 H new ATOM 0 HA2 GLY A 82 14.338 -11.884 -0.416 1.00 1.53 H new ATOM 0 HA3 GLY A 82 13.183 -12.956 0.351 1.00 1.53 H new ATOM 1330 N LEU A 83 11.986 -13.206 -2.291 1.00 2.03 N ATOM 1331 CA LEU A 83 11.755 -13.939 -3.566 1.00 2.61 C ATOM 1332 C LEU A 83 11.682 -12.941 -4.723 1.00 2.49 C ATOM 1333 O LEU A 83 11.656 -11.743 -4.524 1.00 2.79 O ATOM 1334 CB LEU A 83 10.436 -14.713 -3.484 1.00 3.60 C ATOM 1335 CG LEU A 83 10.696 -16.133 -2.980 1.00 4.56 C ATOM 1336 CD1 LEU A 83 11.311 -16.078 -1.580 1.00 5.11 C ATOM 1337 CD2 LEU A 83 9.372 -16.898 -2.925 1.00 5.31 C ATOM 0 H LEU A 83 11.145 -12.831 -1.852 1.00 2.03 H new ATOM 0 HA LEU A 83 12.576 -14.636 -3.733 1.00 2.61 H new ATOM 0 HB2 LEU A 83 9.745 -14.201 -2.814 1.00 3.60 H new ATOM 0 HB3 LEU A 83 9.963 -14.747 -4.465 1.00 3.60 H new ATOM 0 HG LEU A 83 11.385 -16.639 -3.656 1.00 4.56 H new ATOM 0 HD11 LEU A 83 11.495 -17.091 -1.223 1.00 5.11 H new ATOM 0 HD12 LEU A 83 12.252 -15.530 -1.617 1.00 5.11 H new ATOM 0 HD13 LEU A 83 10.624 -15.574 -0.900 1.00 5.11 H new ATOM 0 HD21 LEU A 83 9.552 -17.911 -2.566 1.00 5.31 H new ATOM 0 HD22 LEU A 83 8.686 -16.390 -2.248 1.00 5.31 H new ATOM 0 HD23 LEU A 83 8.934 -16.939 -3.922 1.00 5.31 H new ATOM 1349 N THR A 84 11.644 -13.430 -5.931 1.00 2.68 N ATOM 1350 CA THR A 84 11.567 -12.519 -7.107 1.00 3.12 C ATOM 1351 C THR A 84 11.203 -13.337 -8.346 1.00 3.24 C ATOM 1352 O THR A 84 11.965 -13.424 -9.289 1.00 3.70 O ATOM 1353 CB THR A 84 12.923 -11.842 -7.317 1.00 3.80 C ATOM 1354 OG1 THR A 84 12.943 -11.211 -8.589 1.00 4.44 O ATOM 1355 CG2 THR A 84 14.034 -12.891 -7.247 1.00 4.37 C ATOM 0 H THR A 84 11.663 -14.425 -6.155 1.00 2.68 H new ATOM 0 HA THR A 84 10.808 -11.755 -6.935 1.00 3.12 H new ATOM 0 HB THR A 84 13.082 -11.095 -6.539 1.00 3.80 H new ATOM 0 HG1 THR A 84 12.885 -11.891 -9.292 1.00 4.44 H new ATOM 0 HG21 THR A 84 15.000 -12.409 -7.397 1.00 4.37 H new ATOM 0 HG22 THR A 84 14.017 -13.374 -6.270 1.00 4.37 H new ATOM 0 HG23 THR A 84 13.878 -13.639 -8.024 1.00 4.37 H new ATOM 1363 N GLU A 85 10.044 -13.945 -8.342 1.00 3.37 N ATOM 1364 CA GLU A 85 9.615 -14.774 -9.507 1.00 3.83 C ATOM 1365 C GLU A 85 8.133 -14.531 -9.797 1.00 3.49 C ATOM 1366 O GLU A 85 7.781 -13.835 -10.729 1.00 3.56 O ATOM 1367 CB GLU A 85 9.824 -16.253 -9.175 1.00 4.50 C ATOM 1368 CG GLU A 85 11.249 -16.670 -9.540 1.00 5.28 C ATOM 1369 CD GLU A 85 11.327 -16.961 -11.040 1.00 6.01 C ATOM 1370 OE1 GLU A 85 10.364 -16.673 -11.731 1.00 6.37 O ATOM 1371 OE2 GLU A 85 12.345 -17.477 -11.471 1.00 6.50 O ATOM 0 H GLU A 85 9.372 -13.902 -7.576 1.00 3.37 H new ATOM 0 HA GLU A 85 10.205 -14.501 -10.382 1.00 3.83 H new ATOM 0 HB2 GLU A 85 9.646 -16.426 -8.114 1.00 4.50 H new ATOM 0 HB3 GLU A 85 9.105 -16.863 -9.722 1.00 4.50 H new ATOM 0 HG2 GLU A 85 11.950 -15.878 -9.275 1.00 5.28 H new ATOM 0 HG3 GLU A 85 11.537 -17.554 -8.972 1.00 5.28 H new ATOM 1378 N VAL A 86 7.268 -15.109 -9.004 1.00 3.61 N ATOM 1379 CA VAL A 86 5.802 -14.936 -9.220 1.00 3.59 C ATOM 1380 C VAL A 86 5.233 -13.975 -8.157 1.00 3.04 C ATOM 1381 O VAL A 86 5.069 -14.368 -7.019 1.00 3.11 O ATOM 1382 CB VAL A 86 5.107 -16.293 -9.061 1.00 4.37 C ATOM 1383 CG1 VAL A 86 4.488 -16.709 -10.397 1.00 4.93 C ATOM 1384 CG2 VAL A 86 6.123 -17.351 -8.621 1.00 4.98 C ATOM 0 H VAL A 86 7.518 -15.698 -8.210 1.00 3.61 H new ATOM 0 HA VAL A 86 5.631 -14.534 -10.219 1.00 3.59 H new ATOM 0 HB VAL A 86 4.326 -16.208 -8.305 1.00 4.37 H new ATOM 0 HG11 VAL A 86 3.994 -17.674 -10.284 1.00 4.93 H new ATOM 0 HG12 VAL A 86 3.758 -15.962 -10.708 1.00 4.93 H new ATOM 0 HG13 VAL A 86 5.271 -16.788 -11.152 1.00 4.93 H new ATOM 0 HG21 VAL A 86 5.622 -18.313 -8.510 1.00 4.98 H new ATOM 0 HG22 VAL A 86 6.909 -17.436 -9.372 1.00 4.98 H new ATOM 0 HG23 VAL A 86 6.563 -17.059 -7.667 1.00 4.98 H new ATOM 1394 N PRO A 87 4.917 -12.733 -8.490 1.00 3.11 N ATOM 1395 CA PRO A 87 4.356 -11.799 -7.481 1.00 3.16 C ATOM 1396 C PRO A 87 3.125 -12.387 -6.771 1.00 2.59 C ATOM 1397 O PRO A 87 3.015 -12.293 -5.565 1.00 2.73 O ATOM 1398 CB PRO A 87 4.009 -10.515 -8.242 1.00 3.97 C ATOM 1399 CG PRO A 87 4.582 -10.652 -9.621 1.00 4.39 C ATOM 1400 CD PRO A 87 5.060 -12.096 -9.814 1.00 3.85 C ATOM 0 HA PRO A 87 5.077 -11.606 -6.687 1.00 3.16 H new ATOM 0 HB2 PRO A 87 2.929 -10.373 -8.286 1.00 3.97 H new ATOM 0 HB3 PRO A 87 4.425 -9.643 -7.737 1.00 3.97 H new ATOM 0 HG2 PRO A 87 3.831 -10.400 -10.369 1.00 4.39 H new ATOM 0 HG3 PRO A 87 5.412 -9.958 -9.756 1.00 4.39 H new ATOM 0 HD2 PRO A 87 4.462 -12.611 -10.565 1.00 3.85 H new ATOM 0 HD3 PRO A 87 6.095 -12.126 -10.155 1.00 3.85 H new ATOM 1408 N PRO A 88 2.210 -13.014 -7.486 1.00 2.55 N ATOM 1409 CA PRO A 88 1.011 -13.629 -6.849 1.00 2.55 C ATOM 1410 C PRO A 88 1.412 -14.665 -5.798 1.00 1.91 C ATOM 1411 O PRO A 88 2.570 -15.013 -5.674 1.00 2.08 O ATOM 1412 CB PRO A 88 0.260 -14.303 -8.001 1.00 3.40 C ATOM 1413 CG PRO A 88 0.763 -13.650 -9.242 1.00 3.75 C ATOM 1414 CD PRO A 88 2.196 -13.210 -8.950 1.00 3.23 C ATOM 0 HA PRO A 88 0.404 -12.887 -6.331 1.00 2.55 H new ATOM 0 HB2 PRO A 88 0.450 -15.376 -8.018 1.00 3.40 H new ATOM 0 HB3 PRO A 88 -0.817 -14.171 -7.897 1.00 3.40 H new ATOM 0 HG2 PRO A 88 0.734 -14.342 -10.084 1.00 3.75 H new ATOM 0 HG3 PRO A 88 0.142 -12.795 -9.510 1.00 3.75 H new ATOM 0 HD2 PRO A 88 2.918 -13.966 -9.260 1.00 3.23 H new ATOM 0 HD3 PRO A 88 2.449 -12.291 -9.480 1.00 3.23 H new ATOM 1422 N GLY A 89 0.467 -15.144 -5.037 1.00 1.56 N ATOM 1423 CA GLY A 89 0.780 -16.147 -3.981 1.00 1.41 C ATOM 1424 C GLY A 89 0.782 -15.440 -2.633 1.00 1.20 C ATOM 1425 O GLY A 89 0.346 -15.978 -1.641 1.00 1.48 O ATOM 0 H GLY A 89 -0.516 -14.881 -5.102 1.00 1.56 H new ATOM 0 HA2 GLY A 89 0.041 -16.948 -3.988 1.00 1.41 H new ATOM 0 HA3 GLY A 89 1.750 -16.606 -4.170 1.00 1.41 H new ATOM 1429 N THR A 90 1.260 -14.224 -2.608 1.00 0.93 N ATOM 1430 CA THR A 90 1.295 -13.435 -1.344 1.00 0.78 C ATOM 1431 C THR A 90 0.265 -12.321 -1.434 1.00 0.66 C ATOM 1432 O THR A 90 -0.331 -12.106 -2.468 1.00 0.70 O ATOM 1433 CB THR A 90 2.684 -12.816 -1.174 1.00 0.79 C ATOM 1434 OG1 THR A 90 2.564 -11.550 -0.541 1.00 1.51 O ATOM 1435 CG2 THR A 90 3.334 -12.641 -2.546 1.00 1.39 C ATOM 0 H THR A 90 1.633 -13.738 -3.423 1.00 0.93 H new ATOM 0 HA THR A 90 1.075 -14.083 -0.496 1.00 0.78 H new ATOM 0 HB THR A 90 3.302 -13.471 -0.560 1.00 0.79 H new ATOM 0 HG1 THR A 90 3.372 -11.021 -0.711 1.00 1.51 H new ATOM 0 HG21 THR A 90 4.324 -12.200 -2.426 1.00 1.39 H new ATOM 0 HG22 THR A 90 3.426 -13.613 -3.032 1.00 1.39 H new ATOM 0 HG23 THR A 90 2.717 -11.985 -3.160 1.00 1.39 H new ATOM 1443 N ILE A 91 0.076 -11.584 -0.377 1.00 0.59 N ATOM 1444 CA ILE A 91 -0.904 -10.472 -0.433 1.00 0.54 C ATOM 1445 C ILE A 91 -0.199 -9.357 -1.188 1.00 0.52 C ATOM 1446 O ILE A 91 0.950 -9.531 -1.550 1.00 0.82 O ATOM 1447 CB ILE A 91 -1.287 -10.033 1.010 1.00 0.55 C ATOM 1448 CG1 ILE A 91 -0.608 -8.699 1.386 1.00 0.76 C ATOM 1449 CG2 ILE A 91 -0.866 -11.114 2.009 1.00 0.85 C ATOM 1450 CD1 ILE A 91 -0.746 -8.430 2.861 1.00 0.85 C ATOM 0 H ILE A 91 0.555 -11.704 0.516 1.00 0.59 H new ATOM 0 HA ILE A 91 -1.833 -10.753 -0.928 1.00 0.54 H new ATOM 0 HB ILE A 91 -2.368 -9.894 1.045 1.00 0.55 H new ATOM 0 HG12 ILE A 91 0.447 -8.733 1.114 1.00 0.76 H new ATOM 0 HG13 ILE A 91 -1.057 -7.884 0.819 1.00 0.76 H new ATOM 0 HG21 ILE A 91 -1.136 -10.802 3.018 1.00 0.85 H new ATOM 0 HG22 ILE A 91 -1.374 -12.048 1.770 1.00 0.85 H new ATOM 0 HG23 ILE A 91 0.212 -11.262 1.952 1.00 0.85 H new ATOM 0 HD11 ILE A 91 -0.261 -7.485 3.105 1.00 0.85 H new ATOM 0 HD12 ILE A 91 -1.802 -8.374 3.123 1.00 0.85 H new ATOM 0 HD13 ILE A 91 -0.275 -9.236 3.423 1.00 0.85 H new ATOM 1462 N THR A 92 -0.845 -8.240 -1.423 1.00 0.32 N ATOM 1463 CA THR A 92 -0.159 -7.127 -2.163 1.00 0.32 C ATOM 1464 C THR A 92 0.111 -5.902 -1.284 1.00 0.32 C ATOM 1465 O THR A 92 -0.701 -5.006 -1.162 1.00 0.37 O ATOM 1466 CB THR A 92 -0.907 -6.745 -3.446 1.00 0.43 C ATOM 1467 OG1 THR A 92 -0.809 -7.814 -4.377 1.00 1.38 O ATOM 1468 CG2 THR A 92 -0.263 -5.493 -4.043 1.00 1.54 C ATOM 0 H THR A 92 -1.806 -8.049 -1.139 1.00 0.32 H new ATOM 0 HA THR A 92 0.816 -7.518 -2.455 1.00 0.32 H new ATOM 0 HB THR A 92 -1.956 -6.549 -3.222 1.00 0.43 H new ATOM 0 HG1 THR A 92 -1.636 -8.340 -4.359 1.00 1.38 H new ATOM 0 HG21 THR A 92 -0.789 -5.214 -4.956 1.00 1.54 H new ATOM 0 HG22 THR A 92 -0.323 -4.675 -3.325 1.00 1.54 H new ATOM 0 HG23 THR A 92 0.783 -5.697 -4.274 1.00 1.54 H new ATOM 1476 N ALA A 93 1.280 -5.863 -0.681 1.00 0.32 N ATOM 1477 CA ALA A 93 1.659 -4.704 0.175 1.00 0.38 C ATOM 1478 C ALA A 93 2.343 -3.650 -0.692 1.00 0.33 C ATOM 1479 O ALA A 93 3.008 -3.971 -1.650 1.00 0.36 O ATOM 1480 CB ALA A 93 2.619 -5.166 1.275 1.00 0.46 C ATOM 0 H ALA A 93 1.988 -6.594 -0.750 1.00 0.32 H new ATOM 0 HA ALA A 93 0.767 -4.281 0.636 1.00 0.38 H new ATOM 0 HB1 ALA A 93 2.894 -4.315 1.899 1.00 0.46 H new ATOM 0 HB2 ALA A 93 2.132 -5.924 1.889 1.00 0.46 H new ATOM 0 HB3 ALA A 93 3.516 -5.588 0.822 1.00 0.46 H new ATOM 1486 N VAL A 94 2.164 -2.394 -0.380 1.00 0.29 N ATOM 1487 CA VAL A 94 2.792 -1.319 -1.202 1.00 0.25 C ATOM 1488 C VAL A 94 3.228 -0.153 -0.317 1.00 0.23 C ATOM 1489 O VAL A 94 2.583 0.174 0.655 1.00 0.27 O ATOM 1490 CB VAL A 94 1.782 -0.843 -2.238 1.00 0.29 C ATOM 1491 CG1 VAL A 94 0.423 -0.728 -1.562 1.00 1.02 C ATOM 1492 CG2 VAL A 94 2.206 0.523 -2.785 1.00 0.84 C ATOM 0 H VAL A 94 1.609 -2.066 0.410 1.00 0.29 H new ATOM 0 HA VAL A 94 3.677 -1.713 -1.701 1.00 0.25 H new ATOM 0 HB VAL A 94 1.731 -1.550 -3.066 1.00 0.29 H new ATOM 0 HG11 VAL A 94 -0.316 -0.388 -2.287 1.00 1.02 H new ATOM 0 HG12 VAL A 94 0.127 -1.702 -1.172 1.00 1.02 H new ATOM 0 HG13 VAL A 94 0.484 -0.012 -0.743 1.00 1.02 H new ATOM 0 HG21 VAL A 94 1.481 0.859 -3.526 1.00 0.84 H new ATOM 0 HG22 VAL A 94 2.252 1.244 -1.968 1.00 0.84 H new ATOM 0 HG23 VAL A 94 3.188 0.440 -3.251 1.00 0.84 H new ATOM 1502 N VAL A 95 4.320 0.475 -0.667 1.00 0.21 N ATOM 1503 CA VAL A 95 4.833 1.637 0.117 1.00 0.20 C ATOM 1504 C VAL A 95 4.735 2.885 -0.763 1.00 0.19 C ATOM 1505 O VAL A 95 5.218 2.882 -1.884 1.00 0.21 O ATOM 1506 CB VAL A 95 6.300 1.372 0.471 1.00 0.26 C ATOM 1507 CG1 VAL A 95 7.148 1.422 -0.801 1.00 0.97 C ATOM 1508 CG2 VAL A 95 6.800 2.430 1.456 1.00 1.12 C ATOM 0 H VAL A 95 4.888 0.227 -1.477 1.00 0.21 H new ATOM 0 HA VAL A 95 4.255 1.780 1.030 1.00 0.20 H new ATOM 0 HB VAL A 95 6.384 0.387 0.931 1.00 0.26 H new ATOM 0 HG11 VAL A 95 8.192 1.234 -0.550 1.00 0.97 H new ATOM 0 HG12 VAL A 95 6.800 0.662 -1.500 1.00 0.97 H new ATOM 0 HG13 VAL A 95 7.057 2.406 -1.260 1.00 0.97 H new ATOM 0 HG21 VAL A 95 7.844 2.234 1.702 1.00 1.12 H new ATOM 0 HG22 VAL A 95 6.713 3.418 1.004 1.00 1.12 H new ATOM 0 HG23 VAL A 95 6.200 2.393 2.365 1.00 1.12 H new ATOM 1518 N ILE A 96 4.115 3.947 -0.270 1.00 0.17 N ATOM 1519 CA ILE A 96 3.993 5.199 -1.091 1.00 0.18 C ATOM 1520 C ILE A 96 4.639 6.359 -0.337 1.00 0.16 C ATOM 1521 O ILE A 96 4.355 6.606 0.826 1.00 0.18 O ATOM 1522 CB ILE A 96 2.525 5.547 -1.385 1.00 0.23 C ATOM 1523 CG1 ILE A 96 1.771 4.292 -1.875 1.00 0.22 C ATOM 1524 CG2 ILE A 96 2.527 6.613 -2.498 1.00 0.37 C ATOM 1525 CD1 ILE A 96 0.256 4.536 -1.859 1.00 0.46 C ATOM 0 H ILE A 96 3.694 3.995 0.658 1.00 0.17 H new ATOM 0 HA ILE A 96 4.498 5.028 -2.042 1.00 0.18 H new ATOM 0 HB ILE A 96 2.029 5.915 -0.487 1.00 0.23 H new ATOM 0 HG12 ILE A 96 2.094 4.037 -2.884 1.00 0.22 H new ATOM 0 HG13 ILE A 96 2.015 3.442 -1.238 1.00 0.22 H new ATOM 0 HG21 ILE A 96 1.501 6.890 -2.739 1.00 0.37 H new ATOM 0 HG22 ILE A 96 3.070 7.494 -2.157 1.00 0.37 H new ATOM 0 HG23 ILE A 96 3.012 6.210 -3.387 1.00 0.37 H new ATOM 0 HD11 ILE A 96 -0.260 3.641 -2.207 1.00 0.46 H new ATOM 0 HD12 ILE A 96 -0.065 4.768 -0.843 1.00 0.46 H new ATOM 0 HD13 ILE A 96 0.015 5.372 -2.515 1.00 0.46 H new ATOM 1537 N GLY A 97 5.512 7.063 -1.007 1.00 0.17 N ATOM 1538 CA GLY A 97 6.227 8.211 -0.383 1.00 0.20 C ATOM 1539 C GLY A 97 5.239 9.328 0.010 1.00 0.19 C ATOM 1540 O GLY A 97 4.130 9.048 0.417 1.00 0.21 O ATOM 0 H GLY A 97 5.763 6.886 -1.980 1.00 0.17 H new ATOM 0 HA2 GLY A 97 6.768 7.871 0.500 1.00 0.20 H new ATOM 0 HA3 GLY A 97 6.968 8.604 -1.079 1.00 0.20 H new ATOM 1544 N PRO A 98 5.631 10.591 -0.087 1.00 0.18 N ATOM 1545 CA PRO A 98 4.741 11.724 0.297 1.00 0.18 C ATOM 1546 C PRO A 98 3.632 11.960 -0.741 1.00 0.20 C ATOM 1547 O PRO A 98 3.591 12.960 -1.416 1.00 0.21 O ATOM 1548 CB PRO A 98 5.686 12.937 0.407 1.00 0.19 C ATOM 1549 CG PRO A 98 6.981 12.557 -0.240 1.00 0.19 C ATOM 1550 CD PRO A 98 6.937 11.068 -0.580 1.00 0.19 C ATOM 0 HA PRO A 98 4.212 11.529 1.230 1.00 0.18 H new ATOM 0 HB2 PRO A 98 5.252 13.807 -0.085 1.00 0.19 H new ATOM 0 HB3 PRO A 98 5.844 13.207 1.451 1.00 0.19 H new ATOM 0 HG2 PRO A 98 7.140 13.147 -1.143 1.00 0.19 H new ATOM 0 HG3 PRO A 98 7.815 12.768 0.430 1.00 0.19 H new ATOM 0 HD2 PRO A 98 7.034 10.907 -1.654 1.00 0.19 H new ATOM 0 HD3 PRO A 98 7.757 10.532 -0.102 1.00 0.19 H new ATOM 1558 N ASP A 99 2.712 11.052 -0.867 1.00 0.21 N ATOM 1559 CA ASP A 99 1.633 11.248 -1.880 1.00 0.24 C ATOM 1560 C ASP A 99 0.788 12.440 -1.490 1.00 0.23 C ATOM 1561 O ASP A 99 0.980 13.038 -0.455 1.00 0.26 O ATOM 1562 CB ASP A 99 0.710 10.027 -1.910 1.00 0.30 C ATOM 1563 CG ASP A 99 0.898 9.225 -0.625 1.00 1.48 C ATOM 1564 OD1 ASP A 99 0.327 9.611 0.375 1.00 2.29 O ATOM 1565 OD2 ASP A 99 1.613 8.244 -0.660 1.00 2.17 O ATOM 0 H ASP A 99 2.655 10.191 -0.323 1.00 0.21 H new ATOM 0 HA ASP A 99 2.099 11.397 -2.854 1.00 0.24 H new ATOM 0 HB2 ASP A 99 -0.329 10.343 -2.007 1.00 0.30 H new ATOM 0 HB3 ASP A 99 0.936 9.406 -2.777 1.00 0.30 H new ATOM 1570 N GLU A 100 -0.160 12.774 -2.309 1.00 0.26 N ATOM 1571 CA GLU A 100 -1.051 13.905 -1.981 1.00 0.28 C ATOM 1572 C GLU A 100 -2.296 13.299 -1.349 1.00 0.26 C ATOM 1573 O GLU A 100 -3.099 12.683 -2.022 1.00 0.28 O ATOM 1574 CB GLU A 100 -1.421 14.654 -3.261 1.00 0.35 C ATOM 1575 CG GLU A 100 -0.143 15.032 -4.013 1.00 0.62 C ATOM 1576 CD GLU A 100 -0.502 15.843 -5.259 1.00 1.36 C ATOM 1577 OE1 GLU A 100 -1.679 15.927 -5.568 1.00 2.05 O ATOM 1578 OE2 GLU A 100 0.406 16.364 -5.884 1.00 2.00 O ATOM 0 H GLU A 100 -0.356 12.309 -3.195 1.00 0.26 H new ATOM 0 HA GLU A 100 -0.572 14.613 -1.305 1.00 0.28 H new ATOM 0 HB2 GLU A 100 -2.056 14.030 -3.890 1.00 0.35 H new ATOM 0 HB3 GLU A 100 -1.993 15.550 -3.019 1.00 0.35 H new ATOM 0 HG2 GLU A 100 0.514 15.613 -3.365 1.00 0.62 H new ATOM 0 HG3 GLU A 100 0.403 14.133 -4.297 1.00 0.62 H new ATOM 1585 N GLU A 101 -2.443 13.435 -0.060 1.00 0.32 N ATOM 1586 CA GLU A 101 -3.620 12.834 0.624 1.00 0.35 C ATOM 1587 C GLU A 101 -4.882 13.132 -0.184 1.00 0.32 C ATOM 1588 O GLU A 101 -5.862 12.417 -0.122 1.00 0.34 O ATOM 1589 CB GLU A 101 -3.762 13.428 2.025 1.00 0.45 C ATOM 1590 CG GLU A 101 -3.430 14.917 1.978 1.00 0.86 C ATOM 1591 CD GLU A 101 -3.705 15.545 3.345 1.00 0.82 C ATOM 1592 OE1 GLU A 101 -3.134 15.076 4.316 1.00 1.34 O ATOM 1593 OE2 GLU A 101 -4.482 16.484 3.398 1.00 1.34 O ATOM 0 H GLU A 101 -1.797 13.937 0.549 1.00 0.32 H new ATOM 0 HA GLU A 101 -3.480 11.756 0.702 1.00 0.35 H new ATOM 0 HB2 GLU A 101 -4.777 13.282 2.393 1.00 0.45 H new ATOM 0 HB3 GLU A 101 -3.095 12.917 2.719 1.00 0.45 H new ATOM 0 HG2 GLU A 101 -2.384 15.059 1.705 1.00 0.86 H new ATOM 0 HG3 GLU A 101 -4.029 15.410 1.212 1.00 0.86 H new ATOM 1600 N ARG A 102 -4.856 14.192 -0.939 1.00 0.33 N ATOM 1601 CA ARG A 102 -6.040 14.565 -1.756 1.00 0.35 C ATOM 1602 C ARG A 102 -6.330 13.482 -2.795 1.00 0.32 C ATOM 1603 O ARG A 102 -7.465 13.098 -2.995 1.00 0.35 O ATOM 1604 CB ARG A 102 -5.738 15.877 -2.472 1.00 0.40 C ATOM 1605 CG ARG A 102 -5.202 16.878 -1.454 1.00 1.08 C ATOM 1606 CD ARG A 102 -5.092 18.258 -2.102 1.00 1.67 C ATOM 1607 NE ARG A 102 -6.459 18.805 -2.317 1.00 2.39 N ATOM 1608 CZ ARG A 102 -6.647 19.786 -3.155 1.00 3.20 C ATOM 1609 NH1 ARG A 102 -5.635 20.293 -3.805 1.00 3.49 N ATOM 1610 NH2 ARG A 102 -7.847 20.260 -3.341 1.00 4.18 N ATOM 0 H ARG A 102 -4.058 14.821 -1.025 1.00 0.33 H new ATOM 0 HA ARG A 102 -6.910 14.672 -1.108 1.00 0.35 H new ATOM 0 HB2 ARG A 102 -5.007 15.715 -3.264 1.00 0.40 H new ATOM 0 HB3 ARG A 102 -6.640 16.265 -2.945 1.00 0.40 H new ATOM 0 HG2 ARG A 102 -5.864 16.923 -0.589 1.00 1.08 H new ATOM 0 HG3 ARG A 102 -4.226 16.556 -1.092 1.00 1.08 H new ATOM 0 HD2 ARG A 102 -4.515 18.928 -1.465 1.00 1.67 H new ATOM 0 HD3 ARG A 102 -4.562 18.186 -3.052 1.00 1.67 H new ATOM 0 HE ARG A 102 -7.251 18.412 -1.808 1.00 2.39 H new ATOM 0 HH11 ARG A 102 -4.696 19.922 -3.658 1.00 3.49 H new ATOM 0 HH12 ARG A 102 -5.783 21.060 -4.460 1.00 3.49 H new ATOM 0 HH21 ARG A 102 -8.637 19.863 -2.831 1.00 4.18 H new ATOM 0 HH22 ARG A 102 -7.996 21.027 -3.996 1.00 4.18 H new ATOM 1624 N LYS A 103 -5.321 12.988 -3.463 1.00 0.28 N ATOM 1625 CA LYS A 103 -5.572 11.938 -4.485 1.00 0.29 C ATOM 1626 C LYS A 103 -5.634 10.569 -3.801 1.00 0.26 C ATOM 1627 O LYS A 103 -6.426 9.725 -4.171 1.00 0.28 O ATOM 1628 CB LYS A 103 -4.498 12.026 -5.605 1.00 0.33 C ATOM 1629 CG LYS A 103 -3.330 11.034 -5.431 1.00 0.37 C ATOM 1630 CD LYS A 103 -3.651 9.713 -6.146 1.00 0.50 C ATOM 1631 CE LYS A 103 -2.535 8.705 -5.885 1.00 0.58 C ATOM 1632 NZ LYS A 103 -1.216 9.380 -6.037 1.00 0.92 N ATOM 0 H LYS A 103 -4.346 13.264 -3.345 1.00 0.28 H new ATOM 0 HA LYS A 103 -6.535 12.092 -4.971 1.00 0.29 H new ATOM 0 HB2 LYS A 103 -4.976 11.844 -6.568 1.00 0.33 H new ATOM 0 HB3 LYS A 103 -4.099 13.040 -5.633 1.00 0.33 H new ATOM 0 HG2 LYS A 103 -2.414 11.463 -5.837 1.00 0.37 H new ATOM 0 HG3 LYS A 103 -3.153 10.850 -4.371 1.00 0.37 H new ATOM 0 HD2 LYS A 103 -4.602 9.317 -5.791 1.00 0.50 H new ATOM 0 HD3 LYS A 103 -3.757 9.884 -7.217 1.00 0.50 H new ATOM 0 HE2 LYS A 103 -2.631 8.291 -4.881 1.00 0.58 H new ATOM 0 HE3 LYS A 103 -2.612 7.871 -6.583 1.00 0.58 H new ATOM 0 HZ1 LYS A 103 -0.461 8.665 -6.062 1.00 0.92 H new ATOM 0 HZ2 LYS A 103 -1.205 9.926 -6.922 1.00 0.92 H new ATOM 0 HZ3 LYS A 103 -1.059 10.021 -5.233 1.00 0.92 H new ATOM 1646 N ILE A 104 -4.819 10.330 -2.806 1.00 0.24 N ATOM 1647 CA ILE A 104 -4.870 9.011 -2.128 1.00 0.25 C ATOM 1648 C ILE A 104 -6.265 8.817 -1.530 1.00 0.28 C ATOM 1649 O ILE A 104 -6.740 7.710 -1.378 1.00 0.33 O ATOM 1650 CB ILE A 104 -3.798 8.962 -1.018 1.00 0.27 C ATOM 1651 CG1 ILE A 104 -3.172 7.568 -0.998 1.00 0.33 C ATOM 1652 CG2 ILE A 104 -4.415 9.252 0.367 1.00 0.34 C ATOM 1653 CD1 ILE A 104 -2.103 7.492 0.084 1.00 1.15 C ATOM 0 H ILE A 104 -4.129 10.986 -2.440 1.00 0.24 H new ATOM 0 HA ILE A 104 -4.670 8.212 -2.842 1.00 0.25 H new ATOM 0 HB ILE A 104 -3.046 9.723 -1.228 1.00 0.27 H new ATOM 0 HG12 ILE A 104 -3.941 6.818 -0.814 1.00 0.33 H new ATOM 0 HG13 ILE A 104 -2.733 7.343 -1.970 1.00 0.33 H new ATOM 0 HG21 ILE A 104 -3.636 9.210 1.128 1.00 0.34 H new ATOM 0 HG22 ILE A 104 -4.867 10.244 0.364 1.00 0.34 H new ATOM 0 HG23 ILE A 104 -5.179 8.506 0.588 1.00 0.34 H new ATOM 0 HD11 ILE A 104 -1.662 6.495 0.091 1.00 1.15 H new ATOM 0 HD12 ILE A 104 -1.327 8.230 -0.119 1.00 1.15 H new ATOM 0 HD13 ILE A 104 -2.553 7.696 1.055 1.00 1.15 H new ATOM 1665 N ASP A 105 -6.914 9.893 -1.170 1.00 0.29 N ATOM 1666 CA ASP A 105 -8.265 9.773 -0.558 1.00 0.35 C ATOM 1667 C ASP A 105 -9.217 9.068 -1.519 1.00 0.36 C ATOM 1668 O ASP A 105 -9.849 8.093 -1.171 1.00 0.39 O ATOM 1669 CB ASP A 105 -8.807 11.170 -0.246 1.00 0.42 C ATOM 1670 CG ASP A 105 -8.701 11.439 1.255 1.00 1.29 C ATOM 1671 OD1 ASP A 105 -9.591 11.019 1.975 1.00 2.10 O ATOM 1672 OD2 ASP A 105 -7.734 12.063 1.659 1.00 1.94 O ATOM 0 H ASP A 105 -6.566 10.846 -1.274 1.00 0.29 H new ATOM 0 HA ASP A 105 -8.188 9.191 0.360 1.00 0.35 H new ATOM 0 HB2 ASP A 105 -8.245 11.921 -0.801 1.00 0.42 H new ATOM 0 HB3 ASP A 105 -9.846 11.248 -0.567 1.00 0.42 H new ATOM 1677 N LYS A 106 -9.335 9.550 -2.720 1.00 0.37 N ATOM 1678 CA LYS A 106 -10.263 8.896 -3.685 1.00 0.43 C ATOM 1679 C LYS A 106 -9.662 7.585 -4.204 1.00 0.41 C ATOM 1680 O LYS A 106 -10.353 6.601 -4.378 1.00 0.46 O ATOM 1681 CB LYS A 106 -10.508 9.823 -4.875 1.00 0.54 C ATOM 1682 CG LYS A 106 -9.576 11.032 -4.799 1.00 0.66 C ATOM 1683 CD LYS A 106 -9.755 11.879 -6.060 1.00 0.76 C ATOM 1684 CE LYS A 106 -9.429 13.339 -5.752 1.00 1.34 C ATOM 1685 NZ LYS A 106 -9.184 14.070 -7.027 1.00 2.18 N ATOM 0 H LYS A 106 -8.834 10.364 -3.077 1.00 0.37 H new ATOM 0 HA LYS A 106 -11.201 8.687 -3.170 1.00 0.43 H new ATOM 0 HB2 LYS A 106 -10.341 9.283 -5.807 1.00 0.54 H new ATOM 0 HB3 LYS A 106 -11.546 10.154 -4.880 1.00 0.54 H new ATOM 0 HG2 LYS A 106 -9.800 11.625 -3.912 1.00 0.66 H new ATOM 0 HG3 LYS A 106 -8.540 10.704 -4.710 1.00 0.66 H new ATOM 0 HD2 LYS A 106 -9.103 11.511 -6.852 1.00 0.76 H new ATOM 0 HD3 LYS A 106 -10.779 11.794 -6.424 1.00 0.76 H new ATOM 0 HE2 LYS A 106 -10.253 13.800 -5.208 1.00 1.34 H new ATOM 0 HE3 LYS A 106 -8.550 13.399 -5.110 1.00 1.34 H new ATOM 0 HZ1 LYS A 106 -8.962 15.065 -6.820 1.00 2.18 H new ATOM 0 HZ2 LYS A 106 -8.384 13.634 -7.529 1.00 2.18 H new ATOM 0 HZ3 LYS A 106 -10.035 14.022 -7.623 1.00 2.18 H new ATOM 1699 N VAL A 107 -8.391 7.578 -4.490 1.00 0.39 N ATOM 1700 CA VAL A 107 -7.754 6.348 -5.045 1.00 0.42 C ATOM 1701 C VAL A 107 -7.696 5.211 -4.015 1.00 0.41 C ATOM 1702 O VAL A 107 -8.070 4.094 -4.313 1.00 0.48 O ATOM 1703 CB VAL A 107 -6.341 6.691 -5.517 1.00 0.42 C ATOM 1704 CG1 VAL A 107 -5.547 5.402 -5.719 1.00 0.52 C ATOM 1705 CG2 VAL A 107 -6.424 7.452 -6.847 1.00 0.47 C ATOM 0 H VAL A 107 -7.763 8.372 -4.364 1.00 0.39 H new ATOM 0 HA VAL A 107 -8.362 5.998 -5.879 1.00 0.42 H new ATOM 0 HB VAL A 107 -5.845 7.311 -4.770 1.00 0.42 H new ATOM 0 HG11 VAL A 107 -4.539 5.645 -6.056 1.00 0.52 H new ATOM 0 HG12 VAL A 107 -5.493 4.856 -4.777 1.00 0.52 H new ATOM 0 HG13 VAL A 107 -6.041 4.784 -6.469 1.00 0.52 H new ATOM 0 HG21 VAL A 107 -5.419 7.699 -7.188 1.00 0.47 H new ATOM 0 HG22 VAL A 107 -6.917 6.829 -7.593 1.00 0.47 H new ATOM 0 HG23 VAL A 107 -6.995 8.370 -6.706 1.00 0.47 H new ATOM 1715 N THR A 108 -7.220 5.466 -2.822 1.00 0.37 N ATOM 1716 CA THR A 108 -7.130 4.369 -1.805 1.00 0.41 C ATOM 1717 C THR A 108 -8.354 4.377 -0.891 1.00 0.44 C ATOM 1718 O THR A 108 -8.521 3.503 -0.064 1.00 0.54 O ATOM 1719 CB THR A 108 -5.869 4.555 -0.964 1.00 0.43 C ATOM 1720 OG1 THR A 108 -5.954 5.780 -0.250 1.00 1.35 O ATOM 1721 CG2 THR A 108 -4.647 4.567 -1.884 1.00 1.39 C ATOM 0 H THR A 108 -6.891 6.379 -2.508 1.00 0.37 H new ATOM 0 HA THR A 108 -7.090 3.414 -2.328 1.00 0.41 H new ATOM 0 HB THR A 108 -5.774 3.735 -0.252 1.00 0.43 H new ATOM 0 HG1 THR A 108 -6.009 6.525 -0.884 1.00 1.35 H new ATOM 0 HG21 THR A 108 -3.744 4.700 -1.288 1.00 1.39 H new ATOM 0 HG22 THR A 108 -4.589 3.622 -2.425 1.00 1.39 H new ATOM 0 HG23 THR A 108 -4.736 5.388 -2.596 1.00 1.39 H new ATOM 1729 N GLY A 109 -9.213 5.347 -1.023 1.00 0.43 N ATOM 1730 CA GLY A 109 -10.417 5.382 -0.146 1.00 0.52 C ATOM 1731 C GLY A 109 -9.982 5.529 1.314 1.00 0.60 C ATOM 1732 O GLY A 109 -9.796 4.555 2.016 1.00 0.72 O ATOM 0 H GLY A 109 -9.136 6.112 -1.694 1.00 0.43 H new ATOM 0 HA2 GLY A 109 -11.062 6.213 -0.430 1.00 0.52 H new ATOM 0 HA3 GLY A 109 -10.999 4.469 -0.273 1.00 0.52 H new ATOM 1736 N ASN A 110 -9.820 6.739 1.778 1.00 0.59 N ATOM 1737 CA ASN A 110 -9.401 6.943 3.194 1.00 0.75 C ATOM 1738 C ASN A 110 -10.643 7.005 4.079 1.00 0.85 C ATOM 1739 O ASN A 110 -10.575 7.357 5.239 1.00 0.99 O ATOM 1740 CB ASN A 110 -8.623 8.255 3.324 1.00 0.79 C ATOM 1741 CG ASN A 110 -7.865 8.277 4.654 1.00 1.36 C ATOM 1742 OD1 ASN A 110 -6.669 8.072 4.687 1.00 1.91 O ATOM 1743 ND2 ASN A 110 -8.515 8.515 5.760 1.00 2.12 N ATOM 0 H ASN A 110 -9.959 7.593 1.239 1.00 0.59 H new ATOM 0 HA ASN A 110 -8.763 6.115 3.504 1.00 0.75 H new ATOM 0 HB2 ASN A 110 -7.924 8.358 2.494 1.00 0.79 H new ATOM 0 HB3 ASN A 110 -9.308 9.102 3.271 1.00 0.79 H new ATOM 0 HD21 ASN A 110 -8.018 8.529 6.651 1.00 2.12 H new ATOM 0 HD22 ASN A 110 -9.520 8.687 5.734 1.00 2.12 H new ATOM 1750 N LEU A 111 -11.781 6.660 3.546 1.00 0.86 N ATOM 1751 CA LEU A 111 -13.017 6.700 4.370 1.00 1.01 C ATOM 1752 C LEU A 111 -12.964 5.531 5.365 1.00 1.14 C ATOM 1753 O LEU A 111 -12.467 4.473 5.032 1.00 1.17 O ATOM 1754 CB LEU A 111 -14.245 6.535 3.467 1.00 1.12 C ATOM 1755 CG LEU A 111 -14.018 7.263 2.140 1.00 1.35 C ATOM 1756 CD1 LEU A 111 -15.313 7.255 1.326 1.00 2.06 C ATOM 1757 CD2 LEU A 111 -13.600 8.708 2.417 1.00 1.79 C ATOM 0 H LEU A 111 -11.907 6.354 2.581 1.00 0.86 H new ATOM 0 HA LEU A 111 -13.086 7.652 4.897 1.00 1.01 H new ATOM 0 HB2 LEU A 111 -14.433 5.477 3.284 1.00 1.12 H new ATOM 0 HB3 LEU A 111 -15.129 6.934 3.964 1.00 1.12 H new ATOM 0 HG LEU A 111 -13.232 6.758 1.578 1.00 1.35 H new ATOM 0 HD11 LEU A 111 -15.152 7.773 0.381 1.00 2.06 H new ATOM 0 HD12 LEU A 111 -15.612 6.226 1.129 1.00 2.06 H new ATOM 0 HD13 LEU A 111 -16.099 7.760 1.888 1.00 2.06 H new ATOM 0 HD21 LEU A 111 -13.438 9.227 1.472 1.00 1.79 H new ATOM 0 HD22 LEU A 111 -14.386 9.213 2.979 1.00 1.79 H new ATOM 0 HD23 LEU A 111 -12.678 8.715 2.998 1.00 1.79 H new ATOM 1769 N PRO A 112 -13.464 5.687 6.573 1.00 1.36 N ATOM 1770 CA PRO A 112 -13.436 4.581 7.562 1.00 1.59 C ATOM 1771 C PRO A 112 -13.845 3.257 6.919 1.00 1.63 C ATOM 1772 O PRO A 112 -14.810 3.189 6.184 1.00 1.78 O ATOM 1773 CB PRO A 112 -14.463 4.999 8.613 1.00 1.96 C ATOM 1774 CG PRO A 112 -14.548 6.488 8.533 1.00 1.88 C ATOM 1775 CD PRO A 112 -14.096 6.899 7.128 1.00 1.52 C ATOM 0 HA PRO A 112 -12.440 4.423 7.977 1.00 1.59 H new ATOM 0 HB2 PRO A 112 -15.432 4.541 8.416 1.00 1.96 H new ATOM 0 HB3 PRO A 112 -14.156 4.678 9.608 1.00 1.96 H new ATOM 0 HG2 PRO A 112 -15.567 6.825 8.722 1.00 1.88 H new ATOM 0 HG3 PRO A 112 -13.914 6.950 9.290 1.00 1.88 H new ATOM 0 HD2 PRO A 112 -14.940 7.221 6.518 1.00 1.52 H new ATOM 0 HD3 PRO A 112 -13.393 7.731 7.165 1.00 1.52 H new ATOM 1783 N LEU A 113 -13.128 2.205 7.185 1.00 1.69 N ATOM 1784 CA LEU A 113 -13.497 0.901 6.577 1.00 1.87 C ATOM 1785 C LEU A 113 -14.790 0.412 7.217 1.00 2.24 C ATOM 1786 O LEU A 113 -14.972 0.492 8.416 1.00 2.38 O ATOM 1787 CB LEU A 113 -12.387 -0.124 6.828 1.00 1.96 C ATOM 1788 CG LEU A 113 -11.063 0.399 6.264 1.00 2.10 C ATOM 1789 CD1 LEU A 113 -9.948 -0.614 6.541 1.00 2.66 C ATOM 1790 CD2 LEU A 113 -11.189 0.604 4.751 1.00 2.17 C ATOM 0 H LEU A 113 -12.309 2.191 7.792 1.00 1.69 H new ATOM 0 HA LEU A 113 -13.632 1.023 5.502 1.00 1.87 H new ATOM 0 HB2 LEU A 113 -12.288 -0.313 7.897 1.00 1.96 H new ATOM 0 HB3 LEU A 113 -12.643 -1.074 6.359 1.00 1.96 H new ATOM 0 HG LEU A 113 -10.824 1.348 6.743 1.00 2.10 H new ATOM 0 HD11 LEU A 113 -9.007 -0.239 6.138 1.00 2.66 H new ATOM 0 HD12 LEU A 113 -9.849 -0.761 7.616 1.00 2.66 H new ATOM 0 HD13 LEU A 113 -10.193 -1.564 6.066 1.00 2.66 H new ATOM 0 HD21 LEU A 113 -10.244 0.976 4.354 1.00 2.17 H new ATOM 0 HD22 LEU A 113 -11.434 -0.345 4.274 1.00 2.17 H new ATOM 0 HD23 LEU A 113 -11.979 1.327 4.546 1.00 2.17 H new ATOM 1802 N LEU A 114 -15.689 -0.100 6.430 1.00 2.64 N ATOM 1803 CA LEU A 114 -16.965 -0.599 7.001 1.00 3.09 C ATOM 1804 C LEU A 114 -16.687 -1.926 7.696 1.00 3.14 C ATOM 1805 O LEU A 114 -15.842 -2.689 7.272 1.00 3.12 O ATOM 1806 CB LEU A 114 -17.989 -0.807 5.883 1.00 3.70 C ATOM 1807 CG LEU A 114 -17.370 -1.658 4.774 1.00 3.87 C ATOM 1808 CD1 LEU A 114 -18.261 -2.872 4.505 1.00 4.61 C ATOM 1809 CD2 LEU A 114 -17.251 -0.822 3.498 1.00 4.02 C ATOM 0 H LEU A 114 -15.596 -0.194 5.419 1.00 2.64 H new ATOM 0 HA LEU A 114 -17.367 0.124 7.711 1.00 3.09 H new ATOM 0 HB2 LEU A 114 -18.879 -1.297 6.278 1.00 3.70 H new ATOM 0 HB3 LEU A 114 -18.306 0.156 5.483 1.00 3.70 H new ATOM 0 HG LEU A 114 -16.381 -1.995 5.083 1.00 3.87 H new ATOM 0 HD11 LEU A 114 -17.820 -3.479 3.714 1.00 4.61 H new ATOM 0 HD12 LEU A 114 -18.348 -3.468 5.414 1.00 4.61 H new ATOM 0 HD13 LEU A 114 -19.250 -2.536 4.195 1.00 4.61 H new ATOM 0 HD21 LEU A 114 -16.810 -1.427 2.706 1.00 4.02 H new ATOM 0 HD22 LEU A 114 -18.241 -0.486 3.189 1.00 4.02 H new ATOM 0 HD23 LEU A 114 -16.617 0.044 3.688 1.00 4.02 H new ATOM 1821 N LYS A 115 -17.370 -2.212 8.765 1.00 3.44 N ATOM 1822 CA LYS A 115 -17.105 -3.492 9.466 1.00 3.71 C ATOM 1823 C LYS A 115 -17.701 -4.636 8.650 1.00 4.10 C ATOM 1824 O LYS A 115 -18.903 -4.766 8.523 1.00 4.46 O ATOM 1825 CB LYS A 115 -17.731 -3.454 10.863 1.00 4.10 C ATOM 1826 CG LYS A 115 -17.212 -2.221 11.611 1.00 4.38 C ATOM 1827 CD LYS A 115 -16.765 -2.612 13.025 1.00 4.81 C ATOM 1828 CE LYS A 115 -17.956 -3.138 13.828 1.00 5.64 C ATOM 1829 NZ LYS A 115 -17.991 -2.461 15.156 1.00 5.97 N ATOM 0 H LYS A 115 -18.092 -1.622 9.179 1.00 3.44 H new ATOM 0 HA LYS A 115 -16.031 -3.644 9.570 1.00 3.71 H new ATOM 0 HB2 LYS A 115 -18.818 -3.418 10.787 1.00 4.10 H new ATOM 0 HB3 LYS A 115 -17.479 -4.361 11.413 1.00 4.10 H new ATOM 0 HG2 LYS A 115 -16.377 -1.780 11.066 1.00 4.38 H new ATOM 0 HG3 LYS A 115 -17.993 -1.463 11.665 1.00 4.38 H new ATOM 0 HD2 LYS A 115 -15.988 -3.375 12.971 1.00 4.81 H new ATOM 0 HD3 LYS A 115 -16.330 -1.749 13.529 1.00 4.81 H new ATOM 0 HE2 LYS A 115 -18.884 -2.953 13.288 1.00 5.64 H new ATOM 0 HE3 LYS A 115 -17.873 -4.217 13.959 1.00 5.64 H new ATOM 0 HZ1 LYS A 115 -18.800 -2.816 15.705 1.00 5.97 H new ATOM 0 HZ2 LYS A 115 -17.109 -2.660 15.670 1.00 5.97 H new ATOM 0 HZ3 LYS A 115 -18.089 -1.435 15.020 1.00 5.97 H new ATOM 1843 N LEU A 116 -16.862 -5.467 8.093 1.00 4.23 N ATOM 1844 CA LEU A 116 -17.367 -6.606 7.280 1.00 4.80 C ATOM 1845 C LEU A 116 -17.757 -7.737 8.221 1.00 5.29 C ATOM 1846 O LEU A 116 -18.388 -8.700 7.834 1.00 5.80 O ATOM 1847 CB LEU A 116 -16.264 -7.083 6.334 1.00 4.97 C ATOM 1848 CG LEU A 116 -15.045 -7.511 7.154 1.00 5.54 C ATOM 1849 CD1 LEU A 116 -14.923 -9.035 7.131 1.00 6.14 C ATOM 1850 CD2 LEU A 116 -13.782 -6.890 6.552 1.00 5.79 C ATOM 0 H LEU A 116 -15.847 -5.404 8.167 1.00 4.23 H new ATOM 0 HA LEU A 116 -18.231 -6.295 6.693 1.00 4.80 H new ATOM 0 HB2 LEU A 116 -16.622 -7.917 5.731 1.00 4.97 H new ATOM 0 HB3 LEU A 116 -15.990 -6.285 5.644 1.00 4.97 H new ATOM 0 HG LEU A 116 -15.163 -7.172 8.183 1.00 5.54 H new ATOM 0 HD11 LEU A 116 -14.055 -9.339 7.715 1.00 6.14 H new ATOM 0 HD12 LEU A 116 -15.822 -9.478 7.559 1.00 6.14 H new ATOM 0 HD13 LEU A 116 -14.805 -9.375 6.102 1.00 6.14 H new ATOM 0 HD21 LEU A 116 -12.913 -7.194 7.136 1.00 5.79 H new ATOM 0 HD22 LEU A 116 -13.665 -7.229 5.523 1.00 5.79 H new ATOM 0 HD23 LEU A 116 -13.867 -5.803 6.568 1.00 5.79 H new ATOM 1862 N GLU A 117 -17.402 -7.607 9.463 1.00 5.26 N ATOM 1863 CA GLU A 117 -17.761 -8.645 10.458 1.00 5.86 C ATOM 1864 C GLU A 117 -19.227 -8.446 10.824 1.00 6.14 C ATOM 1865 O GLU A 117 -19.904 -7.615 10.252 1.00 5.96 O ATOM 1866 CB GLU A 117 -16.909 -8.452 11.712 1.00 5.99 C ATOM 1867 CG GLU A 117 -15.433 -8.343 11.325 1.00 6.26 C ATOM 1868 CD GLU A 117 -14.587 -8.187 12.591 1.00 6.53 C ATOM 1869 OE1 GLU A 117 -15.169 -8.072 13.658 1.00 6.62 O ATOM 1870 OE2 GLU A 117 -13.374 -8.178 12.471 1.00 6.92 O ATOM 0 H GLU A 117 -16.873 -6.818 9.835 1.00 5.26 H new ATOM 0 HA GLU A 117 -17.592 -9.642 10.052 1.00 5.86 H new ATOM 0 HB2 GLU A 117 -17.223 -7.552 12.241 1.00 5.99 H new ATOM 0 HB3 GLU A 117 -17.055 -9.290 12.394 1.00 5.99 H new ATOM 0 HG2 GLU A 117 -15.123 -9.231 10.774 1.00 6.26 H new ATOM 0 HG3 GLU A 117 -15.281 -7.489 10.665 1.00 6.26 H new ATOM 1877 N HIS A 118 -19.722 -9.160 11.789 1.00 6.70 N ATOM 1878 CA HIS A 118 -21.135 -8.944 12.184 1.00 7.09 C ATOM 1879 C HIS A 118 -21.152 -7.735 13.114 1.00 7.31 C ATOM 1880 O HIS A 118 -20.668 -7.790 14.228 1.00 7.69 O ATOM 1881 CB HIS A 118 -21.670 -10.181 12.909 1.00 7.69 C ATOM 1882 CG HIS A 118 -22.144 -11.187 11.895 1.00 7.76 C ATOM 1883 ND1 HIS A 118 -21.692 -11.183 10.584 1.00 7.88 N ATOM 1884 CD2 HIS A 118 -23.029 -12.234 11.983 1.00 8.05 C ATOM 1885 CE1 HIS A 118 -22.301 -12.197 9.942 1.00 8.23 C ATOM 1886 NE2 HIS A 118 -23.126 -12.870 10.749 1.00 8.34 N ATOM 0 H HIS A 118 -19.218 -9.874 12.315 1.00 6.70 H new ATOM 0 HA HIS A 118 -21.767 -8.772 11.312 1.00 7.09 H new ATOM 0 HB2 HIS A 118 -20.890 -10.617 13.533 1.00 7.69 H new ATOM 0 HB3 HIS A 118 -22.489 -9.902 13.572 1.00 7.69 H new ATOM 0 HD2 HIS A 118 -23.568 -12.520 12.874 1.00 8.05 H new ATOM 0 HE1 HIS A 118 -22.142 -12.437 8.901 1.00 8.23 H new ATOM 0 HE2 HIS A 118 -23.703 -13.677 10.512 1.00 8.34 H new ATOM 1894 N HIS A 119 -21.665 -6.629 12.653 1.00 7.28 N ATOM 1895 CA HIS A 119 -21.664 -5.405 13.500 1.00 7.69 C ATOM 1896 C HIS A 119 -22.812 -5.463 14.502 1.00 8.11 C ATOM 1897 O HIS A 119 -22.628 -5.832 15.644 1.00 8.49 O ATOM 1898 CB HIS A 119 -21.829 -4.180 12.595 1.00 7.73 C ATOM 1899 CG HIS A 119 -21.960 -2.940 13.435 1.00 7.69 C ATOM 1900 ND1 HIS A 119 -21.655 -2.925 14.786 1.00 8.08 N ATOM 1901 CD2 HIS A 119 -22.356 -1.663 13.125 1.00 7.66 C ATOM 1902 CE1 HIS A 119 -21.872 -1.675 15.236 1.00 8.28 C ATOM 1903 NE2 HIS A 119 -22.300 -0.865 14.264 1.00 8.05 N ATOM 0 H HIS A 119 -22.084 -6.520 11.729 1.00 7.28 H new ATOM 0 HA HIS A 119 -20.724 -5.339 14.048 1.00 7.69 H new ATOM 0 HB2 HIS A 119 -20.971 -4.090 11.929 1.00 7.73 H new ATOM 0 HB3 HIS A 119 -22.710 -4.298 11.965 1.00 7.73 H new ATOM 0 HD2 HIS A 119 -22.664 -1.328 12.146 1.00 7.66 H new ATOM 0 HE1 HIS A 119 -21.719 -1.365 16.259 1.00 8.28 H new ATOM 0 HE2 HIS A 119 -22.535 0.125 14.340 1.00 8.05 H new ATOM 1911 N HIS A 120 -23.997 -5.108 14.094 1.00 8.18 N ATOM 1912 CA HIS A 120 -25.147 -5.154 15.040 1.00 8.68 C ATOM 1913 C HIS A 120 -26.433 -4.790 14.303 1.00 8.51 C ATOM 1914 O HIS A 120 -26.410 -4.210 13.235 1.00 8.64 O ATOM 1915 CB HIS A 120 -24.930 -4.165 16.194 1.00 9.22 C ATOM 1916 CG HIS A 120 -25.315 -4.818 17.494 1.00 9.49 C ATOM 1917 ND1 HIS A 120 -24.925 -6.108 17.821 1.00 9.78 N ATOM 1918 CD2 HIS A 120 -26.056 -4.371 18.560 1.00 9.80 C ATOM 1919 CE1 HIS A 120 -25.429 -6.389 19.036 1.00 10.23 C ATOM 1920 NE2 HIS A 120 -26.127 -5.364 19.532 1.00 10.27 N ATOM 0 H HIS A 120 -24.220 -4.789 13.151 1.00 8.18 H new ATOM 0 HA HIS A 120 -25.225 -6.163 15.444 1.00 8.68 H new ATOM 0 HB2 HIS A 120 -23.886 -3.852 16.227 1.00 9.22 H new ATOM 0 HB3 HIS A 120 -25.527 -3.267 16.035 1.00 9.22 H new ATOM 0 HD1 HIS A 120 -24.359 -6.731 17.245 1.00 9.78 H new ATOM 0 HD2 HIS A 120 -26.514 -3.396 18.633 1.00 9.80 H new ATOM 0 HE1 HIS A 120 -25.287 -7.329 19.548 1.00 10.23 H new ATOM 1928 N HIS A 121 -27.553 -5.126 14.872 1.00 8.49 N ATOM 1929 CA HIS A 121 -28.852 -4.808 14.225 1.00 8.60 C ATOM 1930 C HIS A 121 -29.979 -5.248 15.172 1.00 8.69 C ATOM 1931 O HIS A 121 -30.996 -5.775 14.771 1.00 8.64 O ATOM 1932 CB HIS A 121 -28.929 -5.536 12.871 1.00 8.83 C ATOM 1933 CG HIS A 121 -29.011 -4.518 11.766 1.00 9.15 C ATOM 1934 ND1 HIS A 121 -27.934 -3.720 11.415 1.00 9.43 N ATOM 1935 CD2 HIS A 121 -30.035 -4.156 10.925 1.00 9.54 C ATOM 1936 CE1 HIS A 121 -28.330 -2.925 10.404 1.00 9.94 C ATOM 1937 NE2 HIS A 121 -29.602 -3.150 10.066 1.00 10.04 N ATOM 0 H HIS A 121 -27.625 -5.612 15.766 1.00 8.49 H new ATOM 0 HA HIS A 121 -28.952 -3.739 14.036 1.00 8.60 H new ATOM 0 HB2 HIS A 121 -28.052 -6.169 12.734 1.00 8.83 H new ATOM 0 HB3 HIS A 121 -29.801 -6.190 12.845 1.00 8.83 H new ATOM 0 HD1 HIS A 121 -27.009 -3.733 11.845 1.00 9.43 H new ATOM 0 HD2 HIS A 121 -31.025 -4.587 10.930 1.00 9.54 H new ATOM 0 HE1 HIS A 121 -27.696 -2.194 9.924 1.00 9.94 H new ATOM 1945 N HIS A 122 -29.791 -5.021 16.446 1.00 9.08 N ATOM 1946 CA HIS A 122 -30.820 -5.412 17.455 1.00 9.45 C ATOM 1947 C HIS A 122 -30.898 -6.940 17.536 1.00 9.67 C ATOM 1948 O HIS A 122 -31.707 -7.495 18.253 1.00 9.83 O ATOM 1949 CB HIS A 122 -32.191 -4.832 17.072 1.00 9.99 C ATOM 1950 CG HIS A 122 -33.138 -5.942 16.703 1.00 10.38 C ATOM 1951 ND1 HIS A 122 -33.224 -6.448 15.415 1.00 10.56 N ATOM 1952 CD2 HIS A 122 -34.052 -6.650 17.444 1.00 10.89 C ATOM 1953 CE1 HIS A 122 -34.159 -7.415 15.420 1.00 11.14 C ATOM 1954 NE2 HIS A 122 -34.696 -7.579 16.632 1.00 11.35 N ATOM 0 H HIS A 122 -28.959 -4.576 16.834 1.00 9.08 H new ATOM 0 HA HIS A 122 -30.537 -5.012 18.429 1.00 9.45 H new ATOM 0 HB2 HIS A 122 -32.598 -4.259 17.905 1.00 9.99 H new ATOM 0 HB3 HIS A 122 -32.082 -4.143 16.234 1.00 9.99 H new ATOM 0 HD1 HIS A 122 -32.677 -6.142 14.610 1.00 10.56 H new ATOM 0 HD2 HIS A 122 -34.242 -6.507 18.498 1.00 10.89 H new ATOM 0 HE1 HIS A 122 -34.441 -7.989 14.550 1.00 11.14 H new ATOM 1962 N HIS A 123 -30.049 -7.625 16.819 1.00 9.93 N ATOM 1963 CA HIS A 123 -30.065 -9.115 16.867 1.00 10.44 C ATOM 1964 C HIS A 123 -29.390 -9.590 18.155 1.00 10.66 C ATOM 1965 O HIS A 123 -28.898 -8.748 18.889 1.00 10.80 O ATOM 1966 CB HIS A 123 -29.309 -9.676 15.660 1.00 10.96 C ATOM 1967 CG HIS A 123 -30.245 -9.787 14.489 1.00 11.57 C ATOM 1968 ND1 HIS A 123 -31.367 -10.600 14.516 1.00 11.93 N ATOM 1969 CD2 HIS A 123 -30.239 -9.197 13.250 1.00 12.09 C ATOM 1970 CE1 HIS A 123 -31.984 -10.479 13.326 1.00 12.62 C ATOM 1971 NE2 HIS A 123 -31.338 -9.635 12.517 1.00 12.74 N ATOM 1972 OXT HIS A 123 -29.375 -10.788 18.386 1.00 10.89 O ATOM 0 H HIS A 123 -29.346 -7.218 16.203 1.00 9.93 H new ATOM 0 HA HIS A 123 -31.096 -9.467 16.844 1.00 10.44 H new ATOM 0 HB2 HIS A 123 -28.471 -9.026 15.409 1.00 10.96 H new ATOM 0 HB3 HIS A 123 -28.893 -10.654 15.901 1.00 10.96 H new ATOM 0 HD2 HIS A 123 -29.494 -8.499 12.897 1.00 12.09 H new ATOM 0 HE1 HIS A 123 -32.891 -11.001 13.058 1.00 12.62 H new ATOM 0 HE2 HIS A 123 -31.595 -9.369 11.566 1.00 12.74 H new TER 1980 HIS A 123 END