USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) HEADER DNA BINDING PROTEIN/DNA 09-MAY-95 1HRY TITLE THE 3D STRUCTURE OF THE HUMAN SRY-DNA COMPLEX SOLVED BY TITLE 2 MULTID-DIMENSIONAL HETERONUCLEAR-EDITED AND-FILTERED NMR COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*CP*AP*CP*AP*AP*AP*C)-3'); COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*GP*TP*TP*TP*GP*TP*GP*C)-3'); COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 0 MOLECULE: HUMAN SRY; COMPND 1 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED; SOURCE 4 MOL_ID: 2; SOURCE 5 SYNTHETIC: YES; SOURCE 6 OTHER_DETAILS: CHEMICALLY SYNTHESIZED; SOURCE 7 MOL_ID: 3; SOURCE 8 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 9 ORGANISM_COMMON: HUMAN; SOURCE 0 ORGANISM_TAXID: 9606 KEYWDS DNA, NMR, SRY, DNA-BINDING PROTEIN, DNA BINDING PROTEIN/DNA KEYWDS 2 COMPLEX EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,M.H.WERNER,J.R.HUTH,A.M.GRONENBORN REVDAT 3 24-FEB-09 1HRY 1 VERSN REVDAT 2 01-APR-03 1HRY 1 JRNL REVDAT 1 15-SEP-95 1HRY 0 JRNL AUTH M.H.WERNER,J.R.HUTH,A.M.GRONENBORN,G.M.CLORE JRNL TITL MOLECULAR BASIS OF HUMAN 46X,Y SEX REVERSAL JRNL TITL 2 REVEALED FROM THE THREE-DIMENSIONAL SOLUTION JRNL TITL 3 STRUCTURE OF THE HUMAN SRY-DNA COMPLEX. JRNL REF CELL(CAMBRIDGE,MASS.) V. 81 704 1995 JRNL REFN ISSN 0092-8674 JRNL PMID 7774012 JRNL DOI 10.1016/0092-8674(95)90532-4 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 NUMBER OF ATOMS USED IN REFINEMENT. REMARK 3 NUMBER OF PROTEIN ATOMS 644 REMARK 3 NUMBER OF NUCLEIC ACID ATOMS 322 REMARK 3 NUMBER OF HETEROGEN ATOMS 0 REMARK 3 NUMBER OF SOLVENT ATOMS 0 REMARK 3 REMARK 3 THE STRUCTURES WERE CALCULATED USING THE SIMULATED REMARK 3 ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. 229, REMARK 3 129 - 136 USING THE PROGRAM X-PLOR 3.1 (BRUNGER) MODIFIED REMARK 3 TO INCORPORATE COUPLING CONSTANT (GARRETT ET AL. (1984) J. REMARK 3 MAGN. RESON. SERIES B 104, 99 - 103) AND CARBON CHEMICAL REMARK 3 SHIFT RESTRAINTS (KUSZEWSKI ET AL. (1995) MAGN. RESON. REMARK 3 SERIES B 106, 92 - 96). REMARK 3 REMARK 3 THE 3D STRUCTURE OF THE HUMAN SRY-DNA COMPLEX SOLVED BY REMARK 3 MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED NMR REMARK 3 IS BASED ON 1805 EXPERIMENTAL RESTRAINTS: REMARK 3 (A) INTRA-PROTEIN: REMARK 3 290 SEQUENTIAL (|I-J|=1), REMARK 3 221 MEDIUM RANGE (1 < |I-J| >=5) AND REMARK 3 107 LONG RANGE (|I-J| >5) INTERRESIDUES. REMARK 3 238 INTRARESIDUE APPROXIMATE INTERPROTON DISTANCE REMARK 3 RESTRAINTS; REMARK 3 70 DISTANCE RESTRAINTS FOR 35 HYDROGEN BONDS; REMARK 3 153 TORSION ANGLE (71 PHI, 10 PSI, 56 CHI1 AND 16 CHI2) REMARK 3 RESTRAINTS; REMARK 3 56 THREE-BOND HN-HA COUPLING CONSTANT RESTRAINTS; REMARK 3 145 (73 CALPHA AND 72 CBETA) 13C SHIFT RESTRAINTS. REMARK 3 (B) INTRA-DNA: REMARK 3 206 INTRARESIDUE, REMARK 3 96 SEQUENTIAL INTRASTRAND, REMARK 3 36 INTERSTRAND INTERPROTON DISTANCE RESTRAINTS; REMARK 3 40 H-BOND RESTRAINTS; REMARK 3 72 TORSION ANGLE RESTRAINTS (FOR ALPHA, BETA, GAMMA, REMARK 3 EPSILON AND ZETA BACKBONE TORSION ANGLES. REMARK 3 (C) INTERMOLECULAR: REMARK 3 75 INTERPROTON DISTANCE RESTRAINTS REMARK 3 REMARK 3 THE STRUCTURE IN THIS ENTRY IS THE RESTRAINED REGULARIZED REMARK 3 MEAN STRUCTURE. THE LAST COLUMN REPRESENTS THE RMS OF THE REMARK 3 35 INDIVIDUAL SIMULATED ANNEALING STRUCTURES ABOUT THE MEAN REMARK 3 COORDINATE POSITIONS. THE 35 INDIVIDUAL STRUCTURES CAN BE REMARK 3 FOUND IN PDB ENTRY 1HRZ. THE LAST COLUMN IN THE INDIVIDUAL REMARK 3 SA STRUCTURES HAS NO MEANING. REMARK 4 REMARK 4 1HRY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING 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: THE 3D STRUCTURE OF THE HUMAN SRY-DNA COMPLEX SOLVED BY REMARK 210 MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED NMR IS REMARK 210 BASED ON 1805 EXPERIMENTAL RESTRAINTS: (A) INTRA-PROTEIN: 290 REMARK 210 SEQUENTIAL (|I-J|=1), 221 MEDIUM RANGE (1 < |I-J| >=5) AND 107 REMARK 210 LONG RANGE (|I-J| >5) INTERRESIDUES. 238 INTRARESIDUE REMARK 210 APPROXIMATE INTERPROTON DISTANCE RESTRAINTS; 70 DISTANCE REMARK 210 RESTRAINTS FOR 35 HYDROGEN BONDS; 153 TORSION ANGLE (71 PHI, REMARK 210 10 PSI, 56 CHI1 AND 16 CHI2) RESTRAINTS; 56 THREE-BOND HN-HA REMARK 210 COUPLING CONSTANT RESTRAINTS; 145 (73 CALPHA AND 72 CBETA) 13C REMARK 210 SHIFT RESTRAINTS. (B) INTRA-DNA: 206 INTRARESIDUE, 96 REMARK 210 SEQUENTIAL INTRASTRAND, 36 INTERSTRAND INTERPROTON DISTANCE REMARK 210 RESTRAINTS; 40 H-BOND RESTRAINTS; 72 TORSION ANGLE RESTRAINTS REMARK 210 (FOR ALPHA, BETA, GAMMA, EPSILON AND ZETA BACKBONE TORSION REMARK 210 ANGLES. (C) INTERMOLECULAR: 75 INTERPROTON DISTANCE RESTRAINTS 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 VAL A 1 REMARK 465 GLN A 2 REMARK 465 PRO A 76 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DT C 2 C5 DT C 2 C7 0.037 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG B 1 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG B 1 C5 - N7 - C8 ANGL. DEV. = -4.1 DEGREES REMARK 500 DG B 1 N7 - C8 - N9 ANGL. DEV. = 7.2 DEGREES REMARK 500 DG B 1 C8 - N9 - C4 ANGL. DEV. = -3.6 DEGREES REMARK 500 DC B 2 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DA B 3 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA B 3 C5 - N7 - C8 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA B 3 N7 - C8 - N9 ANGL. DEV. = 6.2 DEGREES REMARK 500 DA B 3 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES REMARK 500 DC B 4 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DA B 5 O4' - C1' - N9 ANGL. DEV. = 3.7 DEGREES REMARK 500 DA B 5 N1 - C2 - N3 ANGL. DEV. = -3.0 DEGREES REMARK 500 DA B 5 C5 - N7 - C8 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA B 5 N7 - C8 - N9 ANGL. DEV. = 6.2 DEGREES REMARK 500 DA B 5 C8 - N9 - C4 ANGL. DEV. = -3.2 DEGREES REMARK 500 DA B 6 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA B 6 C5 - N7 - C8 ANGL. DEV. = -3.8 DEGREES REMARK 500 DA B 6 N7 - C8 - N9 ANGL. DEV. = 6.4 DEGREES REMARK 500 DA B 6 C8 - N9 - C4 ANGL. DEV. = -3.3 DEGREES REMARK 500 DA B 7 O4' - C1' - N9 ANGL. DEV. = 3.8 DEGREES REMARK 500 DA B 7 C5 - N7 - C8 ANGL. DEV. = -3.9 DEGREES REMARK 500 DA B 7 N7 - C8 - N9 ANGL. DEV. = 6.4 DEGREES REMARK 500 DA B 7 C8 - N9 - C4 ANGL. DEV. = -3.1 DEGREES REMARK 500 DC B 8 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG C 1 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DG C 1 C5 - N7 - C8 ANGL. DEV. = -4.0 DEGREES REMARK 500 DG C 1 N7 - C8 - N9 ANGL. DEV. = 7.0 DEGREES REMARK 500 DG C 1 C8 - N9 - C4 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT C 2 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DT C 3 O4' - C1' - N1 ANGL. DEV. = 1.8 DEGREES REMARK 500 DT C 4 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DG C 5 O4' - C1' - N9 ANGL. DEV. = 3.1 DEGREES REMARK 500 DG C 5 C5 - N7 - C8 ANGL. DEV. = -4.1 DEGREES REMARK 500 DG C 5 N7 - C8 - N9 ANGL. DEV. = 7.1 DEGREES REMARK 500 DG C 5 C8 - N9 - C4 ANGL. DEV. = -3.7 DEGREES REMARK 500 DT C 6 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DG C 7 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG C 7 C5 - N7 - C8 ANGL. DEV. = -4.1 DEGREES REMARK 500 DG C 7 N7 - C8 - N9 ANGL. DEV. = 7.2 DEGREES REMARK 500 DG C 7 C8 - N9 - C4 ANGL. DEV. = -3.7 DEGREES REMARK 500 DC C 8 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 PRO A 8 -173.11 -66.76 REMARK 500 ARG A 17 -77.01 -41.07 REMARK 500 ARG A 31 -74.71 -64.61 REMARK 500 ILE A 35 -15.60 -48.78 REMARK 500 LYS A 51 -78.70 -69.30 REMARK 500 PRO A 53 -76.64 -42.15 REMARK 500 PRO A 70 -70.10 -50.34 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 31 0.10 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1HRZ RELATED DB: PDB REMARK 900 ENSEMBLE OF 35 STRUCTURES DBREF 1HRY A 1 76 UNP Q05066 SRY_HUMAN 56 131 DBREF 1HRY B 1 8 PDB 1HRY 1HRY 1 8 DBREF 1HRY C 1 8 PDB 1HRY 1HRY 1 8 SEQRES 1 B 8 DG DC DA DC DA DA DA DC SEQRES 1 C 8 DG DT DT DT DG DT DG DC SEQRES 1 A 76 VAL GLN ASP ARG VAL LYS ARG PRO MET ASN ALA PHE ILE SEQRES 2 A 76 VAL TRP SER ARG ASP GLN ARG ARG LYS MET ALA LEU GLU SEQRES 3 A 76 ASN PRO ARG MET ARG ASN SER GLU ILE SER LYS GLN LEU SEQRES 4 A 76 GLY TYR GLN TRP LYS MET LEU THR GLU ALA GLU LYS TRP SEQRES 5 A 76 PRO PHE PHE GLN GLU ALA GLN LYS LEU GLN ALA MET HIS SEQRES 6 A 76 ARG GLU LYS TYR PRO ASN TYR LYS TYR ARG PRO HELIX 1 1 ALA A 11 GLU A 26 1 16 HELIX 2 2 GLU A 34 MET A 45 1 12 HELIX 3 3 GLU A 48 LYS A 68 1 21 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 3 DT C7 :methyl -30:sc= -0.126 (180deg=-0.418) USER MOD Set 1.2: C 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 30 MET CE :methyl -162:sc= -0.21 (180deg=-0.611) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 154:sc= 0 (180deg=-0.279) USER MOD Single : A 10 ASN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.26) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.73) USER MOD Single : A 32 ASN : amide:sc= -0.0538 K(o=-0.054,f=-2.2!) USER MOD Single : A 33 SER OG : rot 138:sc= 0.849 USER MOD Single : A 36 SER OG : rot -141:sc= 0.00985 USER MOD Single : A 37 LYS NZ :NH3+ 158:sc= -0.147 (180deg=-1.18) USER MOD Single : A 38 GLN : amide:sc= -0.67 K(o=-0.67,f=-4.2!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0805 X(o=-0.08,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 167:sc= 1.1 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -4.53! C(o=-4.5!,f=-6.5!) USER MOD Single : A 59 GLN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl 172:sc=-0.00521 (180deg=-0.0554) USER MOD Single : A 65 HIS : no HD1:sc= -2.02 K(o=-2,f=-3.4!) USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.356 (180deg=-1.17) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=0.000828 X(o=0.00083,f=-0.35) USER MOD Single : A 72 TYR OH : rot -11:sc= 1.08 USER MOD Single : A 73 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0398) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= -0.174 USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD Single : C 1 DG O5' : rot -63:sc= -0.138! USER MOD Single : C 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 6 DT C7 :methyl -30:sc= 0 (180deg=-0.218) USER MOD Single : C 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG B 1 3.017 7.820 -0.499 1.00 1.08 O ATOM 2 C5' DG B 1 3.931 8.375 0.452 1.00 1.09 C ATOM 3 C4' DG B 1 5.146 7.478 0.664 1.00 0.99 C ATOM 4 O4' DG B 1 4.809 6.383 1.546 1.00 0.94 O ATOM 5 C3' DG B 1 5.672 6.892 -0.649 1.00 0.92 C ATOM 6 O3' DG B 1 6.910 7.495 -1.026 1.00 0.96 O ATOM 7 C2' DG B 1 5.857 5.419 -0.381 1.00 0.82 C ATOM 8 C1' DG B 1 5.249 5.131 0.985 1.00 0.83 C ATOM 9 N9 DG B 1 4.125 4.189 0.850 1.00 0.79 N ATOM 10 C8 DG B 1 2.993 4.289 0.128 1.00 0.82 C ATOM 11 N7 DG B 1 2.140 3.329 0.126 1.00 0.80 N ATOM 12 C5 DG B 1 2.785 2.423 0.981 1.00 0.73 C ATOM 13 C6 DG B 1 2.387 1.121 1.425 1.00 0.68 C ATOM 14 O6 DG B 1 1.365 0.497 1.145 1.00 0.70 O ATOM 15 N1 DG B 1 3.332 0.547 2.284 1.00 0.65 N ATOM 16 C2 DG B 1 4.527 1.138 2.683 1.00 0.68 C ATOM 17 N2 DG B 1 5.299 0.428 3.509 1.00 0.70 N ATOM 18 N3 DG B 1 4.911 2.362 2.272 1.00 0.71 N ATOM 19 C4 DG B 1 4.007 2.948 1.430 1.00 0.73 C ATOM 0 H5' DG B 1 3.419 8.524 1.403 1.00 1.09 H new ATOM 0 H5'' DG B 1 4.260 9.356 0.110 1.00 1.09 H new ATOM 0 H4' DG B 1 5.924 8.104 1.102 1.00 0.99 H new ATOM 0 H3' DG B 1 4.982 7.075 -1.473 1.00 0.92 H new ATOM 0 H2' DG B 1 5.369 4.823 -1.153 1.00 0.82 H new ATOM 0 H2'' DG B 1 6.914 5.155 -0.395 1.00 0.82 H new ATOM 0 HO5' DG B 1 2.251 8.422 -0.607 1.00 1.08 H new ATOM 0 H1' DG B 1 5.985 4.671 1.644 1.00 0.83 H new ATOM 0 H8 DG B 1 2.802 5.180 -0.452 1.00 0.82 H new ATOM 0 H1 DG B 1 3.127 -0.383 2.648 1.00 0.65 H new ATOM 0 H21 DG B 1 6.186 0.812 3.834 1.00 0.70 H new ATOM 0 H22 DG B 1 5.001 -0.498 3.815 1.00 0.70 H new ATOM 32 P DC B 2 7.509 7.253 -2.501 1.00 0.95 P ATOM 33 OP1 DC B 2 8.629 8.199 -2.708 1.00 1.04 O ATOM 34 OP2 DC B 2 6.380 7.226 -3.459 1.00 0.97 O ATOM 35 O5' DC B 2 8.116 5.766 -2.396 1.00 0.84 O ATOM 36 C5' DC B 2 9.479 5.572 -2.011 1.00 0.85 C ATOM 37 C4' DC B 2 9.813 4.090 -1.818 1.00 0.75 C ATOM 38 O4' DC B 2 8.803 3.430 -1.026 1.00 0.73 O ATOM 39 C3' DC B 2 9.922 3.337 -3.149 1.00 0.70 C ATOM 40 O3' DC B 2 11.287 3.079 -3.484 1.00 0.71 O ATOM 41 C2' DC B 2 9.165 2.040 -2.938 1.00 0.66 C ATOM 42 C1' DC B 2 8.584 2.097 -1.529 1.00 0.65 C ATOM 43 N1 DC B 2 7.132 1.767 -1.556 1.00 0.62 N ATOM 44 C2 DC B 2 6.696 0.591 -0.929 1.00 0.57 C ATOM 45 O2 DC B 2 7.491 -0.158 -0.363 1.00 0.58 O ATOM 46 N3 DC B 2 5.365 0.307 -0.971 1.00 0.56 N ATOM 47 C4 DC B 2 4.484 1.116 -1.590 1.00 0.59 C ATOM 48 N4 DC B 2 3.189 0.781 -1.605 1.00 0.59 N ATOM 49 C5 DC B 2 4.918 2.324 -2.235 1.00 0.65 C ATOM 50 C6 DC B 2 6.244 2.606 -2.192 1.00 0.66 C ATOM 0 H5' DC B 2 9.675 6.112 -1.085 1.00 0.85 H new ATOM 0 H5'' DC B 2 10.135 5.996 -2.772 1.00 0.85 H new ATOM 0 H4' DC B 2 10.777 4.068 -1.311 1.00 0.75 H new ATOM 0 H3' DC B 2 9.511 3.919 -3.974 1.00 0.70 H new ATOM 0 H2' DC B 2 8.373 1.929 -3.679 1.00 0.66 H new ATOM 0 H2'' DC B 2 9.828 1.182 -3.049 1.00 0.66 H new ATOM 0 H1' DC B 2 9.068 1.368 -0.879 1.00 0.65 H new ATOM 0 H41 DC B 2 2.511 1.385 -2.070 1.00 0.59 H new ATOM 0 H42 DC B 2 2.879 -0.078 -1.151 1.00 0.59 H new ATOM 0 H5 DC B 2 4.219 2.979 -2.733 1.00 0.65 H new ATOM 0 H6 DC B 2 6.610 3.505 -2.665 1.00 0.66 H new ATOM 62 P DA B 3 11.699 2.708 -4.996 1.00 0.69 P ATOM 63 OP1 DA B 3 13.171 2.808 -5.111 1.00 0.80 O ATOM 64 OP2 DA B 3 10.832 3.478 -5.914 1.00 0.76 O ATOM 65 O5' DA B 3 11.291 1.154 -5.103 1.00 0.55 O ATOM 66 C5' DA B 3 12.268 0.132 -4.886 1.00 0.56 C ATOM 67 C4' DA B 3 11.812 -1.219 -5.442 1.00 0.51 C ATOM 68 O4' DA B 3 10.677 -1.717 -4.701 1.00 0.45 O ATOM 69 C3' DA B 3 11.414 -1.132 -6.919 1.00 0.52 C ATOM 70 O3' DA B 3 12.381 -1.784 -7.749 1.00 0.59 O ATOM 71 C2' DA B 3 10.073 -1.820 -7.020 1.00 0.45 C ATOM 72 C1' DA B 3 9.643 -2.165 -5.603 1.00 0.42 C ATOM 73 N9 DA B 3 8.358 -1.525 -5.288 1.00 0.40 N ATOM 74 C8 DA B 3 8.001 -0.227 -5.325 1.00 0.42 C ATOM 75 N7 DA B 3 6.803 0.120 -5.015 1.00 0.41 N ATOM 76 C5 DA B 3 6.253 -1.135 -4.721 1.00 0.38 C ATOM 77 C6 DA B 3 4.974 -1.562 -4.306 1.00 0.37 C ATOM 78 N6 DA B 3 3.953 -0.727 -4.108 1.00 0.38 N ATOM 79 N1 DA B 3 4.782 -2.892 -4.107 1.00 0.37 N ATOM 80 C2 DA B 3 5.775 -3.771 -4.300 1.00 0.37 C ATOM 81 N3 DA B 3 7.023 -3.484 -4.691 1.00 0.37 N ATOM 82 C4 DA B 3 7.201 -2.144 -4.886 1.00 0.37 C ATOM 0 H5' DA B 3 12.464 0.038 -3.818 1.00 0.56 H new ATOM 0 H5'' DA B 3 13.207 0.421 -5.358 1.00 0.56 H new ATOM 0 H4' DA B 3 12.662 -1.895 -5.343 1.00 0.51 H new ATOM 0 H3' DA B 3 11.363 -0.097 -7.258 1.00 0.52 H new ATOM 0 H2' DA B 3 9.341 -1.169 -7.498 1.00 0.45 H new ATOM 0 H2'' DA B 3 10.146 -2.720 -7.631 1.00 0.45 H new ATOM 0 H1' DA B 3 9.505 -3.241 -5.500 1.00 0.42 H new ATOM 0 H8 DA B 3 8.722 0.523 -5.615 1.00 0.42 H new ATOM 0 H61 DA B 3 3.048 -1.090 -3.808 1.00 0.38 H new ATOM 0 H62 DA B 3 4.077 0.274 -4.257 1.00 0.38 H new ATOM 0 H2 DA B 3 5.546 -4.812 -4.123 1.00 0.37 H new ATOM 94 P DC B 4 12.300 -1.658 -9.353 1.00 0.66 P ATOM 95 OP1 DC B 4 13.613 -2.049 -9.914 1.00 0.78 O ATOM 96 OP2 DC B 4 11.721 -0.336 -9.684 1.00 0.70 O ATOM 97 O5' DC B 4 11.225 -2.792 -9.748 1.00 0.59 O ATOM 98 C5' DC B 4 11.529 -4.176 -9.560 1.00 0.61 C ATOM 99 C4' DC B 4 10.345 -5.074 -9.936 1.00 0.53 C ATOM 100 O4' DC B 4 9.261 -4.911 -8.997 1.00 0.51 O ATOM 101 C3' DC B 4 9.803 -4.765 -11.338 1.00 0.49 C ATOM 102 O3' DC B 4 10.170 -5.784 -12.273 1.00 0.52 O ATOM 103 C2' DC B 4 8.300 -4.702 -11.181 1.00 0.45 C ATOM 104 C1' DC B 4 7.999 -4.869 -9.696 1.00 0.45 C ATOM 105 N1 DC B 4 7.172 -3.731 -9.215 1.00 0.41 N ATOM 106 C2 DC B 4 5.833 -3.968 -8.878 1.00 0.39 C ATOM 107 O2 DC B 4 5.350 -5.096 -8.966 1.00 0.42 O ATOM 108 N3 DC B 4 5.089 -2.907 -8.457 1.00 0.37 N ATOM 109 C4 DC B 4 5.607 -1.668 -8.358 1.00 0.39 C ATOM 110 N4 DC B 4 4.818 -0.668 -7.945 1.00 0.39 N ATOM 111 C5 DC B 4 6.984 -1.414 -8.698 1.00 0.43 C ATOM 112 C6 DC B 4 7.721 -2.473 -9.121 1.00 0.43 C ATOM 0 H5' DC B 4 11.801 -4.350 -8.519 1.00 0.61 H new ATOM 0 H5'' DC B 4 12.395 -4.444 -10.165 1.00 0.61 H new ATOM 0 H4' DC B 4 10.722 -6.097 -9.916 1.00 0.53 H new ATOM 0 H3' DC B 4 10.213 -3.833 -11.727 1.00 0.49 H new ATOM 0 H2' DC B 4 7.914 -3.751 -11.548 1.00 0.45 H new ATOM 0 H2'' DC B 4 7.818 -5.488 -11.763 1.00 0.45 H new ATOM 0 H1' DC B 4 7.440 -5.787 -9.516 1.00 0.45 H new ATOM 0 H41 DC B 4 5.193 0.277 -7.864 1.00 0.39 H new ATOM 0 H42 DC B 4 3.842 -0.851 -7.712 1.00 0.39 H new ATOM 0 H5 DC B 4 7.411 -0.425 -8.620 1.00 0.43 H new ATOM 0 H6 DC B 4 8.757 -2.325 -9.388 1.00 0.43 H new ATOM 124 P DA B 5 10.091 -5.504 -13.860 1.00 0.54 P ATOM 125 OP1 DA B 5 11.082 -6.376 -14.531 1.00 0.64 O ATOM 126 OP2 DA B 5 10.133 -4.040 -14.073 1.00 0.60 O ATOM 127 O5' DA B 5 8.616 -6.028 -14.248 1.00 0.48 O ATOM 128 C5' DA B 5 8.339 -7.430 -14.307 1.00 0.51 C ATOM 129 C4' DA B 5 6.834 -7.719 -14.324 1.00 0.47 C ATOM 130 O4' DA B 5 6.161 -6.870 -13.358 1.00 0.45 O ATOM 131 C3' DA B 5 6.197 -7.437 -15.697 1.00 0.42 C ATOM 132 O3' DA B 5 7.160 -7.368 -16.760 1.00 0.45 O ATOM 133 C2' DA B 5 5.429 -6.152 -15.506 1.00 0.39 C ATOM 134 C1' DA B 5 5.165 -6.060 -14.019 1.00 0.39 C ATOM 135 N9 DA B 5 5.199 -4.659 -13.559 1.00 0.37 N ATOM 136 C8 DA B 5 6.207 -3.765 -13.534 1.00 0.39 C ATOM 137 N7 DA B 5 6.001 -2.574 -13.087 1.00 0.39 N ATOM 138 C5 DA B 5 4.640 -2.668 -12.756 1.00 0.35 C ATOM 139 C6 DA B 5 3.702 -1.759 -12.209 1.00 0.34 C ATOM 140 N6 DA B 5 4.004 -0.501 -11.876 1.00 0.36 N ATOM 141 N1 DA B 5 2.430 -2.199 -12.016 1.00 0.34 N ATOM 142 C2 DA B 5 2.078 -3.455 -12.336 1.00 0.36 C ATOM 143 N3 DA B 5 2.878 -4.394 -12.855 1.00 0.36 N ATOM 144 C4 DA B 5 4.148 -3.941 -13.043 1.00 0.35 C ATOM 0 H5' DA B 5 8.793 -7.925 -13.449 1.00 0.51 H new ATOM 0 H5'' DA B 5 8.799 -7.853 -15.200 1.00 0.51 H new ATOM 0 H4' DA B 5 6.718 -8.776 -14.086 1.00 0.47 H new ATOM 0 H3' DA B 5 5.544 -8.250 -16.013 1.00 0.42 H new ATOM 0 H2' DA B 5 6.004 -5.295 -15.857 1.00 0.39 H new ATOM 0 H2'' DA B 5 4.497 -6.164 -16.071 1.00 0.39 H new ATOM 0 H1' DA B 5 4.168 -6.429 -13.779 1.00 0.39 H new ATOM 0 H8 DA B 5 7.187 -4.047 -13.889 1.00 0.39 H new ATOM 0 H61 DA B 5 3.286 0.109 -11.485 1.00 0.36 H new ATOM 0 H62 DA B 5 4.952 -0.151 -12.012 1.00 0.36 H new ATOM 0 H2 DA B 5 1.050 -3.734 -12.157 1.00 0.36 H new ATOM 156 P DA B 6 6.874 -6.508 -18.095 1.00 0.43 P ATOM 157 OP1 DA B 6 7.495 -7.217 -19.237 1.00 0.49 O ATOM 158 OP2 DA B 6 7.226 -5.094 -17.834 1.00 0.45 O ATOM 159 O5' DA B 6 5.274 -6.618 -18.250 1.00 0.37 O ATOM 160 C5' DA B 6 4.653 -7.771 -18.822 1.00 0.39 C ATOM 161 C4' DA B 6 3.370 -7.393 -19.574 1.00 0.37 C ATOM 162 O4' DA B 6 2.512 -6.597 -18.726 1.00 0.36 O ATOM 163 C3' DA B 6 3.663 -6.591 -20.848 1.00 0.37 C ATOM 164 O3' DA B 6 3.260 -7.320 -22.008 1.00 0.40 O ATOM 165 C2' DA B 6 2.874 -5.305 -20.717 1.00 0.37 C ATOM 166 C1' DA B 6 2.213 -5.328 -19.343 1.00 0.35 C ATOM 167 N9 DA B 6 2.711 -4.219 -18.505 1.00 0.33 N ATOM 168 C8 DA B 6 3.973 -3.822 -18.244 1.00 0.34 C ATOM 169 N7 DA B 6 4.189 -2.828 -17.461 1.00 0.33 N ATOM 170 C5 DA B 6 2.872 -2.484 -17.132 1.00 0.31 C ATOM 171 C6 DA B 6 2.311 -1.483 -16.311 1.00 0.31 C ATOM 172 N6 DA B 6 3.044 -0.604 -15.633 1.00 0.33 N ATOM 173 N1 DA B 6 0.957 -1.424 -16.210 1.00 0.32 N ATOM 174 C2 DA B 6 0.179 -2.294 -16.872 1.00 0.33 C ATOM 175 N3 DA B 6 0.599 -3.284 -17.676 1.00 0.32 N ATOM 176 C4 DA B 6 1.960 -3.329 -17.766 1.00 0.31 C ATOM 0 H5' DA B 6 4.419 -8.489 -18.036 1.00 0.39 H new ATOM 0 H5'' DA B 6 5.347 -8.261 -19.505 1.00 0.39 H new ATOM 0 H4' DA B 6 2.881 -8.327 -19.852 1.00 0.37 H new ATOM 0 H3' DA B 6 4.729 -6.393 -20.960 1.00 0.37 H new ATOM 0 H2' DA B 6 3.528 -4.439 -20.816 1.00 0.37 H new ATOM 0 H2'' DA B 6 2.124 -5.230 -21.505 1.00 0.37 H new ATOM 0 H1' DA B 6 1.135 -5.203 -19.447 1.00 0.35 H new ATOM 0 H8 DA B 6 4.805 -4.342 -18.695 1.00 0.34 H new ATOM 0 H61 DA B 6 2.588 0.101 -15.053 1.00 0.33 H new ATOM 0 H62 DA B 6 4.062 -0.635 -15.693 1.00 0.33 H new ATOM 0 H2 DA B 6 -0.888 -2.188 -16.746 1.00 0.33 H new ATOM 188 P DA B 7 3.682 -6.812 -23.476 1.00 0.45 P ATOM 189 OP1 DA B 7 3.577 -7.955 -24.410 1.00 0.53 O ATOM 190 OP2 DA B 7 4.954 -6.065 -23.362 1.00 0.48 O ATOM 191 O5' DA B 7 2.513 -5.766 -23.829 1.00 0.41 O ATOM 192 C5' DA B 7 1.148 -6.180 -23.814 1.00 0.41 C ATOM 193 C4' DA B 7 0.199 -4.986 -23.884 1.00 0.41 C ATOM 194 O4' DA B 7 0.218 -4.240 -22.643 1.00 0.39 O ATOM 195 C3' DA B 7 0.559 -4.019 -25.022 1.00 0.43 C ATOM 196 O3' DA B 7 -0.384 -4.133 -26.103 1.00 0.49 O ATOM 197 C2' DA B 7 0.515 -2.646 -24.394 1.00 0.48 C ATOM 198 C1' DA B 7 0.179 -2.827 -22.922 1.00 0.41 C ATOM 199 N9 DA B 7 1.141 -2.076 -22.103 1.00 0.37 N ATOM 200 C8 DA B 7 2.472 -2.215 -22.003 1.00 0.39 C ATOM 201 N7 DA B 7 3.150 -1.418 -21.259 1.00 0.37 N ATOM 202 C5 DA B 7 2.120 -0.603 -20.772 1.00 0.34 C ATOM 203 C6 DA B 7 2.095 0.503 -19.898 1.00 0.34 C ATOM 204 N6 DA B 7 3.189 1.001 -19.330 1.00 0.37 N ATOM 205 N1 DA B 7 0.892 1.082 -19.629 1.00 0.32 N ATOM 206 C2 DA B 7 -0.235 0.609 -20.184 1.00 0.31 C ATOM 207 N3 DA B 7 -0.332 -0.433 -21.026 1.00 0.33 N ATOM 208 C4 DA B 7 0.886 -0.998 -21.283 1.00 0.33 C ATOM 0 H5' DA B 7 0.950 -6.750 -22.907 1.00 0.41 H new ATOM 0 H5'' DA B 7 0.960 -6.846 -24.656 1.00 0.41 H new ATOM 0 H4' DA B 7 -0.792 -5.400 -24.069 1.00 0.41 H new ATOM 0 H3' DA B 7 1.537 -4.232 -25.454 1.00 0.43 H new ATOM 0 H2' DA B 7 1.474 -2.141 -24.509 1.00 0.48 H new ATOM 0 H2'' DA B 7 -0.234 -2.024 -24.884 1.00 0.48 H new ATOM 0 H1' DA B 7 -0.812 -2.442 -22.684 1.00 0.41 H new ATOM 0 H8 DA B 7 2.974 -2.999 -22.550 1.00 0.39 H new ATOM 0 H61 DA B 7 3.119 1.803 -18.704 1.00 0.37 H new ATOM 0 H62 DA B 7 4.099 0.581 -19.520 1.00 0.37 H new ATOM 0 H2 DA B 7 -1.154 1.116 -19.928 1.00 0.31 H new ATOM 220 P DC B 8 -0.136 -3.419 -27.537 1.00 0.54 P ATOM 221 OP1 DC B 8 -0.910 -4.161 -28.557 1.00 0.65 O ATOM 222 OP2 DC B 8 1.322 -3.235 -27.711 1.00 0.59 O ATOM 223 O5' DC B 8 -0.808 -1.957 -27.360 1.00 0.51 O ATOM 224 C5' DC B 8 -2.071 -1.621 -27.962 1.00 0.59 C ATOM 225 C4' DC B 8 -2.764 -0.451 -27.220 1.00 0.52 C ATOM 226 O4' DC B 8 -2.317 -0.344 -25.847 1.00 0.47 O ATOM 227 C3' DC B 8 -2.498 0.900 -27.874 1.00 0.53 C ATOM 228 O3' DC B 8 -3.553 1.250 -28.774 1.00 0.60 O ATOM 229 C2' DC B 8 -2.404 1.879 -26.728 1.00 0.48 C ATOM 230 C1' DC B 8 -2.162 1.048 -25.476 1.00 0.44 C ATOM 231 N1 DC B 8 -0.800 1.295 -24.945 1.00 0.41 N ATOM 232 C2 DC B 8 -0.624 2.350 -24.053 1.00 0.40 C ATOM 233 O2 DC B 8 -1.573 3.066 -23.737 1.00 0.42 O ATOM 234 N3 DC B 8 0.628 2.547 -23.548 1.00 0.40 N ATOM 235 C4 DC B 8 1.667 1.756 -23.887 1.00 0.41 C ATOM 236 N4 DC B 8 2.874 1.985 -23.350 1.00 0.43 N ATOM 237 C5 DC B 8 1.486 0.667 -24.812 1.00 0.43 C ATOM 238 C6 DC B 8 0.244 0.484 -25.310 1.00 0.43 C ATOM 0 H5' DC B 8 -2.723 -2.495 -27.953 1.00 0.59 H new ATOM 0 H5'' DC B 8 -1.916 -1.349 -29.006 1.00 0.59 H new ATOM 0 H4' DC B 8 -3.828 -0.685 -27.266 1.00 0.52 H new ATOM 0 H3' DC B 8 -1.587 0.893 -28.473 1.00 0.53 H new ATOM 0 H2' DC B 8 -1.591 2.588 -26.888 1.00 0.48 H new ATOM 0 H2'' DC B 8 -3.321 2.461 -26.637 1.00 0.48 H new ATOM 0 HO3' DC B 8 -3.361 2.121 -29.180 1.00 0.60 H new ATOM 0 H1' DC B 8 -2.871 1.318 -24.693 1.00 0.44 H new ATOM 0 H41 DC B 8 3.665 1.392 -23.601 1.00 0.43 H new ATOM 0 H42 DC B 8 3.001 2.753 -22.691 1.00 0.43 H new ATOM 0 H5 DC B 8 2.307 0.025 -25.095 1.00 0.43 H new ATOM 0 H6 DC B 8 0.069 -0.319 -26.011 1.00 0.43 H new TER 251 DC B 8 ATOM 252 O5' DG C 1 4.464 11.348 -18.644 1.00 0.74 O ATOM 253 C5' DG C 1 3.797 12.404 -19.341 1.00 0.75 C ATOM 254 C4' DG C 1 2.344 12.046 -19.645 1.00 0.69 C ATOM 255 O4' DG C 1 2.283 11.059 -20.704 1.00 0.65 O ATOM 256 C3' DG C 1 1.654 11.453 -18.412 1.00 0.64 C ATOM 257 O3' DG C 1 2.360 11.779 -17.190 1.00 0.65 O ATOM 258 C2' DG C 1 1.568 9.966 -18.704 1.00 0.59 C ATOM 259 C1' DG C 1 1.724 9.824 -20.207 1.00 0.60 C ATOM 260 N9 DG C 1 2.592 8.677 -20.527 1.00 0.58 N ATOM 261 C8 DG C 1 3.918 8.505 -20.343 1.00 0.60 C ATOM 262 N7 DG C 1 4.481 7.404 -20.695 1.00 0.59 N ATOM 263 C5 DG C 1 3.374 6.707 -21.199 1.00 0.54 C ATOM 264 C6 DG C 1 3.278 5.395 -21.769 1.00 0.51 C ATOM 265 O6 DG C 1 4.170 4.564 -21.940 1.00 0.52 O ATOM 266 N1 DG C 1 1.970 5.085 -22.156 1.00 0.48 N ATOM 267 C2 DG C 1 0.867 5.916 -22.017 1.00 0.48 C ATOM 268 N2 DG C 1 -0.297 5.434 -22.455 1.00 0.47 N ATOM 269 N3 DG C 1 0.941 7.150 -21.483 1.00 0.51 N ATOM 270 C4 DG C 1 2.209 7.486 -21.097 1.00 0.53 C ATOM 0 H5' DG C 1 4.323 12.615 -20.272 1.00 0.75 H new ATOM 0 H5'' DG C 1 3.831 13.314 -18.742 1.00 0.75 H new ATOM 0 H4' DG C 1 1.839 12.964 -19.945 1.00 0.69 H new ATOM 0 H3' DG C 1 0.661 11.867 -18.239 1.00 0.64 H new ATOM 0 H2' DG C 1 2.350 9.419 -18.177 1.00 0.59 H new ATOM 0 H2'' DG C 1 0.614 9.558 -18.371 1.00 0.59 H new ATOM 0 HO5' DG C 1 4.037 11.210 -17.773 1.00 0.74 H new ATOM 0 H1' DG C 1 0.760 9.636 -20.680 1.00 0.60 H new ATOM 0 H8 DG C 1 4.507 9.294 -19.899 1.00 0.60 H new ATOM 0 H1 DG C 1 1.813 4.169 -22.577 1.00 0.48 H new ATOM 0 H21 DG C 1 -1.143 5.998 -22.380 1.00 0.47 H new ATOM 0 H22 DG C 1 -0.341 4.501 -22.865 1.00 0.47 H new ATOM 283 P DT C 2 2.697 10.704 -16.024 1.00 0.63 P ATOM 284 OP1 DT C 2 2.682 11.416 -14.727 1.00 0.67 O ATOM 285 OP2 DT C 2 3.903 9.949 -16.433 1.00 0.64 O ATOM 286 O5' DT C 2 1.440 9.696 -16.055 1.00 0.57 O ATOM 287 C5' DT C 2 0.129 10.133 -15.699 1.00 0.58 C ATOM 288 C4' DT C 2 -0.880 8.981 -15.765 1.00 0.54 C ATOM 289 O4' DT C 2 -0.683 8.175 -16.950 1.00 0.50 O ATOM 290 C3' DT C 2 -0.771 8.052 -14.557 1.00 0.54 C ATOM 291 O3' DT C 2 -1.781 8.344 -13.591 1.00 0.57 O ATOM 292 C2' DT C 2 -0.931 6.652 -15.116 1.00 0.51 C ATOM 293 C1' DT C 2 -0.861 6.775 -16.637 1.00 0.47 C ATOM 294 N1 DT C 2 0.274 5.964 -17.163 1.00 0.44 N ATOM 295 C2 DT C 2 -0.012 4.740 -17.778 1.00 0.39 C ATOM 296 O2 DT C 2 -1.160 4.321 -17.917 1.00 0.38 O ATOM 297 N3 DT C 2 1.089 4.019 -18.223 1.00 0.38 N ATOM 298 C4 DT C 2 2.425 4.406 -18.112 1.00 0.43 C ATOM 299 O4 DT C 2 3.320 3.687 -18.546 1.00 0.44 O ATOM 300 C5 DT C 2 2.628 5.690 -17.464 1.00 0.48 C ATOM 301 C7 DT C 2 4.056 6.219 -17.287 1.00 0.57 C ATOM 302 C6 DT C 2 1.568 6.413 -17.019 1.00 0.48 C ATOM 0 H5' DT C 2 -0.185 10.933 -16.370 1.00 0.58 H new ATOM 0 H5'' DT C 2 0.143 10.549 -14.692 1.00 0.58 H new ATOM 0 H4' DT C 2 -1.863 9.451 -15.782 1.00 0.54 H new ATOM 0 H3' DT C 2 0.180 8.171 -14.038 1.00 0.54 H new ATOM 0 H2' DT C 2 -0.145 5.995 -14.744 1.00 0.51 H new ATOM 0 H2'' DT C 2 -1.882 6.218 -14.806 1.00 0.51 H new ATOM 0 H1' DT C 2 -1.774 6.401 -17.101 1.00 0.47 H new ATOM 0 H3 DT C 2 0.903 3.123 -18.673 1.00 0.38 H new ATOM 0 H71 DT C 2 4.045 7.309 -17.304 1.00 0.57 H new ATOM 0 H72 DT C 2 4.456 5.875 -16.333 1.00 0.57 H new ATOM 0 H73 DT C 2 4.684 5.850 -18.098 1.00 0.57 H new ATOM 0 H6 DT C 2 1.744 7.365 -16.540 1.00 0.48 H new ATOM 315 P DT C 3 -1.701 7.701 -12.119 1.00 0.58 P ATOM 316 OP1 DT C 3 -2.415 8.597 -11.182 1.00 0.70 O ATOM 317 OP2 DT C 3 -0.294 7.322 -11.854 1.00 0.61 O ATOM 318 O5' DT C 3 -2.564 6.356 -12.289 1.00 0.50 O ATOM 319 C5' DT C 3 -3.862 6.409 -12.879 1.00 0.47 C ATOM 320 C4' DT C 3 -4.373 5.017 -13.252 1.00 0.40 C ATOM 321 O4' DT C 3 -3.613 4.447 -14.337 1.00 0.38 O ATOM 322 C3' DT C 3 -4.303 4.047 -12.076 1.00 0.40 C ATOM 323 O3' DT C 3 -5.580 3.937 -11.432 1.00 0.44 O ATOM 324 C2' DT C 3 -3.872 2.728 -12.683 1.00 0.37 C ATOM 325 C1' DT C 3 -3.383 3.039 -14.097 1.00 0.35 C ATOM 326 N1 DT C 3 -1.935 2.729 -14.221 1.00 0.34 N ATOM 327 C2 DT C 3 -1.553 1.577 -14.917 1.00 0.32 C ATOM 328 O2 DT C 3 -2.368 0.816 -15.436 1.00 0.33 O ATOM 329 N3 DT C 3 -0.185 1.345 -14.987 1.00 0.33 N ATOM 330 C4 DT C 3 0.815 2.146 -14.434 1.00 0.37 C ATOM 331 O4 DT C 3 1.998 1.842 -14.560 1.00 0.40 O ATOM 332 C5 DT C 3 0.327 3.319 -13.729 1.00 0.40 C ATOM 333 C7 DT C 3 1.334 4.269 -13.073 1.00 0.49 C ATOM 334 C6 DT C 3 -1.008 3.568 -13.647 1.00 0.38 C ATOM 0 H5' DT C 3 -3.831 7.036 -13.770 1.00 0.47 H new ATOM 0 H5'' DT C 3 -4.558 6.878 -12.184 1.00 0.47 H new ATOM 0 H4' DT C 3 -5.412 5.155 -13.552 1.00 0.40 H new ATOM 0 H3' DT C 3 -3.608 4.380 -11.305 1.00 0.40 H new ATOM 0 H2' DT C 3 -3.080 2.269 -12.091 1.00 0.37 H new ATOM 0 H2'' DT C 3 -4.702 2.022 -12.706 1.00 0.37 H new ATOM 0 H1' DT C 3 -3.918 2.433 -14.828 1.00 0.35 H new ATOM 0 H3 DT C 3 0.117 0.511 -15.490 1.00 0.33 H new ATOM 0 H71 DT C 3 2.216 3.708 -12.764 1.00 0.49 H new ATOM 0 H72 DT C 3 1.626 5.039 -13.787 1.00 0.49 H new ATOM 0 H73 DT C 3 0.878 4.737 -12.201 1.00 0.49 H new ATOM 0 H6 DT C 3 -1.348 4.446 -13.118 1.00 0.38 H new ATOM 347 P DT C 4 -5.718 3.991 -9.825 1.00 0.49 P ATOM 348 OP1 DT C 4 -7.094 4.428 -9.497 1.00 0.62 O ATOM 349 OP2 DT C 4 -4.561 4.725 -9.266 1.00 0.57 O ATOM 350 O5' DT C 4 -5.577 2.442 -9.422 1.00 0.41 O ATOM 351 C5' DT C 4 -6.491 1.482 -9.954 1.00 0.40 C ATOM 352 C4' DT C 4 -5.870 0.087 -10.029 1.00 0.36 C ATOM 353 O4' DT C 4 -4.683 0.086 -10.849 1.00 0.36 O ATOM 354 C3' DT C 4 -5.482 -0.451 -8.649 1.00 0.36 C ATOM 355 O3' DT C 4 -6.406 -1.458 -8.226 1.00 0.41 O ATOM 356 C2' DT C 4 -4.088 -1.028 -8.822 1.00 0.35 C ATOM 357 C1' DT C 4 -3.707 -0.812 -10.284 1.00 0.35 C ATOM 358 N1 DT C 4 -2.328 -0.249 -10.402 1.00 0.34 N ATOM 359 C2 DT C 4 -1.348 -1.019 -11.040 1.00 0.34 C ATOM 360 O2 DT C 4 -1.573 -2.137 -11.493 1.00 0.37 O ATOM 361 N3 DT C 4 -0.090 -0.443 -11.126 1.00 0.34 N ATOM 362 C4 DT C 4 0.283 0.805 -10.646 1.00 0.35 C ATOM 363 O4 DT C 4 1.443 1.200 -10.787 1.00 0.37 O ATOM 364 C5 DT C 4 -0.789 1.542 -9.996 1.00 0.37 C ATOM 365 C7 DT C 4 -0.496 2.930 -9.418 1.00 0.43 C ATOM 366 C6 DT C 4 -2.037 1.002 -9.895 1.00 0.35 C ATOM 0 H5' DT C 4 -6.806 1.793 -10.950 1.00 0.40 H new ATOM 0 H5'' DT C 4 -7.386 1.449 -9.332 1.00 0.40 H new ATOM 0 H4' DT C 4 -6.636 -0.554 -10.466 1.00 0.36 H new ATOM 0 H3' DT C 4 -5.502 0.326 -7.885 1.00 0.36 H new ATOM 0 H2' DT C 4 -3.378 -0.533 -8.159 1.00 0.35 H new ATOM 0 H2'' DT C 4 -4.073 -2.088 -8.570 1.00 0.35 H new ATOM 0 H1' DT C 4 -3.703 -1.760 -10.822 1.00 0.35 H new ATOM 0 H3 DT C 4 0.635 -0.992 -11.589 1.00 0.34 H new ATOM 0 H71 DT C 4 -1.398 3.540 -9.462 1.00 0.43 H new ATOM 0 H72 DT C 4 -0.175 2.832 -8.381 1.00 0.43 H new ATOM 0 H73 DT C 4 0.294 3.407 -9.999 1.00 0.43 H new ATOM 0 H6 DT C 4 -2.817 1.567 -9.406 1.00 0.35 H new ATOM 379 P DG C 5 -6.619 -1.788 -6.664 1.00 0.46 P ATOM 380 OP1 DG C 5 -8.053 -2.088 -6.447 1.00 0.60 O ATOM 381 OP2 DG C 5 -5.957 -0.733 -5.864 1.00 0.49 O ATOM 382 O5' DG C 5 -5.788 -3.153 -6.481 1.00 0.43 O ATOM 383 C5' DG C 5 -6.074 -4.295 -7.292 1.00 0.41 C ATOM 384 C4' DG C 5 -5.049 -5.411 -7.065 1.00 0.39 C ATOM 385 O4' DG C 5 -3.803 -5.091 -7.729 1.00 0.38 O ATOM 386 C3' DG C 5 -4.754 -5.624 -5.573 1.00 0.39 C ATOM 387 O3' DG C 5 -5.051 -6.964 -5.173 1.00 0.44 O ATOM 388 C2' DG C 5 -3.282 -5.338 -5.406 1.00 0.38 C ATOM 389 C1' DG C 5 -2.703 -5.148 -6.797 1.00 0.36 C ATOM 390 N9 DG C 5 -1.886 -3.920 -6.852 1.00 0.35 N ATOM 391 C8 DG C 5 -2.216 -2.639 -6.592 1.00 0.36 C ATOM 392 N7 DG C 5 -1.328 -1.711 -6.676 1.00 0.37 N ATOM 393 C5 DG C 5 -0.211 -2.470 -7.055 1.00 0.36 C ATOM 394 C6 DG C 5 1.142 -2.072 -7.327 1.00 0.37 C ATOM 395 O6 DG C 5 1.636 -0.943 -7.285 1.00 0.39 O ATOM 396 N1 DG C 5 1.949 -3.162 -7.678 1.00 0.37 N ATOM 397 C2 DG C 5 1.529 -4.484 -7.763 1.00 0.37 C ATOM 398 N2 DG C 5 2.451 -5.380 -8.114 1.00 0.38 N ATOM 399 N3 DG C 5 0.264 -4.871 -7.511 1.00 0.36 N ATOM 400 C4 DG C 5 -0.550 -3.830 -7.166 1.00 0.35 C ATOM 0 H5' DG C 5 -6.073 -4.006 -8.343 1.00 0.41 H new ATOM 0 H5'' DG C 5 -7.074 -4.665 -7.063 1.00 0.41 H new ATOM 0 H4' DG C 5 -5.481 -6.324 -7.476 1.00 0.39 H new ATOM 0 H3' DG C 5 -5.369 -4.973 -4.952 1.00 0.39 H new ATOM 0 H2' DG C 5 -3.130 -4.445 -4.800 1.00 0.38 H new ATOM 0 H2'' DG C 5 -2.786 -6.161 -4.891 1.00 0.38 H new ATOM 0 H1' DG C 5 -2.046 -5.979 -7.056 1.00 0.36 H new ATOM 0 H8 DG C 5 -3.229 -2.391 -6.312 1.00 0.36 H new ATOM 0 H1 DG C 5 2.928 -2.969 -7.889 1.00 0.37 H new ATOM 0 H21 DG C 5 2.200 -6.366 -8.193 1.00 0.38 H new ATOM 0 H22 DG C 5 3.407 -5.080 -8.304 1.00 0.38 H new ATOM 412 P DT C 6 -5.131 -7.342 -3.608 1.00 0.48 P ATOM 413 OP1 DT C 6 -5.931 -8.579 -3.471 1.00 0.57 O ATOM 414 OP2 DT C 6 -5.516 -6.126 -2.859 1.00 0.51 O ATOM 415 O5' DT C 6 -3.600 -7.690 -3.246 1.00 0.45 O ATOM 416 C5' DT C 6 -2.977 -8.859 -3.783 1.00 0.47 C ATOM 417 C4' DT C 6 -1.477 -8.895 -3.476 1.00 0.45 C ATOM 418 O4' DT C 6 -0.782 -7.848 -4.189 1.00 0.41 O ATOM 419 C3' DT C 6 -1.177 -8.707 -1.981 1.00 0.46 C ATOM 420 O3' DT C 6 -0.867 -9.948 -1.334 1.00 0.54 O ATOM 421 C2' DT C 6 0.014 -7.775 -1.937 1.00 0.45 C ATOM 422 C1' DT C 6 0.308 -7.365 -3.379 1.00 0.41 C ATOM 423 N1 DT C 6 0.459 -5.880 -3.468 1.00 0.39 N ATOM 424 C2 DT C 6 1.711 -5.366 -3.819 1.00 0.38 C ATOM 425 O2 DT C 6 2.671 -6.081 -4.100 1.00 0.40 O ATOM 426 N3 DT C 6 1.810 -3.986 -3.830 1.00 0.38 N ATOM 427 C4 DT C 6 0.802 -3.080 -3.532 1.00 0.39 C ATOM 428 O4 DT C 6 1.021 -1.870 -3.578 1.00 0.40 O ATOM 429 C5 DT C 6 -0.466 -3.688 -3.177 1.00 0.40 C ATOM 430 C7 DT C 6 -1.634 -2.790 -2.775 1.00 0.43 C ATOM 431 C6 DT C 6 -0.601 -5.042 -3.162 1.00 0.39 C ATOM 0 H5' DT C 6 -3.128 -8.888 -4.862 1.00 0.47 H new ATOM 0 H5'' DT C 6 -3.454 -9.748 -3.370 1.00 0.47 H new ATOM 0 H4' DT C 6 -1.134 -9.880 -3.792 1.00 0.45 H new ATOM 0 H3' DT C 6 -2.043 -8.308 -1.453 1.00 0.46 H new ATOM 0 H2' DT C 6 -0.202 -6.901 -1.323 1.00 0.45 H new ATOM 0 H2'' DT C 6 0.877 -8.271 -1.493 1.00 0.45 H new ATOM 0 H1' DT C 6 1.244 -7.795 -3.735 1.00 0.41 H new ATOM 0 H3 DT C 6 2.717 -3.594 -4.083 1.00 0.38 H new ATOM 0 H71 DT C 6 -1.251 -1.883 -2.307 1.00 0.43 H new ATOM 0 H72 DT C 6 -2.211 -2.526 -3.661 1.00 0.43 H new ATOM 0 H73 DT C 6 -2.274 -3.320 -2.069 1.00 0.43 H new ATOM 0 H6 DT C 6 -1.557 -5.474 -2.905 1.00 0.39 H new ATOM 444 P DG C 7 -1.127 -10.141 0.252 1.00 0.60 P ATOM 445 OP1 DG C 7 -1.126 -11.593 0.541 1.00 0.70 O ATOM 446 OP2 DG C 7 -2.294 -9.317 0.635 1.00 0.64 O ATOM 447 O5' DG C 7 0.193 -9.497 0.933 1.00 0.56 O ATOM 448 C5' DG C 7 1.456 -10.141 0.762 1.00 0.62 C ATOM 449 C4' DG C 7 2.627 -9.432 1.469 1.00 0.59 C ATOM 450 O4' DG C 7 3.154 -8.382 0.633 1.00 0.54 O ATOM 451 C3' DG C 7 2.254 -8.828 2.821 1.00 0.62 C ATOM 452 O3' DG C 7 2.785 -9.617 3.890 1.00 0.73 O ATOM 453 C2' DG C 7 2.875 -7.451 2.820 1.00 0.56 C ATOM 454 C1' DG C 7 3.386 -7.193 1.407 1.00 0.49 C ATOM 455 N9 DG C 7 2.687 -6.045 0.810 1.00 0.45 N ATOM 456 C8 DG C 7 1.380 -5.876 0.535 1.00 0.47 C ATOM 457 N7 DG C 7 0.965 -4.778 0.013 1.00 0.47 N ATOM 458 C5 DG C 7 2.175 -4.078 -0.088 1.00 0.44 C ATOM 459 C6 DG C 7 2.449 -2.765 -0.588 1.00 0.45 C ATOM 460 O6 DG C 7 1.660 -1.943 -1.050 1.00 0.50 O ATOM 461 N1 DG C 7 3.809 -2.444 -0.506 1.00 0.43 N ATOM 462 C2 DG C 7 4.807 -3.273 -0.004 1.00 0.42 C ATOM 463 N2 DG C 7 6.049 -2.783 -0.007 1.00 0.44 N ATOM 464 N3 DG C 7 4.562 -4.512 0.470 1.00 0.42 N ATOM 465 C4 DG C 7 3.239 -4.853 0.402 1.00 0.42 C ATOM 0 H5' DG C 7 1.676 -10.207 -0.303 1.00 0.62 H new ATOM 0 H5'' DG C 7 1.384 -11.162 1.137 1.00 0.62 H new ATOM 0 H4' DG C 7 3.373 -10.207 1.648 1.00 0.59 H new ATOM 0 H3' DG C 7 1.174 -8.791 2.967 1.00 0.62 H new ATOM 0 H2' DG C 7 2.142 -6.697 3.109 1.00 0.56 H new ATOM 0 H2'' DG C 7 3.690 -7.395 3.541 1.00 0.56 H new ATOM 0 H1' DG C 7 4.450 -6.957 1.426 1.00 0.49 H new ATOM 0 H8 DG C 7 0.678 -6.667 0.754 1.00 0.47 H new ATOM 0 H1 DG C 7 4.092 -1.524 -0.843 1.00 0.43 H new ATOM 0 H21 DG C 7 6.821 -3.347 0.349 1.00 0.44 H new ATOM 0 H22 DG C 7 6.226 -1.845 -0.366 1.00 0.44 H new ATOM 477 P DC C 8 2.261 -9.417 5.399 1.00 0.84 P ATOM 478 OP1 DC C 8 2.695 -10.587 6.195 1.00 0.99 O ATOM 479 OP2 DC C 8 0.828 -9.050 5.345 1.00 0.87 O ATOM 480 O5' DC C 8 3.094 -8.132 5.900 1.00 0.80 O ATOM 481 C5' DC C 8 4.384 -8.295 6.494 1.00 0.93 C ATOM 482 C4' DC C 8 5.010 -6.954 6.889 1.00 0.89 C ATOM 483 O4' DC C 8 5.178 -6.098 5.742 1.00 0.80 O ATOM 484 C3' DC C 8 4.170 -6.198 7.913 1.00 0.97 C ATOM 485 O3' DC C 8 4.675 -6.396 9.236 1.00 1.10 O ATOM 486 C2' DC C 8 4.273 -4.745 7.501 1.00 0.93 C ATOM 487 C1' DC C 8 4.892 -4.730 6.105 1.00 0.80 C ATOM 488 N1 DC C 8 3.941 -4.120 5.139 1.00 0.72 N ATOM 489 C2 DC C 8 4.236 -2.858 4.606 1.00 0.69 C ATOM 490 O2 DC C 8 5.275 -2.273 4.906 1.00 0.74 O ATOM 491 N3 DC C 8 3.331 -2.308 3.749 1.00 0.65 N ATOM 492 C4 DC C 8 2.192 -2.942 3.414 1.00 0.63 C ATOM 493 N4 DC C 8 1.341 -2.353 2.566 1.00 0.64 N ATOM 494 C5 DC C 8 1.880 -4.236 3.951 1.00 0.65 C ATOM 495 C6 DC C 8 2.780 -4.783 4.805 1.00 0.69 C ATOM 0 H5' DC C 8 5.042 -8.810 5.794 1.00 0.93 H new ATOM 0 H5'' DC C 8 4.299 -8.929 7.377 1.00 0.93 H new ATOM 0 H4' DC C 8 5.977 -7.200 7.328 1.00 0.89 H new ATOM 0 H3' DC C 8 3.137 -6.544 7.933 1.00 0.97 H new ATOM 0 H2' DC C 8 3.290 -4.274 7.494 1.00 0.93 H new ATOM 0 H2'' DC C 8 4.890 -4.186 8.204 1.00 0.93 H new ATOM 0 HO3' DC C 8 4.121 -5.900 9.875 1.00 1.10 H new ATOM 0 H1' DC C 8 5.808 -4.139 6.091 1.00 0.80 H new ATOM 0 H41 DC C 8 0.474 -2.823 2.304 1.00 0.64 H new ATOM 0 H42 DC C 8 1.559 -1.434 2.181 1.00 0.64 H new ATOM 0 H5 DC C 8 0.968 -4.751 3.686 1.00 0.65 H new ATOM 0 H6 DC C 8 2.583 -5.756 5.231 1.00 0.69 H new TER 508 DC C 8 ATOM 509 N ASP A 3 18.069 -10.355 -4.907 1.00 2.69 N ATOM 510 CA ASP A 3 17.460 -8.995 -4.871 1.00 2.38 C ATOM 511 C ASP A 3 15.962 -9.093 -5.152 1.00 1.82 C ATOM 512 O ASP A 3 15.174 -9.430 -4.290 1.00 1.97 O ATOM 513 CB ASP A 3 18.106 -8.111 -5.942 1.00 2.40 C ATOM 514 CG ASP A 3 19.570 -7.853 -5.586 1.00 2.86 C ATOM 515 OD1 ASP A 3 19.811 -7.234 -4.563 1.00 3.48 O ATOM 516 OD2 ASP A 3 20.424 -8.275 -6.348 1.00 3.22 O ATOM 0 HA ASP A 3 17.624 -8.561 -3.885 1.00 2.38 H new ATOM 0 HB2 ASP A 3 18.039 -8.596 -6.916 1.00 2.40 H new ATOM 0 HB3 ASP A 3 17.569 -7.166 -6.019 1.00 2.40 H new ATOM 521 N ARG A 4 15.565 -8.786 -6.355 1.00 1.38 N ATOM 522 CA ARG A 4 14.121 -8.840 -6.703 1.00 1.03 C ATOM 523 C ARG A 4 13.675 -10.271 -6.913 1.00 0.92 C ATOM 524 O ARG A 4 14.291 -11.035 -7.631 1.00 0.90 O ATOM 525 CB ARG A 4 13.875 -8.092 -8.009 1.00 1.04 C ATOM 526 CG ARG A 4 14.312 -6.614 -7.880 1.00 1.21 C ATOM 527 CD ARG A 4 15.090 -6.204 -9.131 1.00 2.01 C ATOM 528 NE ARG A 4 15.236 -4.727 -9.158 1.00 2.45 N ATOM 529 CZ ARG A 4 16.067 -4.182 -9.996 1.00 2.96 C ATOM 530 NH1 ARG A 4 16.737 -4.936 -10.824 1.00 3.23 N ATOM 531 NH2 ARG A 4 16.221 -2.889 -10.012 1.00 3.78 N ATOM 0 H ARG A 4 16.182 -8.499 -7.114 1.00 1.38 H new ATOM 0 HA ARG A 4 13.565 -8.388 -5.882 1.00 1.03 H new ATOM 0 HB2 ARG A 4 14.427 -8.571 -8.818 1.00 1.04 H new ATOM 0 HB3 ARG A 4 12.818 -8.143 -8.270 1.00 1.04 H new ATOM 0 HG2 ARG A 4 13.438 -5.974 -7.756 1.00 1.21 H new ATOM 0 HG3 ARG A 4 14.932 -6.483 -6.993 1.00 1.21 H new ATOM 0 HD2 ARG A 4 16.072 -6.678 -9.134 1.00 2.01 H new ATOM 0 HD3 ARG A 4 14.569 -6.545 -10.025 1.00 2.01 H new ATOM 0 HE ARG A 4 14.689 -4.145 -8.524 1.00 2.45 H new ATOM 0 HH11 ARG A 4 16.607 -5.948 -10.812 1.00 3.23 H new ATOM 0 HH12 ARG A 4 17.390 -4.514 -11.484 1.00 3.23 H new ATOM 0 HH21 ARG A 4 15.690 -2.304 -9.367 1.00 3.78 H new ATOM 0 HH22 ARG A 4 16.873 -2.461 -10.669 1.00 3.78 H new ATOM 545 N VAL A 5 12.571 -10.620 -6.338 1.00 0.95 N ATOM 546 CA VAL A 5 12.026 -11.976 -6.542 1.00 0.96 C ATOM 547 C VAL A 5 11.140 -11.913 -7.781 1.00 0.85 C ATOM 548 O VAL A 5 10.658 -10.861 -8.149 1.00 0.84 O ATOM 549 CB VAL A 5 11.205 -12.380 -5.313 1.00 1.14 C ATOM 550 CG1 VAL A 5 10.697 -13.846 -5.450 1.00 1.27 C ATOM 551 CG2 VAL A 5 12.098 -12.228 -4.071 1.00 1.31 C ATOM 0 H VAL A 5 12.017 -10.018 -5.729 1.00 0.95 H new ATOM 0 HA VAL A 5 12.817 -12.713 -6.677 1.00 0.96 H new ATOM 0 HB VAL A 5 10.329 -11.738 -5.222 1.00 1.14 H new ATOM 0 HG11 VAL A 5 10.116 -14.114 -4.567 1.00 1.27 H new ATOM 0 HG12 VAL A 5 10.070 -13.932 -6.337 1.00 1.27 H new ATOM 0 HG13 VAL A 5 11.549 -14.519 -5.542 1.00 1.27 H new ATOM 0 HG21 VAL A 5 11.535 -12.510 -3.181 1.00 1.31 H new ATOM 0 HG22 VAL A 5 12.970 -12.874 -4.169 1.00 1.31 H new ATOM 0 HG23 VAL A 5 12.423 -11.191 -3.981 1.00 1.31 H new ATOM 561 N LYS A 6 10.929 -13.008 -8.431 1.00 0.94 N ATOM 562 CA LYS A 6 10.081 -12.994 -9.654 1.00 0.91 C ATOM 563 C LYS A 6 8.620 -12.806 -9.230 1.00 0.85 C ATOM 564 O LYS A 6 8.231 -13.181 -8.141 1.00 1.13 O ATOM 565 CB LYS A 6 10.257 -14.332 -10.414 1.00 1.24 C ATOM 566 CG LYS A 6 10.901 -15.374 -9.483 1.00 1.26 C ATOM 567 CD LYS A 6 10.749 -16.788 -10.072 1.00 1.69 C ATOM 568 CE LYS A 6 9.429 -17.407 -9.603 1.00 1.95 C ATOM 569 NZ LYS A 6 9.138 -18.622 -10.412 1.00 2.55 N ATOM 0 H LYS A 6 11.305 -13.920 -8.173 1.00 0.94 H new ATOM 0 HA LYS A 6 10.374 -12.178 -10.315 1.00 0.91 H new ATOM 0 HB2 LYS A 6 9.290 -14.692 -10.766 1.00 1.24 H new ATOM 0 HB3 LYS A 6 10.881 -14.182 -11.295 1.00 1.24 H new ATOM 0 HG2 LYS A 6 11.957 -15.143 -9.344 1.00 1.26 H new ATOM 0 HG3 LYS A 6 10.433 -15.331 -8.500 1.00 1.26 H new ATOM 0 HD2 LYS A 6 10.773 -16.743 -11.161 1.00 1.69 H new ATOM 0 HD3 LYS A 6 11.585 -17.413 -9.760 1.00 1.69 H new ATOM 0 HE2 LYS A 6 9.492 -17.667 -8.546 1.00 1.95 H new ATOM 0 HE3 LYS A 6 8.619 -16.685 -9.706 1.00 1.95 H new ATOM 0 HZ1 LYS A 6 8.242 -19.044 -10.095 1.00 2.55 H new ATOM 0 HZ2 LYS A 6 9.062 -18.361 -11.416 1.00 2.55 H new ATOM 0 HZ3 LYS A 6 9.907 -19.312 -10.291 1.00 2.55 H new ATOM 583 N ARG A 7 7.810 -12.219 -10.079 1.00 0.72 N ATOM 584 CA ARG A 7 6.373 -11.999 -9.725 1.00 0.87 C ATOM 585 C ARG A 7 5.503 -12.215 -10.989 1.00 0.76 C ATOM 586 O ARG A 7 5.738 -11.577 -11.993 1.00 0.82 O ATOM 587 CB ARG A 7 6.178 -10.563 -9.180 1.00 1.12 C ATOM 588 CG ARG A 7 6.833 -9.499 -10.094 1.00 1.16 C ATOM 589 CD ARG A 7 8.353 -9.390 -9.838 1.00 1.27 C ATOM 590 NE ARG A 7 9.049 -9.395 -11.161 1.00 1.84 N ATOM 591 CZ ARG A 7 10.334 -9.186 -11.232 1.00 2.25 C ATOM 592 NH1 ARG A 7 11.044 -9.096 -10.142 1.00 2.32 N ATOM 593 NH2 ARG A 7 10.915 -9.096 -12.398 1.00 3.22 N ATOM 0 H ARG A 7 8.083 -11.883 -11.002 1.00 0.72 H new ATOM 0 HA ARG A 7 6.072 -12.706 -8.952 1.00 0.87 H new ATOM 0 HB2 ARG A 7 5.113 -10.353 -9.086 1.00 1.12 H new ATOM 0 HB3 ARG A 7 6.606 -10.494 -8.180 1.00 1.12 H new ATOM 0 HG2 ARG A 7 6.657 -9.757 -11.138 1.00 1.16 H new ATOM 0 HG3 ARG A 7 6.364 -8.531 -9.921 1.00 1.16 H new ATOM 0 HD2 ARG A 7 8.582 -8.475 -9.291 1.00 1.27 H new ATOM 0 HD3 ARG A 7 8.696 -10.223 -9.224 1.00 1.27 H new ATOM 0 HE ARG A 7 8.515 -9.563 -12.014 1.00 1.84 H new ATOM 0 HH11 ARG A 7 10.594 -9.189 -9.231 1.00 2.32 H new ATOM 0 HH12 ARG A 7 12.049 -8.932 -10.200 1.00 2.32 H new ATOM 0 HH21 ARG A 7 10.364 -9.189 -13.251 1.00 3.22 H new ATOM 0 HH22 ARG A 7 11.920 -8.933 -12.456 1.00 3.22 H new ATOM 607 N PRO A 8 4.520 -13.104 -10.951 1.00 0.77 N ATOM 608 CA PRO A 8 3.681 -13.327 -12.140 1.00 0.76 C ATOM 609 C PRO A 8 2.858 -12.068 -12.417 1.00 0.61 C ATOM 610 O PRO A 8 3.023 -11.049 -11.776 1.00 0.60 O ATOM 611 CB PRO A 8 2.760 -14.509 -11.772 1.00 0.96 C ATOM 612 CG PRO A 8 2.934 -14.765 -10.253 1.00 1.18 C ATOM 613 CD PRO A 8 4.159 -13.946 -9.783 1.00 0.99 C ATOM 0 HA PRO A 8 4.265 -13.543 -13.034 1.00 0.76 H new ATOM 0 HB2 PRO A 8 1.721 -14.276 -12.007 1.00 0.96 H new ATOM 0 HB3 PRO A 8 3.025 -15.397 -12.345 1.00 0.96 H new ATOM 0 HG2 PRO A 8 2.039 -14.464 -9.708 1.00 1.18 H new ATOM 0 HG3 PRO A 8 3.084 -15.827 -10.057 1.00 1.18 H new ATOM 0 HD2 PRO A 8 3.917 -13.335 -8.914 1.00 0.99 H new ATOM 0 HD3 PRO A 8 4.984 -14.597 -9.494 1.00 0.99 H new ATOM 621 N MET A 9 1.962 -12.145 -13.352 1.00 0.57 N ATOM 622 CA MET A 9 1.111 -10.972 -13.659 1.00 0.52 C ATOM 623 C MET A 9 0.235 -10.672 -12.443 1.00 0.46 C ATOM 624 O MET A 9 -0.162 -11.565 -11.721 1.00 0.57 O ATOM 625 CB MET A 9 0.229 -11.297 -14.863 1.00 0.60 C ATOM 626 CG MET A 9 1.114 -11.729 -16.034 1.00 0.60 C ATOM 627 SD MET A 9 2.130 -10.329 -16.566 1.00 0.85 S ATOM 628 CE MET A 9 2.975 -11.167 -17.928 1.00 0.98 C ATOM 0 H MET A 9 1.782 -12.973 -13.919 1.00 0.57 H new ATOM 0 HA MET A 9 1.729 -10.104 -13.889 1.00 0.52 H new ATOM 0 HB2 MET A 9 -0.473 -12.091 -14.610 1.00 0.60 H new ATOM 0 HB3 MET A 9 -0.363 -10.425 -15.141 1.00 0.60 H new ATOM 0 HG2 MET A 9 1.750 -12.562 -15.736 1.00 0.60 H new ATOM 0 HG3 MET A 9 0.497 -12.080 -16.861 1.00 0.60 H new ATOM 0 HE1 MET A 9 3.287 -10.432 -18.670 1.00 0.98 H new ATOM 0 HE2 MET A 9 3.851 -11.691 -17.545 1.00 0.98 H new ATOM 0 HE3 MET A 9 2.297 -11.884 -18.391 1.00 0.98 H new ATOM 638 N ASN A 10 -0.075 -9.427 -12.206 1.00 0.40 N ATOM 639 CA ASN A 10 -0.933 -9.087 -11.034 1.00 0.38 C ATOM 640 C ASN A 10 -2.398 -9.197 -11.449 1.00 0.34 C ATOM 641 O ASN A 10 -2.756 -8.873 -12.564 1.00 0.31 O ATOM 642 CB ASN A 10 -0.636 -7.658 -10.577 1.00 0.40 C ATOM 643 CG ASN A 10 0.877 -7.439 -10.538 1.00 0.46 C ATOM 644 OD1 ASN A 10 1.397 -6.584 -11.227 1.00 0.67 O ATOM 645 ND2 ASN A 10 1.610 -8.184 -9.757 1.00 0.63 N ATOM 0 H ASN A 10 0.227 -8.633 -12.770 1.00 0.40 H new ATOM 0 HA ASN A 10 -0.727 -9.774 -10.213 1.00 0.38 H new ATOM 0 HB2 ASN A 10 -1.100 -6.944 -11.257 1.00 0.40 H new ATOM 0 HB3 ASN A 10 -1.065 -7.484 -9.590 1.00 0.40 H new ATOM 0 HD21 ASN A 10 2.620 -8.049 -9.724 1.00 0.63 H new ATOM 0 HD22 ASN A 10 1.173 -8.902 -9.179 1.00 0.63 H new ATOM 652 N ALA A 11 -3.247 -9.653 -10.565 1.00 0.36 N ATOM 653 CA ALA A 11 -4.694 -9.788 -10.913 1.00 0.35 C ATOM 654 C ALA A 11 -5.163 -8.538 -11.660 1.00 0.33 C ATOM 655 O ALA A 11 -6.135 -8.564 -12.391 1.00 0.32 O ATOM 656 CB ALA A 11 -5.515 -9.964 -9.630 1.00 0.40 C ATOM 0 H ALA A 11 -3.001 -9.938 -9.617 1.00 0.36 H new ATOM 0 HA ALA A 11 -4.833 -10.660 -11.552 1.00 0.35 H new ATOM 0 HB1 ALA A 11 -6.570 -10.062 -9.884 1.00 0.40 H new ATOM 0 HB2 ALA A 11 -5.183 -10.860 -9.106 1.00 0.40 H new ATOM 0 HB3 ALA A 11 -5.376 -9.095 -8.987 1.00 0.40 H new ATOM 662 N PHE A 12 -4.470 -7.443 -11.490 1.00 0.32 N ATOM 663 CA PHE A 12 -4.870 -6.198 -12.196 1.00 0.31 C ATOM 664 C PHE A 12 -4.395 -6.270 -13.652 1.00 0.28 C ATOM 665 O PHE A 12 -5.176 -6.101 -14.570 1.00 0.28 O ATOM 666 CB PHE A 12 -4.248 -4.982 -11.497 1.00 0.35 C ATOM 667 CG PHE A 12 -4.432 -3.746 -12.353 1.00 0.33 C ATOM 668 CD1 PHE A 12 -5.679 -3.095 -12.408 1.00 0.39 C ATOM 669 CD2 PHE A 12 -3.353 -3.250 -13.100 1.00 0.38 C ATOM 670 CE1 PHE A 12 -5.837 -1.950 -13.216 1.00 0.42 C ATOM 671 CE2 PHE A 12 -3.509 -2.107 -13.905 1.00 0.41 C ATOM 672 CZ PHE A 12 -4.752 -1.458 -13.964 1.00 0.39 C ATOM 0 H PHE A 12 -3.647 -7.360 -10.894 1.00 0.32 H new ATOM 0 HA PHE A 12 -5.955 -6.096 -12.175 1.00 0.31 H new ATOM 0 HB2 PHE A 12 -4.714 -4.833 -10.523 1.00 0.35 H new ATOM 0 HB3 PHE A 12 -3.187 -5.157 -11.319 1.00 0.35 H new ATOM 0 HD1 PHE A 12 -6.512 -3.471 -11.833 1.00 0.39 H new ATOM 0 HD2 PHE A 12 -2.396 -3.749 -13.057 1.00 0.38 H new ATOM 0 HE1 PHE A 12 -6.793 -1.450 -13.261 1.00 0.42 H new ATOM 0 HE2 PHE A 12 -2.674 -1.730 -14.477 1.00 0.41 H new ATOM 0 HZ PHE A 12 -4.875 -0.582 -14.583 1.00 0.39 H new ATOM 682 N ILE A 13 -3.131 -6.522 -13.888 24.61 0.28 N ATOM 683 CA ILE A 13 -2.674 -6.597 -15.301 24.61 0.27 C ATOM 684 C ILE A 13 -3.395 -7.770 -15.983 24.61 0.27 C ATOM 685 O ILE A 13 -3.602 -7.759 -17.176 24.61 0.29 O ATOM 686 CB ILE A 13 -1.124 -6.735 -15.383 24.61 0.28 C ATOM 687 CG1 ILE A 13 -0.513 -5.325 -15.180 24.61 0.30 C ATOM 688 CG2 ILE A 13 -0.716 -7.307 -16.765 24.61 0.32 C ATOM 689 CD1 ILE A 13 1.004 -5.359 -14.928 24.61 0.30 C ATOM 0 H ILE A 13 -2.414 -6.675 -13.179 24.61 0.28 H new ATOM 0 HA ILE A 13 -2.925 -5.674 -15.824 24.61 0.27 H new ATOM 0 HB ILE A 13 -0.758 -7.417 -14.616 24.61 0.28 H new ATOM 0 HG12 ILE A 13 -0.716 -4.717 -16.061 24.61 0.30 H new ATOM 0 HG13 ILE A 13 -1.005 -4.839 -14.337 24.61 0.30 H new ATOM 0 HG21 ILE A 13 0.369 -7.400 -16.814 24.61 0.32 H new ATOM 0 HG22 ILE A 13 -1.171 -8.288 -16.902 24.61 0.32 H new ATOM 0 HG23 ILE A 13 -1.058 -6.635 -17.552 24.61 0.32 H new ATOM 0 HD11 ILE A 13 1.373 -4.342 -14.794 24.61 0.30 H new ATOM 0 HD12 ILE A 13 1.211 -5.942 -14.030 24.61 0.30 H new ATOM 0 HD13 ILE A 13 1.504 -5.817 -15.781 24.61 0.30 H new ATOM 701 N VAL A 14 -3.831 -8.763 -15.240 1.00 0.28 N ATOM 702 CA VAL A 14 -4.576 -9.884 -15.895 1.00 0.30 C ATOM 703 C VAL A 14 -5.703 -9.269 -16.725 1.00 0.29 C ATOM 704 O VAL A 14 -5.846 -9.556 -17.901 1.00 0.30 O ATOM 705 CB VAL A 14 -5.158 -10.836 -14.835 1.00 0.32 C ATOM 706 CG1 VAL A 14 -6.075 -11.886 -15.489 1.00 0.37 C ATOM 707 CG2 VAL A 14 -4.011 -11.566 -14.136 1.00 0.32 C ATOM 0 H VAL A 14 -3.706 -8.844 -14.231 1.00 0.28 H new ATOM 0 HA VAL A 14 -3.905 -10.463 -16.529 1.00 0.30 H new ATOM 0 HB VAL A 14 -5.737 -10.249 -14.122 1.00 0.32 H new ATOM 0 HG11 VAL A 14 -6.475 -12.548 -14.721 1.00 0.37 H new ATOM 0 HG12 VAL A 14 -6.897 -11.384 -16.000 1.00 0.37 H new ATOM 0 HG13 VAL A 14 -5.503 -12.470 -16.210 1.00 0.37 H new ATOM 0 HG21 VAL A 14 -4.415 -12.243 -13.383 1.00 0.32 H new ATOM 0 HG22 VAL A 14 -3.443 -12.138 -14.870 1.00 0.32 H new ATOM 0 HG23 VAL A 14 -3.356 -10.839 -13.656 1.00 0.32 H new ATOM 717 N TRP A 15 -6.491 -8.396 -16.139101.08 0.30 N ATOM 718 CA TRP A 15 -7.574 -7.753 -16.934101.08 0.30 C ATOM 719 C TRP A 15 -6.926 -7.175 -18.176101.08 0.29 C ATOM 720 O TRP A 15 -7.306 -7.485 -19.287101.08 0.31 O ATOM 721 CB TRP A 15 -8.234 -6.602 -16.154101.08 0.31 C ATOM 722 CG TRP A 15 -9.235 -7.118 -15.173101.08 0.35 C ATOM 723 CD1 TRP A 15 -10.230 -8.001 -15.443101.08 0.40 C ATOM 724 CD2 TRP A 15 -9.369 -6.766 -13.768101.08 0.38 C ATOM 725 NE1 TRP A 15 -10.949 -8.228 -14.284101.08 0.45 N ATOM 726 CE2 TRP A 15 -10.460 -7.491 -13.225101.08 0.44 C ATOM 727 CE3 TRP A 15 -8.649 -5.901 -12.916101.08 0.38 C ATOM 728 CZ2 TRP A 15 -10.827 -7.366 -11.879101.08 0.49 C ATOM 729 CZ3 TRP A 15 -9.015 -5.766 -11.560101.08 0.44 C ATOM 730 CH2 TRP A 15 -10.101 -6.500 -11.042101.08 0.49 C ATOM 0 H TRP A 15 -6.429 -8.108 -15.162101.08 0.30 H new ATOM 0 HA TRP A 15 -8.342 -8.491 -17.168101.08 0.30 H new ATOM 0 HB2 TRP A 15 -7.469 -6.029 -15.630101.08 0.31 H new ATOM 0 HB3 TRP A 15 -8.722 -5.920 -16.850101.08 0.31 H new ATOM 0 HD1 TRP A 15 -10.427 -8.452 -16.404101.08 0.40 H new ATOM 0 HE1 TRP A 15 -11.744 -8.863 -14.220101.08 0.45 H new ATOM 0 HE3 TRP A 15 -7.813 -5.339 -13.305101.08 0.38 H new ATOM 0 HZ2 TRP A 15 -11.661 -7.930 -11.487101.08 0.49 H new ATOM 0 HZ3 TRP A 15 -8.461 -5.098 -10.917101.08 0.44 H new ATOM 0 HH2 TRP A 15 -10.376 -6.397 -10.003101.08 0.49 H new ATOM 741 N SER A 16 -5.931 -6.341 -17.982 1.00 0.30 N ATOM 742 CA SER A 16 -5.229 -5.725 -19.137 1.00 0.31 C ATOM 743 C SER A 16 -5.068 -6.764 -20.244 1.00 0.31 C ATOM 744 O SER A 16 -5.534 -6.593 -21.320 1.00 0.32 O ATOM 745 CB SER A 16 -3.853 -5.208 -18.711 1.00 0.35 C ATOM 746 OG SER A 16 -3.410 -4.236 -19.650 1.00 0.41 O ATOM 0 H SER A 16 -5.579 -6.064 -17.066 1.00 0.30 H new ATOM 0 HA SER A 16 -5.819 -4.885 -19.504 1.00 0.31 H new ATOM 0 HB2 SER A 16 -3.908 -4.770 -17.714 1.00 0.35 H new ATOM 0 HB3 SER A 16 -3.141 -6.032 -18.659 1.00 0.35 H new ATOM 0 HG SER A 16 -2.530 -3.899 -19.382 1.00 0.41 H new ATOM 752 N ARG A 17 -4.436 -7.856 -19.971 1.00 0.36 N ATOM 753 CA ARG A 17 -4.272 -8.905 -21.023 1.00 0.39 C ATOM 754 C ARG A 17 -5.572 -9.078 -21.850 1.00 0.36 C ATOM 755 O ARG A 17 -5.666 -8.639 -22.983 1.00 0.38 O ATOM 756 CB ARG A 17 -3.941 -10.242 -20.355 1.00 0.43 C ATOM 757 CG ARG A 17 -2.728 -10.096 -19.421 1.00 0.43 C ATOM 758 CD ARG A 17 -1.424 -9.909 -20.209 1.00 0.65 C ATOM 759 NE ARG A 17 -1.366 -10.916 -21.313 1.00 1.36 N ATOM 760 CZ ARG A 17 -0.347 -10.952 -22.122 1.00 1.72 C ATOM 761 NH1 ARG A 17 0.710 -10.225 -21.876 1.00 1.82 N ATOM 762 NH2 ARG A 17 -0.365 -11.747 -23.156 1.00 2.66 N ATOM 0 H ARG A 17 -4.021 -8.079 -19.066 1.00 0.36 H new ATOM 0 HA ARG A 17 -3.468 -8.594 -21.690 1.00 0.39 H new ATOM 0 HB2 ARG A 17 -4.803 -10.594 -19.788 1.00 0.43 H new ATOM 0 HB3 ARG A 17 -3.732 -10.993 -21.117 1.00 0.43 H new ATOM 0 HG2 ARG A 17 -2.879 -9.243 -18.759 1.00 0.43 H new ATOM 0 HG3 ARG A 17 -2.647 -10.980 -18.788 1.00 0.43 H new ATOM 0 HD2 ARG A 17 -1.374 -8.900 -20.618 1.00 0.65 H new ATOM 0 HD3 ARG A 17 -0.566 -10.027 -19.548 1.00 0.65 H new ATOM 0 HE ARG A 17 -2.131 -11.580 -21.433 1.00 1.36 H new ATOM 0 HH11 ARG A 17 0.737 -9.628 -21.049 1.00 1.82 H new ATOM 0 HH12 ARG A 17 1.508 -10.254 -22.511 1.00 1.82 H new ATOM 0 HH21 ARG A 17 -1.177 -12.339 -23.330 1.00 2.66 H new ATOM 0 HH22 ARG A 17 0.433 -11.776 -23.791 1.00 2.66 H new ATOM 776 N ASP A 18 -6.554 -9.748 -21.300 1.00 0.36 N ATOM 777 CA ASP A 18 -7.830 -10.004 -22.056 1.00 0.37 C ATOM 778 C ASP A 18 -8.767 -8.779 -22.113 1.00 0.34 C ATOM 779 O ASP A 18 -9.265 -8.424 -23.163 1.00 0.38 O ATOM 780 CB ASP A 18 -8.570 -11.162 -21.388 1.00 0.42 C ATOM 781 CG ASP A 18 -7.637 -12.371 -21.282 1.00 0.51 C ATOM 782 OD1 ASP A 18 -7.246 -12.886 -22.317 1.00 1.20 O ATOM 783 OD2 ASP A 18 -7.328 -12.761 -20.168 1.00 1.19 O ATOM 0 H ASP A 18 -6.531 -10.133 -20.356 1.00 0.36 H new ATOM 0 HA ASP A 18 -7.553 -10.239 -23.084 1.00 0.37 H new ATOM 0 HB2 ASP A 18 -8.912 -10.865 -20.397 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -9.456 -11.423 -21.966 1.00 0.42 H new ATOM 788 N GLN A 19 -9.052 -8.158 -21.002 1.00 0.32 N ATOM 789 CA GLN A 19 -10.001 -6.991 -21.013 1.00 0.33 C ATOM 790 C GLN A 19 -9.585 -5.983 -22.070 1.00 0.31 C ATOM 791 O GLN A 19 -10.359 -5.550 -22.890 1.00 0.35 O ATOM 792 CB GLN A 19 -9.948 -6.298 -19.647 1.00 0.36 C ATOM 793 CG GLN A 19 -10.923 -5.119 -19.605 1.00 0.44 C ATOM 794 CD GLN A 19 -12.342 -5.624 -19.814 1.00 1.23 C ATOM 795 OE1 GLN A 19 -12.859 -5.597 -20.911 1.00 2.13 O ATOM 796 NE2 GLN A 19 -12.996 -6.089 -18.795 1.00 1.92 N ATOM 0 H GLN A 19 -8.674 -8.401 -20.086 1.00 0.32 H new ATOM 0 HA GLN A 19 -11.005 -7.355 -21.230 1.00 0.33 H new ATOM 0 HB2 GLN A 19 -10.197 -7.011 -18.861 1.00 0.36 H new ATOM 0 HB3 GLN A 19 -8.935 -5.947 -19.450 1.00 0.36 H new ATOM 0 HG2 GLN A 19 -10.847 -4.605 -18.647 1.00 0.44 H new ATOM 0 HG3 GLN A 19 -10.667 -4.394 -20.378 1.00 0.44 H new ATOM 0 HE21 GLN A 19 -12.558 -6.110 -17.874 1.00 1.92 H new ATOM 0 HE22 GLN A 19 -13.949 -6.434 -18.914 1.00 1.92 H new ATOM 805 N ARG A 20 -8.369 -5.604 -22.027 1.00 0.32 N ATOM 806 CA ARG A 20 -7.830 -4.608 -22.977 1.00 0.36 C ATOM 807 C ARG A 20 -8.000 -5.097 -24.402 1.00 0.38 C ATOM 808 O ARG A 20 -8.316 -4.331 -25.292 1.00 0.41 O ATOM 809 CB ARG A 20 -6.377 -4.561 -22.639 1.00 0.47 C ATOM 810 CG ARG A 20 -5.593 -3.507 -23.375 1.00 1.21 C ATOM 811 CD ARG A 20 -4.199 -3.477 -22.722 1.00 1.47 C ATOM 812 NE ARG A 20 -3.220 -2.893 -23.653 1.00 2.18 N ATOM 813 CZ ARG A 20 -2.999 -3.421 -24.809 1.00 2.96 C ATOM 814 NH1 ARG A 20 -3.480 -4.589 -25.137 1.00 3.23 N ATOM 815 NH2 ARG A 20 -2.249 -2.796 -25.626 1.00 3.96 N ATOM 0 H ARG A 20 -7.689 -5.950 -21.350 1.00 0.32 H new ATOM 0 HA ARG A 20 -8.328 -3.641 -22.906 1.00 0.36 H new ATOM 0 HB2 ARG A 20 -6.273 -4.390 -21.568 1.00 0.47 H new ATOM 0 HB3 ARG A 20 -5.937 -5.536 -22.851 1.00 0.47 H new ATOM 0 HG2 ARG A 20 -5.521 -3.745 -24.436 1.00 1.21 H new ATOM 0 HG3 ARG A 20 -6.080 -2.535 -23.299 1.00 1.21 H new ATOM 0 HD2 ARG A 20 -4.232 -2.893 -21.802 1.00 1.47 H new ATOM 0 HD3 ARG A 20 -3.895 -4.487 -22.448 1.00 1.47 H new ATOM 0 HE ARG A 20 -2.707 -2.055 -23.379 1.00 2.18 H new ATOM 0 HH11 ARG A 20 -4.049 -5.112 -24.471 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -3.287 -4.979 -26.059 1.00 3.23 H new ATOM 0 HH21 ARG A 20 -1.840 -1.901 -25.360 1.00 3.96 H new ATOM 0 HH22 ARG A 20 -2.058 -3.191 -26.547 1.00 3.96 H new ATOM 829 N ARG A 21 -7.793 -6.364 -24.645 1.00 0.41 N ATOM 830 CA ARG A 21 -7.957 -6.852 -26.034 1.00 0.50 C ATOM 831 C ARG A 21 -9.329 -6.401 -26.524 1.00 0.51 C ATOM 832 O ARG A 21 -9.501 -6.063 -27.671 1.00 0.58 O ATOM 833 CB ARG A 21 -7.831 -8.391 -26.089 1.00 0.57 C ATOM 834 CG ARG A 21 -8.321 -8.960 -27.447 1.00 0.64 C ATOM 835 CD ARG A 21 -7.410 -8.503 -28.611 1.00 0.67 C ATOM 836 NE ARG A 21 -6.620 -9.675 -29.080 1.00 1.31 N ATOM 837 CZ ARG A 21 -5.852 -9.569 -30.126 1.00 1.63 C ATOM 838 NH1 ARG A 21 -5.722 -8.414 -30.720 1.00 1.80 N ATOM 839 NH2 ARG A 21 -5.196 -10.608 -30.564 1.00 2.45 N ATOM 0 H ARG A 21 -7.523 -7.065 -23.955 1.00 0.41 H new ATOM 0 HA ARG A 21 -7.176 -6.443 -26.675 1.00 0.50 H new ATOM 0 HB2 ARG A 21 -6.791 -8.677 -25.929 1.00 0.57 H new ATOM 0 HB3 ARG A 21 -8.411 -8.833 -25.279 1.00 0.57 H new ATOM 0 HG2 ARG A 21 -8.338 -10.049 -27.402 1.00 0.64 H new ATOM 0 HG3 ARG A 21 -9.344 -8.632 -27.633 1.00 0.64 H new ATOM 0 HD2 ARG A 21 -8.011 -8.100 -29.426 1.00 0.67 H new ATOM 0 HD3 ARG A 21 -6.745 -7.705 -28.281 1.00 0.67 H new ATOM 0 HE ARG A 21 -6.681 -10.562 -28.581 1.00 1.31 H new ATOM 0 HH11 ARG A 21 -6.221 -7.599 -30.364 1.00 1.80 H new ATOM 0 HH12 ARG A 21 -5.121 -8.327 -31.540 1.00 1.80 H new ATOM 0 HH21 ARG A 21 -5.284 -11.505 -30.087 1.00 2.45 H new ATOM 0 HH22 ARG A 21 -4.595 -10.523 -31.384 1.00 2.45 H new ATOM 853 N LYS A 22 -10.302 -6.364 -25.650 1.00 0.49 N ATOM 854 CA LYS A 22 -11.655 -5.912 -26.070 1.00 0.55 C ATOM 855 C LYS A 22 -11.575 -4.442 -26.494 1.00 0.52 C ATOM 856 O LYS A 22 -12.082 -4.052 -27.526 1.00 0.56 O ATOM 857 CB LYS A 22 -12.601 -6.063 -24.875 1.00 0.58 C ATOM 858 CG LYS A 22 -14.047 -5.677 -25.248 1.00 0.66 C ATOM 859 CD LYS A 22 -14.775 -5.126 -24.006 1.00 0.69 C ATOM 860 CE LYS A 22 -14.305 -3.694 -23.690 1.00 0.79 C ATOM 861 NZ LYS A 22 -15.329 -3.012 -22.853 1.00 1.72 N ATOM 0 H LYS A 22 -10.215 -6.627 -24.668 1.00 0.49 H new ATOM 0 HA LYS A 22 -12.022 -6.505 -26.907 1.00 0.55 H new ATOM 0 HB2 LYS A 22 -12.578 -7.093 -24.519 1.00 0.58 H new ATOM 0 HB3 LYS A 22 -12.256 -5.435 -24.054 1.00 0.58 H new ATOM 0 HG2 LYS A 22 -14.041 -4.928 -26.040 1.00 0.66 H new ATOM 0 HG3 LYS A 22 -14.577 -6.547 -25.636 1.00 0.66 H new ATOM 0 HD2 LYS A 22 -15.851 -5.131 -24.177 1.00 0.69 H new ATOM 0 HD3 LYS A 22 -14.585 -5.774 -23.150 1.00 0.69 H new ATOM 0 HE2 LYS A 22 -13.350 -3.720 -23.166 1.00 0.79 H new ATOM 0 HE3 LYS A 22 -14.146 -3.139 -24.615 1.00 0.79 H new ATOM 0 HZ1 LYS A 22 -15.014 -2.045 -22.638 1.00 1.72 H new ATOM 0 HZ2 LYS A 22 -16.231 -2.976 -23.369 1.00 1.72 H new ATOM 0 HZ3 LYS A 22 -15.459 -3.539 -21.966 1.00 1.72 H new ATOM 875 N MET A 23 -10.938 -3.625 -25.702 1.00 0.49 N ATOM 876 CA MET A 23 -10.819 -2.181 -26.052 1.00 0.50 C ATOM 877 C MET A 23 -10.024 -2.028 -27.353 1.00 0.49 C ATOM 878 O MET A 23 -10.217 -1.095 -28.104 1.00 0.53 O ATOM 879 CB MET A 23 -10.093 -1.444 -24.919 1.00 0.49 C ATOM 880 CG MET A 23 -10.324 0.064 -25.044 1.00 0.57 C ATOM 881 SD MET A 23 -12.031 0.452 -24.573 1.00 0.84 S ATOM 882 CE MET A 23 -11.880 2.258 -24.539 1.00 0.91 C ATOM 0 H MET A 23 -10.493 -3.896 -24.825 1.00 0.49 H new ATOM 0 HA MET A 23 -11.814 -1.757 -26.188 1.00 0.50 H new ATOM 0 HB2 MET A 23 -10.455 -1.797 -23.953 1.00 0.49 H new ATOM 0 HB3 MET A 23 -9.026 -1.661 -24.958 1.00 0.49 H new ATOM 0 HG2 MET A 23 -9.627 0.604 -24.404 1.00 0.57 H new ATOM 0 HG3 MET A 23 -10.135 0.389 -26.067 1.00 0.57 H new ATOM 0 HE1 MET A 23 -12.839 2.698 -24.265 1.00 0.91 H new ATOM 0 HE2 MET A 23 -11.126 2.546 -23.807 1.00 0.91 H new ATOM 0 HE3 MET A 23 -11.584 2.617 -25.525 1.00 0.91 H new ATOM 892 N ALA A 24 -9.119 -2.930 -27.617 1.00 0.48 N ATOM 893 CA ALA A 24 -8.301 -2.825 -28.859 1.00 0.52 C ATOM 894 C ALA A 24 -9.153 -3.159 -30.099 1.00 0.58 C ATOM 895 O ALA A 24 -8.892 -2.676 -31.182 1.00 0.67 O ATOM 896 CB ALA A 24 -7.109 -3.795 -28.759 1.00 0.51 C ATOM 0 H ALA A 24 -8.910 -3.735 -27.027 1.00 0.48 H new ATOM 0 HA ALA A 24 -7.936 -1.803 -28.963 1.00 0.52 H new ATOM 0 HB1 ALA A 24 -6.505 -3.724 -29.664 1.00 0.51 H new ATOM 0 HB2 ALA A 24 -6.499 -3.534 -27.894 1.00 0.51 H new ATOM 0 HB3 ALA A 24 -7.478 -4.815 -28.648 1.00 0.51 H new ATOM 902 N LEU A 25 -10.149 -3.991 -29.956 1.00 0.65 N ATOM 903 CA LEU A 25 -10.990 -4.363 -31.137 1.00 0.73 C ATOM 904 C LEU A 25 -11.773 -3.157 -31.650 1.00 0.70 C ATOM 905 O LEU A 25 -11.613 -2.731 -32.777 1.00 0.76 O ATOM 906 CB LEU A 25 -11.998 -5.442 -30.733 1.00 0.90 C ATOM 907 CG LEU A 25 -11.269 -6.741 -30.374 1.00 1.04 C ATOM 908 CD1 LEU A 25 -12.268 -7.752 -29.787 1.00 1.25 C ATOM 909 CD2 LEU A 25 -10.591 -7.341 -31.628 1.00 1.21 C ATOM 0 H LEU A 25 -10.419 -4.430 -29.076 1.00 0.65 H new ATOM 0 HA LEU A 25 -10.325 -4.727 -31.920 1.00 0.73 H new ATOM 0 HB2 LEU A 25 -12.586 -5.100 -29.882 1.00 0.90 H new ATOM 0 HB3 LEU A 25 -12.696 -5.622 -31.551 1.00 0.90 H new ATOM 0 HG LEU A 25 -10.501 -6.520 -29.633 1.00 1.04 H new ATOM 0 HD11 LEU A 25 -11.746 -8.674 -29.533 1.00 1.25 H new ATOM 0 HD12 LEU A 25 -12.724 -7.334 -28.889 1.00 1.25 H new ATOM 0 HD13 LEU A 25 -13.044 -7.965 -30.522 1.00 1.25 H new ATOM 0 HD21 LEU A 25 -10.077 -8.263 -31.358 1.00 1.21 H new ATOM 0 HD22 LEU A 25 -11.347 -7.555 -32.383 1.00 1.21 H new ATOM 0 HD23 LEU A 25 -9.870 -6.628 -32.028 1.00 1.21 H new ATOM 921 N GLU A 26 -12.655 -2.639 -30.846 1.00 0.77 N ATOM 922 CA GLU A 26 -13.495 -1.492 -31.288 1.00 0.89 C ATOM 923 C GLU A 26 -12.736 -0.173 -31.165 1.00 0.81 C ATOM 924 O GLU A 26 -13.101 0.809 -31.779 1.00 0.90 O ATOM 925 CB GLU A 26 -14.741 -1.434 -30.409 1.00 1.13 C ATOM 926 CG GLU A 26 -15.655 -2.612 -30.740 1.00 1.28 C ATOM 927 CD GLU A 26 -16.890 -2.567 -29.840 1.00 1.56 C ATOM 928 OE1 GLU A 26 -17.297 -1.474 -29.481 1.00 1.96 O ATOM 929 OE2 GLU A 26 -17.407 -3.626 -29.523 1.00 1.98 O ATOM 0 H GLU A 26 -12.832 -2.962 -29.895 1.00 0.77 H new ATOM 0 HA GLU A 26 -13.764 -1.636 -32.334 1.00 0.89 H new ATOM 0 HB2 GLU A 26 -14.458 -1.464 -29.357 1.00 1.13 H new ATOM 0 HB3 GLU A 26 -15.269 -0.494 -30.570 1.00 1.13 H new ATOM 0 HG2 GLU A 26 -15.954 -2.571 -31.788 1.00 1.28 H new ATOM 0 HG3 GLU A 26 -15.121 -3.552 -30.597 1.00 1.28 H new ATOM 936 N ASN A 27 -11.701 -0.124 -30.364 1.00 0.71 N ATOM 937 CA ASN A 27 -10.948 1.160 -30.196 1.00 0.71 C ATOM 938 C ASN A 27 -9.422 0.933 -30.211 1.00 0.69 C ATOM 939 O ASN A 27 -8.750 1.292 -29.264 1.00 0.71 O ATOM 940 CB ASN A 27 -11.341 1.765 -28.856 1.00 0.73 C ATOM 941 CG ASN A 27 -12.810 2.189 -28.877 1.00 0.81 C ATOM 942 OD1 ASN A 27 -13.696 1.368 -28.742 1.00 0.93 O ATOM 943 ND2 ASN A 27 -13.107 3.450 -29.039 1.00 0.87 N ATOM 0 H ASN A 27 -11.345 -0.911 -29.822 1.00 0.71 H new ATOM 0 HA ASN A 27 -11.197 1.823 -31.025 1.00 0.71 H new ATOM 0 HB2 ASN A 27 -11.176 1.040 -28.059 1.00 0.73 H new ATOM 0 HB3 ASN A 27 -10.710 2.627 -28.639 1.00 0.73 H new ATOM 0 HD21 ASN A 27 -14.083 3.746 -29.052 1.00 0.87 H new ATOM 0 HD22 ASN A 27 -12.363 4.139 -29.152 1.00 0.87 H new ATOM 950 N PRO A 28 -8.908 0.371 -31.283 1.00 0.72 N ATOM 951 CA PRO A 28 -7.454 0.131 -31.416 1.00 0.79 C ATOM 952 C PRO A 28 -6.690 1.464 -31.516 1.00 0.93 C ATOM 953 O PRO A 28 -5.478 1.473 -31.598 1.00 1.16 O ATOM 954 CB PRO A 28 -7.310 -0.676 -32.728 1.00 0.85 C ATOM 955 CG PRO A 28 -8.693 -0.653 -33.439 1.00 0.84 C ATOM 956 CD PRO A 28 -9.717 -0.085 -32.434 1.00 0.76 C ATOM 0 HA PRO A 28 -7.043 -0.398 -30.556 1.00 0.79 H new ATOM 0 HB2 PRO A 28 -6.542 -0.238 -33.366 1.00 0.85 H new ATOM 0 HB3 PRO A 28 -7.003 -1.700 -32.517 1.00 0.85 H new ATOM 0 HG2 PRO A 28 -8.653 -0.036 -34.337 1.00 0.84 H new ATOM 0 HG3 PRO A 28 -8.980 -1.656 -33.754 1.00 0.84 H new ATOM 0 HD2 PRO A 28 -10.283 0.738 -32.870 1.00 0.76 H new ATOM 0 HD3 PRO A 28 -10.439 -0.845 -32.133 1.00 0.76 H new ATOM 964 N ARG A 29 -7.382 2.583 -31.540 1.00 1.01 N ATOM 965 CA ARG A 29 -6.678 3.907 -31.672 1.00 1.20 C ATOM 966 C ARG A 29 -7.035 4.850 -30.527 1.00 0.99 C ATOM 967 O ARG A 29 -7.662 5.868 -30.740 1.00 1.05 O ATOM 968 CB ARG A 29 -7.115 4.589 -32.965 1.00 1.61 C ATOM 969 CG ARG A 29 -6.765 3.722 -34.173 1.00 1.97 C ATOM 970 CD ARG A 29 -7.517 4.253 -35.388 1.00 2.41 C ATOM 971 NE ARG A 29 -7.256 3.364 -36.562 1.00 2.89 N ATOM 972 CZ ARG A 29 -6.073 3.271 -37.097 1.00 3.29 C ATOM 973 NH1 ARG A 29 -5.113 4.068 -36.710 1.00 3.42 N ATOM 974 NH2 ARG A 29 -5.860 2.406 -38.049 1.00 4.04 N ATOM 0 H ARG A 29 -8.398 2.638 -31.474 1.00 1.01 H new ATOM 0 HA ARG A 29 -5.607 3.706 -31.662 1.00 1.20 H new ATOM 0 HB2 ARG A 29 -8.189 4.773 -32.941 1.00 1.61 H new ATOM 0 HB3 ARG A 29 -6.628 5.560 -33.054 1.00 1.61 H new ATOM 0 HG2 ARG A 29 -5.690 3.743 -34.355 1.00 1.97 H new ATOM 0 HG3 ARG A 29 -7.037 2.683 -33.984 1.00 1.97 H new ATOM 0 HD2 ARG A 29 -8.586 4.293 -35.179 1.00 2.41 H new ATOM 0 HD3 ARG A 29 -7.198 5.271 -35.611 1.00 2.41 H new ATOM 0 HE ARG A 29 -8.023 2.817 -36.953 1.00 2.89 H new ATOM 0 HH11 ARG A 29 -5.289 4.765 -35.987 1.00 3.42 H new ATOM 0 HH12 ARG A 29 -4.187 3.993 -37.131 1.00 3.42 H new ATOM 0 HH21 ARG A 29 -6.619 1.806 -38.372 1.00 4.04 H new ATOM 0 HH22 ARG A 29 -4.935 2.330 -38.471 1.00 4.04 H new ATOM 988 N MET A 30 -6.623 4.568 -29.326 1.00 0.88 N ATOM 989 CA MET A 30 -6.938 5.522 -28.229 1.00 0.85 C ATOM 990 C MET A 30 -5.922 6.659 -28.278 1.00 0.96 C ATOM 991 O MET A 30 -4.727 6.445 -28.230 1.00 1.10 O ATOM 992 CB MET A 30 -6.867 4.831 -26.858 1.00 0.93 C ATOM 993 CG MET A 30 -7.885 3.688 -26.780 1.00 0.99 C ATOM 994 SD MET A 30 -9.538 4.296 -27.205 1.00 1.38 S ATOM 995 CE MET A 30 -9.830 5.316 -25.748 1.00 1.36 C ATOM 0 H MET A 30 -6.094 3.738 -29.058 1.00 0.88 H new ATOM 0 HA MET A 30 -7.951 5.901 -28.363 1.00 0.85 H new ATOM 0 HB2 MET A 30 -5.862 4.443 -26.691 1.00 0.93 H new ATOM 0 HB3 MET A 30 -7.064 5.556 -26.068 1.00 0.93 H new ATOM 0 HG2 MET A 30 -7.597 2.887 -27.461 1.00 0.99 H new ATOM 0 HG3 MET A 30 -7.892 3.265 -25.776 1.00 0.99 H new ATOM 0 HE1 MET A 30 -10.896 5.522 -25.656 1.00 1.36 H new ATOM 0 HE2 MET A 30 -9.484 4.788 -24.859 1.00 1.36 H new ATOM 0 HE3 MET A 30 -9.287 6.256 -25.847 1.00 1.36 H new ATOM 1005 N ARG A 31 -6.396 7.868 -28.343 1.00 1.05 N ATOM 1006 CA ARG A 31 -5.474 9.035 -28.362 1.00 1.24 C ATOM 1007 C ARG A 31 -4.729 9.087 -27.035 1.00 1.22 C ATOM 1008 O ARG A 31 -3.549 8.800 -26.945 1.00 1.97 O ATOM 1009 CB ARG A 31 -6.293 10.337 -28.488 1.00 1.48 C ATOM 1010 CG ARG A 31 -6.599 10.742 -29.942 1.00 1.70 C ATOM 1011 CD ARG A 31 -6.965 9.585 -30.864 1.00 1.94 C ATOM 1012 NE ARG A 31 -7.009 10.236 -32.223 1.00 2.76 N ATOM 1013 CZ ARG A 31 -8.084 10.309 -32.932 1.00 3.37 C ATOM 1014 NH1 ARG A 31 -9.073 9.486 -32.723 1.00 3.49 N ATOM 1015 NH2 ARG A 31 -8.149 11.174 -33.910 1.00 4.32 N ATOM 0 H ARG A 31 -7.388 8.101 -28.384 1.00 1.05 H new ATOM 0 HA ARG A 31 -4.784 8.938 -29.200 1.00 1.24 H new ATOM 0 HB2 ARG A 31 -7.233 10.217 -27.949 1.00 1.48 H new ATOM 0 HB3 ARG A 31 -5.748 11.146 -28.003 1.00 1.48 H new ATOM 0 HG2 ARG A 31 -7.419 11.460 -29.939 1.00 1.70 H new ATOM 0 HG3 ARG A 31 -5.729 11.254 -30.353 1.00 1.70 H new ATOM 0 HD2 ARG A 31 -6.225 8.786 -30.823 1.00 1.94 H new ATOM 0 HD3 ARG A 31 -7.925 9.144 -30.596 1.00 1.94 H new ATOM 0 HE ARG A 31 -6.150 10.637 -32.599 1.00 2.76 H new ATOM 0 HH11 ARG A 31 -9.001 8.777 -31.994 1.00 3.49 H new ATOM 0 HH12 ARG A 31 -9.919 9.551 -33.289 1.00 3.49 H new ATOM 0 HH21 ARG A 31 -7.354 11.783 -34.106 1.00 4.32 H new ATOM 0 HH22 ARG A 31 -8.994 11.240 -34.477 1.00 4.32 H new ATOM 1029 N ASN A 32 -5.418 9.504 -26.021 1.00 0.94 N ATOM 1030 CA ASN A 32 -4.796 9.648 -24.686 1.00 0.87 C ATOM 1031 C ASN A 32 -4.827 8.333 -23.919 1.00 0.76 C ATOM 1032 O ASN A 32 -5.132 7.281 -24.447 1.00 0.87 O ATOM 1033 CB ASN A 32 -5.595 10.684 -23.908 1.00 0.98 C ATOM 1034 CG ASN A 32 -5.386 12.059 -24.531 1.00 1.86 C ATOM 1035 OD1 ASN A 32 -4.687 12.191 -25.512 1.00 2.61 O ATOM 1036 ND2 ASN A 32 -5.972 13.095 -24.005 1.00 2.60 N ATOM 0 H ASN A 32 -6.406 9.756 -26.061 1.00 0.94 H new ATOM 0 HA ASN A 32 -3.756 9.950 -24.807 1.00 0.87 H new ATOM 0 HB2 ASN A 32 -6.654 10.425 -23.918 1.00 0.98 H new ATOM 0 HB3 ASN A 32 -5.280 10.694 -22.865 1.00 0.98 H new ATOM 0 HD21 ASN A 32 -5.843 14.018 -24.418 1.00 2.60 H new ATOM 0 HD22 ASN A 32 -6.560 12.984 -23.179 1.00 2.60 H new ATOM 1043 N SER A 33 -4.522 8.412 -22.655 1.00 0.65 N ATOM 1044 CA SER A 33 -4.534 7.210 -21.786 1.00 0.57 C ATOM 1045 C SER A 33 -5.927 7.099 -21.156 1.00 0.50 C ATOM 1046 O SER A 33 -6.084 7.156 -19.953 1.00 0.51 O ATOM 1047 CB SER A 33 -3.465 7.383 -20.697 1.00 0.61 C ATOM 1048 OG SER A 33 -2.225 6.886 -21.178 1.00 0.76 O ATOM 0 H SER A 33 -4.260 9.277 -22.181 1.00 0.65 H new ATOM 0 HA SER A 33 -4.316 6.306 -22.354 1.00 0.57 H new ATOM 0 HB2 SER A 33 -3.369 8.435 -20.428 1.00 0.61 H new ATOM 0 HB3 SER A 33 -3.759 6.849 -19.794 1.00 0.61 H new ATOM 0 HG SER A 33 -1.504 7.497 -20.918 1.00 0.76 H new ATOM 1054 N GLU A 34 -6.942 6.953 -21.968 1.00 0.51 N ATOM 1055 CA GLU A 34 -8.326 6.854 -21.424 1.00 0.51 C ATOM 1056 C GLU A 34 -8.572 5.430 -20.931 1.00 0.44 C ATOM 1057 O GLU A 34 -9.111 5.216 -19.864 1.00 0.41 O ATOM 1058 CB GLU A 34 -9.336 7.204 -22.522 1.00 0.61 C ATOM 1059 CG GLU A 34 -9.082 8.634 -23.022 1.00 0.72 C ATOM 1060 CD GLU A 34 -10.338 9.176 -23.709 1.00 1.59 C ATOM 1061 OE1 GLU A 34 -10.796 8.548 -24.648 1.00 2.34 O ATOM 1062 OE2 GLU A 34 -10.822 10.211 -23.283 1.00 2.30 O ATOM 0 H GLU A 34 -6.871 6.898 -22.984 1.00 0.51 H new ATOM 0 HA GLU A 34 -8.445 7.551 -20.595 1.00 0.51 H new ATOM 0 HB2 GLU A 34 -9.249 6.499 -23.348 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -10.352 7.118 -22.136 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -8.808 9.278 -22.186 1.00 0.72 H new ATOM 0 HG3 GLU A 34 -8.244 8.642 -23.719 1.00 0.72 H new ATOM 1069 N ILE A 35 -8.163 4.453 -21.691 1.00 0.43 N ATOM 1070 CA ILE A 35 -8.353 3.042 -21.256 1.00 0.38 C ATOM 1071 C ILE A 35 -7.861 2.897 -19.811 1.00 0.35 C ATOM 1072 O ILE A 35 -8.158 1.933 -19.133 1.00 0.35 O ATOM 1073 CB ILE A 35 -7.581 2.118 -22.228 1.00 0.40 C ATOM 1074 CG1 ILE A 35 -7.258 0.749 -21.567 1.00 0.39 C ATOM 1075 CG2 ILE A 35 -6.300 2.819 -22.729 1.00 0.44 C ATOM 1076 CD1 ILE A 35 -5.989 0.796 -20.666 1.00 0.40 C ATOM 0 H ILE A 35 -7.705 4.571 -22.595 1.00 0.43 H new ATOM 0 HA ILE A 35 -9.405 2.758 -21.280 1.00 0.38 H new ATOM 0 HB ILE A 35 -8.218 1.917 -23.090 1.00 0.40 H new ATOM 0 HG12 ILE A 35 -8.111 0.430 -20.968 1.00 0.39 H new ATOM 0 HG13 ILE A 35 -7.117 -0.001 -22.346 1.00 0.39 H new ATOM 0 HG21 ILE A 35 -5.767 2.158 -23.412 1.00 0.44 H new ATOM 0 HG22 ILE A 35 -6.568 3.738 -23.250 1.00 0.44 H new ATOM 0 HG23 ILE A 35 -5.659 3.057 -21.880 1.00 0.44 H new ATOM 0 HD11 ILE A 35 -5.814 -0.189 -20.232 1.00 0.40 H new ATOM 0 HD12 ILE A 35 -5.127 1.086 -21.267 1.00 0.40 H new ATOM 0 HD13 ILE A 35 -6.136 1.523 -19.868 1.00 0.40 H new ATOM 1088 N SER A 36 -7.111 3.855 -19.341 1.00 0.36 N ATOM 1089 CA SER A 36 -6.588 3.791 -17.948 1.00 0.37 C ATOM 1090 C SER A 36 -7.670 4.248 -16.959 1.00 0.36 C ATOM 1091 O SER A 36 -8.090 3.500 -16.096 1.00 0.35 O ATOM 1092 CB SER A 36 -5.370 4.709 -17.836 1.00 0.44 C ATOM 1093 OG SER A 36 -4.351 4.240 -18.709 1.00 0.54 O ATOM 0 H SER A 36 -6.836 4.685 -19.866 1.00 0.36 H new ATOM 0 HA SER A 36 -6.305 2.765 -17.710 1.00 0.37 H new ATOM 0 HB2 SER A 36 -5.645 5.732 -18.094 1.00 0.44 H new ATOM 0 HB3 SER A 36 -5.006 4.727 -16.809 1.00 0.44 H new ATOM 0 HG SER A 36 -3.478 4.341 -18.276 1.00 0.54 H new ATOM 1099 N LYS A 37 -8.125 5.466 -17.078 1.00 0.41 N ATOM 1100 CA LYS A 37 -9.178 5.966 -16.144 1.00 0.44 C ATOM 1101 C LYS A 37 -10.467 5.175 -16.370 1.00 0.40 C ATOM 1102 O LYS A 37 -11.298 5.056 -15.491 1.00 0.42 O ATOM 1103 CB LYS A 37 -9.463 7.453 -16.404 1.00 0.53 C ATOM 1104 CG LYS A 37 -8.245 8.315 -16.032 1.00 0.60 C ATOM 1105 CD LYS A 37 -7.053 7.978 -16.948 1.00 0.72 C ATOM 1106 CE LYS A 37 -6.120 9.194 -17.083 1.00 1.01 C ATOM 1107 NZ LYS A 37 -6.121 9.980 -15.817 1.00 1.75 N ATOM 0 H LYS A 37 -7.814 6.137 -17.781 1.00 0.41 H new ATOM 0 HA LYS A 37 -8.826 5.840 -15.120 1.00 0.44 H new ATOM 0 HB2 LYS A 37 -9.712 7.602 -17.455 1.00 0.53 H new ATOM 0 HB3 LYS A 37 -10.329 7.769 -15.823 1.00 0.53 H new ATOM 0 HG2 LYS A 37 -8.496 9.372 -16.125 1.00 0.60 H new ATOM 0 HG3 LYS A 37 -7.973 8.142 -14.991 1.00 0.60 H new ATOM 0 HD2 LYS A 37 -6.501 7.131 -16.540 1.00 0.72 H new ATOM 0 HD3 LYS A 37 -7.415 7.678 -17.931 1.00 0.72 H new ATOM 0 HE2 LYS A 37 -5.108 8.862 -17.314 1.00 1.01 H new ATOM 0 HE3 LYS A 37 -6.446 9.823 -17.911 1.00 1.01 H new ATOM 0 HZ1 LYS A 37 -5.254 10.552 -15.763 1.00 1.75 H new ATOM 0 HZ2 LYS A 37 -6.951 10.607 -15.798 1.00 1.75 H new ATOM 0 HZ3 LYS A 37 -6.159 9.331 -15.005 1.00 1.75 H new ATOM 1121 N GLN A 38 -10.648 4.645 -17.550 1.00 0.37 N ATOM 1122 CA GLN A 38 -11.891 3.879 -17.830 1.00 0.37 C ATOM 1123 C GLN A 38 -11.913 2.608 -16.987 1.00 0.35 C ATOM 1124 O GLN A 38 -12.903 2.284 -16.369 1.00 0.37 O ATOM 1125 CB GLN A 38 -11.958 3.511 -19.315 1.00 0.38 C ATOM 1126 CG GLN A 38 -12.259 4.761 -20.150 1.00 0.44 C ATOM 1127 CD GLN A 38 -13.750 5.107 -20.057 1.00 0.58 C ATOM 1128 OE1 GLN A 38 -14.428 4.704 -19.133 1.00 1.23 O ATOM 1129 NE2 GLN A 38 -14.293 5.844 -20.986 1.00 1.28 N ATOM 0 H GLN A 38 -9.991 4.710 -18.327 1.00 0.37 H new ATOM 0 HA GLN A 38 -12.752 4.497 -17.577 1.00 0.37 H new ATOM 0 HB2 GLN A 38 -11.013 3.070 -19.632 1.00 0.38 H new ATOM 0 HB3 GLN A 38 -12.731 2.760 -19.478 1.00 0.38 H new ATOM 0 HG2 GLN A 38 -11.660 5.599 -19.794 1.00 0.44 H new ATOM 0 HG3 GLN A 38 -11.981 4.589 -21.190 1.00 0.44 H new ATOM 0 HE21 GLN A 38 -13.727 6.184 -21.763 1.00 1.28 H new ATOM 0 HE22 GLN A 38 -15.284 6.080 -20.935 1.00 1.28 H new ATOM 1138 N LEU A 39 -10.837 1.883 -16.941 1.00 0.34 N ATOM 1139 CA LEU A 39 -10.843 0.649 -16.114 1.00 0.35 C ATOM 1140 C LEU A 39 -11.161 1.036 -14.674 1.00 0.37 C ATOM 1141 O LEU A 39 -11.830 0.318 -13.959 1.00 0.40 O ATOM 1142 CB LEU A 39 -9.477 -0.037 -16.177 1.00 0.36 C ATOM 1143 CG LEU A 39 -9.294 -0.738 -17.534 1.00 0.38 C ATOM 1144 CD1 LEU A 39 -7.805 -0.986 -17.791 1.00 0.41 C ATOM 1145 CD2 LEU A 39 -10.012 -2.092 -17.547 1.00 0.43 C ATOM 0 H LEU A 39 -9.966 2.085 -17.431 1.00 0.34 H new ATOM 0 HA LEU A 39 -11.594 -0.045 -16.492 1.00 0.35 H new ATOM 0 HB2 LEU A 39 -8.686 0.698 -16.030 1.00 0.36 H new ATOM 0 HB3 LEU A 39 -9.390 -0.764 -15.370 1.00 0.36 H new ATOM 0 HG LEU A 39 -9.715 -0.093 -18.306 1.00 0.38 H new ATOM 0 HD11 LEU A 39 -7.680 -1.483 -18.753 1.00 0.41 H new ATOM 0 HD12 LEU A 39 -7.274 -0.034 -17.802 1.00 0.41 H new ATOM 0 HD13 LEU A 39 -7.400 -1.618 -17.001 1.00 0.41 H new ATOM 0 HD21 LEU A 39 -9.869 -2.570 -18.516 1.00 0.43 H new ATOM 0 HD22 LEU A 39 -9.601 -2.729 -16.764 1.00 0.43 H new ATOM 0 HD23 LEU A 39 -11.077 -1.941 -17.370 1.00 0.43 H new ATOM 1157 N GLY A 40 -10.705 2.179 -14.242 1.00 0.38 N ATOM 1158 CA GLY A 40 -11.010 2.609 -12.853 1.00 0.41 C ATOM 1159 C GLY A 40 -12.526 2.559 -12.655 1.00 0.42 C ATOM 1160 O GLY A 40 -13.015 2.130 -11.630 1.00 0.44 O ATOM 0 H GLY A 40 -10.139 2.828 -14.788 1.00 0.38 H new ATOM 0 HA2 GLY A 40 -10.512 1.957 -12.136 1.00 0.41 H new ATOM 0 HA3 GLY A 40 -10.638 3.618 -12.678 1.00 0.41 H new ATOM 1164 N TYR A 41 -13.274 2.980 -13.643 1.00 0.42 N ATOM 1165 CA TYR A 41 -14.760 2.941 -13.523 1.00 0.45 C ATOM 1166 C TYR A 41 -15.212 1.483 -13.356 1.00 0.44 C ATOM 1167 O TYR A 41 -16.106 1.185 -12.589 1.00 0.47 O ATOM 1168 CB TYR A 41 -15.398 3.555 -14.781 1.00 0.46 C ATOM 1169 CG TYR A 41 -16.864 3.196 -14.839 1.00 0.50 C ATOM 1170 CD1 TYR A 41 -17.821 4.021 -14.220 1.00 0.59 C ATOM 1171 CD2 TYR A 41 -17.267 2.023 -15.506 1.00 0.53 C ATOM 1172 CE1 TYR A 41 -19.184 3.674 -14.267 1.00 0.65 C ATOM 1173 CE2 TYR A 41 -18.631 1.677 -15.554 1.00 0.59 C ATOM 1174 CZ TYR A 41 -19.590 2.501 -14.936 1.00 0.63 C ATOM 1175 OH TYR A 41 -20.926 2.160 -14.981 1.00 0.72 O ATOM 0 H TYR A 41 -12.919 3.348 -14.526 1.00 0.42 H new ATOM 0 HA TYR A 41 -15.076 3.518 -12.654 1.00 0.45 H new ATOM 0 HB2 TYR A 41 -15.280 4.639 -14.768 1.00 0.46 H new ATOM 0 HB3 TYR A 41 -14.889 3.190 -15.673 1.00 0.46 H new ATOM 0 HD1 TYR A 41 -17.510 4.920 -13.709 1.00 0.59 H new ATOM 0 HD2 TYR A 41 -16.531 1.390 -15.980 1.00 0.53 H new ATOM 0 HE1 TYR A 41 -19.919 4.306 -13.791 1.00 0.65 H new ATOM 0 HE2 TYR A 41 -18.942 0.778 -16.066 1.00 0.59 H new ATOM 0 HH TYR A 41 -21.034 1.324 -15.481 1.00 0.72 H new ATOM 1185 N GLN A 42 -14.604 0.573 -14.071 1.00 0.41 N ATOM 1186 CA GLN A 42 -15.001 -0.861 -13.954 1.00 0.42 C ATOM 1187 C GLN A 42 -14.724 -1.345 -12.530 1.00 0.43 C ATOM 1188 O GLN A 42 -15.438 -2.155 -11.986 1.00 0.49 O ATOM 1189 CB GLN A 42 -14.176 -1.698 -14.946 1.00 0.41 C ATOM 1190 CG GLN A 42 -14.776 -1.597 -16.361 1.00 0.43 C ATOM 1191 CD GLN A 42 -15.864 -2.660 -16.542 1.00 0.48 C ATOM 1192 OE1 GLN A 42 -17.035 -2.389 -16.367 1.00 0.59 O ATOM 1193 NE2 GLN A 42 -15.516 -3.870 -16.889 1.00 0.50 N ATOM 0 H GLN A 42 -13.849 0.761 -14.731 1.00 0.41 H new ATOM 0 HA GLN A 42 -16.062 -0.969 -14.178 1.00 0.42 H new ATOM 0 HB2 GLN A 42 -13.144 -1.349 -14.956 1.00 0.41 H new ATOM 0 HB3 GLN A 42 -14.157 -2.740 -14.625 1.00 0.41 H new ATOM 0 HG2 GLN A 42 -15.196 -0.603 -16.517 1.00 0.43 H new ATOM 0 HG3 GLN A 42 -13.994 -1.733 -17.108 1.00 0.43 H new ATOM 0 HE21 GLN A 42 -14.532 -4.095 -17.035 1.00 0.50 H new ATOM 0 HE22 GLN A 42 -16.228 -4.590 -17.014 1.00 0.50 H new ATOM 1202 N TRP A 43 -13.680 -0.856 -11.931 1.00 0.41 N ATOM 1203 CA TRP A 43 -13.332 -1.278 -10.545 1.00 0.43 C ATOM 1204 C TRP A 43 -14.449 -0.887 -9.579 1.00 0.47 C ATOM 1205 O TRP A 43 -14.838 -1.670 -8.735 1.00 0.50 O ATOM 1206 CB TRP A 43 -12.015 -0.618 -10.172 1.00 0.43 C ATOM 1207 CG TRP A 43 -10.933 -0.995 -11.162 1.00 0.41 C ATOM 1208 CD1 TRP A 43 -9.720 -0.395 -11.201 1.00 0.42 C ATOM 1209 CD2 TRP A 43 -10.908 -2.020 -12.237 1.00 0.39 C ATOM 1210 NE1 TRP A 43 -8.958 -0.968 -12.200 1.00 0.41 N ATOM 1211 CE2 TRP A 43 -9.629 -1.971 -12.858 1.00 0.39 C ATOM 1212 CE3 TRP A 43 -11.834 -2.984 -12.739 1.00 0.39 C ATOM 1213 CZ2 TRP A 43 -9.284 -2.831 -13.911 1.00 0.39 C ATOM 1214 CZ3 TRP A 43 -11.484 -3.843 -13.795 1.00 0.39 C ATOM 1215 CH2 TRP A 43 -10.212 -3.770 -14.377 1.00 0.39 C ATOM 0 H TRP A 43 -13.044 -0.174 -12.344 1.00 0.41 H new ATOM 0 HA TRP A 43 -13.223 -2.361 -10.487 1.00 0.43 H new ATOM 0 HB2 TRP A 43 -12.137 0.465 -10.153 1.00 0.43 H new ATOM 0 HB3 TRP A 43 -11.720 -0.923 -9.168 1.00 0.43 H new ATOM 0 HD1 TRP A 43 -9.399 0.406 -10.552 1.00 0.42 H new ATOM 0 HE1 TRP A 43 -8.006 -0.680 -12.424 1.00 0.41 H new ATOM 0 HE3 TRP A 43 -12.818 -3.054 -12.301 1.00 0.39 H new ATOM 0 HZ2 TRP A 43 -8.304 -2.769 -14.361 1.00 0.39 H new ATOM 0 HZ3 TRP A 43 -12.200 -4.564 -14.160 1.00 0.39 H new ATOM 0 HH2 TRP A 43 -9.948 -4.437 -15.184 1.00 0.39 H new ATOM 1226 N LYS A 44 -14.993 0.288 -9.696 1.00 0.50 N ATOM 1227 CA LYS A 44 -16.104 0.660 -8.777 1.00 0.56 C ATOM 1228 C LYS A 44 -17.326 -0.211 -9.116 1.00 0.57 C ATOM 1229 O LYS A 44 -18.296 -0.258 -8.387 1.00 0.64 O ATOM 1230 CB LYS A 44 -16.425 2.156 -8.927 1.00 0.59 C ATOM 1231 CG LYS A 44 -15.240 3.017 -8.381 1.00 0.61 C ATOM 1232 CD LYS A 44 -14.671 3.931 -9.490 1.00 0.62 C ATOM 1233 CE LYS A 44 -13.275 4.470 -9.111 1.00 0.63 C ATOM 1234 NZ LYS A 44 -13.417 5.771 -8.398 1.00 1.38 N ATOM 0 H LYS A 44 -14.724 0.999 -10.376 1.00 0.50 H new ATOM 0 HA LYS A 44 -15.819 0.486 -7.739 1.00 0.56 H new ATOM 0 HB2 LYS A 44 -16.605 2.394 -9.975 1.00 0.59 H new ATOM 0 HB3 LYS A 44 -17.339 2.396 -8.384 1.00 0.59 H new ATOM 0 HG2 LYS A 44 -15.581 3.624 -7.542 1.00 0.61 H new ATOM 0 HG3 LYS A 44 -14.454 2.364 -8.002 1.00 0.61 H new ATOM 0 HD2 LYS A 44 -14.607 3.375 -10.425 1.00 0.62 H new ATOM 0 HD3 LYS A 44 -15.351 4.765 -9.661 1.00 0.62 H new ATOM 0 HE2 LYS A 44 -12.757 3.751 -8.477 1.00 0.63 H new ATOM 0 HE3 LYS A 44 -12.669 4.600 -10.007 1.00 0.63 H new ATOM 0 HZ1 LYS A 44 -12.475 6.132 -8.144 1.00 1.38 H new ATOM 0 HZ2 LYS A 44 -13.895 6.456 -9.018 1.00 1.38 H new ATOM 0 HZ3 LYS A 44 -13.980 5.634 -7.534 1.00 1.38 H new ATOM 1248 N MET A 45 -17.256 -0.926 -10.215 1.00 0.53 N ATOM 1249 CA MET A 45 -18.372 -1.840 -10.626 1.00 0.55 C ATOM 1250 C MET A 45 -17.755 -3.054 -11.321 1.00 0.52 C ATOM 1251 O MET A 45 -17.848 -3.209 -12.523 1.00 0.50 O ATOM 1252 CB MET A 45 -19.316 -1.134 -11.607 1.00 0.57 C ATOM 1253 CG MET A 45 -19.949 0.095 -10.948 1.00 0.64 C ATOM 1254 SD MET A 45 -18.827 1.501 -11.119 1.00 0.72 S ATOM 1255 CE MET A 45 -20.012 2.814 -10.732 1.00 1.00 C ATOM 0 H MET A 45 -16.461 -0.915 -10.854 1.00 0.53 H new ATOM 0 HA MET A 45 -18.943 -2.136 -9.746 1.00 0.55 H new ATOM 0 HB2 MET A 45 -18.766 -0.834 -12.499 1.00 0.57 H new ATOM 0 HB3 MET A 45 -20.096 -1.823 -11.931 1.00 0.57 H new ATOM 0 HG2 MET A 45 -20.908 0.320 -11.415 1.00 0.64 H new ATOM 0 HG3 MET A 45 -20.146 -0.103 -9.894 1.00 0.64 H new ATOM 0 HE1 MET A 45 -19.513 3.781 -10.783 1.00 1.00 H new ATOM 0 HE2 MET A 45 -20.830 2.790 -11.452 1.00 1.00 H new ATOM 0 HE3 MET A 45 -20.408 2.662 -9.728 1.00 1.00 H new ATOM 1265 N LEU A 46 -17.095 -3.896 -10.577 1.00 0.53 N ATOM 1266 CA LEU A 46 -16.430 -5.086 -11.185 1.00 0.52 C ATOM 1267 C LEU A 46 -17.465 -6.004 -11.845 1.00 0.53 C ATOM 1268 O LEU A 46 -18.476 -6.341 -11.262 1.00 0.58 O ATOM 1269 CB LEU A 46 -15.713 -5.864 -10.081 1.00 0.55 C ATOM 1270 CG LEU A 46 -14.490 -5.081 -9.563 1.00 0.53 C ATOM 1271 CD1 LEU A 46 -14.151 -5.535 -8.143 1.00 0.61 C ATOM 1272 CD2 LEU A 46 -13.277 -5.368 -10.454 1.00 0.49 C ATOM 0 H LEU A 46 -16.986 -3.812 -9.566 1.00 0.53 H new ATOM 0 HA LEU A 46 -15.723 -4.749 -11.943 1.00 0.52 H new ATOM 0 HB2 LEU A 46 -16.402 -6.055 -9.259 1.00 0.55 H new ATOM 0 HB3 LEU A 46 -15.394 -6.834 -10.462 1.00 0.55 H new ATOM 0 HG LEU A 46 -14.726 -4.017 -9.575 1.00 0.53 H new ATOM 0 HD11 LEU A 46 -13.286 -4.980 -7.780 1.00 0.61 H new ATOM 0 HD12 LEU A 46 -15.003 -5.349 -7.488 1.00 0.61 H new ATOM 0 HD13 LEU A 46 -13.922 -6.601 -8.147 1.00 0.61 H new ATOM 0 HD21 LEU A 46 -12.415 -4.813 -10.085 1.00 0.49 H new ATOM 0 HD22 LEU A 46 -13.056 -6.435 -10.436 1.00 0.49 H new ATOM 0 HD23 LEU A 46 -13.496 -5.060 -11.477 1.00 0.49 H new ATOM 1284 N THR A 47 -17.205 -6.418 -13.059 1.00 0.51 N ATOM 1285 CA THR A 47 -18.153 -7.328 -13.767 1.00 0.54 C ATOM 1286 C THR A 47 -17.899 -8.775 -13.318 1.00 0.56 C ATOM 1287 O THR A 47 -16.830 -9.314 -13.520 1.00 0.57 O ATOM 1288 CB THR A 47 -17.927 -7.209 -15.278 1.00 0.54 C ATOM 1289 OG1 THR A 47 -16.589 -7.572 -15.587 1.00 0.55 O ATOM 1290 CG2 THR A 47 -18.181 -5.766 -15.721 1.00 0.60 C ATOM 0 H THR A 47 -16.373 -6.163 -13.592 1.00 0.51 H new ATOM 0 HA THR A 47 -19.180 -7.052 -13.529 1.00 0.54 H new ATOM 0 HB THR A 47 -18.613 -7.875 -15.801 1.00 0.54 H new ATOM 0 HG1 THR A 47 -16.500 -7.702 -16.554 1.00 0.55 H new ATOM 0 HG21 THR A 47 -18.020 -5.682 -16.796 1.00 0.60 H new ATOM 0 HG22 THR A 47 -19.208 -5.488 -15.485 1.00 0.60 H new ATOM 0 HG23 THR A 47 -17.496 -5.099 -15.198 1.00 0.60 H new ATOM 1298 N GLU A 48 -18.870 -9.402 -12.709 1.00 0.63 N ATOM 1299 CA GLU A 48 -18.684 -10.811 -12.238 1.00 0.67 C ATOM 1300 C GLU A 48 -18.337 -11.727 -13.414 1.00 0.66 C ATOM 1301 O GLU A 48 -17.692 -12.744 -13.249 1.00 0.66 O ATOM 1302 CB GLU A 48 -19.976 -11.298 -11.578 1.00 0.79 C ATOM 1303 CG GLU A 48 -20.391 -10.314 -10.481 1.00 0.84 C ATOM 1304 CD GLU A 48 -21.681 -10.802 -9.819 1.00 0.97 C ATOM 1305 OE1 GLU A 48 -22.068 -11.929 -10.079 1.00 1.61 O ATOM 1306 OE2 GLU A 48 -22.260 -10.040 -9.062 1.00 1.36 O ATOM 0 H GLU A 48 -19.787 -9.000 -12.516 1.00 0.63 H new ATOM 0 HA GLU A 48 -17.865 -10.838 -11.519 1.00 0.67 H new ATOM 0 HB2 GLU A 48 -20.767 -11.384 -12.323 1.00 0.79 H new ATOM 0 HB3 GLU A 48 -19.828 -12.291 -11.154 1.00 0.79 H new ATOM 0 HG2 GLU A 48 -19.599 -10.227 -9.738 1.00 0.84 H new ATOM 0 HG3 GLU A 48 -20.541 -9.321 -10.906 1.00 0.84 H new ATOM 1313 N ALA A 49 -18.763 -11.384 -14.594 1.00 0.70 N ATOM 1314 CA ALA A 49 -18.460 -12.244 -15.774 1.00 0.74 C ATOM 1315 C ALA A 49 -16.945 -12.377 -15.947 1.00 0.65 C ATOM 1316 O ALA A 49 -16.459 -13.320 -16.538 1.00 0.68 O ATOM 1317 CB ALA A 49 -19.045 -11.589 -17.025 1.00 0.81 C ATOM 0 H ALA A 49 -19.308 -10.546 -14.796 1.00 0.70 H new ATOM 0 HA ALA A 49 -18.895 -13.232 -15.623 1.00 0.74 H new ATOM 0 HB1 ALA A 49 -18.830 -12.209 -17.895 1.00 0.81 H new ATOM 0 HB2 ALA A 49 -20.124 -11.486 -16.911 1.00 0.81 H new ATOM 0 HB3 ALA A 49 -18.599 -10.604 -17.162 1.00 0.81 H new ATOM 1323 N GLU A 50 -16.203 -11.422 -15.459 1.00 0.60 N ATOM 1324 CA GLU A 50 -14.715 -11.452 -15.612 1.00 0.55 C ATOM 1325 C GLU A 50 -14.038 -11.904 -14.305 1.00 0.51 C ATOM 1326 O GLU A 50 -12.920 -12.389 -14.313 1.00 0.50 O ATOM 1327 CB GLU A 50 -14.246 -10.036 -15.969 1.00 0.55 C ATOM 1328 CG GLU A 50 -14.467 -9.776 -17.462 1.00 0.64 C ATOM 1329 CD GLU A 50 -15.959 -9.886 -17.785 1.00 0.72 C ATOM 1330 OE1 GLU A 50 -16.647 -8.886 -17.658 1.00 1.30 O ATOM 1331 OE2 GLU A 50 -16.388 -10.969 -18.151 1.00 1.26 O ATOM 0 H GLU A 50 -16.565 -10.612 -14.955 1.00 0.60 H new ATOM 0 HA GLU A 50 -14.444 -12.160 -16.395 1.00 0.55 H new ATOM 0 HB2 GLU A 50 -14.794 -9.302 -15.378 1.00 0.55 H new ATOM 0 HB3 GLU A 50 -13.191 -9.920 -15.723 1.00 0.55 H new ATOM 0 HG2 GLU A 50 -14.099 -8.785 -17.728 1.00 0.64 H new ATOM 0 HG3 GLU A 50 -13.902 -10.495 -18.055 1.00 0.64 H new ATOM 1338 N LYS A 51 -14.685 -11.721 -13.184 1.00 0.52 N ATOM 1339 CA LYS A 51 -14.050 -12.103 -11.884 1.00 0.54 C ATOM 1340 C LYS A 51 -13.922 -13.622 -11.740 1.00 0.56 C ATOM 1341 O LYS A 51 -12.861 -14.188 -11.893 1.00 0.57 O ATOM 1342 CB LYS A 51 -14.915 -11.612 -10.725 1.00 0.62 C ATOM 1343 CG LYS A 51 -15.049 -10.088 -10.750 1.00 0.65 C ATOM 1344 CD LYS A 51 -16.001 -9.644 -9.616 1.00 0.83 C ATOM 1345 CE LYS A 51 -15.258 -9.558 -8.262 1.00 1.25 C ATOM 1346 NZ LYS A 51 -15.989 -10.381 -7.261 1.00 1.86 N ATOM 0 H LYS A 51 -15.622 -11.325 -13.110 1.00 0.52 H new ATOM 0 HA LYS A 51 -13.059 -11.649 -11.867 1.00 0.54 H new ATOM 0 HB2 LYS A 51 -15.903 -12.069 -10.785 1.00 0.62 H new ATOM 0 HB3 LYS A 51 -14.475 -11.927 -9.779 1.00 0.62 H new ATOM 0 HG2 LYS A 51 -14.071 -9.623 -10.624 1.00 0.65 H new ATOM 0 HG3 LYS A 51 -15.436 -9.761 -11.715 1.00 0.65 H new ATOM 0 HD2 LYS A 51 -16.432 -8.673 -9.859 1.00 0.83 H new ATOM 0 HD3 LYS A 51 -16.828 -10.349 -9.535 1.00 0.83 H new ATOM 0 HE2 LYS A 51 -14.234 -9.916 -8.370 1.00 1.25 H new ATOM 0 HE3 LYS A 51 -15.200 -8.522 -7.929 1.00 1.25 H new ATOM 0 HZ1 LYS A 51 -15.498 -10.331 -6.345 1.00 1.86 H new ATOM 0 HZ2 LYS A 51 -16.958 -10.019 -7.155 1.00 1.86 H new ATOM 0 HZ3 LYS A 51 -16.022 -11.370 -7.582 1.00 1.86 H new ATOM 1360 N TRP A 52 -14.995 -14.276 -11.399 1.00 0.60 N ATOM 1361 CA TRP A 52 -14.946 -15.751 -11.180 1.00 0.64 C ATOM 1362 C TRP A 52 -14.006 -16.489 -12.170 1.00 0.62 C ATOM 1363 O TRP A 52 -13.134 -17.198 -11.713 1.00 0.63 O ATOM 1364 CB TRP A 52 -16.363 -16.341 -11.201 1.00 0.73 C ATOM 1365 CG TRP A 52 -16.283 -17.825 -11.036 1.00 0.90 C ATOM 1366 CD1 TRP A 52 -15.685 -18.452 -9.996 1.00 1.05 C ATOM 1367 CD2 TRP A 52 -16.800 -18.874 -11.905 1.00 1.05 C ATOM 1368 NE1 TRP A 52 -15.801 -19.819 -10.170 1.00 1.22 N ATOM 1369 CE2 TRP A 52 -16.477 -20.131 -11.327 1.00 1.22 C ATOM 1370 CE3 TRP A 52 -17.511 -18.865 -13.129 1.00 1.14 C ATOM 1371 CZ2 TRP A 52 -16.844 -21.334 -11.935 1.00 1.41 C ATOM 1372 CZ3 TRP A 52 -17.885 -20.078 -13.746 1.00 1.37 C ATOM 1373 CH2 TRP A 52 -17.550 -21.312 -13.149 1.00 1.48 C ATOM 0 H TRP A 52 -15.912 -13.851 -11.261 1.00 0.60 H new ATOM 0 HA TRP A 52 -14.513 -15.910 -10.193 1.00 0.64 H new ATOM 0 HB2 TRP A 52 -16.962 -15.906 -10.401 1.00 0.73 H new ATOM 0 HB3 TRP A 52 -16.858 -16.094 -12.140 1.00 0.73 H new ATOM 0 HD1 TRP A 52 -15.197 -17.964 -9.165 1.00 1.05 H new ATOM 0 HE1 TRP A 52 -15.430 -20.512 -9.520 1.00 1.22 H new ATOM 0 HE3 TRP A 52 -17.769 -17.925 -13.593 1.00 1.14 H new ATOM 0 HZ2 TRP A 52 -16.586 -22.276 -11.474 1.00 1.41 H new ATOM 0 HZ3 TRP A 52 -18.430 -20.062 -14.678 1.00 1.37 H new ATOM 0 HH2 TRP A 52 -17.836 -22.238 -13.625 1.00 1.48 H new ATOM 1384 N PRO A 53 -14.173 -16.348 -13.477 1.00 0.61 N ATOM 1385 CA PRO A 53 -13.297 -17.061 -14.435 1.00 0.62 C ATOM 1386 C PRO A 53 -11.800 -17.062 -14.043 1.00 0.56 C ATOM 1387 O PRO A 53 -11.268 -18.079 -13.645 1.00 0.60 O ATOM 1388 CB PRO A 53 -13.523 -16.345 -15.787 1.00 0.63 C ATOM 1389 CG PRO A 53 -14.682 -15.330 -15.583 1.00 0.61 C ATOM 1390 CD PRO A 53 -15.202 -15.504 -14.139 1.00 0.62 C ATOM 0 HA PRO A 53 -13.555 -18.120 -14.464 1.00 0.62 H new ATOM 0 HB2 PRO A 53 -12.616 -15.833 -16.107 1.00 0.63 H new ATOM 0 HB3 PRO A 53 -13.775 -17.065 -16.566 1.00 0.63 H new ATOM 0 HG2 PRO A 53 -14.332 -14.310 -15.744 1.00 0.61 H new ATOM 0 HG3 PRO A 53 -15.481 -15.510 -16.303 1.00 0.61 H new ATOM 0 HD2 PRO A 53 -15.311 -14.543 -13.637 1.00 0.62 H new ATOM 0 HD3 PRO A 53 -16.180 -15.984 -14.124 1.00 0.62 H new ATOM 1398 N PHE A 54 -11.093 -15.972 -14.234102.11 0.49 N ATOM 1399 CA PHE A 54 -9.613 -15.989 -13.959102.11 0.47 C ATOM 1400 C PHE A 54 -9.232 -15.867 -12.469102.11 0.45 C ATOM 1401 O PHE A 54 -8.108 -16.154 -12.113102.11 0.47 O ATOM 1402 CB PHE A 54 -8.917 -14.903 -14.781102.11 0.49 C ATOM 1403 CG PHE A 54 -9.228 -13.534 -14.242102.11 0.53 C ATOM 1404 CD1 PHE A 54 -8.532 -13.047 -13.120102.11 0.59 C ATOM 1405 CD2 PHE A 54 -10.194 -12.731 -14.878102.11 0.69 C ATOM 1406 CE1 PHE A 54 -8.799 -11.756 -12.636102.11 0.78 C ATOM 1407 CE2 PHE A 54 -10.464 -11.442 -14.389102.11 0.85 C ATOM 1408 CZ PHE A 54 -9.766 -10.954 -13.270102.11 0.88 C ATOM 0 H PHE A 54 -11.467 -15.082 -14.563102.11 0.49 H new ATOM 0 HA PHE A 54 -9.266 -16.977 -14.262102.11 0.47 H new ATOM 0 HB2 PHE A 54 -7.839 -15.067 -14.767102.11 0.49 H new ATOM 0 HB3 PHE A 54 -9.236 -14.969 -15.821102.11 0.49 H new ATOM 0 HD1 PHE A 54 -7.793 -13.665 -12.632102.11 0.59 H new ATOM 0 HD2 PHE A 54 -10.726 -13.105 -15.740102.11 0.69 H new ATOM 0 HE1 PHE A 54 -8.263 -11.379 -11.778102.11 0.78 H new ATOM 0 HE2 PHE A 54 -11.208 -10.826 -14.872102.11 0.85 H new ATOM 0 HZ PHE A 54 -9.972 -9.962 -12.897102.11 0.88 H new ATOM 1418 N PHE A 55 -10.109 -15.472 -11.582 1.00 0.46 N ATOM 1419 CA PHE A 55 -9.671 -15.396 -10.145 1.00 0.51 C ATOM 1420 C PHE A 55 -9.295 -16.790 -9.617 1.00 0.55 C ATOM 1421 O PHE A 55 -8.347 -16.934 -8.871 1.00 0.57 O ATOM 1422 CB PHE A 55 -10.772 -14.783 -9.248 1.00 0.57 C ATOM 1423 CG PHE A 55 -10.633 -13.270 -9.147 1.00 0.59 C ATOM 1424 CD1 PHE A 55 -10.904 -12.433 -10.244 1.00 0.58 C ATOM 1425 CD2 PHE A 55 -10.244 -12.699 -7.913 1.00 0.82 C ATOM 1426 CE1 PHE A 55 -10.786 -11.035 -10.108 1.00 0.63 C ATOM 1427 CE2 PHE A 55 -10.122 -11.305 -7.783 1.00 0.89 C ATOM 1428 CZ PHE A 55 -10.394 -10.473 -8.879 1.00 0.73 C ATOM 0 H PHE A 55 -11.075 -15.207 -11.773 1.00 0.46 H new ATOM 0 HA PHE A 55 -8.795 -14.748 -10.108 1.00 0.51 H new ATOM 0 HB2 PHE A 55 -11.753 -15.033 -9.652 1.00 0.57 H new ATOM 0 HB3 PHE A 55 -10.717 -15.222 -8.252 1.00 0.57 H new ATOM 0 HD1 PHE A 55 -11.202 -12.861 -11.190 1.00 0.58 H new ATOM 0 HD2 PHE A 55 -10.040 -13.337 -7.066 1.00 0.82 H new ATOM 0 HE1 PHE A 55 -10.997 -10.393 -10.950 1.00 0.63 H new ATOM 0 HE2 PHE A 55 -9.819 -10.875 -6.840 1.00 0.89 H new ATOM 0 HZ PHE A 55 -10.303 -9.401 -8.780 1.00 0.73 H new ATOM 1438 N GLN A 56 -10.017 -17.811 -9.974 1.00 0.62 N ATOM 1439 CA GLN A 56 -9.667 -19.167 -9.459 1.00 0.70 C ATOM 1440 C GLN A 56 -8.197 -19.472 -9.762 1.00 0.63 C ATOM 1441 O GLN A 56 -7.460 -19.927 -8.911 1.00 0.64 O ATOM 1442 CB GLN A 56 -10.574 -20.215 -10.121 1.00 0.82 C ATOM 1443 CG GLN A 56 -11.957 -20.245 -9.417 1.00 1.00 C ATOM 1444 CD GLN A 56 -13.075 -20.418 -10.451 1.00 1.66 C ATOM 1445 OE1 GLN A 56 -13.893 -21.309 -10.339 1.00 2.36 O ATOM 1446 NE2 GLN A 56 -13.142 -19.591 -11.456 1.00 2.04 N ATOM 0 H GLN A 56 -10.827 -17.771 -10.593 1.00 0.62 H new ATOM 0 HA GLN A 56 -9.816 -19.197 -8.380 1.00 0.70 H new ATOM 0 HB2 GLN A 56 -10.700 -19.982 -11.178 1.00 0.82 H new ATOM 0 HB3 GLN A 56 -10.107 -21.198 -10.065 1.00 0.82 H new ATOM 0 HG2 GLN A 56 -11.989 -21.062 -8.697 1.00 1.00 H new ATOM 0 HG3 GLN A 56 -12.109 -19.322 -8.858 1.00 1.00 H new ATOM 0 HE21 GLN A 56 -12.454 -18.844 -11.548 1.00 2.04 H new ATOM 0 HE22 GLN A 56 -13.882 -19.691 -12.150 1.00 2.04 H new ATOM 1455 N GLU A 57 -7.763 -19.230 -10.962 1.00 0.60 N ATOM 1456 CA GLU A 57 -6.340 -19.509 -11.305 1.00 0.58 C ATOM 1457 C GLU A 57 -5.422 -18.544 -10.538 1.00 0.53 C ATOM 1458 O GLU A 57 -4.498 -18.955 -9.868 1.00 0.56 O ATOM 1459 CB GLU A 57 -6.142 -19.341 -12.818 1.00 0.64 C ATOM 1460 CG GLU A 57 -4.647 -19.299 -13.156 1.00 0.66 C ATOM 1461 CD GLU A 57 -4.449 -19.553 -14.652 1.00 0.81 C ATOM 1462 OE1 GLU A 57 -4.886 -20.592 -15.120 1.00 1.42 O ATOM 1463 OE2 GLU A 57 -3.864 -18.705 -15.306 1.00 1.35 O ATOM 0 H GLU A 57 -8.328 -18.852 -11.722 1.00 0.60 H new ATOM 0 HA GLU A 57 -6.087 -20.531 -11.022 1.00 0.58 H new ATOM 0 HB2 GLU A 57 -6.619 -20.165 -13.348 1.00 0.64 H new ATOM 0 HB3 GLU A 57 -6.624 -18.424 -13.155 1.00 0.64 H new ATOM 0 HG2 GLU A 57 -4.230 -18.330 -12.884 1.00 0.66 H new ATOM 0 HG3 GLU A 57 -4.112 -20.051 -12.576 1.00 0.66 H new ATOM 1470 N ALA A 58 -5.664 -17.265 -10.644 1.00 0.53 N ATOM 1471 CA ALA A 58 -4.794 -16.270 -9.943 1.00 0.57 C ATOM 1472 C ALA A 58 -4.599 -16.659 -8.473 1.00 0.57 C ATOM 1473 O ALA A 58 -3.647 -16.244 -7.839 1.00 0.61 O ATOM 1474 CB ALA A 58 -5.448 -14.888 -10.021 1.00 0.67 C ATOM 0 H ALA A 58 -6.428 -16.863 -11.187 1.00 0.53 H new ATOM 0 HA ALA A 58 -3.819 -16.252 -10.429 1.00 0.57 H new ATOM 0 HB1 ALA A 58 -4.819 -14.158 -9.512 1.00 0.67 H new ATOM 0 HB2 ALA A 58 -5.566 -14.600 -11.066 1.00 0.67 H new ATOM 0 HB3 ALA A 58 -6.426 -14.921 -9.541 1.00 0.67 H new ATOM 1480 N GLN A 59 -5.484 -17.438 -7.919 1.00 0.58 N ATOM 1481 CA GLN A 59 -5.326 -17.822 -6.487 1.00 0.67 C ATOM 1482 C GLN A 59 -4.065 -18.671 -6.315 1.00 0.64 C ATOM 1483 O GLN A 59 -3.195 -18.350 -5.529 1.00 0.70 O ATOM 1484 CB GLN A 59 -6.542 -18.640 -6.028 1.00 0.76 C ATOM 1485 CG GLN A 59 -7.763 -17.722 -5.835 1.00 0.88 C ATOM 1486 CD GLN A 59 -7.742 -17.111 -4.430 1.00 1.02 C ATOM 1487 OE1 GLN A 59 -8.391 -17.606 -3.530 1.00 1.47 O ATOM 1488 NE2 GLN A 59 -7.017 -16.049 -4.203 1.00 1.62 N ATOM 0 H GLN A 59 -6.303 -17.823 -8.389 1.00 0.58 H new ATOM 0 HA GLN A 59 -5.246 -16.915 -5.887 1.00 0.67 H new ATOM 0 HB2 GLN A 59 -6.770 -19.410 -6.765 1.00 0.76 H new ATOM 0 HB3 GLN A 59 -6.312 -19.152 -5.094 1.00 0.76 H new ATOM 0 HG2 GLN A 59 -7.756 -16.931 -6.585 1.00 0.88 H new ATOM 0 HG3 GLN A 59 -8.682 -18.290 -5.980 1.00 0.88 H new ATOM 0 HE21 GLN A 59 -6.472 -15.633 -4.958 1.00 1.62 H new ATOM 0 HE22 GLN A 59 -6.996 -15.636 -3.271 1.00 1.62 H new ATOM 1497 N LYS A 60 -3.970 -19.771 -7.014 1.00 0.62 N ATOM 1498 CA LYS A 60 -2.775 -20.646 -6.848 1.00 0.68 C ATOM 1499 C LYS A 60 -1.490 -19.968 -7.360 1.00 0.63 C ATOM 1500 O LYS A 60 -0.450 -20.111 -6.747 1.00 0.67 O ATOM 1501 CB LYS A 60 -3.000 -21.990 -7.540 1.00 0.78 C ATOM 1502 CG LYS A 60 -3.353 -21.792 -9.015 1.00 0.88 C ATOM 1503 CD LYS A 60 -3.212 -23.135 -9.738 1.00 1.20 C ATOM 1504 CE LYS A 60 -3.875 -23.061 -11.113 1.00 1.52 C ATOM 1505 NZ LYS A 60 -3.862 -24.417 -11.731 1.00 2.04 N ATOM 0 H LYS A 60 -4.663 -20.099 -7.687 1.00 0.62 H new ATOM 0 HA LYS A 60 -2.638 -20.822 -5.781 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -2.102 -22.602 -7.456 1.00 0.78 H new ATOM 0 HB3 LYS A 60 -3.803 -22.532 -7.039 1.00 0.78 H new ATOM 0 HG2 LYS A 60 -4.371 -21.415 -9.113 1.00 0.88 H new ATOM 0 HG3 LYS A 60 -2.694 -21.050 -9.465 1.00 0.88 H new ATOM 0 HD2 LYS A 60 -2.158 -23.390 -9.847 1.00 1.20 H new ATOM 0 HD3 LYS A 60 -3.672 -23.926 -9.146 1.00 1.20 H new ATOM 0 HE2 LYS A 60 -4.899 -22.700 -11.018 1.00 1.52 H new ATOM 0 HE3 LYS A 60 -3.345 -22.352 -11.749 1.00 1.52 H new ATOM 0 HZ1 LYS A 60 -4.312 -24.376 -12.668 1.00 2.04 H new ATOM 0 HZ2 LYS A 60 -2.880 -24.743 -11.832 1.00 2.04 H new ATOM 0 HZ3 LYS A 60 -4.386 -25.080 -11.125 1.00 2.04 H new ATOM 1519 N LEU A 61 -1.526 -19.219 -8.449 1.00 0.64 N ATOM 1520 CA LEU A 61 -0.260 -18.540 -8.915 1.00 0.68 C ATOM 1521 C LEU A 61 0.415 -17.887 -7.706 1.00 0.68 C ATOM 1522 O LEU A 61 1.570 -18.130 -7.401 1.00 0.69 O ATOM 1523 CB LEU A 61 -0.568 -17.431 -9.959 1.00 0.75 C ATOM 1524 CG LEU A 61 -0.691 -17.968 -11.403 1.00 0.82 C ATOM 1525 CD1 LEU A 61 0.713 -18.248 -11.996 1.00 0.84 C ATOM 1526 CD2 LEU A 61 -1.561 -19.234 -11.460 1.00 0.84 C ATOM 0 H LEU A 61 -2.353 -19.051 -9.022 1.00 0.64 H new ATOM 0 HA LEU A 61 0.385 -19.288 -9.377 1.00 0.68 H new ATOM 0 HB2 LEU A 61 -1.497 -16.931 -9.684 1.00 0.75 H new ATOM 0 HB3 LEU A 61 0.221 -16.680 -9.924 1.00 0.75 H new ATOM 0 HG LEU A 61 -1.181 -17.201 -12.004 1.00 0.82 H new ATOM 0 HD11 LEU A 61 0.610 -18.626 -13.013 1.00 0.84 H new ATOM 0 HD12 LEU A 61 1.293 -17.325 -12.009 1.00 0.84 H new ATOM 0 HD13 LEU A 61 1.225 -18.990 -11.384 1.00 0.84 H new ATOM 0 HD21 LEU A 61 -1.626 -19.585 -12.490 1.00 0.84 H new ATOM 0 HD22 LEU A 61 -1.114 -20.011 -10.840 1.00 0.84 H new ATOM 0 HD23 LEU A 61 -2.561 -19.005 -11.091 1.00 0.84 H new ATOM 1538 N GLN A 62 -0.316 -17.059 -7.026 1.00 0.75 N ATOM 1539 CA GLN A 62 0.231 -16.361 -5.836 1.00 0.85 C ATOM 1540 C GLN A 62 0.641 -17.389 -4.771 1.00 0.78 C ATOM 1541 O GLN A 62 1.725 -17.336 -4.237 1.00 0.82 O ATOM 1542 CB GLN A 62 -0.871 -15.427 -5.274 1.00 1.03 C ATOM 1543 CG GLN A 62 -0.499 -13.954 -5.479 1.00 1.63 C ATOM 1544 CD GLN A 62 -1.517 -13.077 -4.748 1.00 2.19 C ATOM 1545 OE1 GLN A 62 -2.592 -12.817 -5.257 1.00 2.71 O ATOM 1546 NE2 GLN A 62 -1.221 -12.605 -3.568 1.00 2.83 N ATOM 0 H GLN A 62 -1.285 -16.832 -7.247 1.00 0.75 H new ATOM 0 HA GLN A 62 1.111 -15.779 -6.111 1.00 0.85 H new ATOM 0 HB2 GLN A 62 -1.819 -15.639 -5.768 1.00 1.03 H new ATOM 0 HB3 GLN A 62 -1.014 -15.625 -4.212 1.00 1.03 H new ATOM 0 HG2 GLN A 62 0.504 -13.763 -5.099 1.00 1.63 H new ATOM 0 HG3 GLN A 62 -0.489 -13.713 -6.542 1.00 1.63 H new ATOM 0 HE21 GLN A 62 -0.320 -12.824 -3.143 1.00 2.83 H new ATOM 0 HE22 GLN A 62 -1.891 -12.018 -3.071 1.00 2.83 H new ATOM 1555 N ALA A 63 -0.240 -18.293 -4.446 1.00 0.76 N ATOM 1556 CA ALA A 63 0.050 -19.305 -3.382 1.00 0.80 C ATOM 1557 C ALA A 63 1.399 -20.005 -3.594 1.00 0.71 C ATOM 1558 O ALA A 63 2.164 -20.169 -2.666 1.00 0.75 O ATOM 1559 CB ALA A 63 -1.061 -20.358 -3.388 1.00 0.87 C ATOM 0 H ALA A 63 -1.161 -18.378 -4.876 1.00 0.76 H new ATOM 0 HA ALA A 63 0.095 -18.781 -2.427 1.00 0.80 H new ATOM 0 HB1 ALA A 63 -0.861 -21.102 -2.617 1.00 0.87 H new ATOM 0 HB2 ALA A 63 -2.019 -19.877 -3.189 1.00 0.87 H new ATOM 0 HB3 ALA A 63 -1.095 -20.846 -4.362 1.00 0.87 H new ATOM 1565 N MET A 64 1.690 -20.454 -4.779 1.00 0.66 N ATOM 1566 CA MET A 64 2.981 -21.178 -4.998 1.00 0.67 C ATOM 1567 C MET A 64 4.183 -20.262 -4.762 1.00 0.64 C ATOM 1568 O MET A 64 4.955 -20.451 -3.839 1.00 0.66 O ATOM 1569 CB MET A 64 3.029 -21.697 -6.433 1.00 0.75 C ATOM 1570 CG MET A 64 1.842 -22.628 -6.677 1.00 0.83 C ATOM 1571 SD MET A 64 2.119 -23.560 -8.208 1.00 1.33 S ATOM 1572 CE MET A 64 0.575 -23.126 -9.051 1.00 1.19 C ATOM 0 H MET A 64 1.098 -20.355 -5.604 1.00 0.66 H new ATOM 0 HA MET A 64 3.032 -22.003 -4.288 1.00 0.67 H new ATOM 0 HB2 MET A 64 3.001 -20.863 -7.134 1.00 0.75 H new ATOM 0 HB3 MET A 64 3.964 -22.229 -6.608 1.00 0.75 H new ATOM 0 HG2 MET A 64 1.723 -23.312 -5.837 1.00 0.83 H new ATOM 0 HG3 MET A 64 0.921 -22.050 -6.751 1.00 0.83 H new ATOM 0 HE1 MET A 64 0.608 -23.487 -10.079 1.00 1.19 H new ATOM 0 HE2 MET A 64 -0.265 -23.586 -8.531 1.00 1.19 H new ATOM 0 HE3 MET A 64 0.452 -22.043 -9.051 1.00 1.19 H new ATOM 1582 N HIS A 65 4.365 -19.288 -5.600 0.22 0.65 N ATOM 1583 CA HIS A 65 5.535 -18.382 -5.445 0.22 0.71 C ATOM 1584 C HIS A 65 5.546 -17.778 -4.043 0.22 0.71 C ATOM 1585 O HIS A 65 6.585 -17.568 -3.461 0.22 0.75 O ATOM 1586 CB HIS A 65 5.432 -17.286 -6.495 0.22 0.81 C ATOM 1587 CG HIS A 65 5.145 -17.938 -7.816 0.22 0.89 C ATOM 1588 ND1 HIS A 65 4.398 -17.319 -8.795 0.22 1.01 N ATOM 1589 CD2 HIS A 65 5.487 -19.167 -8.323 0.22 0.95 C ATOM 1590 CE1 HIS A 65 4.308 -18.168 -9.837 0.22 1.11 C ATOM 1591 NE2 HIS A 65 4.957 -19.309 -9.601 0.22 1.09 N ATOM 0 H HIS A 65 3.754 -19.077 -6.389 0.22 0.65 H new ATOM 0 HA HIS A 65 6.463 -18.938 -5.581 0.22 0.71 H new ATOM 0 HB2 HIS A 65 4.640 -16.583 -6.236 0.22 0.81 H new ATOM 0 HB3 HIS A 65 6.360 -16.716 -6.544 0.22 0.81 H new ATOM 0 HD2 HIS A 65 6.078 -19.910 -7.808 0.22 0.95 H new ATOM 0 HE1 HIS A 65 3.776 -17.951 -10.751 0.22 1.11 H new ATOM 0 HE2 HIS A 65 5.046 -20.112 -10.223 0.22 1.09 H new ATOM 1599 N ARG A 66 4.407 -17.508 -3.487 1.00 0.74 N ATOM 1600 CA ARG A 66 4.375 -16.918 -2.121 1.00 0.81 C ATOM 1601 C ARG A 66 5.023 -17.870 -1.123 1.00 0.77 C ATOM 1602 O ARG A 66 5.795 -17.477 -0.272 1.00 0.80 O ATOM 1603 CB ARG A 66 2.913 -16.707 -1.696 1.00 0.94 C ATOM 1604 CG ARG A 66 2.389 -15.378 -2.253 1.00 1.22 C ATOM 1605 CD ARG A 66 2.814 -14.240 -1.321 1.00 1.90 C ATOM 1606 NE ARG A 66 2.904 -12.982 -2.099 1.00 2.65 N ATOM 1607 CZ ARG A 66 3.117 -11.874 -1.474 1.00 3.24 C ATOM 1608 NH1 ARG A 66 3.312 -11.897 -0.185 1.00 3.32 N ATOM 1609 NH2 ARG A 66 3.140 -10.740 -2.116 1.00 4.22 N ATOM 0 H ARG A 66 3.495 -17.668 -3.915 1.00 0.74 H new ATOM 0 HA ARG A 66 4.915 -15.971 -2.136 1.00 0.81 H new ATOM 0 HB2 ARG A 66 2.298 -17.530 -2.059 1.00 0.94 H new ATOM 0 HB3 ARG A 66 2.838 -16.709 -0.609 1.00 0.94 H new ATOM 0 HG2 ARG A 66 2.782 -15.209 -3.255 1.00 1.22 H new ATOM 0 HG3 ARG A 66 1.303 -15.408 -2.338 1.00 1.22 H new ATOM 0 HD2 ARG A 66 2.094 -14.130 -0.510 1.00 1.90 H new ATOM 0 HD3 ARG A 66 3.777 -14.469 -0.864 1.00 1.90 H new ATOM 0 HE ARG A 66 2.799 -12.992 -3.114 1.00 2.65 H new ATOM 0 HH11 ARG A 66 3.295 -12.784 0.318 1.00 3.32 H new ATOM 0 HH12 ARG A 66 3.482 -11.028 0.321 1.00 3.32 H new ATOM 0 HH21 ARG A 66 2.988 -10.722 -3.125 1.00 4.22 H new ATOM 0 HH22 ARG A 66 3.309 -9.871 -1.610 1.00 4.22 H new ATOM 1623 N GLU A 67 4.670 -19.111 -1.199 1.00 0.74 N ATOM 1624 CA GLU A 67 5.200 -20.102 -0.237 1.00 0.78 C ATOM 1625 C GLU A 67 6.707 -20.296 -0.439 1.00 0.75 C ATOM 1626 O GLU A 67 7.382 -20.851 0.404 1.00 0.82 O ATOM 1627 CB GLU A 67 4.444 -21.413 -0.461 1.00 0.86 C ATOM 1628 CG GLU A 67 2.940 -21.197 -0.167 1.00 0.94 C ATOM 1629 CD GLU A 67 2.642 -21.484 1.307 1.00 1.35 C ATOM 1630 OE1 GLU A 67 3.469 -21.145 2.138 1.00 2.07 O ATOM 1631 OE2 GLU A 67 1.588 -22.035 1.580 1.00 1.88 O ATOM 0 H GLU A 67 4.028 -19.488 -1.896 1.00 0.74 H new ATOM 0 HA GLU A 67 5.056 -19.756 0.787 1.00 0.78 H new ATOM 0 HB2 GLU A 67 4.580 -21.753 -1.488 1.00 0.86 H new ATOM 0 HB3 GLU A 67 4.844 -22.192 0.188 1.00 0.86 H new ATOM 0 HG2 GLU A 67 2.658 -20.172 -0.410 1.00 0.94 H new ATOM 0 HG3 GLU A 67 2.341 -21.851 -0.801 1.00 0.94 H new ATOM 1638 N LYS A 68 7.247 -19.826 -1.531 1.00 0.72 N ATOM 1639 CA LYS A 68 8.720 -19.970 -1.754 1.00 0.77 C ATOM 1640 C LYS A 68 9.458 -18.788 -1.108 1.00 0.76 C ATOM 1641 O LYS A 68 10.652 -18.846 -0.881 1.00 0.87 O ATOM 1642 CB LYS A 68 9.027 -19.945 -3.258 1.00 0.81 C ATOM 1643 CG LYS A 68 8.670 -21.281 -3.915 1.00 0.92 C ATOM 1644 CD LYS A 68 8.851 -21.151 -5.437 1.00 1.07 C ATOM 1645 CE LYS A 68 9.014 -22.539 -6.081 1.00 1.40 C ATOM 1646 NZ LYS A 68 8.337 -23.570 -5.246 1.00 2.06 N ATOM 0 H LYS A 68 6.738 -19.351 -2.276 1.00 0.72 H new ATOM 0 HA LYS A 68 9.045 -20.913 -1.315 1.00 0.77 H new ATOM 0 HB2 LYS A 68 8.466 -19.141 -3.734 1.00 0.81 H new ATOM 0 HB3 LYS A 68 10.084 -19.731 -3.413 1.00 0.81 H new ATOM 0 HG2 LYS A 68 9.308 -22.075 -3.526 1.00 0.92 H new ATOM 0 HG3 LYS A 68 7.641 -21.554 -3.680 1.00 0.92 H new ATOM 0 HD2 LYS A 68 7.990 -20.642 -5.869 1.00 1.07 H new ATOM 0 HD3 LYS A 68 9.726 -20.538 -5.654 1.00 1.07 H new ATOM 0 HE2 LYS A 68 8.589 -22.536 -7.085 1.00 1.40 H new ATOM 0 HE3 LYS A 68 10.072 -22.780 -6.184 1.00 1.40 H new ATOM 0 HZ1 LYS A 68 8.212 -24.440 -5.802 1.00 2.06 H new ATOM 0 HZ2 LYS A 68 8.918 -23.775 -4.408 1.00 2.06 H new ATOM 0 HZ3 LYS A 68 7.407 -23.216 -4.944 1.00 2.06 H new ATOM 1660 N TYR A 69 8.770 -17.698 -0.868 30.93 0.73 N ATOM 1661 CA TYR A 69 9.438 -16.478 -0.304 30.93 0.80 C ATOM 1662 C TYR A 69 8.649 -15.902 0.893 30.93 0.85 C ATOM 1663 O TYR A 69 8.302 -14.739 0.885 30.93 0.94 O ATOM 1664 CB TYR A 69 9.474 -15.448 -1.433 30.93 0.93 C ATOM 1665 CG TYR A 69 10.309 -15.987 -2.572 30.93 0.92 C ATOM 1666 CD1 TYR A 69 11.715 -15.941 -2.511 30.93 1.15 C ATOM 1667 CD2 TYR A 69 9.675 -16.552 -3.692 30.93 0.95 C ATOM 1668 CE1 TYR A 69 12.483 -16.459 -3.576 30.93 1.28 C ATOM 1669 CE2 TYR A 69 10.438 -17.072 -4.751 30.93 1.05 C ATOM 1670 CZ TYR A 69 11.842 -17.025 -4.696 30.93 1.18 C ATOM 1671 OH TYR A 69 12.589 -17.539 -5.735 30.93 1.38 O ATOM 0 H TYR A 69 7.769 -17.598 -1.039 30.93 0.73 H new ATOM 0 HA TYR A 69 10.435 -16.728 0.059 30.93 0.80 H new ATOM 0 HB2 TYR A 69 8.462 -15.233 -1.778 30.93 0.93 H new ATOM 0 HB3 TYR A 69 9.893 -14.509 -1.071 30.93 0.93 H new ATOM 0 HD1 TYR A 69 12.205 -15.510 -1.651 30.93 1.15 H new ATOM 0 HD2 TYR A 69 8.597 -16.587 -3.739 30.93 0.95 H new ATOM 0 HE1 TYR A 69 13.561 -16.422 -3.532 30.93 1.28 H new ATOM 0 HE2 TYR A 69 9.946 -17.508 -5.608 30.93 1.05 H new ATOM 0 HH TYR A 69 11.990 -17.891 -6.426 30.93 1.38 H new ATOM 1681 N PRO A 70 8.390 -16.720 1.889 1.66 0.90 N ATOM 1682 CA PRO A 70 7.626 -16.286 3.079 1.66 1.06 C ATOM 1683 C PRO A 70 8.174 -14.981 3.686 1.66 1.04 C ATOM 1684 O PRO A 70 7.524 -13.954 3.657 1.66 1.16 O ATOM 1685 CB PRO A 70 7.748 -17.463 4.078 1.66 1.25 C ATOM 1686 CG PRO A 70 8.541 -18.599 3.368 1.66 1.15 C ATOM 1687 CD PRO A 70 8.844 -18.126 1.929 1.66 0.94 C ATOM 0 HA PRO A 70 6.590 -16.062 2.823 1.66 1.06 H new ATOM 0 HB2 PRO A 70 8.263 -17.145 4.984 1.66 1.25 H new ATOM 0 HB3 PRO A 70 6.761 -17.815 4.379 1.66 1.25 H new ATOM 0 HG2 PRO A 70 9.466 -18.813 3.904 1.66 1.15 H new ATOM 0 HG3 PRO A 70 7.960 -19.521 3.354 1.66 1.15 H new ATOM 0 HD2 PRO A 70 9.907 -18.205 1.703 1.66 0.94 H new ATOM 0 HD3 PRO A 70 8.316 -18.733 1.194 1.66 0.94 H new ATOM 1695 N ASN A 71 9.334 -15.024 4.286 1.00 1.04 N ATOM 1696 CA ASN A 71 9.881 -13.800 4.952 1.00 1.10 C ATOM 1697 C ASN A 71 10.623 -12.885 3.974 1.00 0.98 C ATOM 1698 O ASN A 71 10.961 -11.769 4.317 1.00 0.95 O ATOM 1699 CB ASN A 71 10.840 -14.228 6.064 1.00 1.31 C ATOM 1700 CG ASN A 71 10.182 -15.318 6.910 1.00 1.46 C ATOM 1701 OD1 ASN A 71 10.299 -16.491 6.609 1.00 1.91 O ATOM 1702 ND2 ASN A 71 9.487 -14.981 7.962 1.00 1.80 N ATOM 0 H ASN A 71 9.928 -15.851 4.345 1.00 1.04 H new ATOM 0 HA ASN A 71 9.039 -13.236 5.354 1.00 1.10 H new ATOM 0 HB2 ASN A 71 11.771 -14.598 5.634 1.00 1.31 H new ATOM 0 HB3 ASN A 71 11.095 -13.372 6.689 1.00 1.31 H new ATOM 0 HD21 ASN A 71 9.042 -15.701 8.531 1.00 1.80 H new ATOM 0 HD22 ASN A 71 9.389 -13.998 8.215 1.00 1.80 H new ATOM 1709 N TYR A 72 10.884 -13.307 2.771 43.60 0.98 N ATOM 1710 CA TYR A 72 11.599 -12.389 1.838 43.60 0.93 C ATOM 1711 C TYR A 72 10.643 -11.264 1.441 43.60 0.93 C ATOM 1712 O TYR A 72 9.576 -11.515 0.917 43.60 1.17 O ATOM 1713 CB TYR A 72 12.062 -13.148 0.601 43.60 1.09 C ATOM 1714 CG TYR A 72 13.134 -12.360 -0.111 43.60 1.14 C ATOM 1715 CD1 TYR A 72 12.770 -11.339 -1.011 43.60 1.22 C ATOM 1716 CD2 TYR A 72 14.492 -12.643 0.122 43.60 1.27 C ATOM 1717 CE1 TYR A 72 13.765 -10.602 -1.677 43.60 1.30 C ATOM 1718 CE2 TYR A 72 15.488 -11.905 -0.545 43.60 1.35 C ATOM 1719 CZ TYR A 72 15.125 -10.884 -1.445 43.60 1.32 C ATOM 1720 OH TYR A 72 16.100 -10.160 -2.098 43.60 1.44 O ATOM 0 H TYR A 72 10.642 -14.224 2.397 43.60 0.98 H new ATOM 0 HA TYR A 72 12.479 -11.974 2.328 43.60 0.93 H new ATOM 0 HB2 TYR A 72 12.447 -14.127 0.887 43.60 1.09 H new ATOM 0 HB3 TYR A 72 11.219 -13.320 -0.068 43.60 1.09 H new ATOM 0 HD1 TYR A 72 11.727 -11.123 -1.189 43.60 1.22 H new ATOM 0 HD2 TYR A 72 14.770 -13.426 0.812 43.60 1.27 H new ATOM 0 HE1 TYR A 72 13.486 -9.819 -2.367 43.60 1.30 H new ATOM 0 HE2 TYR A 72 16.531 -12.122 -0.367 43.60 1.35 H new ATOM 0 HH TYR A 72 15.688 -9.615 -2.801 43.60 1.44 H new ATOM 1730 N LYS A 73 10.998 -10.030 1.705 1.00 0.85 N ATOM 1731 CA LYS A 73 10.087 -8.888 1.362 1.00 0.99 C ATOM 1732 C LYS A 73 10.774 -7.893 0.442 1.00 0.84 C ATOM 1733 O LYS A 73 11.970 -7.937 0.228 1.00 0.90 O ATOM 1734 CB LYS A 73 9.698 -8.168 2.646 1.00 1.28 C ATOM 1735 CG LYS A 73 9.106 -9.177 3.650 1.00 1.52 C ATOM 1736 CD LYS A 73 8.069 -8.489 4.567 1.00 1.95 C ATOM 1737 CE LYS A 73 8.168 -9.061 5.981 1.00 1.74 C ATOM 1738 NZ LYS A 73 9.354 -8.466 6.656 1.00 2.47 N ATOM 0 H LYS A 73 11.879 -9.762 2.143 1.00 0.85 H new ATOM 0 HA LYS A 73 9.210 -9.288 0.853 1.00 0.99 H new ATOM 0 HB2 LYS A 73 10.571 -7.679 3.079 1.00 1.28 H new ATOM 0 HB3 LYS A 73 8.970 -7.386 2.429 1.00 1.28 H new ATOM 0 HG2 LYS A 73 8.634 -9.999 3.112 1.00 1.52 H new ATOM 0 HG3 LYS A 73 9.904 -9.608 4.254 1.00 1.52 H new ATOM 0 HD2 LYS A 73 8.244 -7.413 4.587 1.00 1.95 H new ATOM 0 HD3 LYS A 73 7.064 -8.641 4.173 1.00 1.95 H new ATOM 0 HE2 LYS A 73 7.262 -8.837 6.543 1.00 1.74 H new ATOM 0 HE3 LYS A 73 8.260 -10.146 5.944 1.00 1.74 H new ATOM 0 HZ1 LYS A 73 9.847 -9.201 7.202 1.00 2.47 H new ATOM 0 HZ2 LYS A 73 10.000 -8.074 5.941 1.00 2.47 H new ATOM 0 HZ3 LYS A 73 9.045 -7.708 7.297 1.00 2.47 H new ATOM 1752 N TYR A 74 10.016 -6.974 -0.091 1.00 0.78 N ATOM 1753 CA TYR A 74 10.610 -5.953 -0.983 1.00 0.75 C ATOM 1754 C TYR A 74 11.659 -5.188 -0.188 1.00 0.99 C ATOM 1755 O TYR A 74 11.742 -5.312 1.020 1.00 1.21 O ATOM 1756 CB TYR A 74 9.510 -5.017 -1.502 1.00 0.74 C ATOM 1757 CG TYR A 74 8.776 -5.718 -2.624 1.00 0.59 C ATOM 1758 CD1 TYR A 74 9.258 -5.630 -3.946 1.00 0.58 C ATOM 1759 CD2 TYR A 74 7.630 -6.491 -2.347 1.00 0.58 C ATOM 1760 CE1 TYR A 74 8.599 -6.303 -4.986 1.00 0.59 C ATOM 1761 CE2 TYR A 74 6.971 -7.171 -3.390 1.00 0.58 C ATOM 1762 CZ TYR A 74 7.457 -7.076 -4.709 1.00 0.61 C ATOM 1763 OH TYR A 74 6.818 -7.746 -5.732 1.00 0.74 O ATOM 0 H TYR A 74 9.010 -6.891 0.056 1.00 0.78 H new ATOM 0 HA TYR A 74 11.082 -6.418 -1.849 1.00 0.75 H new ATOM 0 HB2 TYR A 74 8.819 -4.762 -0.698 1.00 0.74 H new ATOM 0 HB3 TYR A 74 9.944 -4.083 -1.858 1.00 0.74 H new ATOM 0 HD1 TYR A 74 10.138 -5.042 -4.159 1.00 0.58 H new ATOM 0 HD2 TYR A 74 7.258 -6.562 -1.336 1.00 0.58 H new ATOM 0 HE1 TYR A 74 8.968 -6.228 -5.998 1.00 0.59 H new ATOM 0 HE2 TYR A 74 6.094 -7.765 -3.179 1.00 0.58 H new ATOM 0 HH TYR A 74 6.048 -8.234 -5.373 1.00 0.74 H new ATOM 1773 N ARG A 75 12.495 -4.444 -0.853 1.00 1.11 N ATOM 1774 CA ARG A 75 13.586 -3.716 -0.139 1.00 1.39 C ATOM 1775 C ARG A 75 13.770 -2.326 -0.757 1.00 1.69 C ATOM 1776 O ARG A 75 12.858 -1.523 -0.783 1.00 2.16 O ATOM 1777 CB ARG A 75 14.863 -4.563 -0.308 1.00 1.49 C ATOM 1778 CG ARG A 75 15.886 -4.310 0.825 1.00 1.88 C ATOM 1779 CD ARG A 75 16.626 -5.614 1.149 1.00 2.14 C ATOM 1780 NE ARG A 75 17.461 -5.395 2.366 1.00 2.60 N ATOM 1781 CZ ARG A 75 18.451 -4.560 2.353 1.00 3.25 C ATOM 1782 NH1 ARG A 75 18.906 -4.104 1.217 1.00 3.59 N ATOM 1783 NH2 ARG A 75 19.027 -4.219 3.471 1.00 4.10 N ATOM 0 H ARG A 75 12.472 -4.306 -1.863 1.00 1.11 H new ATOM 0 HA ARG A 75 13.354 -3.578 0.917 1.00 1.39 H new ATOM 0 HB2 ARG A 75 14.596 -5.620 -0.325 1.00 1.49 H new ATOM 0 HB3 ARG A 75 15.324 -4.335 -1.269 1.00 1.49 H new ATOM 0 HG2 ARG A 75 16.597 -3.542 0.522 1.00 1.88 H new ATOM 0 HG3 ARG A 75 15.376 -3.939 1.714 1.00 1.88 H new ATOM 0 HD2 ARG A 75 15.914 -6.422 1.319 1.00 2.14 H new ATOM 0 HD3 ARG A 75 17.252 -5.913 0.309 1.00 2.14 H new ATOM 0 HE ARG A 75 17.249 -5.910 3.220 1.00 2.60 H new ATOM 0 HH11 ARG A 75 18.482 -4.405 0.340 1.00 3.59 H new ATOM 0 HH12 ARG A 75 19.686 -3.446 1.207 1.00 3.59 H new ATOM 0 HH21 ARG A 75 18.698 -4.610 4.354 1.00 4.10 H new ATOM 0 HH22 ARG A 75 19.807 -3.562 3.463 1.00 4.10 H new TER 1797 ARG A 75 END