USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 518 hydrogens (32 hets) HEADER ELECTRON TRANSPORT 03-OCT-01 1K3H TITLE NMR SOLUTION STRUCTURE OF OXIDIZED CYTOCHROME C-553 FROM TITLE 2 BACILLUS PASTEURII COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C-553; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 22-92; COMPND 5 SYNONYM: C553; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SPOROSARCINA PASTEURII; SOURCE 3 ORGANISM_TAXID: 1474; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: DH5ALPHA; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PEC86 KEYWDS C-553, HEME, CYTOCHROME, BACILLUS PASTEURII, ELECTRON KEYWDS 2 TRANSFER, ELECTRON TRANSPORT EXPDTA SOLUTION NMR AUTHOR L.BANCI,I.BERTINI,S.CIURLI,A.DIKIY,J.DITTMER,A.ROSATO, AUTHOR 2 G.SCIARA,A.R.THOMPSETT REVDAT 4 24-FEB-09 1K3H 1 VERSN REVDAT 3 01-APR-03 1K3H 1 JRNL REVDAT 2 17-APR-02 1K3H 1 JRNL REVDAT 1 31-OCT-01 1K3H 0 JRNL AUTH L.BANCI,I.BERTINI,S.CIURLI,A.DIKIY,J.DITTMER, JRNL AUTH 2 A.ROSATO,G.SCIARA,A.R.THOMPSETT JRNL TITL NMR SOLUTION STRUCTURE, BACKBONE MOBILITY, AND JRNL TITL 2 HOMOLOGY MODELING OF C-TYPE CYTOCHROMES FROM JRNL TITL 3 GRAM-POSITIVE BACTERIA. JRNL REF CHEMBIOCHEM V. 3 299 2002 JRNL REFN ISSN 1439-4227 JRNL PMID 11933230 JRNL DOI 10.1002/1439-7633(20020402)3:4<299::AID-CBIC299>3.0 JRNL DOI 2 .CO;2-0 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.BENINI,A.GONZALEZ,W.R.RYPNIEWSKI,K.S.WILSON, REMARK 1 AUTH 2 J.J.VAN BEEUMEN,S.CIURLI REMARK 1 TITL CRYSTAL STRUCTURE OF OXIDIZED BACILLUS PASTEURII REMARK 1 TITL 2 CYTOCHROME C-553 AT 0.97-A RESOLUTION REMARK 1 REF BIOCHEMISTRY V. 39 13115 2000 REMARK 1 REFN ISSN 0006-2960 REMARK 1 DOI 10.1021/BI000402J REMARK 1 REFERENCE 2 REMARK 1 AUTH S.BENINI,M.BORSARI,S.CIURLI,A.DIKIY,M.LAMBORGHINI REMARK 1 TITL MODULATION OF BACILLUS PASTEURII CYTOCHROME C553 REMARK 1 TITL 2 REDUCTION POTENTIAL BY STRUCTURAL AND SOLUTION REMARK 1 TITL 3 PARAMETERS REMARK 1 REF J.BIOL.INORG.CHEM. V. 3 371 1998 REMARK 1 REFN ISSN 0949-8257 REMARK 1 DOI 10.1007/S007750050247 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: PSEUDOCONTACT SHIFTS WERE INCLUDED REMARK 3 AS CONSTRAINTS BY MEANS OF MODIFIED DYANA AND SANDER MODULES REMARK 3 (PSEUDODYANA, PSEUDOREM) (BANCI ET AL., 1997) REMARK 4 REMARK 4 1K3H COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-OCT-01. REMARK 100 THE RCSB ID CODE IS RCSB014513. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 7.5 REMARK 210 IONIC STRENGTH : 10 MM PHOSPHATE BUFFER REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1-3 MM OXIDIZED CYTOCHROME C- REMARK 210 553 IN 10 MM PHOSPHATE BUFFER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, HNHA, 1D NOE REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 700 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.6, XEASY 1.3.13, REMARK 210 DYANA 1.5 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS, REMARK 210 RESTRAINED ENERGY MINIMIZATION 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 LYS A 31 -43.08 -161.62 REMARK 500 SER A 34 -37.84 -39.76 REMARK 500 ALA A 43 -82.34 -165.12 REMARK 500 GLN A 68 130.03 175.33 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEC A 93 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 36 NE2 REMARK 620 2 MET A 71 SD 172.3 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 93 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1K3G RELATED DB: PDB REMARK 900 1K3G IS THE MINIMIZED FAMILY (30 CONFORMERS) OF OXIDIZED REMARK 900 CYTOCHROME C-553 FROM B. PASTEURII. REMARK 900 RELATED ID: 1C75 RELATED DB: PDB REMARK 900 1C75 IS THE X-RAY STRUCTURE OF THE CYTOCHROME C-553 FROM B. REMARK 900 PASTEURII. DBREF 1K3H A 22 92 UNP P82599 CY553_BACPA 22 92 SEQRES 1 A 71 VAL ASP ALA GLU ALA VAL VAL GLN GLN LYS CYS ILE SER SEQRES 2 A 71 CYS HIS GLY GLY ASP LEU THR GLY ALA SER ALA PRO ALA SEQRES 3 A 71 ILE ASP LYS ALA GLY ALA ASN TYR SER GLU GLU GLU ILE SEQRES 4 A 71 LEU ASP ILE ILE LEU ASN GLY GLN GLY GLY MET PRO GLY SEQRES 5 A 71 GLY ILE ALA LYS GLY ALA GLU ALA GLU ALA VAL ALA ALA SEQRES 6 A 71 TRP LEU ALA GLU LYS LYS HET HEC A 93 75 HETNAM HEC HEME C FORMUL 2 HEC C34 H34 FE N4 O4 HELIX 1 1 ASP A 23 GLN A 30 1 8 HELIX 2 2 CYS A 32 GLY A 37 1 6 HELIX 3 3 LYS A 50 TYR A 55 1 6 HELIX 4 4 SER A 56 GLY A 67 1 12 HELIX 5 5 GLY A 78 LYS A 91 1 14 LINK NE2 HIS A 36 FE HEC A 93 1555 1555 1.97 LINK SG CYS A 32 CAB HEC A 93 1555 1555 1.80 LINK SG CYS A 35 CAC HEC A 93 1555 1555 1.81 LINK SD MET A 71 FE HEC A 93 1555 1555 2.41 SITE *** AC1 17 LYS A 31 CYS A 32 CYS A 35 HIS A 36 SITE *** AC1 17 ALA A 45 PRO A 46 ILE A 48 TYR A 55 SITE *** AC1 17 ILE A 63 ILE A 64 GLN A 68 GLY A 69 SITE *** AC1 17 GLY A 70 MET A 71 ILE A 75 VAL A 84 SITE *** AC1 17 LEU A 88 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 NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 93 HECFE :(H bumps) USER MOD NoAdj-H: A 93 HEC HAC : A 93 HEC CAC : A 35 CYS SG :(H bumps) USER MOD NoAdj-H: A 93 HEC HAB : A 93 HEC CAB : A 32 CYS SG :(H bumps) USER MOD Set 1.1: A 68 GLN :FLIP amide:sc= 0.643 F(o=-0.038,f=1.4) USER MOD Set 1.2: A 93 HEC O2A : rot 92:sc= 0.712 USER MOD Single : A 29 GLN : amide:sc= -0.0858 X(o=-0.086,f=-0.0084) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -100:sc= 0.00197! (180deg=-1.08!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0977 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.806 K(o=0.81,f=0) USER MOD Single : A 55 TYR OH : rot -168:sc= 1.33 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.255 K(o=0.25,f=-0.51) USER MOD Single : A 71 MET CE :methyl 179:sc= 0 (180deg=-0.001) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= -1.3 (180deg=-1.49) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HEC O2D : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 22 11.739 -0.203 -8.887 1.00 10.00 N ATOM 2 CA VAL A 22 10.613 -1.047 -9.319 1.00 10.00 C ATOM 3 C VAL A 22 9.403 -0.141 -9.509 1.00 10.00 C ATOM 4 O VAL A 22 9.292 0.859 -8.803 1.00 10.00 O ATOM 5 CB VAL A 22 10.348 -2.174 -8.299 1.00 10.00 C ATOM 6 CG1 VAL A 22 8.936 -2.758 -8.416 1.00 10.00 C ATOM 7 CG2 VAL A 22 11.358 -3.313 -8.486 1.00 10.00 C ATOM 0 HA VAL A 22 10.841 -1.544 -10.262 1.00 10.00 H new ATOM 0 HB VAL A 22 10.453 -1.722 -7.312 1.00 10.00 H new ATOM 0 HG11 VAL A 22 8.806 -3.546 -7.675 1.00 10.00 H new ATOM 0 HG12 VAL A 22 8.201 -1.972 -8.242 1.00 10.00 H new ATOM 0 HG13 VAL A 22 8.795 -3.172 -9.414 1.00 10.00 H new ATOM 0 HG21 VAL A 22 11.158 -4.100 -7.759 1.00 10.00 H new ATOM 0 HG22 VAL A 22 11.267 -3.718 -9.494 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.368 -2.931 -8.338 1.00 10.00 H new ATOM 19 N ASP A 23 8.543 -0.470 -10.471 1.00 10.00 N ATOM 20 CA ASP A 23 7.416 0.358 -10.849 1.00 10.00 C ATOM 21 C ASP A 23 6.343 0.240 -9.772 1.00 10.00 C ATOM 22 O ASP A 23 5.525 -0.680 -9.787 1.00 10.00 O ATOM 23 CB ASP A 23 6.900 -0.095 -12.221 1.00 10.00 C ATOM 24 CG ASP A 23 7.846 0.275 -13.356 1.00 10.00 C ATOM 25 OD1 ASP A 23 9.070 0.113 -13.149 1.00 10.00 O ATOM 26 OD2 ASP A 23 7.325 0.694 -14.409 1.00 10.00 O ATOM 0 H ASP A 23 8.616 -1.331 -11.012 1.00 10.00 H new ATOM 0 HA ASP A 23 7.707 1.405 -10.930 1.00 10.00 H new ATOM 0 HB2 ASP A 23 6.755 -1.175 -12.212 1.00 10.00 H new ATOM 0 HB3 ASP A 23 5.925 0.356 -12.405 1.00 10.00 H new ATOM 31 N ALA A 24 6.343 1.206 -8.852 1.00 10.00 N ATOM 32 CA ALA A 24 5.380 1.324 -7.769 1.00 10.00 C ATOM 33 C ALA A 24 3.955 1.074 -8.262 1.00 10.00 C ATOM 34 O ALA A 24 3.222 0.263 -7.700 1.00 10.00 O ATOM 35 CB ALA A 24 5.486 2.728 -7.175 1.00 10.00 C ATOM 0 H ALA A 24 7.040 1.951 -8.845 1.00 10.00 H new ATOM 0 HA ALA A 24 5.604 0.572 -7.012 1.00 10.00 H new ATOM 0 HB1 ALA A 24 4.770 2.833 -6.360 1.00 10.00 H new ATOM 0 HB2 ALA A 24 6.495 2.887 -6.794 1.00 10.00 H new ATOM 0 HB3 ALA A 24 5.269 3.467 -7.947 1.00 10.00 H new ATOM 41 N GLU A 25 3.569 1.777 -9.326 1.00 10.00 N ATOM 42 CA GLU A 25 2.221 1.707 -9.856 1.00 10.00 C ATOM 43 C GLU A 25 1.925 0.286 -10.342 1.00 10.00 C ATOM 44 O GLU A 25 0.887 -0.277 -10.007 1.00 10.00 O ATOM 45 CB GLU A 25 1.982 2.773 -10.942 1.00 10.00 C ATOM 46 CG GLU A 25 3.052 3.877 -11.012 1.00 10.00 C ATOM 47 CD GLU A 25 2.524 5.107 -11.737 1.00 10.00 C ATOM 48 OE1 GLU A 25 2.124 4.942 -12.908 1.00 10.00 O ATOM 49 OE2 GLU A 25 2.511 6.180 -11.092 1.00 10.00 O ATOM 0 H GLU A 25 4.185 2.408 -9.839 1.00 10.00 H new ATOM 0 HA GLU A 25 1.515 1.935 -9.058 1.00 10.00 H new ATOM 0 HB2 GLU A 25 1.928 2.278 -11.911 1.00 10.00 H new ATOM 0 HB3 GLU A 25 1.012 3.238 -10.767 1.00 10.00 H new ATOM 0 HG2 GLU A 25 3.363 4.151 -10.004 1.00 10.00 H new ATOM 0 HG3 GLU A 25 3.936 3.499 -11.526 1.00 10.00 H new ATOM 56 N ALA A 26 2.847 -0.315 -11.101 1.00 10.00 N ATOM 57 CA ALA A 26 2.693 -1.676 -11.601 1.00 10.00 C ATOM 58 C ALA A 26 2.518 -2.660 -10.444 1.00 10.00 C ATOM 59 O ALA A 26 1.623 -3.503 -10.466 1.00 10.00 O ATOM 60 CB ALA A 26 3.893 -2.068 -12.464 1.00 10.00 C ATOM 0 H ALA A 26 3.719 0.132 -11.383 1.00 10.00 H new ATOM 0 HA ALA A 26 1.796 -1.715 -12.220 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.762 -3.087 -12.829 1.00 10.00 H new ATOM 0 HB2 ALA A 26 3.970 -1.386 -13.311 1.00 10.00 H new ATOM 0 HB3 ALA A 26 4.804 -2.011 -11.868 1.00 10.00 H new ATOM 66 N VAL A 27 3.366 -2.547 -9.418 1.00 10.00 N ATOM 67 CA VAL A 27 3.239 -3.362 -8.220 1.00 10.00 C ATOM 68 C VAL A 27 1.846 -3.185 -7.629 1.00 10.00 C ATOM 69 O VAL A 27 1.141 -4.164 -7.410 1.00 10.00 O ATOM 70 CB VAL A 27 4.324 -2.978 -7.201 1.00 10.00 C ATOM 71 CG1 VAL A 27 4.075 -3.625 -5.832 1.00 10.00 C ATOM 72 CG2 VAL A 27 5.702 -3.412 -7.707 1.00 10.00 C ATOM 0 H VAL A 27 4.149 -1.894 -9.399 1.00 10.00 H new ATOM 0 HA VAL A 27 3.376 -4.412 -8.478 1.00 10.00 H new ATOM 0 HB VAL A 27 4.288 -1.895 -7.086 1.00 10.00 H new ATOM 0 HG11 VAL A 27 4.864 -3.329 -5.141 1.00 10.00 H new ATOM 0 HG12 VAL A 27 3.111 -3.297 -5.444 1.00 10.00 H new ATOM 0 HG13 VAL A 27 4.074 -4.710 -5.937 1.00 10.00 H new ATOM 0 HG21 VAL A 27 6.462 -3.134 -6.976 1.00 10.00 H new ATOM 0 HG22 VAL A 27 5.713 -4.493 -7.850 1.00 10.00 H new ATOM 0 HG23 VAL A 27 5.913 -2.918 -8.656 1.00 10.00 H new ATOM 82 N VAL A 28 1.448 -1.943 -7.358 1.00 10.00 N ATOM 83 CA VAL A 28 0.160 -1.628 -6.756 1.00 10.00 C ATOM 84 C VAL A 28 -0.975 -2.277 -7.545 1.00 10.00 C ATOM 85 O VAL A 28 -1.819 -2.975 -6.968 1.00 10.00 O ATOM 86 CB VAL A 28 0.054 -0.101 -6.625 1.00 10.00 C ATOM 87 CG1 VAL A 28 -1.364 0.420 -6.395 1.00 10.00 C ATOM 88 CG2 VAL A 28 0.949 0.332 -5.460 1.00 10.00 C ATOM 0 H VAL A 28 2.019 -1.121 -7.553 1.00 10.00 H new ATOM 0 HA VAL A 28 0.074 -2.047 -5.753 1.00 10.00 H new ATOM 0 HB VAL A 28 0.370 0.326 -7.577 1.00 10.00 H new ATOM 0 HG11 VAL A 28 -1.344 1.507 -6.315 1.00 10.00 H new ATOM 0 HG12 VAL A 28 -1.999 0.130 -7.232 1.00 10.00 H new ATOM 0 HG13 VAL A 28 -1.763 -0.005 -5.474 1.00 10.00 H new ATOM 0 HG21 VAL A 28 0.895 1.414 -5.342 1.00 10.00 H new ATOM 0 HG22 VAL A 28 0.611 -0.150 -4.543 1.00 10.00 H new ATOM 0 HG23 VAL A 28 1.979 0.041 -5.665 1.00 10.00 H new ATOM 98 N GLN A 29 -0.933 -2.086 -8.866 1.00 10.00 N ATOM 99 CA GLN A 29 -1.832 -2.684 -9.838 1.00 10.00 C ATOM 100 C GLN A 29 -1.890 -4.213 -9.745 1.00 10.00 C ATOM 101 O GLN A 29 -2.872 -4.795 -10.202 1.00 10.00 O ATOM 102 CB GLN A 29 -1.460 -2.231 -11.254 1.00 10.00 C ATOM 103 CG GLN A 29 -1.799 -0.755 -11.519 1.00 10.00 C ATOM 104 CD GLN A 29 -3.291 -0.521 -11.747 1.00 10.00 C ATOM 105 OE1 GLN A 29 -3.804 -0.792 -12.827 1.00 10.00 O ATOM 106 NE2 GLN A 29 -3.997 -0.003 -10.744 1.00 10.00 N ATOM 0 H GLN A 29 -0.236 -1.481 -9.300 1.00 10.00 H new ATOM 0 HA GLN A 29 -2.836 -2.330 -9.601 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -0.393 -2.387 -11.411 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -1.984 -2.854 -11.979 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -1.467 -0.153 -10.673 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -1.245 -0.411 -12.392 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -3.541 0.212 -9.857 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -4.994 0.179 -10.863 1.00 10.00 H new ATOM 115 N GLN A 30 -0.882 -4.874 -9.164 1.00 10.00 N ATOM 116 CA GLN A 30 -0.899 -6.315 -8.956 1.00 10.00 C ATOM 117 C GLN A 30 -0.434 -6.737 -7.562 1.00 10.00 C ATOM 118 O GLN A 30 0.247 -7.748 -7.404 1.00 10.00 O ATOM 119 CB GLN A 30 -0.135 -7.027 -10.088 1.00 10.00 C ATOM 120 CG GLN A 30 -1.148 -7.541 -11.105 1.00 10.00 C ATOM 121 CD GLN A 30 -0.587 -8.668 -11.963 1.00 10.00 C ATOM 122 OE1 GLN A 30 -0.322 -8.496 -13.147 1.00 10.00 O ATOM 123 NE2 GLN A 30 -0.416 -9.846 -11.366 1.00 10.00 N ATOM 0 H GLN A 30 -0.034 -4.419 -8.827 1.00 10.00 H new ATOM 0 HA GLN A 30 -1.939 -6.637 -8.999 1.00 10.00 H new ATOM 0 HB2 GLN A 30 0.564 -6.340 -10.564 1.00 10.00 H new ATOM 0 HB3 GLN A 30 0.453 -7.853 -9.688 1.00 10.00 H new ATOM 0 HG2 GLN A 30 -2.037 -7.894 -10.582 1.00 10.00 H new ATOM 0 HG3 GLN A 30 -1.462 -6.719 -11.749 1.00 10.00 H new ATOM 0 HE21 GLN A 30 -0.646 -9.955 -10.378 1.00 10.00 H new ATOM 0 HE22 GLN A 30 -0.054 -10.639 -11.896 1.00 10.00 H new ATOM 132 N LYS A 31 -0.881 -6.017 -6.534 1.00 10.00 N ATOM 133 CA LYS A 31 -0.720 -6.444 -5.150 1.00 10.00 C ATOM 134 C LYS A 31 -1.690 -5.694 -4.248 1.00 10.00 C ATOM 135 O LYS A 31 -2.254 -6.299 -3.344 1.00 10.00 O ATOM 136 CB LYS A 31 0.728 -6.255 -4.658 1.00 10.00 C ATOM 137 CG LYS A 31 1.618 -7.512 -4.760 1.00 10.00 C ATOM 138 CD LYS A 31 2.859 -7.231 -5.618 1.00 10.00 C ATOM 139 CE LYS A 31 3.623 -8.503 -6.010 1.00 10.00 C ATOM 140 NZ LYS A 31 4.630 -8.902 -5.000 1.00 10.00 N ATOM 0 H LYS A 31 -1.363 -5.124 -6.639 1.00 10.00 H new ATOM 0 HA LYS A 31 -0.945 -7.510 -5.106 1.00 10.00 H new ATOM 0 HB2 LYS A 31 1.190 -5.453 -5.233 1.00 10.00 H new ATOM 0 HB3 LYS A 31 0.703 -5.928 -3.618 1.00 10.00 H new ATOM 0 HG2 LYS A 31 1.924 -7.829 -3.763 1.00 10.00 H new ATOM 0 HG3 LYS A 31 1.048 -8.333 -5.195 1.00 10.00 H new ATOM 0 HD2 LYS A 31 2.556 -6.704 -6.522 1.00 10.00 H new ATOM 0 HD3 LYS A 31 3.528 -6.567 -5.071 1.00 10.00 H new ATOM 0 HE2 LYS A 31 2.914 -9.318 -6.151 1.00 10.00 H new ATOM 0 HE3 LYS A 31 4.119 -8.343 -6.967 1.00 10.00 H new ATOM 0 HZ1 LYS A 31 5.573 -8.592 -5.309 1.00 10.00 H new ATOM 0 HZ2 LYS A 31 4.401 -8.458 -4.088 1.00 10.00 H new ATOM 0 HZ3 LYS A 31 4.624 -9.936 -4.893 1.00 10.00 H new ATOM 154 N CYS A 32 -1.853 -4.382 -4.435 1.00 10.00 N ATOM 155 CA CYS A 32 -2.642 -3.579 -3.514 1.00 10.00 C ATOM 156 C CYS A 32 -4.092 -3.514 -3.969 1.00 10.00 C ATOM 157 O CYS A 32 -5.017 -3.780 -3.192 1.00 10.00 O ATOM 158 CB CYS A 32 -2.022 -2.192 -3.338 1.00 10.00 C ATOM 159 SG CYS A 32 -0.207 -2.221 -3.172 1.00 10.00 S ATOM 0 H CYS A 32 -1.449 -3.861 -5.213 1.00 10.00 H new ATOM 0 HA CYS A 32 -2.635 -4.056 -2.534 1.00 10.00 H new ATOM 0 HB2 CYS A 32 -2.291 -1.572 -4.193 1.00 10.00 H new ATOM 0 HB3 CYS A 32 -2.452 -1.720 -2.454 1.00 10.00 H new ATOM 164 N ILE A 33 -4.284 -3.177 -5.246 1.00 10.00 N ATOM 165 CA ILE A 33 -5.614 -2.957 -5.796 1.00 10.00 C ATOM 166 C ILE A 33 -6.500 -4.187 -5.631 1.00 10.00 C ATOM 167 O ILE A 33 -7.718 -4.057 -5.527 1.00 10.00 O ATOM 168 CB ILE A 33 -5.539 -2.472 -7.249 1.00 10.00 C ATOM 169 CG1 ILE A 33 -5.005 -3.489 -8.274 1.00 10.00 C ATOM 170 CG2 ILE A 33 -4.731 -1.161 -7.303 1.00 10.00 C ATOM 171 CD1 ILE A 33 -6.017 -4.514 -8.793 1.00 10.00 C ATOM 0 H ILE A 33 -3.527 -3.051 -5.918 1.00 10.00 H new ATOM 0 HA ILE A 33 -6.088 -2.160 -5.223 1.00 10.00 H new ATOM 0 HB ILE A 33 -6.572 -2.314 -7.559 1.00 10.00 H new ATOM 0 HG12 ILE A 33 -4.605 -2.940 -9.126 1.00 10.00 H new ATOM 0 HG13 ILE A 33 -4.172 -4.027 -7.822 1.00 10.00 H new ATOM 0 HG21 ILE A 33 -4.674 -0.811 -8.334 1.00 10.00 H new ATOM 0 HG22 ILE A 33 -5.222 -0.405 -6.690 1.00 10.00 H new ATOM 0 HG23 ILE A 33 -3.725 -1.338 -6.924 1.00 10.00 H new ATOM 0 HD11 ILE A 33 -5.529 -5.177 -9.508 1.00 10.00 H new ATOM 0 HD12 ILE A 33 -6.402 -5.100 -7.958 1.00 10.00 H new ATOM 0 HD13 ILE A 33 -6.841 -3.996 -9.283 1.00 10.00 H new ATOM 183 N SER A 34 -5.874 -5.367 -5.554 1.00 10.00 N ATOM 184 CA SER A 34 -6.486 -6.641 -5.232 1.00 10.00 C ATOM 185 C SER A 34 -7.537 -6.523 -4.124 1.00 10.00 C ATOM 186 O SER A 34 -8.558 -7.202 -4.191 1.00 10.00 O ATOM 187 CB SER A 34 -5.359 -7.598 -4.836 1.00 10.00 C ATOM 188 OG SER A 34 -4.297 -7.475 -5.769 1.00 10.00 O ATOM 0 H SER A 34 -4.872 -5.453 -5.726 1.00 10.00 H new ATOM 0 HA SER A 34 -7.026 -7.019 -6.100 1.00 10.00 H new ATOM 0 HB2 SER A 34 -5.005 -7.367 -3.831 1.00 10.00 H new ATOM 0 HB3 SER A 34 -5.726 -8.624 -4.817 1.00 10.00 H new ATOM 0 HG SER A 34 -3.571 -8.084 -5.520 1.00 10.00 H new ATOM 194 N CYS A 35 -7.283 -5.673 -3.120 1.00 10.00 N ATOM 195 CA CYS A 35 -8.245 -5.375 -2.063 1.00 10.00 C ATOM 196 C CYS A 35 -8.635 -3.897 -2.041 1.00 10.00 C ATOM 197 O CYS A 35 -9.788 -3.569 -1.767 1.00 10.00 O ATOM 198 CB CYS A 35 -7.657 -5.738 -0.705 1.00 10.00 C ATOM 199 SG CYS A 35 -7.057 -7.446 -0.671 1.00 10.00 S ATOM 0 H CYS A 35 -6.399 -5.173 -3.022 1.00 10.00 H new ATOM 0 HA CYS A 35 -9.137 -5.967 -2.268 1.00 10.00 H new ATOM 0 HB2 CYS A 35 -6.837 -5.059 -0.470 1.00 10.00 H new ATOM 0 HB3 CYS A 35 -8.414 -5.603 0.067 1.00 10.00 H new ATOM 204 N HIS A 36 -7.669 -3.003 -2.270 1.00 10.00 N ATOM 205 CA HIS A 36 -7.867 -1.563 -2.178 1.00 10.00 C ATOM 206 C HIS A 36 -8.620 -0.985 -3.385 1.00 10.00 C ATOM 207 O HIS A 36 -8.958 0.202 -3.389 1.00 10.00 O ATOM 208 CB HIS A 36 -6.498 -0.910 -1.954 1.00 10.00 C ATOM 209 CG HIS A 36 -6.002 -1.115 -0.541 1.00 10.00 C ATOM 210 ND1 HIS A 36 -6.503 -0.471 0.561 1.00 10.00 N ATOM 211 CD2 HIS A 36 -5.000 -1.942 -0.109 1.00 10.00 C ATOM 212 CE1 HIS A 36 -5.811 -0.882 1.634 1.00 10.00 C ATOM 213 NE2 HIS A 36 -4.880 -1.781 1.284 1.00 10.00 N ATOM 0 H HIS A 36 -6.718 -3.267 -2.527 1.00 10.00 H new ATOM 0 HA HIS A 36 -8.516 -1.339 -1.331 1.00 10.00 H new ATOM 0 HB2 HIS A 36 -5.777 -1.328 -2.656 1.00 10.00 H new ATOM 0 HB3 HIS A 36 -6.566 0.157 -2.164 1.00 10.00 H new ATOM 0 HD1 HIS A 36 -7.268 0.203 0.564 1.00 10.00 H new ATOM 0 HD2 HIS A 36 -4.407 -2.600 -0.727 1.00 10.00 H new ATOM 0 HE1 HIS A 36 -5.981 -0.536 2.643 1.00 10.00 H new ATOM 221 N GLY A 37 -8.909 -1.818 -4.389 1.00 10.00 N ATOM 222 CA GLY A 37 -9.615 -1.420 -5.589 1.00 10.00 C ATOM 223 C GLY A 37 -8.635 -0.802 -6.577 1.00 10.00 C ATOM 224 O GLY A 37 -7.642 -0.198 -6.169 1.00 10.00 O ATOM 0 H GLY A 37 -8.650 -2.804 -4.381 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -10.104 -2.284 -6.039 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -10.398 -0.703 -5.342 1.00 10.00 H new ATOM 228 N GLY A 38 -8.930 -0.943 -7.876 1.00 10.00 N ATOM 229 CA GLY A 38 -8.152 -0.398 -8.988 1.00 10.00 C ATOM 230 C GLY A 38 -7.642 1.018 -8.727 1.00 10.00 C ATOM 231 O GLY A 38 -6.540 1.367 -9.152 1.00 10.00 O ATOM 0 H GLY A 38 -9.751 -1.461 -8.190 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.303 -1.053 -9.185 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -8.768 -0.396 -9.887 1.00 10.00 H new ATOM 235 N ASP A 39 -8.456 1.807 -8.019 1.00 10.00 N ATOM 236 CA ASP A 39 -8.267 3.231 -7.854 1.00 10.00 C ATOM 237 C ASP A 39 -7.763 3.581 -6.450 1.00 10.00 C ATOM 238 O ASP A 39 -7.583 4.768 -6.188 1.00 10.00 O ATOM 239 CB ASP A 39 -9.583 3.958 -8.184 1.00 10.00 C ATOM 240 CG ASP A 39 -9.972 3.937 -9.660 1.00 10.00 C ATOM 241 OD1 ASP A 39 -9.417 3.105 -10.410 1.00 10.00 O ATOM 242 OD2 ASP A 39 -10.853 4.752 -10.008 1.00 10.00 O ATOM 0 H ASP A 39 -9.282 1.453 -7.537 1.00 10.00 H new ATOM 0 HA ASP A 39 -7.494 3.565 -8.546 1.00 10.00 H new ATOM 0 HB2 ASP A 39 -10.387 3.505 -7.604 1.00 10.00 H new ATOM 0 HB3 ASP A 39 -9.500 4.995 -7.859 1.00 10.00 H new ATOM 247 N LEU A 40 -7.531 2.619 -5.530 1.00 10.00 N ATOM 248 CA LEU A 40 -6.999 2.927 -4.201 1.00 10.00 C ATOM 249 C LEU A 40 -8.031 3.659 -3.337 1.00 10.00 C ATOM 250 O LEU A 40 -7.712 4.153 -2.251 1.00 10.00 O ATOM 251 CB LEU A 40 -5.682 3.721 -4.290 1.00 10.00 C ATOM 252 CG LEU A 40 -4.701 3.203 -5.352 1.00 10.00 C ATOM 253 CD1 LEU A 40 -3.498 4.148 -5.428 1.00 10.00 C ATOM 254 CD2 LEU A 40 -4.249 1.774 -5.048 1.00 10.00 C ATOM 0 H LEU A 40 -7.706 1.627 -5.691 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.778 1.977 -3.714 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -5.914 4.764 -4.505 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -5.191 3.698 -3.317 1.00 10.00 H new ATOM 0 HG LEU A 40 -5.208 3.180 -6.316 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -2.798 3.786 -6.180 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -3.837 5.148 -5.700 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -3.002 4.184 -4.458 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -3.556 1.440 -5.820 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -3.752 1.748 -4.078 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -5.116 1.114 -5.029 1.00 10.00 H new ATOM 266 N THR A 41 -9.272 3.681 -3.828 1.00 10.00 N ATOM 267 CA THR A 41 -10.462 4.313 -3.294 1.00 10.00 C ATOM 268 C THR A 41 -11.079 3.426 -2.217 1.00 10.00 C ATOM 269 O THR A 41 -11.969 3.859 -1.489 1.00 10.00 O ATOM 270 CB THR A 41 -11.434 4.458 -4.472 1.00 10.00 C ATOM 271 OG1 THR A 41 -11.343 3.287 -5.268 1.00 10.00 O ATOM 272 CG2 THR A 41 -11.065 5.668 -5.335 1.00 10.00 C ATOM 0 H THR A 41 -9.481 3.202 -4.704 1.00 10.00 H new ATOM 0 HA THR A 41 -10.235 5.279 -2.843 1.00 10.00 H new ATOM 0 HB THR A 41 -12.445 4.598 -4.088 1.00 10.00 H new ATOM 0 HG1 THR A 41 -11.959 3.359 -6.027 1.00 10.00 H new ATOM 0 HG21 THR A 41 -11.768 5.751 -6.164 1.00 10.00 H new ATOM 0 HG22 THR A 41 -11.109 6.573 -4.730 1.00 10.00 H new ATOM 0 HG23 THR A 41 -10.055 5.542 -5.726 1.00 10.00 H new ATOM 280 N GLY A 42 -10.603 2.186 -2.129 1.00 10.00 N ATOM 281 CA GLY A 42 -11.091 1.177 -1.222 1.00 10.00 C ATOM 282 C GLY A 42 -12.069 0.272 -1.960 1.00 10.00 C ATOM 283 O GLY A 42 -12.648 0.653 -2.976 1.00 10.00 O ATOM 0 H GLY A 42 -9.837 1.854 -2.715 1.00 10.00 H new ATOM 0 HA2 GLY A 42 -10.260 0.591 -0.829 1.00 10.00 H new ATOM 0 HA3 GLY A 42 -11.582 1.645 -0.369 1.00 10.00 H new ATOM 287 N ALA A 43 -12.230 -0.943 -1.444 1.00 10.00 N ATOM 288 CA ALA A 43 -13.108 -1.960 -2.018 1.00 10.00 C ATOM 289 C ALA A 43 -13.340 -3.075 -0.997 1.00 10.00 C ATOM 290 O ALA A 43 -14.330 -3.048 -0.271 1.00 10.00 O ATOM 291 CB ALA A 43 -12.549 -2.479 -3.353 1.00 10.00 C ATOM 0 H ALA A 43 -11.747 -1.254 -0.602 1.00 10.00 H new ATOM 0 HA ALA A 43 -14.078 -1.518 -2.247 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -13.221 -3.235 -3.760 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -12.464 -1.652 -4.058 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -11.565 -2.919 -3.189 1.00 10.00 H new ATOM 297 N SER A 44 -12.404 -4.022 -0.898 1.00 10.00 N ATOM 298 CA SER A 44 -12.357 -5.011 0.178 1.00 10.00 C ATOM 299 C SER A 44 -11.468 -4.518 1.326 1.00 10.00 C ATOM 300 O SER A 44 -11.248 -5.242 2.294 1.00 10.00 O ATOM 301 CB SER A 44 -11.846 -6.347 -0.369 1.00 10.00 C ATOM 302 OG SER A 44 -12.737 -6.849 -1.347 1.00 10.00 O ATOM 0 H SER A 44 -11.647 -4.124 -1.574 1.00 10.00 H new ATOM 0 HA SER A 44 -13.363 -5.154 0.571 1.00 10.00 H new ATOM 0 HB2 SER A 44 -10.855 -6.215 -0.803 1.00 10.00 H new ATOM 0 HB3 SER A 44 -11.745 -7.066 0.444 1.00 10.00 H new ATOM 0 HG SER A 44 -12.399 -7.702 -1.690 1.00 10.00 H new ATOM 308 N ALA A 45 -10.926 -3.306 1.200 1.00 10.00 N ATOM 309 CA ALA A 45 -10.017 -2.669 2.130 1.00 10.00 C ATOM 310 C ALA A 45 -10.294 -1.162 2.068 1.00 10.00 C ATOM 311 O ALA A 45 -10.899 -0.722 1.087 1.00 10.00 O ATOM 312 CB ALA A 45 -8.599 -3.015 1.676 1.00 10.00 C ATOM 0 H ALA A 45 -11.128 -2.714 0.394 1.00 10.00 H new ATOM 0 HA ALA A 45 -10.142 -3.002 3.160 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -7.878 -2.554 2.351 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -8.467 -4.097 1.688 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -8.439 -2.641 0.665 1.00 10.00 H new ATOM 318 N PRO A 46 -9.902 -0.379 3.089 1.00 10.00 N ATOM 319 CA PRO A 46 -10.120 1.062 3.135 1.00 10.00 C ATOM 320 C PRO A 46 -9.295 1.780 2.064 1.00 10.00 C ATOM 321 O PRO A 46 -8.390 1.198 1.472 1.00 10.00 O ATOM 322 CB PRO A 46 -9.705 1.494 4.547 1.00 10.00 C ATOM 323 CG PRO A 46 -8.669 0.445 4.945 1.00 10.00 C ATOM 324 CD PRO A 46 -9.223 -0.821 4.295 1.00 10.00 C ATOM 0 HA PRO A 46 -11.159 1.319 2.930 1.00 10.00 H new ATOM 0 HB2 PRO A 46 -9.283 2.499 4.552 1.00 10.00 H new ATOM 0 HB3 PRO A 46 -10.554 1.501 5.231 1.00 10.00 H new ATOM 0 HG2 PRO A 46 -7.675 0.693 4.572 1.00 10.00 H new ATOM 0 HG3 PRO A 46 -8.587 0.344 6.027 1.00 10.00 H new ATOM 0 HD2 PRO A 46 -8.423 -1.522 4.059 1.00 10.00 H new ATOM 0 HD3 PRO A 46 -9.911 -1.336 4.965 1.00 10.00 H new ATOM 332 N ALA A 47 -9.600 3.051 1.808 1.00 10.00 N ATOM 333 CA ALA A 47 -8.949 3.816 0.755 1.00 10.00 C ATOM 334 C ALA A 47 -7.532 4.212 1.173 1.00 10.00 C ATOM 335 O ALA A 47 -7.348 4.803 2.235 1.00 10.00 O ATOM 336 CB ALA A 47 -9.798 5.045 0.437 1.00 10.00 C ATOM 0 H ALA A 47 -10.305 3.576 2.326 1.00 10.00 H new ATOM 0 HA ALA A 47 -8.862 3.204 -0.143 1.00 10.00 H new ATOM 0 HB1 ALA A 47 -9.318 5.625 -0.351 1.00 10.00 H new ATOM 0 HB2 ALA A 47 -10.786 4.728 0.104 1.00 10.00 H new ATOM 0 HB3 ALA A 47 -9.897 5.660 1.331 1.00 10.00 H new ATOM 342 N ILE A 48 -6.535 3.876 0.350 1.00 10.00 N ATOM 343 CA ILE A 48 -5.131 4.220 0.572 1.00 10.00 C ATOM 344 C ILE A 48 -4.642 5.282 -0.411 1.00 10.00 C ATOM 345 O ILE A 48 -3.485 5.692 -0.328 1.00 10.00 O ATOM 346 CB ILE A 48 -4.245 2.963 0.582 1.00 10.00 C ATOM 347 CG1 ILE A 48 -4.436 2.138 -0.699 1.00 10.00 C ATOM 348 CG2 ILE A 48 -4.579 2.162 1.846 1.00 10.00 C ATOM 349 CD1 ILE A 48 -3.359 1.070 -0.903 1.00 10.00 C ATOM 0 H ILE A 48 -6.687 3.345 -0.508 1.00 10.00 H new ATOM 0 HA ILE A 48 -5.051 4.669 1.562 1.00 10.00 H new ATOM 0 HB ILE A 48 -3.191 3.241 0.601 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -5.413 1.656 -0.669 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.438 2.810 -1.557 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -3.964 1.263 1.880 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -4.379 2.772 2.727 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -5.632 1.881 1.831 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -3.557 0.526 -1.827 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -2.381 1.547 -0.965 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -3.371 0.376 -0.063 1.00 10.00 H new ATOM 361 N ASP A 49 -5.519 5.751 -1.309 1.00 10.00 N ATOM 362 CA ASP A 49 -5.250 6.839 -2.238 1.00 10.00 C ATOM 363 C ASP A 49 -4.420 7.967 -1.616 1.00 10.00 C ATOM 364 O ASP A 49 -3.488 8.457 -2.243 1.00 10.00 O ATOM 365 CB ASP A 49 -6.582 7.389 -2.753 1.00 10.00 C ATOM 366 CG ASP A 49 -6.345 8.661 -3.553 1.00 10.00 C ATOM 367 OD1 ASP A 49 -5.497 8.597 -4.480 1.00 10.00 O ATOM 368 OD2 ASP A 49 -6.989 9.666 -3.186 1.00 10.00 O ATOM 0 H ASP A 49 -6.459 5.368 -1.406 1.00 10.00 H new ATOM 0 HA ASP A 49 -4.655 6.436 -3.058 1.00 10.00 H new ATOM 0 HB2 ASP A 49 -7.076 6.644 -3.377 1.00 10.00 H new ATOM 0 HB3 ASP A 49 -7.248 7.595 -1.915 1.00 10.00 H new ATOM 373 N LYS A 50 -4.745 8.355 -0.378 1.00 10.00 N ATOM 374 CA LYS A 50 -4.105 9.447 0.332 1.00 10.00 C ATOM 375 C LYS A 50 -3.497 8.936 1.636 1.00 10.00 C ATOM 376 O LYS A 50 -3.446 9.647 2.643 1.00 10.00 O ATOM 377 CB LYS A 50 -5.112 10.590 0.512 1.00 10.00 C ATOM 378 CG LYS A 50 -6.390 10.174 1.251 1.00 10.00 C ATOM 379 CD LYS A 50 -7.406 11.316 1.165 1.00 10.00 C ATOM 380 CE LYS A 50 -8.607 11.018 2.078 1.00 10.00 C ATOM 381 NZ LYS A 50 -9.733 11.956 1.861 1.00 10.00 N ATOM 0 H LYS A 50 -5.480 7.901 0.164 1.00 10.00 H new ATOM 0 HA LYS A 50 -3.273 9.854 -0.242 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -4.633 11.401 1.060 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -5.381 10.983 -0.468 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -6.803 9.268 0.809 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -6.166 9.946 2.293 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -6.937 12.254 1.461 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -7.742 11.438 0.135 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -8.949 9.998 1.901 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -8.289 11.072 3.119 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -10.516 11.712 2.500 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -9.418 12.928 2.055 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -10.057 11.888 0.875 1.00 10.00 H new ATOM 395 N ALA A 51 -2.996 7.697 1.614 1.00 10.00 N ATOM 396 CA ALA A 51 -2.210 7.165 2.711 1.00 10.00 C ATOM 397 C ALA A 51 -1.070 8.135 3.023 1.00 10.00 C ATOM 398 O ALA A 51 -0.852 8.457 4.185 1.00 10.00 O ATOM 399 CB ALA A 51 -1.698 5.766 2.365 1.00 10.00 C ATOM 0 H ALA A 51 -3.127 7.047 0.839 1.00 10.00 H new ATOM 0 HA ALA A 51 -2.828 7.066 3.604 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.110 5.378 3.196 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -2.544 5.104 2.179 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -1.075 5.817 1.472 1.00 10.00 H new ATOM 405 N GLY A 52 -0.408 8.666 1.989 1.00 10.00 N ATOM 406 CA GLY A 52 0.670 9.635 2.124 1.00 10.00 C ATOM 407 C GLY A 52 0.303 10.875 2.939 1.00 10.00 C ATOM 408 O GLY A 52 1.177 11.501 3.534 1.00 10.00 O ATOM 0 H GLY A 52 -0.615 8.426 1.020 1.00 10.00 H new ATOM 0 HA2 GLY A 52 1.525 9.147 2.592 1.00 10.00 H new ATOM 0 HA3 GLY A 52 0.987 9.949 1.130 1.00 10.00 H new ATOM 412 N ALA A 53 -0.977 11.263 2.963 1.00 10.00 N ATOM 413 CA ALA A 53 -1.418 12.385 3.782 1.00 10.00 C ATOM 414 C ALA A 53 -1.521 11.979 5.254 1.00 10.00 C ATOM 415 O ALA A 53 -1.380 12.820 6.138 1.00 10.00 O ATOM 416 CB ALA A 53 -2.763 12.906 3.273 1.00 10.00 C ATOM 0 H ALA A 53 -1.719 10.815 2.425 1.00 10.00 H new ATOM 0 HA ALA A 53 -0.679 13.182 3.705 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -3.086 13.744 3.890 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -2.658 13.236 2.239 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.505 12.110 3.326 1.00 10.00 H new ATOM 422 N ASN A 54 -1.809 10.701 5.513 1.00 10.00 N ATOM 423 CA ASN A 54 -2.048 10.177 6.851 1.00 10.00 C ATOM 424 C ASN A 54 -0.736 9.747 7.501 1.00 10.00 C ATOM 425 O ASN A 54 -0.519 10.010 8.681 1.00 10.00 O ATOM 426 CB ASN A 54 -3.012 8.983 6.784 1.00 10.00 C ATOM 427 CG ASN A 54 -4.440 9.397 6.442 1.00 10.00 C ATOM 428 OD1 ASN A 54 -5.275 9.542 7.328 1.00 10.00 O ATOM 429 ND2 ASN A 54 -4.761 9.586 5.163 1.00 10.00 N ATOM 0 H ASN A 54 -1.883 9.993 4.783 1.00 10.00 H new ATOM 0 HA ASN A 54 -2.495 10.966 7.456 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -2.655 8.274 6.037 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -3.008 8.464 7.743 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -5.712 9.855 4.910 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -4.056 9.462 4.436 1.00 10.00 H new ATOM 436 N TYR A 55 0.106 9.040 6.744 1.00 10.00 N ATOM 437 CA TYR A 55 1.259 8.301 7.233 1.00 10.00 C ATOM 438 C TYR A 55 2.431 8.540 6.276 1.00 10.00 C ATOM 439 O TYR A 55 2.215 8.648 5.070 1.00 10.00 O ATOM 440 CB TYR A 55 0.898 6.809 7.259 1.00 10.00 C ATOM 441 CG TYR A 55 -0.446 6.448 7.859 1.00 10.00 C ATOM 442 CD1 TYR A 55 -0.734 6.773 9.197 1.00 10.00 C ATOM 443 CD2 TYR A 55 -1.382 5.721 7.099 1.00 10.00 C ATOM 444 CE1 TYR A 55 -1.965 6.394 9.763 1.00 10.00 C ATOM 445 CE2 TYR A 55 -2.601 5.325 7.674 1.00 10.00 C ATOM 446 CZ TYR A 55 -2.889 5.652 9.010 1.00 10.00 C ATOM 447 OH TYR A 55 -4.063 5.260 9.580 1.00 10.00 O ATOM 0 H TYR A 55 -0.007 8.967 5.733 1.00 10.00 H new ATOM 0 HA TYR A 55 1.538 8.627 8.235 1.00 10.00 H new ATOM 0 HB2 TYR A 55 0.927 6.433 6.236 1.00 10.00 H new ATOM 0 HB3 TYR A 55 1.673 6.280 7.815 1.00 10.00 H new ATOM 0 HD1 TYR A 55 -0.010 7.313 9.790 1.00 10.00 H new ATOM 0 HD2 TYR A 55 -1.162 5.467 6.072 1.00 10.00 H new ATOM 0 HE1 TYR A 55 -2.200 6.674 10.779 1.00 10.00 H new ATOM 0 HE2 TYR A 55 -3.318 4.768 7.088 1.00 10.00 H new ATOM 0 HH TYR A 55 -4.503 4.602 9.002 1.00 10.00 H new ATOM 457 N SER A 56 3.663 8.619 6.788 1.00 10.00 N ATOM 458 CA SER A 56 4.842 8.819 5.949 1.00 10.00 C ATOM 459 C SER A 56 5.283 7.497 5.317 1.00 10.00 C ATOM 460 O SER A 56 4.863 6.425 5.756 1.00 10.00 O ATOM 461 CB SER A 56 5.972 9.431 6.782 1.00 10.00 C ATOM 462 OG SER A 56 5.493 10.575 7.464 1.00 10.00 O ATOM 0 H SER A 56 3.867 8.547 7.785 1.00 10.00 H new ATOM 0 HA SER A 56 4.591 9.507 5.142 1.00 10.00 H new ATOM 0 HB2 SER A 56 6.347 8.699 7.497 1.00 10.00 H new ATOM 0 HB3 SER A 56 6.807 9.703 6.136 1.00 10.00 H new ATOM 0 HG SER A 56 6.217 10.964 7.998 1.00 10.00 H new ATOM 468 N GLU A 57 6.157 7.564 4.311 1.00 10.00 N ATOM 469 CA GLU A 57 6.683 6.414 3.597 1.00 10.00 C ATOM 470 C GLU A 57 7.162 5.319 4.551 1.00 10.00 C ATOM 471 O GLU A 57 6.809 4.162 4.358 1.00 10.00 O ATOM 472 CB GLU A 57 7.731 6.821 2.554 1.00 10.00 C ATOM 473 CG GLU A 57 8.923 7.636 3.066 1.00 10.00 C ATOM 474 CD GLU A 57 8.717 9.152 3.070 1.00 10.00 C ATOM 475 OE1 GLU A 57 7.611 9.591 3.458 1.00 10.00 O ATOM 476 OE2 GLU A 57 9.676 9.850 2.682 1.00 10.00 O ATOM 0 H GLU A 57 6.525 8.450 3.965 1.00 10.00 H new ATOM 0 HA GLU A 57 5.861 5.972 3.033 1.00 10.00 H new ATOM 0 HB2 GLU A 57 8.114 5.915 2.083 1.00 10.00 H new ATOM 0 HB3 GLU A 57 7.232 7.398 1.776 1.00 10.00 H new ATOM 0 HG2 GLU A 57 9.155 7.313 4.081 1.00 10.00 H new ATOM 0 HG3 GLU A 57 9.793 7.404 2.451 1.00 10.00 H new ATOM 483 N GLU A 58 7.906 5.675 5.602 1.00 10.00 N ATOM 484 CA GLU A 58 8.320 4.736 6.637 1.00 10.00 C ATOM 485 C GLU A 58 7.125 3.961 7.205 1.00 10.00 C ATOM 486 O GLU A 58 7.158 2.735 7.289 1.00 10.00 O ATOM 487 CB GLU A 58 9.066 5.485 7.751 1.00 10.00 C ATOM 488 CG GLU A 58 10.528 5.740 7.366 1.00 10.00 C ATOM 489 CD GLU A 58 11.274 6.476 8.473 1.00 10.00 C ATOM 490 OE1 GLU A 58 11.368 5.893 9.574 1.00 10.00 O ATOM 491 OE2 GLU A 58 11.735 7.604 8.199 1.00 10.00 O ATOM 0 H GLU A 58 8.237 6.627 5.755 1.00 10.00 H new ATOM 0 HA GLU A 58 8.993 4.006 6.188 1.00 10.00 H new ATOM 0 HB2 GLU A 58 8.569 6.434 7.950 1.00 10.00 H new ATOM 0 HB3 GLU A 58 9.026 4.905 8.673 1.00 10.00 H new ATOM 0 HG2 GLU A 58 11.023 4.791 7.161 1.00 10.00 H new ATOM 0 HG3 GLU A 58 10.567 6.325 6.447 1.00 10.00 H new ATOM 498 N GLU A 59 6.059 4.667 7.586 1.00 10.00 N ATOM 499 CA GLU A 59 4.909 4.060 8.229 1.00 10.00 C ATOM 500 C GLU A 59 4.152 3.192 7.223 1.00 10.00 C ATOM 501 O GLU A 59 3.745 2.068 7.518 1.00 10.00 O ATOM 502 CB GLU A 59 4.017 5.163 8.800 1.00 10.00 C ATOM 503 CG GLU A 59 4.742 6.019 9.851 1.00 10.00 C ATOM 504 CD GLU A 59 3.788 6.757 10.789 1.00 10.00 C ATOM 505 OE1 GLU A 59 2.566 6.513 10.692 1.00 10.00 O ATOM 506 OE2 GLU A 59 4.307 7.564 11.589 1.00 10.00 O ATOM 0 H GLU A 59 5.976 5.675 7.454 1.00 10.00 H new ATOM 0 HA GLU A 59 5.230 3.416 9.048 1.00 10.00 H new ATOM 0 HB2 GLU A 59 3.672 5.804 7.989 1.00 10.00 H new ATOM 0 HB3 GLU A 59 3.131 4.714 9.250 1.00 10.00 H new ATOM 0 HG2 GLU A 59 5.399 5.379 10.441 1.00 10.00 H new ATOM 0 HG3 GLU A 59 5.377 6.746 9.343 1.00 10.00 H new ATOM 513 N ILE A 60 3.970 3.714 6.010 1.00 10.00 N ATOM 514 CA ILE A 60 3.285 2.986 4.952 1.00 10.00 C ATOM 515 C ILE A 60 4.058 1.705 4.644 1.00 10.00 C ATOM 516 O ILE A 60 3.471 0.633 4.504 1.00 10.00 O ATOM 517 CB ILE A 60 3.091 3.868 3.709 1.00 10.00 C ATOM 518 CG1 ILE A 60 2.171 5.024 4.117 1.00 10.00 C ATOM 519 CG2 ILE A 60 2.469 3.070 2.554 1.00 10.00 C ATOM 520 CD1 ILE A 60 1.818 5.945 2.952 1.00 10.00 C ATOM 0 H ILE A 60 4.291 4.643 5.739 1.00 10.00 H new ATOM 0 HA ILE A 60 2.285 2.709 5.286 1.00 10.00 H new ATOM 0 HB ILE A 60 4.053 4.240 3.356 1.00 10.00 H new ATOM 0 HG12 ILE A 60 1.253 4.618 4.543 1.00 10.00 H new ATOM 0 HG13 ILE A 60 2.655 5.607 4.900 1.00 10.00 H new ATOM 0 HG21 ILE A 60 2.344 3.720 1.688 1.00 10.00 H new ATOM 0 HG22 ILE A 60 3.124 2.239 2.292 1.00 10.00 H new ATOM 0 HG23 ILE A 60 1.497 2.683 2.861 1.00 10.00 H new ATOM 0 HD11 ILE A 60 1.165 6.743 3.304 1.00 10.00 H new ATOM 0 HD12 ILE A 60 2.730 6.377 2.541 1.00 10.00 H new ATOM 0 HD13 ILE A 60 1.307 5.373 2.178 1.00 10.00 H new ATOM 532 N LEU A 61 5.382 1.826 4.539 1.00 10.00 N ATOM 533 CA LEU A 61 6.283 0.723 4.290 1.00 10.00 C ATOM 534 C LEU A 61 6.119 -0.302 5.404 1.00 10.00 C ATOM 535 O LEU A 61 5.907 -1.477 5.116 1.00 10.00 O ATOM 536 CB LEU A 61 7.722 1.250 4.158 1.00 10.00 C ATOM 537 CG LEU A 61 8.792 0.157 4.029 1.00 10.00 C ATOM 538 CD1 LEU A 61 8.628 -0.689 2.762 1.00 10.00 C ATOM 539 CD2 LEU A 61 10.173 0.821 4.011 1.00 10.00 C ATOM 0 H LEU A 61 5.861 2.722 4.629 1.00 10.00 H new ATOM 0 HA LEU A 61 6.048 0.226 3.349 1.00 10.00 H new ATOM 0 HB2 LEU A 61 7.778 1.900 3.285 1.00 10.00 H new ATOM 0 HB3 LEU A 61 7.952 1.864 5.029 1.00 10.00 H new ATOM 0 HG LEU A 61 8.682 -0.513 4.882 1.00 10.00 H new ATOM 0 HD11 LEU A 61 9.412 -1.445 2.725 1.00 10.00 H new ATOM 0 HD12 LEU A 61 7.654 -1.178 2.774 1.00 10.00 H new ATOM 0 HD13 LEU A 61 8.701 -0.047 1.884 1.00 10.00 H new ATOM 0 HD21 LEU A 61 10.944 0.056 3.920 1.00 10.00 H new ATOM 0 HD22 LEU A 61 10.237 1.504 3.164 1.00 10.00 H new ATOM 0 HD23 LEU A 61 10.322 1.377 4.937 1.00 10.00 H new ATOM 551 N ASP A 62 6.174 0.141 6.663 1.00 10.00 N ATOM 552 CA ASP A 62 5.959 -0.731 7.808 1.00 10.00 C ATOM 553 C ASP A 62 4.657 -1.522 7.641 1.00 10.00 C ATOM 554 O ASP A 62 4.674 -2.751 7.653 1.00 10.00 O ATOM 555 CB ASP A 62 5.987 0.075 9.111 1.00 10.00 C ATOM 556 CG ASP A 62 6.100 -0.861 10.301 1.00 10.00 C ATOM 557 OD1 ASP A 62 5.124 -1.605 10.545 1.00 10.00 O ATOM 558 OD2 ASP A 62 7.189 -0.892 10.908 1.00 10.00 O ATOM 0 H ASP A 62 6.368 1.111 6.911 1.00 10.00 H new ATOM 0 HA ASP A 62 6.772 -1.455 7.862 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.829 0.767 9.102 1.00 10.00 H new ATOM 0 HB3 ASP A 62 5.081 0.676 9.196 1.00 10.00 H new ATOM 563 N ILE A 63 3.537 -0.836 7.383 1.00 10.00 N ATOM 564 CA ILE A 63 2.264 -1.512 7.158 1.00 10.00 C ATOM 565 C ILE A 63 2.383 -2.512 6.003 1.00 10.00 C ATOM 566 O ILE A 63 2.006 -3.666 6.164 1.00 10.00 O ATOM 567 CB ILE A 63 1.125 -0.487 6.968 1.00 10.00 C ATOM 568 CG1 ILE A 63 0.901 0.330 8.249 1.00 10.00 C ATOM 569 CG2 ILE A 63 -0.184 -1.187 6.571 1.00 10.00 C ATOM 570 CD1 ILE A 63 0.117 1.627 8.004 1.00 10.00 C ATOM 0 H ILE A 63 3.491 0.181 7.326 1.00 10.00 H new ATOM 0 HA ILE A 63 2.004 -2.093 8.043 1.00 10.00 H new ATOM 0 HB ILE A 63 1.424 0.188 6.166 1.00 10.00 H new ATOM 0 HG12 ILE A 63 0.364 -0.281 8.974 1.00 10.00 H new ATOM 0 HG13 ILE A 63 1.867 0.574 8.691 1.00 10.00 H new ATOM 0 HG21 ILE A 63 -0.970 -0.443 6.443 1.00 10.00 H new ATOM 0 HG22 ILE A 63 -0.039 -1.726 5.635 1.00 10.00 H new ATOM 0 HG23 ILE A 63 -0.473 -1.889 7.353 1.00 10.00 H new ATOM 0 HD11 ILE A 63 -0.009 2.160 8.947 1.00 10.00 H new ATOM 0 HD12 ILE A 63 0.664 2.256 7.302 1.00 10.00 H new ATOM 0 HD13 ILE A 63 -0.862 1.387 7.589 1.00 10.00 H new ATOM 582 N ILE A 64 2.931 -2.131 4.846 1.00 10.00 N ATOM 583 CA ILE A 64 3.122 -3.084 3.751 1.00 10.00 C ATOM 584 C ILE A 64 3.895 -4.325 4.237 1.00 10.00 C ATOM 585 O ILE A 64 3.502 -5.459 3.955 1.00 10.00 O ATOM 586 CB ILE A 64 3.774 -2.396 2.534 1.00 10.00 C ATOM 587 CG1 ILE A 64 2.818 -1.355 1.926 1.00 10.00 C ATOM 588 CG2 ILE A 64 4.152 -3.429 1.460 1.00 10.00 C ATOM 589 CD1 ILE A 64 3.579 -0.306 1.107 1.00 10.00 C ATOM 0 H ILE A 64 3.246 -1.182 4.645 1.00 10.00 H new ATOM 0 HA ILE A 64 2.149 -3.441 3.415 1.00 10.00 H new ATOM 0 HB ILE A 64 4.679 -1.896 2.880 1.00 10.00 H new ATOM 0 HG12 ILE A 64 2.089 -1.857 1.290 1.00 10.00 H new ATOM 0 HG13 ILE A 64 2.260 -0.862 2.722 1.00 10.00 H new ATOM 0 HG21 ILE A 64 4.610 -2.921 0.611 1.00 10.00 H new ATOM 0 HG22 ILE A 64 4.858 -4.146 1.878 1.00 10.00 H new ATOM 0 HG23 ILE A 64 3.256 -3.953 1.128 1.00 10.00 H new ATOM 0 HD11 ILE A 64 2.873 0.414 0.692 1.00 10.00 H new ATOM 0 HD12 ILE A 64 4.290 0.212 1.750 1.00 10.00 H new ATOM 0 HD13 ILE A 64 4.116 -0.797 0.295 1.00 10.00 H new ATOM 601 N LEU A 65 4.979 -4.121 4.987 1.00 10.00 N ATOM 602 CA LEU A 65 5.818 -5.198 5.494 1.00 10.00 C ATOM 603 C LEU A 65 5.137 -6.030 6.589 1.00 10.00 C ATOM 604 O LEU A 65 5.388 -7.232 6.659 1.00 10.00 O ATOM 605 CB LEU A 65 7.149 -4.638 6.018 1.00 10.00 C ATOM 606 CG LEU A 65 8.066 -4.011 4.950 1.00 10.00 C ATOM 607 CD1 LEU A 65 9.345 -3.488 5.620 1.00 10.00 C ATOM 608 CD2 LEU A 65 8.453 -4.986 3.830 1.00 10.00 C ATOM 0 H LEU A 65 5.299 -3.192 5.260 1.00 10.00 H new ATOM 0 HA LEU A 65 6.001 -5.867 4.653 1.00 10.00 H new ATOM 0 HB2 LEU A 65 6.934 -3.885 6.776 1.00 10.00 H new ATOM 0 HB3 LEU A 65 7.693 -5.442 6.513 1.00 10.00 H new ATOM 0 HG LEU A 65 7.501 -3.201 4.489 1.00 10.00 H new ATOM 0 HD11 LEU A 65 9.995 -3.044 4.866 1.00 10.00 H new ATOM 0 HD12 LEU A 65 9.084 -2.735 6.364 1.00 10.00 H new ATOM 0 HD13 LEU A 65 9.865 -4.314 6.107 1.00 10.00 H new ATOM 0 HD21 LEU A 65 9.099 -4.479 3.113 1.00 10.00 H new ATOM 0 HD22 LEU A 65 8.983 -5.838 4.256 1.00 10.00 H new ATOM 0 HD23 LEU A 65 7.553 -5.335 3.324 1.00 10.00 H new ATOM 620 N ASN A 66 4.297 -5.433 7.444 1.00 10.00 N ATOM 621 CA ASN A 66 3.881 -6.035 8.724 1.00 10.00 C ATOM 622 C ASN A 66 2.360 -6.185 8.777 1.00 10.00 C ATOM 623 O ASN A 66 1.756 -6.333 9.837 1.00 10.00 O ATOM 624 CB ASN A 66 4.390 -5.176 9.890 1.00 10.00 C ATOM 625 CG ASN A 66 5.914 -5.095 9.931 1.00 10.00 C ATOM 626 OD1 ASN A 66 6.607 -6.072 9.660 1.00 10.00 O ATOM 627 ND2 ASN A 66 6.454 -3.936 10.278 1.00 10.00 N ATOM 0 H ASN A 66 3.884 -4.517 7.270 1.00 10.00 H new ATOM 0 HA ASN A 66 4.317 -7.030 8.809 1.00 10.00 H new ATOM 0 HB2 ASN A 66 3.978 -4.171 9.804 1.00 10.00 H new ATOM 0 HB3 ASN A 66 4.025 -5.591 10.830 1.00 10.00 H new ATOM 0 HD21 ASN A 66 7.468 -3.840 10.325 1.00 10.00 H new ATOM 0 HD22 ASN A 66 5.855 -3.140 10.498 1.00 10.00 H new ATOM 634 N GLY A 67 1.782 -6.167 7.580 1.00 10.00 N ATOM 635 CA GLY A 67 0.382 -5.921 7.225 1.00 10.00 C ATOM 636 C GLY A 67 -0.322 -5.043 8.273 1.00 10.00 C ATOM 637 O GLY A 67 0.297 -4.104 8.768 1.00 10.00 O ATOM 0 H GLY A 67 2.339 -6.343 6.744 1.00 10.00 H new ATOM 0 HA2 GLY A 67 0.333 -5.435 6.250 1.00 10.00 H new ATOM 0 HA3 GLY A 67 -0.143 -6.872 7.134 1.00 10.00 H new ATOM 641 N GLN A 68 -1.597 -5.309 8.596 1.00 10.00 N ATOM 642 CA GLN A 68 -2.391 -4.586 9.601 1.00 10.00 C ATOM 643 C GLN A 68 -3.828 -5.122 9.584 1.00 10.00 C ATOM 644 O GLN A 68 -4.432 -5.191 8.520 1.00 10.00 O ATOM 645 CB GLN A 68 -2.381 -3.055 9.368 1.00 10.00 C ATOM 646 CG GLN A 68 -3.250 -2.288 10.378 1.00 10.00 C ATOM 647 CD GLN A 68 -2.960 -0.788 10.336 1.00 10.00 C ATOM 648 OE1 GLN A 68 -3.845 0.019 9.757 1.00 10.00 O flip ATOM 649 NE2 GLN A 68 -1.930 -0.346 10.834 1.00 10.00 N flip ATOM 0 H GLN A 68 -2.122 -6.060 8.148 1.00 10.00 H new ATOM 0 HA GLN A 68 -1.939 -4.757 10.578 1.00 10.00 H new ATOM 0 HB2 GLN A 68 -1.356 -2.690 9.429 1.00 10.00 H new ATOM 0 HB3 GLN A 68 -2.735 -2.844 8.359 1.00 10.00 H new ATOM 0 HG2 GLN A 68 -4.304 -2.463 10.160 1.00 10.00 H new ATOM 0 HG3 GLN A 68 -3.065 -2.668 11.383 1.00 10.00 H new ATOM 0 HE21 GLN A 68 -1.263 -0.980 11.274 1.00 10.00 H new ATOM 0 HE22 GLN A 68 -1.740 0.656 10.809 1.00 10.00 H new ATOM 658 N GLY A 69 -4.395 -5.477 10.742 1.00 10.00 N ATOM 659 CA GLY A 69 -5.768 -5.965 10.857 1.00 10.00 C ATOM 660 C GLY A 69 -6.105 -7.032 9.809 1.00 10.00 C ATOM 661 O GLY A 69 -5.529 -8.117 9.852 1.00 10.00 O ATOM 0 H GLY A 69 -3.905 -5.432 11.635 1.00 10.00 H new ATOM 0 HA2 GLY A 69 -5.920 -6.379 11.854 1.00 10.00 H new ATOM 0 HA3 GLY A 69 -6.457 -5.127 10.752 1.00 10.00 H new ATOM 665 N GLY A 70 -7.016 -6.755 8.864 1.00 10.00 N ATOM 666 CA GLY A 70 -7.366 -7.735 7.842 1.00 10.00 C ATOM 667 C GLY A 70 -6.220 -7.970 6.852 1.00 10.00 C ATOM 668 O GLY A 70 -6.141 -9.018 6.215 1.00 10.00 O ATOM 0 H GLY A 70 -7.515 -5.869 8.792 1.00 10.00 H new ATOM 0 HA2 GLY A 70 -7.630 -8.678 8.320 1.00 10.00 H new ATOM 0 HA3 GLY A 70 -8.248 -7.394 7.300 1.00 10.00 H new ATOM 672 N MET A 71 -5.353 -6.971 6.683 1.00 10.00 N ATOM 673 CA MET A 71 -4.249 -6.984 5.740 1.00 10.00 C ATOM 674 C MET A 71 -3.104 -7.901 6.202 1.00 10.00 C ATOM 675 O MET A 71 -2.534 -7.651 7.264 1.00 10.00 O ATOM 676 CB MET A 71 -3.731 -5.554 5.619 1.00 10.00 C ATOM 677 CG MET A 71 -2.759 -5.400 4.465 1.00 10.00 C ATOM 678 SD MET A 71 -2.266 -3.681 4.215 1.00 10.00 S ATOM 679 CE MET A 71 -0.697 -4.072 3.405 1.00 10.00 C ATOM 0 H MET A 71 -5.407 -6.105 7.219 1.00 10.00 H new ATOM 0 HA MET A 71 -4.604 -7.368 4.784 1.00 10.00 H new ATOM 0 HB2 MET A 71 -4.571 -4.874 5.479 1.00 10.00 H new ATOM 0 HB3 MET A 71 -3.240 -5.266 6.548 1.00 10.00 H new ATOM 0 HG2 MET A 71 -1.873 -6.007 4.654 1.00 10.00 H new ATOM 0 HG3 MET A 71 -3.217 -5.781 3.553 1.00 10.00 H new ATOM 0 HE1 MET A 71 -0.191 -3.148 3.126 1.00 10.00 H new ATOM 0 HE2 MET A 71 -0.066 -4.639 4.089 1.00 10.00 H new ATOM 0 HE3 MET A 71 -0.887 -4.665 2.511 1.00 10.00 H new ATOM 689 N PRO A 72 -2.695 -8.892 5.393 1.00 10.00 N ATOM 690 CA PRO A 72 -1.535 -9.722 5.666 1.00 10.00 C ATOM 691 C PRO A 72 -0.253 -8.984 5.276 1.00 10.00 C ATOM 692 O PRO A 72 -0.234 -8.213 4.319 1.00 10.00 O ATOM 693 CB PRO A 72 -1.718 -10.972 4.808 1.00 10.00 C ATOM 694 CG PRO A 72 -2.536 -10.483 3.611 1.00 10.00 C ATOM 695 CD PRO A 72 -3.297 -9.256 4.126 1.00 10.00 C ATOM 0 HA PRO A 72 -1.450 -9.970 6.724 1.00 10.00 H new ATOM 0 HB2 PRO A 72 -0.759 -11.385 4.494 1.00 10.00 H new ATOM 0 HB3 PRO A 72 -2.240 -11.758 5.354 1.00 10.00 H new ATOM 0 HG2 PRO A 72 -1.891 -10.224 2.771 1.00 10.00 H new ATOM 0 HG3 PRO A 72 -3.222 -11.254 3.260 1.00 10.00 H new ATOM 0 HD2 PRO A 72 -3.229 -8.433 3.415 1.00 10.00 H new ATOM 0 HD3 PRO A 72 -4.356 -9.482 4.252 1.00 10.00 H new ATOM 703 N GLY A 73 0.824 -9.208 6.027 1.00 10.00 N ATOM 704 CA GLY A 73 2.078 -8.502 5.836 1.00 10.00 C ATOM 705 C GLY A 73 3.002 -9.100 4.789 1.00 10.00 C ATOM 706 O GLY A 73 2.981 -10.298 4.514 1.00 10.00 O ATOM 0 H GLY A 73 0.846 -9.888 6.787 1.00 10.00 H new ATOM 0 HA2 GLY A 73 1.858 -7.471 5.558 1.00 10.00 H new ATOM 0 HA3 GLY A 73 2.607 -8.469 6.788 1.00 10.00 H new ATOM 710 N GLY A 74 3.836 -8.228 4.217 1.00 10.00 N ATOM 711 CA GLY A 74 4.851 -8.592 3.242 1.00 10.00 C ATOM 712 C GLY A 74 4.226 -8.956 1.903 1.00 10.00 C ATOM 713 O GLY A 74 4.764 -9.781 1.168 1.00 10.00 O ATOM 0 H GLY A 74 3.819 -7.230 4.427 1.00 10.00 H new ATOM 0 HA2 GLY A 74 5.544 -7.762 3.108 1.00 10.00 H new ATOM 0 HA3 GLY A 74 5.432 -9.435 3.616 1.00 10.00 H new ATOM 717 N ILE A 75 3.088 -8.327 1.602 1.00 10.00 N ATOM 718 CA ILE A 75 2.356 -8.463 0.355 1.00 10.00 C ATOM 719 C ILE A 75 3.305 -8.163 -0.828 1.00 10.00 C ATOM 720 O ILE A 75 3.572 -9.032 -1.660 1.00 10.00 O ATOM 721 CB ILE A 75 1.067 -7.609 0.496 1.00 10.00 C ATOM 722 CG1 ILE A 75 -0.079 -8.548 0.910 1.00 10.00 C ATOM 723 CG2 ILE A 75 0.668 -6.866 -0.796 1.00 10.00 C ATOM 724 CD1 ILE A 75 -1.329 -7.773 1.328 1.00 10.00 C ATOM 0 H ILE A 75 2.638 -7.683 2.253 1.00 10.00 H new ATOM 0 HA ILE A 75 2.009 -9.472 0.133 1.00 10.00 H new ATOM 0 HB ILE A 75 1.263 -6.840 1.243 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.323 -9.210 0.080 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.249 -9.180 1.735 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.241 -6.291 -0.619 1.00 10.00 H new ATOM 0 HG22 ILE A 75 1.472 -6.192 -1.091 1.00 10.00 H new ATOM 0 HG23 ILE A 75 0.491 -7.589 -1.592 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -2.114 -8.474 1.613 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -1.092 -7.130 2.176 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -1.674 -7.162 0.494 1.00 10.00 H new ATOM 736 N ALA A 76 3.850 -6.945 -0.895 1.00 10.00 N ATOM 737 CA ALA A 76 5.105 -6.648 -1.575 1.00 10.00 C ATOM 738 C ALA A 76 6.286 -6.749 -0.595 1.00 10.00 C ATOM 739 O ALA A 76 6.073 -6.725 0.618 1.00 10.00 O ATOM 740 CB ALA A 76 5.018 -5.243 -2.180 1.00 10.00 C ATOM 0 H ALA A 76 3.419 -6.125 -0.468 1.00 10.00 H new ATOM 0 HA ALA A 76 5.273 -7.374 -2.370 1.00 10.00 H new ATOM 0 HB1 ALA A 76 5.951 -5.009 -2.692 1.00 10.00 H new ATOM 0 HB2 ALA A 76 4.194 -5.204 -2.892 1.00 10.00 H new ATOM 0 HB3 ALA A 76 4.847 -4.515 -1.387 1.00 10.00 H new ATOM 746 N LYS A 77 7.528 -6.822 -1.096 1.00 10.00 N ATOM 747 CA LYS A 77 8.737 -6.759 -0.261 1.00 10.00 C ATOM 748 C LYS A 77 9.891 -6.034 -0.968 1.00 10.00 C ATOM 749 O LYS A 77 9.884 -5.870 -2.183 1.00 10.00 O ATOM 750 CB LYS A 77 9.191 -8.165 0.172 1.00 10.00 C ATOM 751 CG LYS A 77 8.365 -8.739 1.334 1.00 10.00 C ATOM 752 CD LYS A 77 9.174 -9.836 2.044 1.00 10.00 C ATOM 753 CE LYS A 77 8.403 -10.414 3.240 1.00 10.00 C ATOM 754 NZ LYS A 77 9.256 -11.281 4.082 1.00 10.00 N ATOM 0 H LYS A 77 7.723 -6.926 -2.092 1.00 10.00 H new ATOM 0 HA LYS A 77 8.470 -6.184 0.626 1.00 10.00 H new ATOM 0 HB2 LYS A 77 9.123 -8.840 -0.681 1.00 10.00 H new ATOM 0 HB3 LYS A 77 10.240 -8.126 0.465 1.00 10.00 H new ATOM 0 HG2 LYS A 77 8.109 -7.947 2.038 1.00 10.00 H new ATOM 0 HG3 LYS A 77 7.427 -9.149 0.960 1.00 10.00 H new ATOM 0 HD2 LYS A 77 9.406 -10.634 1.338 1.00 10.00 H new ATOM 0 HD3 LYS A 77 10.125 -9.426 2.385 1.00 10.00 H new ATOM 0 HE2 LYS A 77 8.007 -9.598 3.844 1.00 10.00 H new ATOM 0 HE3 LYS A 77 7.549 -10.987 2.878 1.00 10.00 H new ATOM 0 HZ1 LYS A 77 8.697 -11.650 4.878 1.00 10.00 H new ATOM 0 HZ2 LYS A 77 9.614 -12.074 3.513 1.00 10.00 H new ATOM 0 HZ3 LYS A 77 10.057 -10.729 4.449 1.00 10.00 H new ATOM 768 N GLY A 78 10.901 -5.612 -0.199 1.00 10.00 N ATOM 769 CA GLY A 78 12.097 -4.962 -0.723 1.00 10.00 C ATOM 770 C GLY A 78 11.747 -3.721 -1.544 1.00 10.00 C ATOM 771 O GLY A 78 10.762 -3.039 -1.252 1.00 10.00 O ATOM 0 H GLY A 78 10.906 -5.716 0.816 1.00 10.00 H new ATOM 0 HA2 GLY A 78 12.751 -4.681 0.103 1.00 10.00 H new ATOM 0 HA3 GLY A 78 12.652 -5.665 -1.344 1.00 10.00 H new ATOM 775 N ALA A 79 12.510 -3.485 -2.618 1.00 10.00 N ATOM 776 CA ALA A 79 12.329 -2.341 -3.503 1.00 10.00 C ATOM 777 C ALA A 79 10.886 -2.224 -3.995 1.00 10.00 C ATOM 778 O ALA A 79 10.403 -1.120 -4.229 1.00 10.00 O ATOM 779 CB ALA A 79 13.296 -2.435 -4.686 1.00 10.00 C ATOM 0 H ALA A 79 13.279 -4.095 -2.896 1.00 10.00 H new ATOM 0 HA ALA A 79 12.549 -1.439 -2.932 1.00 10.00 H new ATOM 0 HB1 ALA A 79 13.153 -1.576 -5.342 1.00 10.00 H new ATOM 0 HB2 ALA A 79 14.322 -2.444 -4.318 1.00 10.00 H new ATOM 0 HB3 ALA A 79 13.102 -3.352 -5.242 1.00 10.00 H new ATOM 785 N GLU A 80 10.205 -3.365 -4.149 1.00 10.00 N ATOM 786 CA GLU A 80 8.789 -3.433 -4.466 1.00 10.00 C ATOM 787 C GLU A 80 8.013 -2.596 -3.435 1.00 10.00 C ATOM 788 O GLU A 80 7.381 -1.594 -3.766 1.00 10.00 O ATOM 789 CB GLU A 80 8.378 -4.922 -4.470 1.00 10.00 C ATOM 790 CG GLU A 80 7.300 -5.279 -5.485 1.00 10.00 C ATOM 791 CD GLU A 80 6.792 -6.705 -5.340 1.00 10.00 C ATOM 792 OE1 GLU A 80 6.697 -7.220 -4.207 1.00 10.00 O ATOM 793 OE2 GLU A 80 6.346 -7.292 -6.343 1.00 10.00 O ATOM 0 H GLU A 80 10.640 -4.283 -4.053 1.00 10.00 H new ATOM 0 HA GLU A 80 8.563 -3.019 -5.449 1.00 10.00 H new ATOM 0 HB2 GLU A 80 9.261 -5.529 -4.669 1.00 10.00 H new ATOM 0 HB3 GLU A 80 8.025 -5.191 -3.474 1.00 10.00 H new ATOM 0 HG2 GLU A 80 6.463 -4.589 -5.375 1.00 10.00 H new ATOM 0 HG3 GLU A 80 7.697 -5.142 -6.491 1.00 10.00 H new ATOM 800 N ALA A 81 8.110 -2.989 -2.163 1.00 10.00 N ATOM 801 CA ALA A 81 7.438 -2.327 -1.054 1.00 10.00 C ATOM 802 C ALA A 81 7.885 -0.869 -0.927 1.00 10.00 C ATOM 803 O ALA A 81 7.045 0.025 -0.827 1.00 10.00 O ATOM 804 CB ALA A 81 7.688 -3.102 0.244 1.00 10.00 C ATOM 0 H ALA A 81 8.669 -3.792 -1.875 1.00 10.00 H new ATOM 0 HA ALA A 81 6.366 -2.318 -1.251 1.00 10.00 H new ATOM 0 HB1 ALA A 81 7.183 -2.601 1.070 1.00 10.00 H new ATOM 0 HB2 ALA A 81 7.301 -4.116 0.143 1.00 10.00 H new ATOM 0 HB3 ALA A 81 8.759 -3.141 0.444 1.00 10.00 H new ATOM 810 N GLU A 82 9.200 -0.635 -0.932 1.00 10.00 N ATOM 811 CA GLU A 82 9.783 0.696 -0.798 1.00 10.00 C ATOM 812 C GLU A 82 9.230 1.646 -1.862 1.00 10.00 C ATOM 813 O GLU A 82 8.752 2.735 -1.542 1.00 10.00 O ATOM 814 CB GLU A 82 11.310 0.585 -0.871 1.00 10.00 C ATOM 815 CG GLU A 82 11.881 -0.209 0.313 1.00 10.00 C ATOM 816 CD GLU A 82 13.363 -0.504 0.120 1.00 10.00 C ATOM 817 OE1 GLU A 82 13.653 -1.514 -0.558 1.00 10.00 O ATOM 818 OE2 GLU A 82 14.174 0.289 0.642 1.00 10.00 O ATOM 0 H GLU A 82 9.895 -1.375 -1.031 1.00 10.00 H new ATOM 0 HA GLU A 82 9.510 1.117 0.170 1.00 10.00 H new ATOM 0 HB2 GLU A 82 11.595 0.101 -1.805 1.00 10.00 H new ATOM 0 HB3 GLU A 82 11.747 1.584 -0.884 1.00 10.00 H new ATOM 0 HG2 GLU A 82 11.738 0.355 1.235 1.00 10.00 H new ATOM 0 HG3 GLU A 82 11.333 -1.145 0.424 1.00 10.00 H new ATOM 825 N ALA A 83 9.278 1.230 -3.131 1.00 10.00 N ATOM 826 CA ALA A 83 8.777 2.032 -4.234 1.00 10.00 C ATOM 827 C ALA A 83 7.307 2.376 -4.005 1.00 10.00 C ATOM 828 O ALA A 83 6.927 3.544 -4.088 1.00 10.00 O ATOM 829 CB ALA A 83 8.985 1.294 -5.559 1.00 10.00 C ATOM 0 H ALA A 83 9.665 0.330 -3.414 1.00 10.00 H new ATOM 0 HA ALA A 83 9.334 2.967 -4.284 1.00 10.00 H new ATOM 0 HB1 ALA A 83 8.606 1.904 -6.379 1.00 10.00 H new ATOM 0 HB2 ALA A 83 10.048 1.106 -5.708 1.00 10.00 H new ATOM 0 HB3 ALA A 83 8.449 0.345 -5.535 1.00 10.00 H new ATOM 835 N VAL A 84 6.481 1.369 -3.702 1.00 10.00 N ATOM 836 CA VAL A 84 5.068 1.596 -3.434 1.00 10.00 C ATOM 837 C VAL A 84 4.876 2.615 -2.313 1.00 10.00 C ATOM 838 O VAL A 84 4.183 3.609 -2.500 1.00 10.00 O ATOM 839 CB VAL A 84 4.348 0.275 -3.145 1.00 10.00 C ATOM 840 CG1 VAL A 84 2.905 0.546 -2.705 1.00 10.00 C ATOM 841 CG2 VAL A 84 4.319 -0.568 -4.421 1.00 10.00 C ATOM 0 H VAL A 84 6.771 0.393 -3.638 1.00 10.00 H new ATOM 0 HA VAL A 84 4.614 2.021 -4.329 1.00 10.00 H new ATOM 0 HB VAL A 84 4.877 -0.252 -2.351 1.00 10.00 H new ATOM 0 HG11 VAL A 84 2.403 -0.400 -2.502 1.00 10.00 H new ATOM 0 HG12 VAL A 84 2.909 1.156 -1.802 1.00 10.00 H new ATOM 0 HG13 VAL A 84 2.376 1.075 -3.498 1.00 10.00 H new ATOM 0 HG21 VAL A 84 3.808 -1.510 -4.223 1.00 10.00 H new ATOM 0 HG22 VAL A 84 3.789 -0.025 -5.204 1.00 10.00 H new ATOM 0 HG23 VAL A 84 5.339 -0.770 -4.747 1.00 10.00 H new ATOM 851 N ALA A 85 5.470 2.361 -1.149 1.00 10.00 N ATOM 852 CA ALA A 85 5.419 3.258 -0.005 1.00 10.00 C ATOM 853 C ALA A 85 5.768 4.695 -0.399 1.00 10.00 C ATOM 854 O ALA A 85 5.000 5.612 -0.117 1.00 10.00 O ATOM 855 CB ALA A 85 6.350 2.750 1.095 1.00 10.00 C ATOM 0 H ALA A 85 6.008 1.512 -0.975 1.00 10.00 H new ATOM 0 HA ALA A 85 4.397 3.270 0.374 1.00 10.00 H new ATOM 0 HB1 ALA A 85 6.307 3.426 1.949 1.00 10.00 H new ATOM 0 HB2 ALA A 85 6.037 1.753 1.405 1.00 10.00 H new ATOM 0 HB3 ALA A 85 7.371 2.708 0.717 1.00 10.00 H new ATOM 861 N ALA A 86 6.912 4.894 -1.057 1.00 10.00 N ATOM 862 CA ALA A 86 7.369 6.216 -1.476 1.00 10.00 C ATOM 863 C ALA A 86 6.347 6.881 -2.404 1.00 10.00 C ATOM 864 O ALA A 86 5.929 8.018 -2.188 1.00 10.00 O ATOM 865 CB ALA A 86 8.737 6.092 -2.154 1.00 10.00 C ATOM 0 H ALA A 86 7.548 4.139 -1.314 1.00 10.00 H new ATOM 0 HA ALA A 86 7.469 6.853 -0.597 1.00 10.00 H new ATOM 0 HB1 ALA A 86 9.079 7.079 -2.467 1.00 10.00 H new ATOM 0 HB2 ALA A 86 9.454 5.666 -1.452 1.00 10.00 H new ATOM 0 HB3 ALA A 86 8.653 5.443 -3.026 1.00 10.00 H new ATOM 871 N TRP A 87 5.930 6.153 -3.438 1.00 10.00 N ATOM 872 CA TRP A 87 4.960 6.622 -4.414 1.00 10.00 C ATOM 873 C TRP A 87 3.657 7.028 -3.712 1.00 10.00 C ATOM 874 O TRP A 87 3.126 8.115 -3.929 1.00 10.00 O ATOM 875 CB TRP A 87 4.784 5.493 -5.429 1.00 10.00 C ATOM 876 CG TRP A 87 3.761 5.661 -6.502 1.00 10.00 C ATOM 877 CD1 TRP A 87 3.912 6.362 -7.645 1.00 10.00 C ATOM 878 CD2 TRP A 87 2.455 5.030 -6.591 1.00 10.00 C ATOM 879 NE1 TRP A 87 2.800 6.183 -8.444 1.00 10.00 N ATOM 880 CE2 TRP A 87 1.856 5.387 -7.833 1.00 10.00 C ATOM 881 CE3 TRP A 87 1.732 4.165 -5.752 1.00 10.00 C ATOM 882 CZ2 TRP A 87 0.592 4.916 -8.218 1.00 10.00 C ATOM 883 CZ3 TRP A 87 0.441 3.740 -6.099 1.00 10.00 C ATOM 884 CH2 TRP A 87 -0.128 4.105 -7.325 1.00 10.00 C ATOM 0 H TRP A 87 6.264 5.207 -3.620 1.00 10.00 H new ATOM 0 HA TRP A 87 5.294 7.518 -4.937 1.00 10.00 H new ATOM 0 HB2 TRP A 87 5.747 5.326 -5.911 1.00 10.00 H new ATOM 0 HB3 TRP A 87 4.542 4.585 -4.877 1.00 10.00 H new ATOM 0 HD1 TRP A 87 4.769 6.969 -7.896 1.00 10.00 H new ATOM 0 HE1 TRP A 87 2.691 6.590 -9.373 1.00 10.00 H new ATOM 0 HE3 TRP A 87 2.176 3.823 -4.829 1.00 10.00 H new ATOM 0 HZ2 TRP A 87 0.180 5.172 -9.183 1.00 10.00 H new ATOM 0 HZ3 TRP A 87 -0.121 3.124 -5.412 1.00 10.00 H new ATOM 0 HH2 TRP A 87 -1.119 3.763 -7.584 1.00 10.00 H new ATOM 895 N LEU A 88 3.152 6.176 -2.822 1.00 10.00 N ATOM 896 CA LEU A 88 2.001 6.508 -1.995 1.00 10.00 C ATOM 897 C LEU A 88 2.256 7.696 -1.075 1.00 10.00 C ATOM 898 O LEU A 88 1.333 8.471 -0.858 1.00 10.00 O ATOM 899 CB LEU A 88 1.507 5.322 -1.171 1.00 10.00 C ATOM 900 CG LEU A 88 0.828 4.223 -1.996 1.00 10.00 C ATOM 901 CD1 LEU A 88 -0.024 3.399 -1.050 1.00 10.00 C ATOM 902 CD2 LEU A 88 -0.189 4.711 -3.026 1.00 10.00 C ATOM 0 H LEU A 88 3.529 5.243 -2.657 1.00 10.00 H new ATOM 0 HA LEU A 88 1.220 6.786 -2.703 1.00 10.00 H new ATOM 0 HB2 LEU A 88 2.352 4.889 -0.635 1.00 10.00 H new ATOM 0 HB3 LEU A 88 0.805 5.683 -0.420 1.00 10.00 H new ATOM 0 HG LEU A 88 1.645 3.710 -2.504 1.00 10.00 H new ATOM 0 HD11 LEU A 88 -0.523 2.606 -1.607 1.00 10.00 H new ATOM 0 HD12 LEU A 88 0.609 2.959 -0.280 1.00 10.00 H new ATOM 0 HD13 LEU A 88 -0.772 4.039 -0.582 1.00 10.00 H new ATOM 0 HD21 LEU A 88 -0.610 3.856 -3.555 1.00 10.00 H new ATOM 0 HD22 LEU A 88 -0.987 5.254 -2.520 1.00 10.00 H new ATOM 0 HD23 LEU A 88 0.304 5.372 -3.739 1.00 10.00 H new ATOM 914 N ALA A 89 3.468 7.868 -0.545 1.00 10.00 N ATOM 915 CA ALA A 89 3.824 9.069 0.205 1.00 10.00 C ATOM 916 C ALA A 89 3.516 10.314 -0.626 1.00 10.00 C ATOM 917 O ALA A 89 2.984 11.298 -0.111 1.00 10.00 O ATOM 918 CB ALA A 89 5.294 9.037 0.633 1.00 10.00 C ATOM 0 H ALA A 89 4.222 7.185 -0.623 1.00 10.00 H new ATOM 0 HA ALA A 89 3.223 9.103 1.114 1.00 10.00 H new ATOM 0 HB1 ALA A 89 5.531 9.944 1.190 1.00 10.00 H new ATOM 0 HB2 ALA A 89 5.470 8.167 1.265 1.00 10.00 H new ATOM 0 HB3 ALA A 89 5.929 8.978 -0.251 1.00 10.00 H new ATOM 924 N GLU A 90 3.830 10.256 -1.924 1.00 10.00 N ATOM 925 CA GLU A 90 3.432 11.289 -2.867 1.00 10.00 C ATOM 926 C GLU A 90 1.906 11.377 -3.016 1.00 10.00 C ATOM 927 O GLU A 90 1.389 12.488 -3.134 1.00 10.00 O ATOM 928 CB GLU A 90 4.131 11.103 -4.226 1.00 10.00 C ATOM 929 CG GLU A 90 5.235 12.150 -4.433 1.00 10.00 C ATOM 930 CD GLU A 90 5.886 12.060 -5.810 1.00 10.00 C ATOM 931 OE1 GLU A 90 5.402 11.249 -6.630 1.00 10.00 O ATOM 932 OE2 GLU A 90 6.854 12.822 -6.019 1.00 10.00 O ATOM 0 H GLU A 90 4.364 9.494 -2.342 1.00 10.00 H new ATOM 0 HA GLU A 90 3.760 12.244 -2.458 1.00 10.00 H new ATOM 0 HB2 GLU A 90 4.560 10.103 -4.283 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.397 11.181 -5.028 1.00 10.00 H new ATOM 0 HG2 GLU A 90 4.814 13.146 -4.300 1.00 10.00 H new ATOM 0 HG3 GLU A 90 5.999 12.022 -3.666 1.00 10.00 H new ATOM 939 N LYS A 91 1.169 10.256 -3.034 1.00 10.00 N ATOM 940 CA LYS A 91 -0.265 10.312 -3.296 1.00 10.00 C ATOM 941 C LYS A 91 -1.034 10.854 -2.082 1.00 10.00 C ATOM 942 O LYS A 91 -0.857 10.392 -0.954 1.00 10.00 O ATOM 943 CB LYS A 91 -0.782 8.944 -3.742 1.00 10.00 C ATOM 944 CG LYS A 91 -0.206 8.534 -5.102 1.00 10.00 C ATOM 945 CD LYS A 91 -0.995 7.368 -5.717 1.00 10.00 C ATOM 946 CE LYS A 91 -2.215 7.783 -6.566 1.00 10.00 C ATOM 947 NZ LYS A 91 -3.289 8.497 -5.823 1.00 10.00 N ATOM 0 H LYS A 91 1.539 9.319 -2.873 1.00 10.00 H new ATOM 0 HA LYS A 91 -0.439 11.011 -4.114 1.00 10.00 H new ATOM 0 HB2 LYS A 91 -0.519 8.195 -2.995 1.00 10.00 H new ATOM 0 HB3 LYS A 91 -1.870 8.968 -3.800 1.00 10.00 H new ATOM 0 HG2 LYS A 91 -0.227 9.387 -5.780 1.00 10.00 H new ATOM 0 HG3 LYS A 91 0.839 8.246 -4.984 1.00 10.00 H new ATOM 0 HD2 LYS A 91 -0.320 6.781 -6.340 1.00 10.00 H new ATOM 0 HD3 LYS A 91 -1.336 6.715 -4.913 1.00 10.00 H new ATOM 0 HE2 LYS A 91 -1.871 8.422 -7.380 1.00 10.00 H new ATOM 0 HE3 LYS A 91 -2.642 6.889 -7.021 1.00 10.00 H new ATOM 0 HZ1 LYS A 91 -4.125 8.599 -6.434 1.00 10.00 H new ATOM 0 HZ2 LYS A 91 -3.545 7.953 -4.974 1.00 10.00 H new ATOM 0 HZ3 LYS A 91 -2.949 9.439 -5.541 1.00 10.00 H new ATOM 961 N LYS A 92 -1.856 11.882 -2.312 1.00 10.00 N ATOM 962 CA LYS A 92 -2.607 12.630 -1.321 1.00 10.00 C ATOM 963 C LYS A 92 -3.857 13.129 -2.041 1.00 10.00 C ATOM 964 O LYS A 92 -4.831 13.472 -1.336 1.00 10.00 O ATOM 965 CB LYS A 92 -1.791 13.828 -0.818 1.00 10.00 C ATOM 966 CG LYS A 92 -0.440 13.410 -0.228 1.00 10.00 C ATOM 967 CD LYS A 92 0.399 14.633 0.146 1.00 10.00 C ATOM 968 CE LYS A 92 1.859 14.190 0.316 1.00 10.00 C ATOM 969 NZ LYS A 92 2.787 15.333 0.376 1.00 10.00 N ATOM 970 OXT LYS A 92 -3.782 13.175 -3.292 1.00 10.00 O ATOM 0 H LYS A 92 -2.019 12.229 -3.257 1.00 10.00 H new ATOM 0 HA LYS A 92 -2.848 12.011 -0.457 1.00 10.00 H new ATOM 0 HB2 LYS A 92 -1.625 14.522 -1.642 1.00 10.00 H new ATOM 0 HB3 LYS A 92 -2.365 14.363 -0.061 1.00 10.00 H new ATOM 0 HG2 LYS A 92 -0.601 12.792 0.655 1.00 10.00 H new ATOM 0 HG3 LYS A 92 0.103 12.800 -0.950 1.00 10.00 H new ATOM 0 HD2 LYS A 92 0.323 15.396 -0.629 1.00 10.00 H new ATOM 0 HD3 LYS A 92 0.029 15.078 1.069 1.00 10.00 H new ATOM 0 HE2 LYS A 92 1.953 13.600 1.228 1.00 10.00 H new ATOM 0 HE3 LYS A 92 2.138 13.541 -0.514 1.00 10.00 H new ATOM 0 HZ1 LYS A 92 3.760 14.984 0.491 1.00 10.00 H new ATOM 0 HZ2 LYS A 92 2.718 15.883 -0.504 1.00 10.00 H new ATOM 0 HZ3 LYS A 92 2.539 15.940 1.183 1.00 10.00 H new TER 984 LYS A 92 HETATM 985 FE HEC A 93 -3.594 -2.631 2.507 1.00 10.00 FE HETATM 986 CHA HEC A 93 -4.711 -1.015 5.435 1.00 10.00 C HETATM 987 CHB HEC A 93 -1.271 -0.127 2.053 1.00 10.00 C HETATM 988 CHC HEC A 93 -2.358 -4.454 -0.051 1.00 10.00 C HETATM 989 CHD HEC A 93 -6.175 -4.985 2.956 1.00 10.00 C HETATM 990 NA HEC A 93 -3.053 -0.912 3.575 1.00 10.00 N HETATM 991 C1A HEC A 93 -3.636 -0.469 4.728 1.00 10.00 C HETATM 992 C2A HEC A 93 -2.969 0.753 5.110 1.00 10.00 C HETATM 993 C3A HEC A 93 -2.004 1.018 4.165 1.00 10.00 C HETATM 994 C4A HEC A 93 -2.072 -0.046 3.187 1.00 10.00 C HETATM 995 CMA HEC A 93 -1.032 2.181 4.166 1.00 10.00 C HETATM 996 CAA HEC A 93 -3.333 1.588 6.313 1.00 10.00 C HETATM 997 CBA HEC A 93 -4.697 2.276 6.172 1.00 10.00 C HETATM 998 CGA HEC A 93 -5.357 2.413 7.533 1.00 10.00 C HETATM 999 O1A HEC A 93 -5.395 3.555 8.039 1.00 10.00 O HETATM 1000 O2A HEC A 93 -5.784 1.357 8.049 1.00 10.00 O HETATM 1001 NB HEC A 93 -2.130 -2.308 1.189 1.00 10.00 N HETATM 1002 C1B HEC A 93 -1.321 -1.202 1.155 1.00 10.00 C HETATM 1003 C2B HEC A 93 -0.499 -1.321 -0.024 1.00 10.00 C HETATM 1004 C3B HEC A 93 -0.701 -2.591 -0.531 1.00 10.00 C HETATM 1005 C4B HEC A 93 -1.789 -3.191 0.211 1.00 10.00 C HETATM 1006 CMB HEC A 93 0.381 -0.233 -0.610 1.00 10.00 C HETATM 1007 CAB HEC A 93 0.033 -3.223 -1.692 1.00 10.00 C HETATM 1008 CBB HEC A 93 1.523 -3.463 -1.434 1.00 10.00 C HETATM 1009 NC HEC A 93 -4.139 -4.436 1.646 1.00 10.00 N HETATM 1010 C1C HEC A 93 -3.469 -4.977 0.611 1.00 10.00 C HETATM 1011 C2C HEC A 93 -4.157 -6.189 0.226 1.00 10.00 C HETATM 1012 C3C HEC A 93 -5.236 -6.345 1.069 1.00 10.00 C HETATM 1013 C4C HEC A 93 -5.225 -5.211 1.966 1.00 10.00 C HETATM 1014 CMC HEC A 93 -3.879 -6.987 -1.022 1.00 10.00 C HETATM 1015 CAC HEC A 93 -6.307 -7.424 0.979 1.00 10.00 C HETATM 1016 CBC HEC A 93 -5.828 -8.825 1.368 1.00 10.00 C HETATM 1017 ND HEC A 93 -5.187 -2.914 3.907 1.00 10.00 N HETATM 1018 C1D HEC A 93 -6.118 -3.916 3.839 1.00 10.00 C HETATM 1019 C2D HEC A 93 -7.052 -3.722 4.920 1.00 10.00 C HETATM 1020 C3D HEC A 93 -6.608 -2.646 5.652 1.00 10.00 C HETATM 1021 C4D HEC A 93 -5.435 -2.121 4.994 1.00 10.00 C HETATM 1022 CMD HEC A 93 -8.242 -4.589 5.264 1.00 10.00 C HETATM 1023 CAD HEC A 93 -7.161 -2.244 6.995 1.00 10.00 C HETATM 1024 CBD HEC A 93 -6.598 -3.167 8.068 1.00 10.00 C HETATM 1025 CGD HEC A 93 -7.554 -3.337 9.231 1.00 10.00 C HETATM 1026 O1D HEC A 93 -8.306 -4.335 9.179 1.00 10.00 O HETATM 1027 O2D HEC A 93 -7.499 -2.492 10.147 1.00 10.00 O HETATM 0 HMD3 HEC A 93 -8.931 -4.613 4.420 1.00 10.00 H new HETATM 0 HMD2 HEC A 93 -7.903 -5.601 5.485 1.00 10.00 H new HETATM 0 HMD1 HEC A 93 -8.751 -4.179 6.136 1.00 10.00 H new HETATM 0 HMC3 HEC A 93 -4.048 -6.362 -1.899 1.00 10.00 H new HETATM 0 HMC2 HEC A 93 -2.843 -7.327 -1.013 1.00 10.00 H new HETATM 0 HMC1 HEC A 93 -4.544 -7.850 -1.058 1.00 10.00 H new HETATM 0 HMB3 HEC A 93 -0.233 0.627 -0.878 1.00 10.00 H new HETATM 0 HMB2 HEC A 93 1.126 0.068 0.126 1.00 10.00 H new HETATM 0 HMB1 HEC A 93 0.883 -0.611 -1.500 1.00 10.00 H new HETATM 0 HMA3 HEC A 93 -1.587 3.119 4.146 1.00 10.00 H new HETATM 0 HMA2 HEC A 93 -0.418 2.141 5.066 1.00 10.00 H new HETATM 0 HMA1 HEC A 93 -0.391 2.120 3.287 1.00 10.00 H new HETATM 0 HBD2 HEC A 93 -6.383 -4.142 7.631 1.00 10.00 H new HETATM 0 HBD1 HEC A 93 -5.652 -2.765 8.432 1.00 10.00 H new HETATM 0 HBC3 HEC A 93 -5.016 -9.128 0.708 1.00 10.00 H new HETATM 0 HBC2 HEC A 93 -5.473 -8.815 2.399 1.00 10.00 H new HETATM 0 HBC1 HEC A 93 -6.654 -9.531 1.275 1.00 10.00 H new HETATM 0 HBB3 HEC A 93 2.014 -2.513 -1.224 1.00 10.00 H new HETATM 0 HBB2 HEC A 93 1.642 -4.129 -0.579 1.00 10.00 H new HETATM 0 HBB1 HEC A 93 1.976 -3.919 -2.315 1.00 10.00 H new HETATM 0 HBA2 HEC A 93 -4.572 3.260 5.720 1.00 10.00 H new HETATM 0 HBA1 HEC A 93 -5.337 1.698 5.506 1.00 10.00 H new HETATM 0 HAD2 HEC A 93 -6.898 -1.209 7.215 1.00 10.00 H new HETATM 0 HAD1 HEC A 93 -8.249 -2.301 6.985 1.00 10.00 H new HETATM 0 HAA2 HEC A 93 -3.341 0.954 7.200 1.00 10.00 H new HETATM 0 HAA1 HEC A 93 -2.564 2.345 6.470 1.00 10.00 H new HETATM 0 HHD HEC A 93 -7.007 -5.683 3.043 1.00 10.00 H new HETATM 0 HHC HEC A 93 -1.897 -5.066 -0.826 1.00 10.00 H new HETATM 0 HHB HEC A 93 -0.571 0.684 1.853 1.00 10.00 H new HETATM 0 HHA HEC A 93 -4.998 -0.552 6.379 1.00 10.00 H new HETATM 0 H2D HEC A 93 -8.291 -2.576 10.718 1.00 10.00 H new HETATM 0 H2A HEC A 93 -5.089 0.968 8.620 1.00 10.00 H new CONECT 159 1007 CONECT 199 1015 CONECT 213 985 CONECT 678 985 CONECT 985 213 678 990 1001 CONECT 985 1009 1017 CONECT 986 991 1021 1028 CONECT 987 994 1002 1029 CONECT 988 1005 1010 1030 CONECT 989 1013 1018 1031 CONECT 990 985 991 994 CONECT 991 986 990 992 CONECT 992 991 993 996 CONECT 993 992 994 995 CONECT 994 987 990 993 CONECT 995 993 1032 1033 1034 CONECT 996 992 997 1035 1036 CONECT 997 996 998 1037 1038 CONECT 998 997 999 1000 CONECT 999 998 CONECT 1000 998 CONECT 1001 985 1002 1005 CONECT 1002 987 1001 1003 CONECT 1003 1002 1004 1006 CONECT 1004 1003 1005 1007 CONECT 1005 988 1001 1004 CONECT 1006 1003 1039 1040 1041 CONECT 1007 159 1004 1008 1042 CONECT 1008 1007 1043 1044 1045 CONECT 1009 985 1010 1013 CONECT 1010 988 1009 1011 CONECT 1011 1010 1012 1014 CONECT 1012 1011 1013 1015 CONECT 1013 989 1009 1012 CONECT 1014 1011 1046 1047 1048 CONECT 1015 199 1012 1016 1049 CONECT 1016 1015 1050 1051 1052 CONECT 1017 985 1018 1021 CONECT 1018 989 1017 1019 CONECT 1019 1018 1020 1022 CONECT 1020 1019 1021 1023 CONECT 1021 986 1017 1020 CONECT 1022 1019 1053 1054 1055 CONECT 1023 1020 1024 1056 1057 CONECT 1024 1023 1025 1058 1059 CONECT 1025 1024 1026 1027 CONECT 1026 1025 CONECT 1027 1025 CONECT 1028 986 CONECT 1029 987 CONECT 1030 988 CONECT 1031 989 CONECT 1032 995 CONECT 1033 995 CONECT 1034 995 CONECT 1035 996 CONECT 1036 996 CONECT 1037 997 CONECT 1038 997 CONECT 1039 1006 CONECT 1040 1006 CONECT 1041 1006 CONECT 1042 1007 CONECT 1043 1008 CONECT 1044 1008 CONECT 1045 1008 CONECT 1046 1014 CONECT 1047 1014 CONECT 1048 1014 CONECT 1049 1015 CONECT 1050 1016 CONECT 1051 1016 CONECT 1052 1016 CONECT 1053 1022 CONECT 1054 1022 CONECT 1055 1022 CONECT 1056 1023 CONECT 1057 1023 CONECT 1058 1024 CONECT 1059 1024 END