USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) HEADER DNA BINDING PROTEIN/DNA 06-MAY-98 1NK3 TITLE VND/NK-2 HOMEODOMAIN/DNA COMPLEX, NMR, MINIMIZED AVERAGE TITLE 2 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'- COMPND 3 D(*TP*GP*TP*GP*TP*CP*AP*AP*GP*TP*GP*GP*CP*TP*GP*T)-3'); COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: DNA (5'- COMPND 8 D(*AP*CP*AP*GP*CP*CP*AP*CP*TP*TP*GP*AP*CP*AP*CP*A)-3'); COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES; COMPND 1 MOL_ID: 3; COMPND 2 MOLECULE: HOMEOBOX PROTEIN VND; COMPND 3 CHAIN: P; COMPND 4 FRAGMENT: HOMEODOMAIN; COMPND 5 SYNONYM: VND/NK-2 HOMEODOMAIN, VENTRAL NERVOUS SYSTEM COMPND 6 DEFECTIVE PROTEIN, HOMEOBOX PROTEIN NK-2; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 2; SOURCE 4 SYNTHETIC: YES; SOURCE 5 MOL_ID: 3; SOURCE 6 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; SOURCE 7 ORGANISM_COMMON: FRUIT FLY; SOURCE 8 ORGANISM_TAXID: 7227; SOURCE 9 ORGAN: FRUIT; SOURCE 0 GENE: POTENTIAL; SOURCE 1 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 2 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 3 EXPRESSION_SYSTEM_PLASMID: PET11D KEYWDS HOMEODOMAIN, HOMEOBOX, DNA-BINDING PROTEIN, EMBRYONIC KEYWDS 2 DEVELOPMENT, COMPLEX (HOMEODOMAIN/DNA), DNA BINDING KEYWDS 3 PROTEIN/DNA COMPLEX EXPDTA SOLUTION NMR AUTHOR J.M.GRUSCHUS,D.H.H.TSAO,L.-H.WANG,M.NIRENBERG,J.A.FERRETTI REVDAT 3 24-FEB-09 1NK3 1 VERSN REVDAT 2 23-FEB-99 1NK3 3 COMPND REMARK TITLE DBREF REVDAT 2 2 3 HEADER TER ATOM SEQRES REVDAT 2 3 3 JRNL KEYWDS HELIX REVDAT 1 09-DEC-98 1NK3 0 JRNL AUTH J.M.GRUSCHUS,D.H.TSAO,L.H.WANG,M.NIRENBERG, JRNL AUTH 2 J.A.FERRETTI JRNL TITL INTERACTIONS OF THE VND/NK-2 HOMEODOMAIN WITH DNA JRNL TITL 2 BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY: BASIS JRNL TITL 3 OF BINDING SPECIFICITY. JRNL REF BIOCHEMISTRY V. 36 5372 1997 JRNL REFN ISSN 0006-2960 JRNL PMID 9154919 JRNL DOI 10.1021/BI9620060 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.M.GRUSCHUS,D.H.TSAO,L.H.WANG,M.NIRENBERG, REMARK 1 AUTH 2 J.A.FERRETTI REMARK 1 TITL INTERACTIONS OF THE VND/NK-2 HOMEODOMAIN WITH DNA REMARK 1 TITL 2 BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY: BASIS REMARK 1 TITL 3 OF BINDING SPECIFICITY REMARK 1 REF BIOCHEMISTRY V. 36 5372 1997 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH D.H.TSAO,J.M.GRUSCHUS,L.H.WANG,M.NIRENBERG, REMARK 1 AUTH 2 J.A.FERRETTI REMARK 1 TITL THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE REMARK 1 TITL 2 NK-2 HOMEODOMAIN FROM DROSOPHILA REMARK 1 REF J.MOL.BIOL. V. 251 297 1995 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 3 REMARK 1 AUTH D.H.TSAO,J.M.GRUSCHUS,L.H.WANG,M.NIRENBERG, REMARK 1 AUTH 2 J.A.FERRETTI REMARK 1 TITL ELONGATION OF HELIX III OF THE NK-2 HOMEODOMAIN REMARK 1 TITL 2 UPON BINDING TO DNA: A SECONDARY STRUCTURE STUDY REMARK 1 TITL 3 BY NMR REMARK 1 REF BIOCHEMISTRY V. 33 15053 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : INSIGHT II 97 AUTHOR : MSI MSI REMARK 3 AUTHORS : JONES,ZOU,COWAN,KJELDGAARD REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NMR REFINE/INSIGHT II 97 REMARK 4 REMARK 4 1NK3 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) : 308 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 60MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 15N-EDITED 3D NOESY H2O, 13C- REMARK 210 EDITED 3D NOESY D2O, 12C- REMARK 210 FILTERED 2D NOESY D2O, 1-1 REMARK 210 SEMISELECTIVE 2D NOESY H2O, REMARK 210 DEUTERIUM EXCHANGE 15N 2D HMQC REMARK 210 H2O, QUANTITATIVE HN-HALPHA J- REMARK 210 COUPLING REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMR REFINE REFINE REMARK 210 METHOD USED : DISTANCE GEOMETRY/ SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THIS MODEL IS THE AVERAGE STRUCTURE OF THE ENSEMBLE OF REMARK 210 20 STRUCTURES (1NK2). THE UNSTRUCTURED N-TERMINAL AND C- REMARK 210 TERMINAL AMINO ACIDS (P 101-P 107 AND P 171-P 177 IN PDB ENTRY REMARK 210 1NK2) WERE REMOVED PRIOR TO MINIMIZATION OF THE AVERAGE REMARK 210 STRUCTURE BY THE MD_SCHE DULE PROGRAM OF INSIGHTII/NMR REFINE, REMARK 210 SUBJECT TO ALL EXPERIMENTAL RESTRAINTS FOR THE DNA AND REMARK 210 REMAINING PROTEIN RESIDUES. THE REMAINING PROTEIN RESIDUES ARE REMARK 210 RENUMBERED STARTING WITH P 100 SO THAT THE RESIDUE NUMBERING REMARK 210 FOLLOWS THE STANDARD, CANONICAL NUMBER ING SCHEME FOR REMARK 210 HOMEODOMAINS. 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 ALA P 93 REMARK 465 SER P 94 REMARK 465 ASP P 95 REMARK 465 GLY P 96 REMARK 465 LEU P 97 REMARK 465 PRO P 98 REMARK 465 ASN P 99 REMARK 465 LYS P 163 REMARK 465 GLY P 164 REMARK 465 TYR P 165 REMARK 465 GLU P 166 REMARK 465 GLY P 167 REMARK 465 HIS P 168 REMARK 465 PRO P 169 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 A 1 C2' DT A 1 C1' 0.060 REMARK 500 DG A 9 C6 DG A 9 N1 0.046 REMARK 500 DG A 11 C6 DG A 11 N1 0.046 REMARK 500 DC A 13 C4 DC A 13 C5 0.049 REMARK 500 DG A 15 C6 DG A 15 N1 0.042 REMARK 500 DC B 18 C4 DC B 18 C5 0.049 REMARK 500 DA B 32 O3' DA B 32 C3' -0.038 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 DT A 1 O4' - C4' - C3' ANGL. DEV. = -2.6 DEGREES REMARK 500 DG A 2 C5 - C6 - N1 ANGL. DEV. = -3.9 DEGREES REMARK 500 DG A 2 N1 - C6 - O6 ANGL. DEV. = 4.8 DEGREES REMARK 500 DT A 1 C3' - O3' - P ANGL. DEV. = 10.8 DEGREES REMARK 500 DT A 3 P - O5' - C5' ANGL. DEV. = -16.9 DEGREES REMARK 500 DG A 4 C5 - C6 - N1 ANGL. DEV. = -4.4 DEGREES REMARK 500 DG A 4 C6 - C5 - N7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DG A 4 N1 - C6 - O6 ANGL. DEV. = 5.8 DEGREES REMARK 500 DT A 5 N3 - C4 - O4 ANGL. DEV. = 3.7 DEGREES REMARK 500 DT A 5 C4 - C5 - C7 ANGL. DEV. = -4.1 DEGREES REMARK 500 DC A 6 C2 - N3 - C4 ANGL. DEV. = 3.2 DEGREES REMARK 500 DA A 8 P - O5' - C5' ANGL. DEV. = -12.3 DEGREES REMARK 500 DA A 8 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DA A 8 C6 - N1 - C2 ANGL. DEV. = 4.1 DEGREES REMARK 500 DA A 8 C2 - N3 - C4 ANGL. DEV. = -3.1 DEGREES REMARK 500 DA A 8 C5 - C6 - N6 ANGL. DEV. = 5.3 DEGREES REMARK 500 DG A 9 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DG A 9 C5 - C6 - N1 ANGL. DEV. = -4.4 DEGREES REMARK 500 DG A 9 N1 - C6 - O6 ANGL. DEV. = 5.6 DEGREES REMARK 500 DG A 9 C8 - N9 - C1' ANGL. DEV. = 8.5 DEGREES REMARK 500 DG A 9 C4 - N9 - C1' ANGL. DEV. = -8.0 DEGREES REMARK 500 DG A 11 C5 - C6 - N1 ANGL. DEV. = -3.1 DEGREES REMARK 500 DG A 11 N1 - C6 - O6 ANGL. DEV. = 4.2 DEGREES REMARK 500 DG A 12 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES REMARK 500 DG A 12 C5 - C6 - N1 ANGL. DEV. = -4.9 DEGREES REMARK 500 DG A 12 N1 - C6 - O6 ANGL. DEV. = 4.8 DEGREES REMARK 500 DC A 13 C4 - C5 - C6 ANGL. DEV. = -3.4 DEGREES REMARK 500 DG A 15 O4' - C1' - N9 ANGL. DEV. = -6.6 DEGREES REMARK 500 DG A 15 C5 - C6 - N1 ANGL. DEV. = -4.4 DEGREES REMARK 500 DG A 15 N1 - C6 - O6 ANGL. DEV. = 4.3 DEGREES REMARK 500 DT A 16 O4' - C4' - C3' ANGL. DEV. = -4.3 DEGREES REMARK 500 DT A 16 C4 - C5 - C7 ANGL. DEV. = -3.8 DEGREES REMARK 500 DT A 16 C6 - C5 - C7 ANGL. DEV. = 3.9 DEGREES REMARK 500 DA B 17 O4' - C1' - N9 ANGL. DEV. = -5.0 DEGREES REMARK 500 DA B 17 C3' - O3' - P ANGL. DEV. = 7.8 DEGREES REMARK 500 DA B 19 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DG B 20 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 DG B 20 C5 - C6 - N1 ANGL. DEV. = -4.5 DEGREES REMARK 500 DG B 20 N1 - C6 - O6 ANGL. DEV. = 3.9 DEGREES REMARK 500 DC B 21 C2 - N3 - C4 ANGL. DEV. = 3.0 DEGREES REMARK 500 DC B 21 C3' - O3' - P ANGL. DEV. = 8.6 DEGREES REMARK 500 DA B 23 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DA B 23 C6 - N1 - C2 ANGL. DEV. = 3.7 DEGREES REMARK 500 DC B 24 C6 - N1 - C2 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC B 24 C2 - N1 - C1' ANGL. DEV. = -8.0 DEGREES REMARK 500 DT B 25 N3 - C4 - O4 ANGL. DEV. = 3.8 DEGREES REMARK 500 DT B 26 N3 - C4 - O4 ANGL. DEV. = 3.6 DEGREES REMARK 500 DT B 26 C4 - C5 - C7 ANGL. DEV. = -5.5 DEGREES REMARK 500 DT B 26 C6 - C5 - C7 ANGL. DEV. = 4.9 DEGREES REMARK 500 DG B 27 C5 - C6 - N1 ANGL. DEV. = -3.8 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 63 ANGLE DEVIATIONS. 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 ARG P 102 51.16 -92.36 REMARK 500 LYS P 103 66.82 31.84 REMARK 500 ARG P 139 22.87 85.47 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 DG A 4 0.06 SIDE_CHAIN REMARK 500 DG A 9 0.06 SIDE_CHAIN REMARK 500 DT B 26 0.12 SIDE_CHAIN REMARK 500 DA B 28 0.09 SIDE_CHAIN REMARK 500 PHE P 149 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1NK2 RELATED DB: PDB REMARK 900 ENSEMBLE OF 20 STRUCTURES DBREF 1NK3 P 100 162 UNP P22808 VND_DROME 68 130 DBREF 1NK3 A 1 16 PDB 1NK3 1NK3 1 16 DBREF 1NK3 B 17 32 PDB 1NK3 1NK3 17 32 SEQRES 1 A 16 DT DG DT DG DT DC DA DA DG DT DG DG DC SEQRES 2 A 16 DT DG DT SEQRES 1 B 16 DA DC DA DG DC DC DA DC DT DT DG DA DC SEQRES 2 B 16 DA DC DA SEQRES 1 P 77 ALA SER ASP GLY LEU PRO ASN LYS LYS ARG LYS ARG ARG SEQRES 2 P 77 VAL LEU PHE THR LYS ALA GLN THR TYR GLU LEU GLU ARG SEQRES 3 P 77 ARG PHE ARG GLN GLN ARG TYR LEU SER ALA PRO GLU ARG SEQRES 4 P 77 GLU HIS LEU ALA SER LEU ILE ARG LEU THR PRO THR GLN SEQRES 5 P 77 VAL LYS ILE TRP PHE GLN ASN HIS ARG TYR LYS THR LYS SEQRES 6 P 77 ARG ALA GLN ASN GLU LYS GLY TYR GLU GLY HIS PRO HELIX 1 I LYS P 110 GLN P 122 1 13 HELIX 2 II ALA P 128 ILE P 138 1 11 HELIX 3 III PRO P 142 GLU P 162 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: P 141 THR OG1 : rot 180:sc= -0.199 USER MOD Set 1.2: P 144 GLN : amide:sc= 0 K(o=-0.2,f=-2!) USER MOD Single : A 1 DT C7 :methyl 150:sc= -0.964 (180deg=-0.964) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl -30:sc= -0.879 (180deg=-1.73!) USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.135 (180deg=-0.226) USER MOD Single : A 10 DT C7 :methyl -30:sc= -1.22 (180deg=-1.58!) USER MOD Single : A 14 DT C7 :methyl -30:sc= -2.93! (180deg=-5.66!) USER MOD Single : A 16 DT C7 :methyl 150:sc= -9.9! (180deg=-9.9!) USER MOD Single : A 16 DT O3' : rot 180:sc= 0 USER MOD Single : B 17 DA O5' : rot 180:sc= 0 USER MOD Single : B 25 DT C7 :methyl 150:sc= -0.893 (180deg=-0.893) USER MOD Single : B 26 DT C7 :methyl 150:sc= -0.156 (180deg=-0.156) USER MOD Single : B 32 DA O3' : rot 180:sc= 0 USER MOD Single : P 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 101 LYS NZ :NH3+ -115:sc= -0.352 (180deg=-0.844) USER MOD Single : P 103 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.182) USER MOD Single : P 109 THR OG1 : rot 180:sc= -0.104 USER MOD Single : P 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 112 GLN : amide:sc= -0.758 K(o=-0.76,f=-6.5!) USER MOD Single : P 113 THR OG1 : rot 82:sc= 0.0897 USER MOD Single : P 114 TYR OH : rot 180:sc= 0 USER MOD Single : P 122 GLN : amide:sc=-0.00309 K(o=-0.0031,f=-0.72) USER MOD Single : P 123 GLN : amide:sc= -0.976 X(o=-0.98,f=-0.93) USER MOD Single : P 125 TYR OH : rot 180:sc= 0 USER MOD Single : P 127 SER OG : rot 180:sc= 0.00983 USER MOD Single : P 133 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.028) USER MOD Single : P 136 SER OG : rot -22:sc= 0.359 USER MOD Single : P 143 THR OG1 : rot 180:sc= 0 USER MOD Single : P 146 LYS NZ :NH3+ -116:sc= 0.383 (180deg=0) USER MOD Single : P 150 GLN : amide:sc= -0.0031 K(o=-0.0031,f=-0.73) USER MOD Single : P 151 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.17) USER MOD Single : P 152 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-3.8!) USER MOD Single : P 154 TYR OH : rot 66:sc= 0.888 USER MOD Single : P 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 156 THR OG1 : rot 180:sc= 0 USER MOD Single : P 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 160 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : P 161 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -18.066 23.089 2.662 1.00 3.18 O ATOM 2 C5' DT A 1 -18.455 21.832 2.130 1.00 2.67 C ATOM 3 C4' DT A 1 -17.307 20.839 2.139 1.00 2.06 C ATOM 4 O4' DT A 1 -16.953 20.516 3.471 1.00 1.95 O ATOM 5 C3' DT A 1 -17.487 19.452 1.515 1.00 1.93 C ATOM 6 O3' DT A 1 -17.745 19.350 0.128 1.00 2.02 O ATOM 7 C2' DT A 1 -16.220 18.790 2.065 1.00 1.76 C ATOM 8 C1' DT A 1 -16.021 19.471 3.476 1.00 1.77 C ATOM 9 N1 DT A 1 -16.337 18.664 4.661 1.00 1.97 N ATOM 10 C2 DT A 1 -17.125 19.231 5.666 1.00 2.49 C ATOM 11 O2 DT A 1 -17.589 20.364 5.599 1.00 2.80 O ATOM 12 N3 DT A 1 -17.333 18.361 6.749 1.00 2.80 N ATOM 13 C4 DT A 1 -16.822 17.054 6.931 1.00 2.64 C ATOM 14 O4 DT A 1 -17.086 16.359 7.902 1.00 3.05 O ATOM 15 C5 DT A 1 -15.921 16.611 5.864 1.00 2.11 C ATOM 16 C7 DT A 1 -15.323 15.244 6.039 1.00 2.15 C ATOM 17 C6 DT A 1 -15.704 17.437 4.837 1.00 1.85 C ATOM 0 H5' DT A 1 -18.814 21.964 1.109 1.00 2.67 H new ATOM 0 H5'' DT A 1 -19.286 21.432 2.711 1.00 2.67 H new ATOM 0 H4' DT A 1 -16.589 21.391 1.532 1.00 2.06 H new ATOM 0 H3' DT A 1 -18.423 18.959 1.778 1.00 1.93 H new ATOM 0 H2' DT A 1 -16.340 17.710 2.155 1.00 1.76 H new ATOM 0 H2'' DT A 1 -15.363 18.962 1.413 1.00 1.76 H new ATOM 0 HO5' DT A 1 -18.829 23.704 2.639 1.00 3.18 H new ATOM 0 H1' DT A 1 -14.963 19.717 3.570 1.00 1.77 H new ATOM 0 H3 DT A 1 -17.927 18.716 7.498 1.00 2.80 H new ATOM 0 H71 DT A 1 -15.140 14.799 5.061 1.00 2.15 H new ATOM 0 H72 DT A 1 -14.382 15.325 6.583 1.00 2.15 H new ATOM 0 H73 DT A 1 -16.013 14.614 6.601 1.00 2.15 H new ATOM 0 H6 DT A 1 -14.986 17.131 4.090 1.00 1.85 H new ATOM 31 P DG A 2 -17.074 20.080 -1.091 1.00 1.83 P ATOM 32 OP1 DG A 2 -16.984 21.554 -0.831 1.00 2.22 O ATOM 33 OP2 DG A 2 -17.779 19.611 -2.312 1.00 2.40 O ATOM 34 O5' DG A 2 -15.608 19.462 -1.105 1.00 1.77 O ATOM 35 C5' DG A 2 -14.561 20.332 -0.713 1.00 1.62 C ATOM 36 C4' DG A 2 -13.240 19.572 -0.716 1.00 1.40 C ATOM 37 O4' DG A 2 -13.296 18.535 0.265 1.00 1.31 O ATOM 38 C3' DG A 2 -12.865 18.918 -2.060 1.00 1.31 C ATOM 39 O3' DG A 2 -11.471 19.082 -2.231 1.00 1.31 O ATOM 40 C2' DG A 2 -13.185 17.440 -1.796 1.00 1.20 C ATOM 41 C1' DG A 2 -12.808 17.341 -0.307 1.00 1.19 C ATOM 42 N9 DG A 2 -13.318 16.227 0.452 1.00 1.18 N ATOM 43 C8 DG A 2 -14.619 15.787 0.565 1.00 1.28 C ATOM 44 N7 DG A 2 -14.808 14.840 1.435 1.00 1.27 N ATOM 45 C5 DG A 2 -13.550 14.648 1.960 1.00 1.16 C ATOM 46 C6 DG A 2 -13.172 13.719 2.990 1.00 1.13 C ATOM 47 O6 DG A 2 -13.891 12.936 3.591 1.00 1.19 O ATOM 48 N1 DG A 2 -11.763 13.860 3.203 1.00 1.08 N ATOM 49 C2 DG A 2 -10.914 14.780 2.582 1.00 1.08 C ATOM 50 N2 DG A 2 -9.597 14.741 2.998 1.00 1.18 N ATOM 51 N3 DG A 2 -11.298 15.622 1.637 1.00 1.07 N ATOM 52 C4 DG A 2 -12.621 15.500 1.377 1.00 1.11 C ATOM 0 H5' DG A 2 -14.760 20.733 0.281 1.00 1.62 H new ATOM 0 H5'' DG A 2 -14.506 21.181 -1.394 1.00 1.62 H new ATOM 0 H4' DG A 2 -12.478 20.322 -0.505 1.00 1.40 H new ATOM 0 H3' DG A 2 -13.372 19.319 -2.937 1.00 1.31 H new ATOM 0 H2' DG A 2 -14.234 17.203 -1.976 1.00 1.20 H new ATOM 0 H2'' DG A 2 -12.595 16.769 -2.420 1.00 1.20 H new ATOM 0 H1' DG A 2 -11.730 17.184 -0.267 1.00 1.19 H new ATOM 0 H8 DG A 2 -15.423 16.199 -0.026 1.00 1.28 H new ATOM 0 H1 DG A 2 -11.336 13.224 3.876 1.00 1.08 H new ATOM 0 H21 DG A 2 -8.915 15.381 2.592 1.00 1.18 H new ATOM 0 H22 DG A 2 -9.307 14.072 3.711 1.00 1.18 H new ATOM 64 P DT A 3 -10.916 19.856 -3.508 1.00 1.58 P ATOM 65 OP1 DT A 3 -10.943 21.321 -3.258 1.00 2.14 O ATOM 66 OP2 DT A 3 -11.564 19.310 -4.740 1.00 2.07 O ATOM 67 O5' DT A 3 -9.413 19.339 -3.435 1.00 1.46 O ATOM 68 C5' DT A 3 -9.534 17.990 -2.989 1.00 1.09 C ATOM 69 C4' DT A 3 -8.248 17.458 -2.359 1.00 0.98 C ATOM 70 O4' DT A 3 -8.517 16.372 -1.479 1.00 0.89 O ATOM 71 C3' DT A 3 -7.190 16.955 -3.337 1.00 0.96 C ATOM 72 O3' DT A 3 -5.949 17.211 -2.715 1.00 0.98 O ATOM 73 C2' DT A 3 -7.551 15.459 -3.456 1.00 0.85 C ATOM 74 C1' DT A 3 -8.096 15.141 -2.039 1.00 0.79 C ATOM 75 N1 DT A 3 -9.180 14.196 -1.832 1.00 0.78 N ATOM 76 C2 DT A 3 -9.127 13.287 -0.795 1.00 0.71 C ATOM 77 O2 DT A 3 -8.113 13.102 -0.124 1.00 0.67 O ATOM 78 N3 DT A 3 -10.344 12.631 -0.568 1.00 0.77 N ATOM 79 C4 DT A 3 -11.572 12.747 -1.259 1.00 0.90 C ATOM 80 O4 DT A 3 -12.552 12.063 -0.997 1.00 1.00 O ATOM 81 C5 DT A 3 -11.546 13.795 -2.276 1.00 0.96 C ATOM 82 C7 DT A 3 -12.812 14.094 -3.027 1.00 1.13 C ATOM 83 C6 DT A 3 -10.400 14.457 -2.458 1.00 0.91 C ATOM 0 H5' DT A 3 -9.809 17.357 -3.832 1.00 1.09 H new ATOM 0 H5'' DT A 3 -10.344 17.923 -2.262 1.00 1.09 H new ATOM 0 H4' DT A 3 -7.851 18.334 -1.847 1.00 0.98 H new ATOM 0 H3' DT A 3 -7.143 17.407 -4.328 1.00 0.96 H new ATOM 0 H2' DT A 3 -8.298 15.281 -4.229 1.00 0.85 H new ATOM 0 H2'' DT A 3 -6.683 14.849 -3.705 1.00 0.85 H new ATOM 0 H1' DT A 3 -7.252 14.624 -1.581 1.00 0.79 H new ATOM 0 H3 DT A 3 -10.344 11.972 0.211 1.00 0.77 H new ATOM 0 H71 DT A 3 -13.414 13.188 -3.100 1.00 1.13 H new ATOM 0 H72 DT A 3 -13.376 14.863 -2.498 1.00 1.13 H new ATOM 0 H73 DT A 3 -12.566 14.448 -4.028 1.00 1.13 H new ATOM 0 H6 DT A 3 -10.419 15.277 -3.161 1.00 0.91 H new ATOM 96 P DG A 4 -4.585 17.033 -3.502 1.00 1.09 P ATOM 97 OP1 DG A 4 -3.640 18.085 -3.031 1.00 1.45 O ATOM 98 OP2 DG A 4 -4.862 16.887 -4.958 1.00 1.13 O ATOM 99 O5' DG A 4 -4.096 15.626 -2.950 1.00 1.02 O ATOM 100 C5' DG A 4 -3.746 15.614 -1.577 1.00 0.90 C ATOM 101 C4' DG A 4 -3.734 14.171 -1.098 1.00 0.81 C ATOM 102 O4' DG A 4 -4.997 13.590 -1.397 1.00 0.71 O ATOM 103 C3' DG A 4 -2.648 13.307 -1.754 1.00 0.82 C ATOM 104 O3' DG A 4 -2.071 12.498 -0.745 1.00 0.88 O ATOM 105 C2' DG A 4 -3.425 12.542 -2.829 1.00 0.73 C ATOM 106 C1' DG A 4 -4.823 12.445 -2.202 1.00 0.66 C ATOM 107 N9 DG A 4 -5.922 12.364 -3.128 1.00 0.59 N ATOM 108 C8 DG A 4 -6.238 13.204 -4.179 1.00 0.61 C ATOM 109 N7 DG A 4 -7.404 13.002 -4.710 1.00 0.57 N ATOM 110 C5 DG A 4 -7.909 11.972 -3.950 1.00 0.53 C ATOM 111 C6 DG A 4 -9.184 11.339 -4.104 1.00 0.51 C ATOM 112 O6 DG A 4 -10.062 11.632 -4.900 1.00 0.55 O ATOM 113 N1 DG A 4 -9.246 10.278 -3.147 1.00 0.51 N ATOM 114 C2 DG A 4 -8.280 9.932 -2.200 1.00 0.53 C ATOM 115 N2 DG A 4 -8.581 8.843 -1.407 1.00 0.63 N ATOM 116 N3 DG A 4 -7.123 10.555 -2.075 1.00 0.54 N ATOM 117 C4 DG A 4 -7.014 11.564 -2.973 1.00 0.54 C ATOM 0 H5' DG A 4 -4.460 16.200 -0.998 1.00 0.90 H new ATOM 0 H5'' DG A 4 -2.767 16.070 -1.431 1.00 0.90 H new ATOM 0 H4' DG A 4 -3.522 14.196 -0.029 1.00 0.81 H new ATOM 0 H3' DG A 4 -1.809 13.835 -2.209 1.00 0.82 H new ATOM 0 H2' DG A 4 -3.440 13.076 -3.779 1.00 0.73 H new ATOM 0 H2'' DG A 4 -2.995 11.559 -3.022 1.00 0.73 H new ATOM 0 H1' DG A 4 -4.850 11.505 -1.650 1.00 0.66 H new ATOM 0 H8 DG A 4 -5.565 13.971 -4.532 1.00 0.61 H new ATOM 0 H1 DG A 4 -10.093 9.709 -3.157 1.00 0.51 H new ATOM 0 H21 DG A 4 -7.921 8.534 -0.694 1.00 0.63 H new ATOM 0 H22 DG A 4 -9.464 8.348 -1.534 1.00 0.63 H new ATOM 129 P DT A 5 -0.772 11.657 -1.105 1.00 1.18 P ATOM 130 OP1 DT A 5 0.151 11.695 0.065 1.00 1.76 O ATOM 131 OP2 DT A 5 -0.271 12.060 -2.450 1.00 1.72 O ATOM 132 O5' DT A 5 -1.396 10.200 -1.229 1.00 0.93 O ATOM 133 C5' DT A 5 -2.011 9.763 -0.029 1.00 1.08 C ATOM 134 C4' DT A 5 -2.795 8.472 -0.253 1.00 0.87 C ATOM 135 O4' DT A 5 -3.875 8.714 -1.140 1.00 0.70 O ATOM 136 C3' DT A 5 -1.956 7.303 -0.816 1.00 0.75 C ATOM 137 O3' DT A 5 -2.025 6.259 0.136 1.00 0.80 O ATOM 138 C2' DT A 5 -2.639 6.969 -2.161 1.00 0.57 C ATOM 139 C1' DT A 5 -4.024 7.643 -2.043 1.00 0.55 C ATOM 140 N1 DT A 5 -4.714 8.203 -3.188 1.00 0.47 N ATOM 141 C2 DT A 5 -6.044 7.905 -3.419 1.00 0.42 C ATOM 142 O2 DT A 5 -6.662 7.099 -2.726 1.00 0.43 O ATOM 143 N3 DT A 5 -6.598 8.588 -4.510 1.00 0.39 N ATOM 144 C4 DT A 5 -5.966 9.518 -5.358 1.00 0.42 C ATOM 145 O4 DT A 5 -6.510 10.028 -6.329 1.00 0.43 O ATOM 146 C5 DT A 5 -4.592 9.837 -4.965 1.00 0.47 C ATOM 147 C7 DT A 5 -3.879 10.785 -5.880 1.00 0.52 C ATOM 148 C6 DT A 5 -4.066 9.208 -3.911 1.00 0.49 C ATOM 0 H5' DT A 5 -2.680 10.539 0.344 1.00 1.08 H new ATOM 0 H5'' DT A 5 -1.251 9.603 0.736 1.00 1.08 H new ATOM 0 H4' DT A 5 -3.141 8.168 0.735 1.00 0.87 H new ATOM 0 H3' DT A 5 -0.899 7.505 -0.987 1.00 0.75 H new ATOM 0 H2' DT A 5 -2.073 7.361 -3.006 1.00 0.57 H new ATOM 0 H2'' DT A 5 -2.728 5.893 -2.309 1.00 0.57 H new ATOM 0 H1' DT A 5 -4.653 6.794 -1.774 1.00 0.55 H new ATOM 0 H3 DT A 5 -7.577 8.387 -4.715 1.00 0.39 H new ATOM 0 H71 DT A 5 -4.258 10.666 -6.895 1.00 0.52 H new ATOM 0 H72 DT A 5 -4.049 11.809 -5.547 1.00 0.52 H new ATOM 0 H73 DT A 5 -2.810 10.571 -5.865 1.00 0.52 H new ATOM 0 H6 DT A 5 -3.074 9.495 -3.596 1.00 0.49 H new ATOM 161 P DC A 6 -0.872 5.178 0.235 1.00 1.09 P ATOM 162 OP1 DC A 6 -0.849 4.658 1.634 1.00 1.95 O ATOM 163 OP2 DC A 6 0.383 5.706 -0.369 1.00 1.83 O ATOM 164 O5' DC A 6 -1.442 4.045 -0.720 1.00 0.88 O ATOM 165 C5' DC A 6 -2.537 3.342 -0.159 1.00 0.47 C ATOM 166 C4' DC A 6 -3.390 2.706 -1.248 1.00 0.43 C ATOM 167 O4' DC A 6 -3.981 3.751 -2.012 1.00 0.36 O ATOM 168 C3' DC A 6 -2.672 1.769 -2.242 1.00 0.51 C ATOM 169 O3' DC A 6 -2.789 0.450 -1.733 1.00 0.65 O ATOM 170 C2' DC A 6 -3.476 2.009 -3.532 1.00 0.41 C ATOM 171 C1' DC A 6 -4.290 3.313 -3.313 1.00 0.35 C ATOM 172 N1 DC A 6 -4.227 4.430 -4.241 1.00 0.32 N ATOM 173 C2 DC A 6 -5.461 5.045 -4.544 1.00 0.29 C ATOM 174 O2 DC A 6 -6.496 4.600 -4.054 1.00 0.30 O ATOM 175 N3 DC A 6 -5.428 6.094 -5.422 1.00 0.27 N ATOM 176 C4 DC A 6 -4.315 6.547 -5.957 1.00 0.28 C ATOM 177 N4 DC A 6 -4.380 7.545 -6.894 1.00 0.28 N ATOM 178 C5 DC A 6 -3.028 6.024 -5.567 1.00 0.32 C ATOM 179 C6 DC A 6 -3.072 4.962 -4.728 1.00 0.34 C ATOM 0 H5' DC A 6 -3.146 4.024 0.434 1.00 0.47 H new ATOM 0 H5'' DC A 6 -2.170 2.571 0.518 1.00 0.47 H new ATOM 0 H4' DC A 6 -4.097 2.075 -0.709 1.00 0.43 H new ATOM 0 H3' DC A 6 -1.607 1.935 -2.406 1.00 0.51 H new ATOM 0 H2' DC A 6 -2.811 2.107 -4.390 1.00 0.41 H new ATOM 0 H2'' DC A 6 -4.139 1.168 -3.737 1.00 0.41 H new ATOM 0 H1' DC A 6 -5.317 3.000 -3.502 1.00 0.35 H new ATOM 0 H41 DC A 6 -3.524 7.905 -7.316 1.00 0.28 H new ATOM 0 H42 DC A 6 -5.284 7.928 -7.169 1.00 0.28 H new ATOM 0 H5 DC A 6 -2.099 6.448 -5.918 1.00 0.32 H new ATOM 0 H6 DC A 6 -2.138 4.511 -4.428 1.00 0.34 H new ATOM 191 P DA A 7 -1.935 -0.724 -2.377 1.00 0.78 P ATOM 192 OP1 DA A 7 -2.040 -1.902 -1.469 1.00 1.25 O ATOM 193 OP2 DA A 7 -0.588 -0.215 -2.759 1.00 1.23 O ATOM 194 O5' DA A 7 -2.734 -1.037 -3.717 1.00 0.91 O ATOM 195 C5' DA A 7 -3.993 -1.662 -3.534 1.00 0.98 C ATOM 196 C4' DA A 7 -4.772 -1.626 -4.843 1.00 0.70 C ATOM 197 O4' DA A 7 -4.815 -0.278 -5.321 1.00 0.54 O ATOM 198 C3' DA A 7 -4.168 -2.518 -5.962 1.00 0.67 C ATOM 199 O3' DA A 7 -5.202 -3.377 -6.406 1.00 0.69 O ATOM 200 C2' DA A 7 -3.718 -1.495 -7.020 1.00 0.59 C ATOM 201 C1' DA A 7 -4.488 -0.205 -6.686 1.00 0.37 C ATOM 202 N9 DA A 7 -3.697 0.975 -6.940 1.00 0.34 N ATOM 203 C8 DA A 7 -2.392 1.226 -6.578 1.00 0.37 C ATOM 204 N7 DA A 7 -1.931 2.386 -6.918 1.00 0.36 N ATOM 205 C5 DA A 7 -3.010 2.981 -7.555 1.00 0.30 C ATOM 206 C6 DA A 7 -3.178 4.216 -8.196 1.00 0.28 C ATOM 207 N6 DA A 7 -2.217 5.161 -8.351 1.00 0.32 N ATOM 208 N1 DA A 7 -4.383 4.432 -8.730 1.00 0.25 N ATOM 209 C2 DA A 7 -5.339 3.510 -8.667 1.00 0.25 C ATOM 210 N3 DA A 7 -5.310 2.298 -8.105 1.00 0.29 N ATOM 211 C4 DA A 7 -4.122 2.115 -7.568 1.00 0.30 C ATOM 0 H5' DA A 7 -4.554 -1.152 -2.750 1.00 0.98 H new ATOM 0 H5'' DA A 7 -3.855 -2.693 -3.208 1.00 0.98 H new ATOM 0 H4' DA A 7 -5.764 -2.018 -4.620 1.00 0.70 H new ATOM 0 H3' DA A 7 -3.332 -3.157 -5.678 1.00 0.67 H new ATOM 0 H2' DA A 7 -2.641 -1.333 -6.978 1.00 0.59 H new ATOM 0 H2'' DA A 7 -3.949 -1.842 -8.027 1.00 0.59 H new ATOM 0 H1' DA A 7 -5.375 -0.126 -7.315 1.00 0.37 H new ATOM 0 H8 DA A 7 -1.793 0.502 -6.045 1.00 0.37 H new ATOM 0 H61 DA A 7 -2.433 6.033 -8.834 1.00 0.32 H new ATOM 0 H62 DA A 7 -1.279 4.999 -7.985 1.00 0.32 H new ATOM 0 H2 DA A 7 -6.273 3.779 -9.138 1.00 0.25 H new ATOM 223 P DA A 8 -4.818 -4.683 -7.226 1.00 1.28 P ATOM 224 OP1 DA A 8 -5.472 -5.856 -6.600 1.00 2.04 O ATOM 225 OP2 DA A 8 -3.343 -4.703 -7.467 1.00 1.96 O ATOM 226 O5' DA A 8 -5.564 -4.361 -8.592 1.00 1.08 O ATOM 227 C5' DA A 8 -5.410 -2.981 -8.876 1.00 0.70 C ATOM 228 C4' DA A 8 -6.491 -2.501 -9.848 1.00 0.44 C ATOM 229 O4' DA A 8 -6.444 -1.080 -9.982 1.00 0.43 O ATOM 230 C3' DA A 8 -6.407 -3.068 -11.271 1.00 0.50 C ATOM 231 O3' DA A 8 -7.713 -3.103 -11.817 1.00 0.69 O ATOM 232 C2' DA A 8 -5.488 -2.032 -11.933 1.00 0.47 C ATOM 233 C1' DA A 8 -5.858 -0.712 -11.211 1.00 0.35 C ATOM 234 N9 DA A 8 -4.652 0.047 -11.005 1.00 0.31 N ATOM 235 C8 DA A 8 -3.486 -0.433 -10.462 1.00 0.36 C ATOM 236 N7 DA A 8 -2.519 0.413 -10.355 1.00 0.37 N ATOM 237 C5 DA A 8 -3.080 1.575 -10.852 1.00 0.32 C ATOM 238 C6 DA A 8 -2.604 2.876 -10.987 1.00 0.31 C ATOM 239 N6 DA A 8 -1.399 3.381 -10.639 1.00 0.35 N ATOM 240 N1 DA A 8 -3.485 3.747 -11.478 1.00 0.29 N ATOM 241 C2 DA A 8 -4.718 3.409 -11.801 1.00 0.28 C ATOM 242 N3 DA A 8 -5.308 2.215 -11.726 1.00 0.28 N ATOM 243 C4 DA A 8 -4.425 1.366 -11.251 1.00 0.29 C ATOM 0 H5' DA A 8 -4.424 -2.801 -9.304 1.00 0.70 H new ATOM 0 H5'' DA A 8 -5.465 -2.407 -7.951 1.00 0.70 H new ATOM 0 H4' DA A 8 -7.415 -2.864 -9.398 1.00 0.44 H new ATOM 0 H3' DA A 8 -6.030 -4.085 -11.381 1.00 0.50 H new ATOM 0 H2' DA A 8 -4.436 -2.283 -11.798 1.00 0.47 H new ATOM 0 H2'' DA A 8 -5.664 -1.966 -13.007 1.00 0.47 H new ATOM 0 H1' DA A 8 -6.551 -0.098 -11.786 1.00 0.35 H new ATOM 0 H8 DA A 8 -3.385 -1.460 -10.143 1.00 0.36 H new ATOM 0 H61 DA A 8 -1.193 4.367 -10.802 1.00 0.35 H new ATOM 0 H62 DA A 8 -0.696 2.776 -10.214 1.00 0.35 H new ATOM 0 H2 DA A 8 -5.336 4.210 -12.179 1.00 0.28 H new ATOM 255 P DG A 9 -7.957 -3.896 -13.172 1.00 1.04 P ATOM 256 OP1 DG A 9 -9.396 -4.286 -13.218 1.00 1.61 O ATOM 257 OP2 DG A 9 -6.909 -4.941 -13.341 1.00 1.45 O ATOM 258 O5' DG A 9 -7.699 -2.762 -14.261 1.00 1.03 O ATOM 259 C5' DG A 9 -8.745 -1.811 -14.334 1.00 0.97 C ATOM 260 C4' DG A 9 -8.313 -0.520 -15.019 1.00 0.75 C ATOM 261 O4' DG A 9 -7.215 0.090 -14.333 1.00 0.70 O ATOM 262 C3' DG A 9 -7.946 -0.641 -16.514 1.00 0.66 C ATOM 263 O3' DG A 9 -8.786 0.271 -17.196 1.00 0.71 O ATOM 264 C2' DG A 9 -6.458 -0.265 -16.519 1.00 0.59 C ATOM 265 C1' DG A 9 -6.310 0.617 -15.269 1.00 0.59 C ATOM 266 N9 DG A 9 -4.983 0.655 -14.718 1.00 0.55 N ATOM 267 C8 DG A 9 -4.112 -0.269 -14.198 1.00 0.55 C ATOM 268 N7 DG A 9 -2.920 0.193 -13.954 1.00 0.49 N ATOM 269 C5 DG A 9 -3.008 1.516 -14.338 1.00 0.44 C ATOM 270 C6 DG A 9 -1.960 2.494 -14.378 1.00 0.39 C ATOM 271 O6 DG A 9 -0.786 2.334 -14.087 1.00 0.43 O ATOM 272 N1 DG A 9 -2.543 3.721 -14.848 1.00 0.38 N ATOM 273 C2 DG A 9 -3.848 3.908 -15.316 1.00 0.41 C ATOM 274 N2 DG A 9 -4.129 5.160 -15.814 1.00 0.43 N ATOM 275 N3 DG A 9 -4.769 2.958 -15.328 1.00 0.46 N ATOM 276 C4 DG A 9 -4.274 1.813 -14.809 1.00 0.47 C ATOM 0 H5' DG A 9 -9.097 -1.584 -13.327 1.00 0.97 H new ATOM 0 H5'' DG A 9 -9.587 -2.242 -14.876 1.00 0.97 H new ATOM 0 H4' DG A 9 -9.208 0.100 -14.970 1.00 0.75 H new ATOM 0 H3' DG A 9 -8.084 -1.608 -16.997 1.00 0.66 H new ATOM 0 H2' DG A 9 -5.820 -1.147 -16.466 1.00 0.59 H new ATOM 0 H2'' DG A 9 -6.183 0.273 -17.426 1.00 0.59 H new ATOM 0 H1' DG A 9 -6.515 1.654 -15.535 1.00 0.59 H new ATOM 0 H8 DG A 9 -4.392 -1.294 -14.007 1.00 0.55 H new ATOM 0 H1 DG A 9 -1.940 4.544 -14.839 1.00 0.38 H new ATOM 0 H21 DG A 9 -5.061 5.369 -16.173 1.00 0.43 H new ATOM 0 H22 DG A 9 -3.406 5.879 -15.824 1.00 0.43 H new ATOM 288 P DT A 10 -8.960 0.154 -18.768 1.00 1.15 P ATOM 289 OP1 DT A 10 -10.262 0.783 -19.131 1.00 1.97 O ATOM 290 OP2 DT A 10 -8.671 -1.239 -19.214 1.00 2.03 O ATOM 291 O5' DT A 10 -7.773 1.085 -19.269 1.00 0.88 O ATOM 292 C5' DT A 10 -7.891 2.433 -18.850 1.00 0.75 C ATOM 293 C4' DT A 10 -6.658 3.237 -19.252 1.00 0.58 C ATOM 294 O4' DT A 10 -5.512 2.856 -18.512 1.00 0.53 O ATOM 295 C3' DT A 10 -6.295 3.150 -20.752 1.00 0.56 C ATOM 296 O3' DT A 10 -6.613 4.424 -21.271 1.00 0.60 O ATOM 297 C2' DT A 10 -4.804 2.742 -20.728 1.00 0.52 C ATOM 298 C1' DT A 10 -4.378 3.126 -19.305 1.00 0.46 C ATOM 299 N1 DT A 10 -3.299 2.403 -18.667 1.00 0.43 N ATOM 300 C2 DT A 10 -2.086 2.969 -18.352 1.00 0.40 C ATOM 301 O2 DT A 10 -1.804 4.132 -18.640 1.00 0.45 O ATOM 302 N3 DT A 10 -1.245 2.101 -17.649 1.00 0.37 N ATOM 303 C4 DT A 10 -1.439 0.741 -17.334 1.00 0.43 C ATOM 304 O4 DT A 10 -0.595 0.055 -16.773 1.00 0.49 O ATOM 305 C5 DT A 10 -2.750 0.240 -17.734 1.00 0.49 C ATOM 306 C7 DT A 10 -3.046 -1.201 -17.461 1.00 0.58 C ATOM 307 C6 DT A 10 -3.594 1.086 -18.324 1.00 0.48 C ATOM 0 H5' DT A 10 -8.019 2.472 -17.768 1.00 0.75 H new ATOM 0 H5'' DT A 10 -8.782 2.879 -19.293 1.00 0.75 H new ATOM 0 H4' DT A 10 -6.943 4.265 -19.029 1.00 0.58 H new ATOM 0 H3' DT A 10 -6.815 2.434 -21.389 1.00 0.56 H new ATOM 0 H2' DT A 10 -4.672 1.677 -20.918 1.00 0.52 H new ATOM 0 H2'' DT A 10 -4.225 3.275 -21.483 1.00 0.52 H new ATOM 0 H1' DT A 10 -4.012 4.150 -19.387 1.00 0.46 H new ATOM 0 H3 DT A 10 -0.370 2.508 -17.318 1.00 0.37 H new ATOM 0 H71 DT A 10 -2.121 -1.776 -17.497 1.00 0.58 H new ATOM 0 H72 DT A 10 -3.496 -1.299 -16.473 1.00 0.58 H new ATOM 0 H73 DT A 10 -3.738 -1.579 -18.214 1.00 0.58 H new ATOM 0 H6 DT A 10 -4.584 0.722 -18.554 1.00 0.48 H new ATOM 320 P DG A 11 -6.559 4.710 -22.827 1.00 0.80 P ATOM 321 OP1 DG A 11 -7.252 6.007 -23.073 1.00 1.07 O ATOM 322 OP2 DG A 11 -6.996 3.495 -23.572 1.00 1.06 O ATOM 323 O5' DG A 11 -5.004 4.897 -23.074 1.00 0.90 O ATOM 324 C5' DG A 11 -4.387 6.023 -22.479 1.00 0.78 C ATOM 325 C4' DG A 11 -2.868 5.954 -22.670 1.00 0.64 C ATOM 326 O4' DG A 11 -2.300 4.878 -21.924 1.00 0.55 O ATOM 327 C3' DG A 11 -2.490 5.738 -24.146 1.00 0.65 C ATOM 328 O3' DG A 11 -1.340 6.504 -24.463 1.00 0.71 O ATOM 329 C2' DG A 11 -2.177 4.236 -24.187 1.00 0.60 C ATOM 330 C1' DG A 11 -1.551 4.055 -22.797 1.00 0.48 C ATOM 331 N9 DG A 11 -1.474 2.724 -22.247 1.00 0.43 N ATOM 332 C8 DG A 11 -2.370 1.676 -22.259 1.00 0.47 C ATOM 333 N7 DG A 11 -2.045 0.664 -21.510 1.00 0.48 N ATOM 334 C5 DG A 11 -0.860 1.069 -20.940 1.00 0.41 C ATOM 335 C6 DG A 11 -0.059 0.352 -19.989 1.00 0.42 C ATOM 336 O6 DG A 11 -0.275 -0.755 -19.521 1.00 0.48 O ATOM 337 N1 DG A 11 1.080 1.161 -19.652 1.00 0.37 N ATOM 338 C2 DG A 11 1.386 2.420 -20.188 1.00 0.34 C ATOM 339 N2 DG A 11 2.565 3.047 -19.836 1.00 0.34 N ATOM 340 N3 DG A 11 0.604 3.048 -21.061 1.00 0.38 N ATOM 341 C4 DG A 11 -0.495 2.331 -21.375 1.00 0.38 C ATOM 0 H5' DG A 11 -4.626 6.059 -21.416 1.00 0.78 H new ATOM 0 H5'' DG A 11 -4.776 6.938 -22.925 1.00 0.78 H new ATOM 0 H4' DG A 11 -2.477 6.909 -22.319 1.00 0.64 H new ATOM 0 H3' DG A 11 -3.261 6.037 -24.856 1.00 0.65 H new ATOM 0 H2' DG A 11 -3.071 3.628 -24.324 1.00 0.60 H new ATOM 0 H2'' DG A 11 -1.489 3.976 -24.991 1.00 0.60 H new ATOM 0 H1' DG A 11 -0.500 4.320 -22.908 1.00 0.48 H new ATOM 0 H8 DG A 11 -3.275 1.694 -22.847 1.00 0.47 H new ATOM 0 H1 DG A 11 1.726 0.784 -18.958 1.00 0.37 H new ATOM 0 H21 DG A 11 2.791 3.963 -20.224 1.00 0.34 H new ATOM 0 H22 DG A 11 3.210 2.594 -19.188 1.00 0.34 H new ATOM 353 P DG A 12 -1.134 6.932 -25.981 1.00 1.18 P ATOM 354 OP1 DG A 12 -1.102 8.423 -26.049 1.00 1.84 O ATOM 355 OP2 DG A 12 -2.086 6.178 -26.846 1.00 2.04 O ATOM 356 O5' DG A 12 0.320 6.374 -26.256 1.00 1.09 O ATOM 357 C5' DG A 12 1.361 7.131 -25.667 1.00 0.85 C ATOM 358 C4' DG A 12 2.667 6.338 -25.654 1.00 0.80 C ATOM 359 O4' DG A 12 2.520 5.177 -24.831 1.00 0.70 O ATOM 360 C3' DG A 12 3.116 5.849 -27.049 1.00 0.88 C ATOM 361 O3' DG A 12 4.533 5.854 -27.130 1.00 1.02 O ATOM 362 C2' DG A 12 2.598 4.407 -27.061 1.00 0.84 C ATOM 363 C1' DG A 12 2.809 4.022 -25.590 1.00 0.70 C ATOM 364 N9 DG A 12 2.070 2.892 -25.082 1.00 0.60 N ATOM 365 C8 DG A 12 0.790 2.438 -25.313 1.00 0.60 C ATOM 366 N7 DG A 12 0.451 1.383 -24.633 1.00 0.56 N ATOM 367 C5 DG A 12 1.573 1.119 -23.882 1.00 0.52 C ATOM 368 C6 DG A 12 1.762 0.050 -22.941 1.00 0.52 C ATOM 369 O6 DG A 12 0.981 -0.834 -22.623 1.00 0.57 O ATOM 370 N1 DG A 12 3.083 0.196 -22.416 1.00 0.49 N ATOM 371 C2 DG A 12 4.019 1.183 -22.712 1.00 0.48 C ATOM 372 N2 DG A 12 5.196 1.069 -22.006 1.00 0.48 N ATOM 373 N3 DG A 12 3.812 2.154 -23.583 1.00 0.53 N ATOM 374 C4 DG A 12 2.577 2.047 -24.134 1.00 0.54 C ATOM 0 H5' DG A 12 1.086 7.405 -24.648 1.00 0.85 H new ATOM 0 H5'' DG A 12 1.500 8.060 -26.220 1.00 0.85 H new ATOM 0 H4' DG A 12 3.421 7.027 -25.274 1.00 0.80 H new ATOM 0 H3' DG A 12 2.752 6.461 -27.874 1.00 0.88 H new ATOM 0 H2' DG A 12 1.552 4.345 -27.360 1.00 0.84 H new ATOM 0 H2'' DG A 12 3.162 3.769 -27.742 1.00 0.84 H new ATOM 0 H1' DG A 12 3.840 3.678 -25.507 1.00 0.70 H new ATOM 0 H8 DG A 12 0.119 2.922 -26.007 1.00 0.60 H new ATOM 0 H1 DG A 12 3.376 -0.510 -21.741 1.00 0.49 H new ATOM 0 H21 DG A 12 5.946 1.745 -22.152 1.00 0.48 H new ATOM 0 H22 DG A 12 5.318 0.309 -21.337 1.00 0.48 H new ATOM 386 P DC A 13 5.144 6.066 -28.588 1.00 1.43 P ATOM 387 OP1 DC A 13 5.670 7.461 -28.685 1.00 1.82 O ATOM 388 OP2 DC A 13 4.174 5.578 -29.610 1.00 1.98 O ATOM 389 O5' DC A 13 6.362 5.060 -28.548 1.00 1.35 O ATOM 390 C5' DC A 13 7.313 5.374 -27.547 1.00 1.47 C ATOM 391 C4' DC A 13 8.174 4.155 -27.262 1.00 1.21 C ATOM 392 O4' DC A 13 7.326 3.085 -26.864 1.00 1.13 O ATOM 393 C3' DC A 13 9.037 3.646 -28.446 1.00 1.17 C ATOM 394 O3' DC A 13 10.371 4.061 -28.215 1.00 1.16 O ATOM 395 C2' DC A 13 8.785 2.121 -28.423 1.00 1.13 C ATOM 396 C1' DC A 13 7.958 1.865 -27.146 1.00 1.08 C ATOM 397 N1 DC A 13 6.903 0.866 -27.299 1.00 1.15 N ATOM 398 C2 DC A 13 7.168 -0.485 -27.014 1.00 1.60 C ATOM 399 O2 DC A 13 8.241 -0.799 -26.507 1.00 1.97 O ATOM 400 N3 DC A 13 6.179 -1.369 -27.352 1.00 1.70 N ATOM 401 C4 DC A 13 5.027 -0.987 -27.857 1.00 1.31 C ATOM 402 N4 DC A 13 4.128 -1.987 -28.140 1.00 1.39 N ATOM 403 C5 DC A 13 4.709 0.428 -28.122 1.00 0.95 C ATOM 404 C6 DC A 13 5.715 1.283 -27.825 1.00 0.94 C ATOM 0 H5' DC A 13 6.806 5.694 -26.637 1.00 1.47 H new ATOM 0 H5'' DC A 13 7.938 6.205 -27.873 1.00 1.47 H new ATOM 0 H4' DC A 13 8.873 4.475 -26.489 1.00 1.21 H new ATOM 0 H3' DC A 13 8.802 4.031 -29.438 1.00 1.17 H new ATOM 0 H2' DC A 13 8.245 1.798 -29.313 1.00 1.13 H new ATOM 0 H2'' DC A 13 9.724 1.567 -28.401 1.00 1.13 H new ATOM 0 H1' DC A 13 8.631 1.493 -26.373 1.00 1.08 H new ATOM 0 H41 DC A 13 3.216 -1.756 -28.534 1.00 1.39 H new ATOM 0 H42 DC A 13 4.373 -2.960 -27.956 1.00 1.39 H new ATOM 0 H5 DC A 13 3.758 0.753 -28.518 1.00 0.95 H new ATOM 0 H6 DC A 13 5.572 2.337 -28.012 1.00 0.94 H new ATOM 416 P DT A 14 11.457 3.908 -29.365 1.00 1.52 P ATOM 417 OP1 DT A 14 12.587 4.824 -29.041 1.00 2.16 O ATOM 418 OP2 DT A 14 10.795 4.003 -30.697 1.00 2.05 O ATOM 419 O5' DT A 14 11.944 2.405 -29.171 1.00 1.48 O ATOM 420 C5' DT A 14 12.646 2.159 -27.967 1.00 1.30 C ATOM 421 C4' DT A 14 12.759 0.669 -27.669 1.00 1.33 C ATOM 422 O4' DT A 14 11.486 0.055 -27.610 1.00 1.25 O ATOM 423 C3' DT A 14 13.569 -0.184 -28.655 1.00 1.50 C ATOM 424 O3' DT A 14 14.948 0.056 -28.401 1.00 1.55 O ATOM 425 C2' DT A 14 13.003 -1.595 -28.374 1.00 1.52 C ATOM 426 C1' DT A 14 11.618 -1.339 -27.720 1.00 1.36 C ATOM 427 N1 DT A 14 10.379 -1.809 -28.338 1.00 1.33 N ATOM 428 C2 DT A 14 9.881 -3.073 -28.102 1.00 1.29 C ATOM 429 O2 DT A 14 10.497 -3.894 -27.422 1.00 1.30 O ATOM 430 N3 DT A 14 8.612 -3.292 -28.650 1.00 1.29 N ATOM 431 C4 DT A 14 7.855 -2.427 -29.472 1.00 1.33 C ATOM 432 O4 DT A 14 6.754 -2.728 -29.917 1.00 1.35 O ATOM 433 C5 DT A 14 8.516 -1.145 -29.734 1.00 1.36 C ATOM 434 C7 DT A 14 7.792 -0.179 -30.627 1.00 1.44 C ATOM 435 C6 DT A 14 9.700 -0.907 -29.156 1.00 1.36 C ATOM 0 H5' DT A 14 12.137 2.657 -27.142 1.00 1.30 H new ATOM 0 H5'' DT A 14 13.644 2.593 -28.034 1.00 1.30 H new ATOM 0 H4' DT A 14 13.292 0.683 -26.718 1.00 1.33 H new ATOM 0 H3' DT A 14 13.489 0.017 -29.723 1.00 1.50 H new ATOM 0 H2' DT A 14 12.907 -2.174 -29.293 1.00 1.52 H new ATOM 0 H2'' DT A 14 13.657 -2.159 -27.709 1.00 1.52 H new ATOM 0 H1' DT A 14 11.677 -1.939 -26.812 1.00 1.36 H new ATOM 0 H3 DT A 14 8.179 -4.189 -28.428 1.00 1.29 H new ATOM 0 H71 DT A 14 7.183 -0.731 -31.343 1.00 1.44 H new ATOM 0 H72 DT A 14 7.150 0.463 -30.024 1.00 1.44 H new ATOM 0 H73 DT A 14 8.517 0.433 -31.164 1.00 1.44 H new ATOM 0 H6 DT A 14 10.162 0.052 -29.336 1.00 1.36 H new ATOM 448 P DG A 15 16.000 -0.915 -29.072 1.00 1.87 P ATOM 449 OP1 DG A 15 17.299 -0.197 -29.176 1.00 2.46 O ATOM 450 OP2 DG A 15 15.399 -1.523 -30.303 1.00 2.18 O ATOM 451 O5' DG A 15 16.113 -2.010 -27.924 1.00 1.77 O ATOM 452 C5' DG A 15 16.529 -3.326 -28.227 1.00 1.81 C ATOM 453 C4' DG A 15 15.714 -4.328 -27.415 1.00 1.79 C ATOM 454 O4' DG A 15 14.364 -4.343 -27.875 1.00 1.69 O ATOM 455 C3' DG A 15 16.235 -5.781 -27.467 1.00 1.88 C ATOM 456 O3' DG A 15 16.378 -6.257 -26.143 1.00 1.90 O ATOM 457 C2' DG A 15 15.100 -6.514 -28.202 1.00 1.85 C ATOM 458 C1' DG A 15 13.885 -5.663 -27.809 1.00 1.72 C ATOM 459 N9 DG A 15 12.754 -5.601 -28.702 1.00 1.68 N ATOM 460 C8 DG A 15 12.614 -4.554 -29.575 1.00 1.69 C ATOM 461 N7 DG A 15 11.619 -4.675 -30.405 1.00 1.68 N ATOM 462 C5 DG A 15 11.078 -5.897 -30.051 1.00 1.66 C ATOM 463 C6 DG A 15 10.018 -6.603 -30.715 1.00 1.67 C ATOM 464 O6 DG A 15 9.319 -6.234 -31.645 1.00 1.69 O ATOM 465 N1 DG A 15 9.912 -7.888 -30.089 1.00 1.69 N ATOM 466 C2 DG A 15 10.668 -8.389 -29.026 1.00 1.70 C ATOM 467 N2 DG A 15 10.334 -9.661 -28.616 1.00 1.76 N ATOM 468 N3 DG A 15 11.635 -7.710 -28.433 1.00 1.69 N ATOM 469 C4 DG A 15 11.784 -6.496 -29.011 1.00 1.67 C ATOM 0 H5' DG A 15 17.590 -3.442 -28.005 1.00 1.81 H new ATOM 0 H5'' DG A 15 16.404 -3.520 -29.292 1.00 1.81 H new ATOM 0 H4' DG A 15 15.801 -3.986 -26.384 1.00 1.79 H new ATOM 0 H3' DG A 15 17.201 -5.908 -27.955 1.00 1.88 H new ATOM 0 H2' DG A 15 15.255 -6.535 -29.281 1.00 1.85 H new ATOM 0 H2'' DG A 15 15.000 -7.549 -27.875 1.00 1.85 H new ATOM 0 H1' DG A 15 13.532 -6.097 -26.873 1.00 1.72 H new ATOM 0 H8 DG A 15 13.274 -3.700 -29.574 1.00 1.69 H new ATOM 0 H1 DG A 15 9.198 -8.512 -30.465 1.00 1.69 H new ATOM 0 H21 DG A 15 10.840 -10.098 -27.845 1.00 1.76 H new ATOM 0 H22 DG A 15 9.581 -10.166 -29.083 1.00 1.76 H new ATOM 481 P DT A 16 17.510 -7.318 -25.816 1.00 1.89 P ATOM 482 OP1 DT A 16 17.463 -7.582 -24.349 1.00 2.46 O ATOM 483 OP2 DT A 16 18.794 -6.890 -26.437 1.00 2.03 O ATOM 484 O5' DT A 16 16.987 -8.606 -26.596 1.00 1.92 O ATOM 485 C5' DT A 16 15.916 -9.262 -25.935 1.00 1.94 C ATOM 486 C4' DT A 16 15.233 -10.334 -26.786 1.00 1.95 C ATOM 487 O4' DT A 16 14.480 -9.812 -27.863 1.00 1.87 O ATOM 488 C3' DT A 16 16.113 -11.340 -27.534 1.00 2.07 C ATOM 489 O3' DT A 16 16.970 -12.128 -26.722 1.00 2.18 O ATOM 490 C2' DT A 16 15.074 -12.042 -28.401 1.00 2.07 C ATOM 491 C1' DT A 16 14.085 -10.882 -28.697 1.00 1.95 C ATOM 492 N1 DT A 16 14.076 -10.310 -30.044 1.00 1.94 N ATOM 493 C2 DT A 16 13.818 -11.018 -31.196 1.00 2.01 C ATOM 494 O2 DT A 16 13.583 -12.225 -31.163 1.00 2.09 O ATOM 495 N3 DT A 16 13.854 -10.235 -32.357 1.00 2.01 N ATOM 496 C4 DT A 16 14.100 -8.847 -32.457 1.00 1.96 C ATOM 497 O4 DT A 16 14.110 -8.244 -33.522 1.00 1.99 O ATOM 498 C5 DT A 16 14.336 -8.185 -31.170 1.00 1.89 C ATOM 499 C7 DT A 16 14.578 -6.701 -31.246 1.00 1.88 C ATOM 500 C6 DT A 16 14.296 -8.934 -30.062 1.00 1.89 C ATOM 0 H5' DT A 16 15.175 -8.520 -25.638 1.00 1.94 H new ATOM 0 H5'' DT A 16 16.292 -9.721 -25.021 1.00 1.94 H new ATOM 0 H4' DT A 16 14.669 -10.811 -25.985 1.00 1.95 H new ATOM 0 H3' DT A 16 16.910 -10.902 -28.135 1.00 2.07 H new ATOM 0 H2' DT A 16 15.509 -12.453 -29.312 1.00 2.07 H new ATOM 0 H2'' DT A 16 14.593 -12.868 -27.877 1.00 2.07 H new ATOM 0 HO3' DT A 16 17.488 -12.738 -27.288 1.00 2.18 H new ATOM 0 H1' DT A 16 13.097 -11.317 -28.546 1.00 1.95 H new ATOM 0 H3 DT A 16 13.682 -10.725 -33.235 1.00 2.01 H new ATOM 0 H71 DT A 16 14.223 -6.227 -30.331 1.00 1.88 H new ATOM 0 H72 DT A 16 15.645 -6.512 -31.362 1.00 1.88 H new ATOM 0 H73 DT A 16 14.041 -6.288 -32.100 1.00 1.88 H new ATOM 0 H6 DT A 16 14.445 -8.437 -29.115 1.00 1.89 H new TER 514 DT A 16 ATOM 515 O5' DA B 17 1.840 -11.316 -38.296 1.00 2.67 O ATOM 516 C5' DA B 17 3.191 -11.089 -38.118 1.00 2.27 C ATOM 517 C4' DA B 17 3.719 -11.890 -36.910 1.00 2.22 C ATOM 518 O4' DA B 17 5.141 -11.781 -36.873 1.00 2.22 O ATOM 519 C3' DA B 17 3.160 -11.377 -35.563 1.00 2.06 C ATOM 520 O3' DA B 17 2.468 -12.350 -34.803 1.00 2.14 O ATOM 521 C2' DA B 17 4.389 -10.674 -34.961 1.00 1.94 C ATOM 522 C1' DA B 17 5.565 -11.460 -35.573 1.00 2.07 C ATOM 523 N9 DA B 17 6.789 -10.721 -35.804 1.00 2.05 N ATOM 524 C8 DA B 17 7.105 -10.081 -36.980 1.00 2.12 C ATOM 525 N7 DA B 17 8.258 -9.493 -36.993 1.00 2.12 N ATOM 526 C5 DA B 17 8.763 -9.760 -35.723 1.00 2.04 C ATOM 527 C6 DA B 17 9.954 -9.396 -35.087 1.00 2.03 C ATOM 528 N6 DA B 17 10.906 -8.656 -35.714 1.00 2.10 N ATOM 529 N1 DA B 17 10.101 -9.817 -33.818 1.00 1.98 N ATOM 530 C2 DA B 17 9.136 -10.537 -33.239 1.00 1.94 C ATOM 531 N3 DA B 17 7.963 -10.949 -33.735 1.00 1.95 N ATOM 532 C4 DA B 17 7.852 -10.525 -34.973 1.00 2.00 C ATOM 0 H5' DA B 17 3.370 -10.025 -37.962 1.00 2.27 H new ATOM 0 H5'' DA B 17 3.736 -11.375 -39.018 1.00 2.27 H new ATOM 0 H4' DA B 17 3.393 -12.922 -37.037 1.00 2.22 H new ATOM 0 H3' DA B 17 2.326 -10.679 -35.634 1.00 2.06 H new ATOM 0 H2' DA B 17 4.424 -9.618 -35.231 1.00 1.94 H new ATOM 0 H2'' DA B 17 4.391 -10.725 -33.872 1.00 1.94 H new ATOM 0 HO5' DA B 17 1.520 -10.800 -39.065 1.00 2.67 H new ATOM 0 H1' DA B 17 5.789 -12.265 -34.873 1.00 2.07 H new ATOM 0 H8 DA B 17 6.439 -10.070 -37.830 1.00 2.12 H new ATOM 0 H61 DA B 17 11.764 -8.407 -35.222 1.00 2.10 H new ATOM 0 H62 DA B 17 10.762 -8.350 -36.676 1.00 2.10 H new ATOM 0 H2 DA B 17 9.332 -10.830 -32.218 1.00 1.94 H new ATOM 544 P DC B 18 3.080 -13.563 -34.025 1.00 2.06 P ATOM 545 OP1 DC B 18 4.057 -14.298 -34.890 1.00 2.42 O ATOM 546 OP2 DC B 18 1.950 -14.322 -33.420 1.00 2.59 O ATOM 547 O5' DC B 18 3.878 -12.829 -32.853 1.00 1.96 O ATOM 548 C5' DC B 18 4.929 -13.623 -32.330 1.00 1.96 C ATOM 549 C4' DC B 18 5.423 -13.084 -30.991 1.00 1.84 C ATOM 550 O4' DC B 18 6.044 -11.819 -31.176 1.00 1.75 O ATOM 551 C3' DC B 18 4.363 -12.923 -29.871 1.00 1.77 C ATOM 552 O3' DC B 18 4.627 -13.928 -28.909 1.00 1.83 O ATOM 553 C2' DC B 18 4.574 -11.465 -29.401 1.00 1.66 C ATOM 554 C1' DC B 18 5.946 -11.085 -29.978 1.00 1.65 C ATOM 555 N1 DC B 18 6.138 -9.687 -30.360 1.00 1.61 N ATOM 556 C2 DC B 18 6.858 -8.775 -29.568 1.00 1.56 C ATOM 557 O2 DC B 18 7.394 -9.163 -28.533 1.00 1.57 O ATOM 558 N3 DC B 18 6.927 -7.483 -30.039 1.00 1.53 N ATOM 559 C4 DC B 18 6.280 -7.080 -31.111 1.00 1.55 C ATOM 560 N4 DC B 18 6.371 -5.766 -31.485 1.00 1.54 N ATOM 561 C5 DC B 18 5.458 -8.006 -31.910 1.00 1.61 C ATOM 562 C6 DC B 18 5.464 -9.281 -31.475 1.00 1.65 C ATOM 0 H5' DC B 18 5.755 -13.649 -33.040 1.00 1.96 H new ATOM 0 H5'' DC B 18 4.584 -14.649 -32.205 1.00 1.96 H new ATOM 0 H4' DC B 18 6.111 -13.856 -30.647 1.00 1.84 H new ATOM 0 H3' DC B 18 3.316 -13.058 -30.142 1.00 1.77 H new ATOM 0 H2' DC B 18 3.788 -10.808 -29.773 1.00 1.66 H new ATOM 0 H2'' DC B 18 4.563 -11.390 -28.314 1.00 1.66 H new ATOM 0 H1' DC B 18 6.680 -11.284 -29.197 1.00 1.65 H new ATOM 0 H41 DC B 18 5.876 -5.436 -32.314 1.00 1.54 H new ATOM 0 H42 DC B 18 6.934 -5.117 -30.935 1.00 1.54 H new ATOM 0 H5 DC B 18 4.896 -7.688 -32.775 1.00 1.61 H new ATOM 0 H6 DC B 18 4.908 -10.018 -32.036 1.00 1.65 H new ATOM 574 P DA B 19 3.532 -14.247 -27.806 1.00 1.98 P ATOM 575 OP1 DA B 19 3.845 -15.584 -27.227 1.00 2.50 O ATOM 576 OP2 DA B 19 2.167 -13.989 -28.347 1.00 2.47 O ATOM 577 O5' DA B 19 3.850 -13.125 -26.723 1.00 1.95 O ATOM 578 C5' DA B 19 5.179 -13.192 -26.233 1.00 2.02 C ATOM 579 C4' DA B 19 5.519 -11.985 -25.351 1.00 1.67 C ATOM 580 O4' DA B 19 5.723 -10.803 -26.133 1.00 1.57 O ATOM 581 C3' DA B 19 4.429 -11.661 -24.307 1.00 1.44 C ATOM 582 O3' DA B 19 5.060 -11.380 -23.071 1.00 1.32 O ATOM 583 C2' DA B 19 3.774 -10.418 -24.914 1.00 1.31 C ATOM 584 C1' DA B 19 4.985 -9.743 -25.566 1.00 1.32 C ATOM 585 N9 DA B 19 4.605 -8.803 -26.583 1.00 1.33 N ATOM 586 C8 DA B 19 3.561 -8.906 -27.473 1.00 1.39 C ATOM 587 N7 DA B 19 3.415 -7.905 -28.280 1.00 1.38 N ATOM 588 C5 DA B 19 4.458 -7.058 -27.922 1.00 1.31 C ATOM 589 C6 DA B 19 4.879 -5.813 -28.410 1.00 1.29 C ATOM 590 N6 DA B 19 4.232 -5.148 -29.404 1.00 1.31 N ATOM 591 N1 DA B 19 5.992 -5.311 -27.851 1.00 1.27 N ATOM 592 C2 DA B 19 6.629 -5.984 -26.890 1.00 1.27 C ATOM 593 N3 DA B 19 6.314 -7.152 -26.318 1.00 1.27 N ATOM 594 C4 DA B 19 5.221 -7.618 -26.881 1.00 1.29 C ATOM 0 H5' DA B 19 5.874 -13.238 -27.071 1.00 2.02 H new ATOM 0 H5'' DA B 19 5.310 -14.110 -25.660 1.00 2.02 H new ATOM 0 H4' DA B 19 6.433 -12.274 -24.833 1.00 1.67 H new ATOM 0 H3' DA B 19 3.710 -12.456 -24.108 1.00 1.44 H new ATOM 0 H2' DA B 19 3.002 -10.671 -25.640 1.00 1.31 H new ATOM 0 H2'' DA B 19 3.306 -9.787 -24.158 1.00 1.31 H new ATOM 0 H1' DA B 19 5.553 -9.169 -24.834 1.00 1.32 H new ATOM 0 H8 DA B 19 2.907 -9.765 -27.497 1.00 1.39 H new ATOM 0 H61 DA B 19 4.580 -4.244 -29.723 1.00 1.31 H new ATOM 0 H62 DA B 19 3.399 -5.553 -29.831 1.00 1.31 H new ATOM 0 H2 DA B 19 7.530 -5.518 -26.520 1.00 1.27 H new ATOM 606 P DG B 20 4.188 -11.527 -21.748 1.00 1.38 P ATOM 607 OP1 DG B 20 4.812 -12.569 -20.883 1.00 1.80 O ATOM 608 OP2 DG B 20 2.744 -11.634 -22.104 1.00 2.11 O ATOM 609 O5' DG B 20 4.431 -10.105 -21.095 1.00 1.08 O ATOM 610 C5' DG B 20 5.803 -9.821 -20.898 1.00 0.95 C ATOM 611 C4' DG B 20 6.001 -8.325 -20.672 1.00 0.83 C ATOM 612 O4' DG B 20 5.659 -7.613 -21.863 1.00 0.78 O ATOM 613 C3' DG B 20 5.123 -7.765 -19.533 1.00 0.79 C ATOM 614 O3' DG B 20 5.850 -6.791 -18.796 1.00 0.75 O ATOM 615 C2' DG B 20 3.967 -7.119 -20.310 1.00 0.74 C ATOM 616 C1' DG B 20 4.713 -6.614 -21.549 1.00 0.70 C ATOM 617 N9 DG B 20 3.931 -6.287 -22.716 1.00 0.72 N ATOM 618 C8 DG B 20 2.847 -6.881 -23.324 1.00 0.82 C ATOM 619 N7 DG B 20 2.429 -6.283 -24.403 1.00 0.85 N ATOM 620 C5 DG B 20 3.297 -5.223 -24.535 1.00 0.77 C ATOM 621 C6 DG B 20 3.297 -4.199 -25.543 1.00 0.79 C ATOM 622 O6 DG B 20 2.556 -4.064 -26.505 1.00 0.88 O ATOM 623 N1 DG B 20 4.359 -3.294 -25.221 1.00 0.75 N ATOM 624 C2 DG B 20 5.270 -3.386 -24.168 1.00 0.70 C ATOM 625 N2 DG B 20 6.224 -2.391 -24.119 1.00 0.75 N ATOM 626 N3 DG B 20 5.258 -4.363 -23.281 1.00 0.66 N ATOM 627 C4 DG B 20 4.235 -5.218 -23.511 1.00 0.69 C ATOM 0 H5' DG B 20 6.378 -10.145 -21.766 1.00 0.95 H new ATOM 0 H5'' DG B 20 6.179 -10.379 -20.040 1.00 0.95 H new ATOM 0 H4' DG B 20 7.048 -8.192 -20.400 1.00 0.83 H new ATOM 0 H3' DG B 20 4.795 -8.509 -18.807 1.00 0.79 H new ATOM 0 H2' DG B 20 3.184 -7.835 -20.560 1.00 0.74 H new ATOM 0 H2'' DG B 20 3.493 -6.311 -19.753 1.00 0.74 H new ATOM 0 H1' DG B 20 5.141 -5.647 -21.283 1.00 0.70 H new ATOM 0 H8 DG B 20 2.380 -7.774 -22.936 1.00 0.82 H new ATOM 0 H1 DG B 20 4.462 -2.486 -25.835 1.00 0.75 H new ATOM 0 H21 DG B 20 6.924 -2.392 -23.377 1.00 0.75 H new ATOM 0 H22 DG B 20 6.229 -1.654 -24.825 1.00 0.75 H new ATOM 639 P DC B 21 5.492 -6.740 -17.241 1.00 0.83 P ATOM 640 OP1 DC B 21 6.076 -7.943 -16.570 1.00 1.27 O ATOM 641 OP2 DC B 21 4.037 -6.463 -17.089 1.00 1.43 O ATOM 642 O5' DC B 21 6.300 -5.459 -16.792 1.00 1.02 O ATOM 643 C5' DC B 21 7.704 -5.654 -16.823 1.00 0.75 C ATOM 644 C4' DC B 21 8.434 -4.363 -17.184 1.00 0.69 C ATOM 645 O4' DC B 21 7.929 -3.877 -18.430 1.00 0.67 O ATOM 646 C3' DC B 21 8.332 -3.197 -16.165 1.00 0.62 C ATOM 647 O3' DC B 21 9.582 -2.567 -15.943 1.00 0.65 O ATOM 648 C2' DC B 21 7.194 -2.344 -16.762 1.00 0.55 C ATOM 649 C1' DC B 21 7.215 -2.671 -18.275 1.00 0.59 C ATOM 650 N1 DC B 21 5.973 -2.773 -19.033 1.00 0.58 N ATOM 651 C2 DC B 21 6.034 -2.219 -20.331 1.00 0.58 C ATOM 652 O2 DC B 21 7.049 -1.633 -20.698 1.00 0.60 O ATOM 653 N3 DC B 21 4.929 -2.371 -21.120 1.00 0.58 N ATOM 654 C4 DC B 21 3.832 -2.962 -20.706 1.00 0.58 C ATOM 655 N4 DC B 21 2.777 -3.009 -21.578 1.00 0.60 N ATOM 656 C5 DC B 21 3.749 -3.586 -19.379 1.00 0.58 C ATOM 657 C6 DC B 21 4.879 -3.495 -18.636 1.00 0.58 C ATOM 0 H5' DC B 21 7.950 -6.429 -17.549 1.00 0.75 H new ATOM 0 H5'' DC B 21 8.046 -6.008 -15.851 1.00 0.75 H new ATOM 0 H4' DC B 21 9.485 -4.651 -17.209 1.00 0.69 H new ATOM 0 H3' DC B 21 8.090 -3.481 -15.141 1.00 0.62 H new ATOM 0 H2' DC B 21 6.233 -2.597 -16.315 1.00 0.55 H new ATOM 0 H2'' DC B 21 7.359 -1.281 -16.584 1.00 0.55 H new ATOM 0 H1' DC B 21 7.664 -1.778 -18.710 1.00 0.59 H new ATOM 0 H41 DC B 21 1.905 -3.458 -21.299 1.00 0.60 H new ATOM 0 H42 DC B 21 2.864 -2.595 -22.506 1.00 0.60 H new ATOM 0 H5 DC B 21 2.857 -4.079 -19.023 1.00 0.58 H new ATOM 0 H6 DC B 21 4.918 -4.014 -17.690 1.00 0.58 H new ATOM 669 P DC B 22 10.471 -1.783 -16.968 1.00 1.32 P ATOM 670 OP1 DC B 22 10.437 -2.432 -18.317 1.00 2.35 O ATOM 671 OP2 DC B 22 11.794 -1.543 -16.324 1.00 2.08 O ATOM 672 O5' DC B 22 9.694 -0.398 -17.058 1.00 1.13 O ATOM 673 C5' DC B 22 10.235 0.493 -18.016 1.00 0.57 C ATOM 674 C4' DC B 22 9.413 1.771 -17.986 1.00 0.49 C ATOM 675 O4' DC B 22 8.062 1.410 -18.261 1.00 0.49 O ATOM 676 C3' DC B 22 9.426 2.512 -16.637 1.00 0.51 C ATOM 677 O3' DC B 22 9.377 3.898 -16.910 1.00 0.63 O ATOM 678 C2' DC B 22 8.118 2.027 -15.996 1.00 0.49 C ATOM 679 C1' DC B 22 7.219 1.884 -17.238 1.00 0.46 C ATOM 680 N1 DC B 22 6.033 1.031 -17.235 1.00 0.42 N ATOM 681 C2 DC B 22 5.269 1.164 -18.428 1.00 0.39 C ATOM 682 O2 DC B 22 5.633 1.963 -19.286 1.00 0.39 O ATOM 683 N3 DC B 22 4.160 0.362 -18.572 1.00 0.40 N ATOM 684 C4 DC B 22 3.663 -0.300 -17.557 1.00 0.45 C ATOM 685 N4 DC B 22 2.514 -1.045 -17.700 1.00 0.51 N ATOM 686 C5 DC B 22 4.347 -0.359 -16.276 1.00 0.46 C ATOM 687 C6 DC B 22 5.567 0.240 -16.216 1.00 0.45 C ATOM 0 H5' DC B 22 10.208 0.046 -19.010 1.00 0.57 H new ATOM 0 H5'' DC B 22 11.280 0.707 -17.790 1.00 0.57 H new ATOM 0 H4' DC B 22 9.853 2.447 -18.719 1.00 0.49 H new ATOM 0 H3' DC B 22 10.295 2.334 -16.004 1.00 0.51 H new ATOM 0 H2' DC B 22 8.243 1.083 -15.467 1.00 0.49 H new ATOM 0 H2'' DC B 22 7.719 2.744 -15.278 1.00 0.49 H new ATOM 0 H1' DC B 22 6.775 2.875 -17.336 1.00 0.46 H new ATOM 0 H41 DC B 22 2.136 -1.557 -16.903 1.00 0.51 H new ATOM 0 H42 DC B 22 2.041 -1.085 -18.603 1.00 0.51 H new ATOM 0 H5 DC B 22 3.911 -0.851 -15.419 1.00 0.46 H new ATOM 0 H6 DC B 22 6.185 0.089 -15.343 1.00 0.45 H new ATOM 699 P DA B 23 9.894 4.910 -15.797 1.00 0.84 P ATOM 700 OP1 DA B 23 11.115 5.600 -16.308 1.00 1.32 O ATOM 701 OP2 DA B 23 9.937 4.219 -14.477 1.00 1.36 O ATOM 702 O5' DA B 23 8.698 5.947 -15.774 1.00 0.85 O ATOM 703 C5' DA B 23 8.535 6.680 -16.974 1.00 0.88 C ATOM 704 C4' DA B 23 7.057 6.970 -17.178 1.00 0.61 C ATOM 705 O4' DA B 23 6.341 5.726 -17.115 1.00 0.51 O ATOM 706 C3' DA B 23 6.477 7.917 -16.083 1.00 0.52 C ATOM 707 O3' DA B 23 5.654 8.909 -16.677 1.00 0.57 O ATOM 708 C2' DA B 23 5.654 6.941 -15.232 1.00 0.42 C ATOM 709 C1' DA B 23 5.253 5.848 -16.232 1.00 0.39 C ATOM 710 N9 DA B 23 4.891 4.581 -15.657 1.00 0.38 N ATOM 711 C8 DA B 23 5.414 3.695 -14.750 1.00 0.42 C ATOM 712 N7 DA B 23 4.653 2.682 -14.468 1.00 0.43 N ATOM 713 C5 DA B 23 3.522 2.884 -15.249 1.00 0.38 C ATOM 714 C6 DA B 23 2.304 2.197 -15.431 1.00 0.39 C ATOM 715 N6 DA B 23 1.925 1.050 -14.811 1.00 0.45 N ATOM 716 N1 DA B 23 1.470 2.754 -16.312 1.00 0.35 N ATOM 717 C2 DA B 23 1.766 3.881 -16.957 1.00 0.33 C ATOM 718 N3 DA B 23 2.860 4.632 -16.861 1.00 0.33 N ATOM 719 C4 DA B 23 3.671 4.064 -15.997 1.00 0.35 C ATOM 0 H5' DA B 23 8.928 6.113 -17.818 1.00 0.88 H new ATOM 0 H5'' DA B 23 9.099 7.612 -16.926 1.00 0.88 H new ATOM 0 H4' DA B 23 6.945 7.463 -18.144 1.00 0.61 H new ATOM 0 H3' DA B 23 7.227 8.465 -15.513 1.00 0.52 H new ATOM 0 H2' DA B 23 6.239 6.535 -14.407 1.00 0.42 H new ATOM 0 H2'' DA B 23 4.781 7.426 -14.795 1.00 0.42 H new ATOM 0 H1' DA B 23 4.332 6.149 -16.731 1.00 0.39 H new ATOM 0 H8 DA B 23 6.388 3.830 -14.303 1.00 0.42 H new ATOM 0 H61 DA B 23 1.016 0.635 -15.017 1.00 0.45 H new ATOM 0 H62 DA B 23 2.549 0.603 -14.139 1.00 0.45 H new ATOM 0 H2 DA B 23 1.017 4.233 -17.651 1.00 0.33 H new ATOM 731 P DC B 24 5.472 10.276 -15.875 1.00 0.95 P ATOM 732 OP1 DC B 24 6.156 11.364 -16.634 1.00 1.62 O ATOM 733 OP2 DC B 24 5.805 10.065 -14.439 1.00 1.56 O ATOM 734 O5' DC B 24 3.905 10.475 -15.991 1.00 0.81 O ATOM 735 C5' DC B 24 3.485 10.520 -17.342 1.00 0.75 C ATOM 736 C4' DC B 24 1.996 10.224 -17.461 1.00 0.59 C ATOM 737 O4' DC B 24 1.751 8.904 -16.970 1.00 0.51 O ATOM 738 C3' DC B 24 1.048 11.201 -16.713 1.00 0.57 C ATOM 739 O3' DC B 24 0.121 11.748 -17.640 1.00 0.64 O ATOM 740 C2' DC B 24 0.376 10.287 -15.674 1.00 0.53 C ATOM 741 C1' DC B 24 0.535 8.870 -16.268 1.00 0.45 C ATOM 742 N1 DC B 24 0.639 7.805 -15.271 1.00 0.40 N ATOM 743 C2 DC B 24 -0.535 7.034 -15.239 1.00 0.39 C ATOM 744 O2 DC B 24 -1.466 7.353 -15.977 1.00 0.43 O ATOM 745 N3 DC B 24 -0.552 5.989 -14.371 1.00 0.38 N ATOM 746 C4 DC B 24 0.481 5.697 -13.620 1.00 0.38 C ATOM 747 N4 DC B 24 0.339 4.642 -12.765 1.00 0.40 N ATOM 748 C5 DC B 24 1.729 6.455 -13.661 1.00 0.39 C ATOM 749 C6 DC B 24 1.728 7.541 -14.477 1.00 0.40 C ATOM 0 H5' DC B 24 4.051 9.795 -17.927 1.00 0.75 H new ATOM 0 H5'' DC B 24 3.698 11.504 -17.760 1.00 0.75 H new ATOM 0 H4' DC B 24 1.766 10.341 -18.520 1.00 0.59 H new ATOM 0 H3' DC B 24 1.537 12.056 -16.245 1.00 0.57 H new ATOM 0 H2' DC B 24 0.858 10.368 -14.700 1.00 0.53 H new ATOM 0 H2'' DC B 24 -0.673 10.546 -15.533 1.00 0.53 H new ATOM 0 H1' DC B 24 -0.347 8.644 -16.867 1.00 0.45 H new ATOM 0 H41 DC B 24 1.112 4.371 -12.157 1.00 0.40 H new ATOM 0 H42 DC B 24 -0.540 4.125 -12.734 1.00 0.40 H new ATOM 0 H5 DC B 24 2.595 6.171 -13.081 1.00 0.39 H new ATOM 0 H6 DC B 24 2.585 8.198 -14.501 1.00 0.40 H new ATOM 761 P DT B 25 -0.600 13.122 -17.277 1.00 1.27 P ATOM 762 OP1 DT B 25 -0.545 14.013 -18.463 1.00 2.02 O ATOM 763 OP2 DT B 25 -0.090 13.620 -15.961 1.00 2.04 O ATOM 764 O5' DT B 25 -2.105 12.642 -17.092 1.00 1.10 O ATOM 765 C5' DT B 25 -2.199 11.572 -16.171 1.00 0.81 C ATOM 766 C4' DT B 25 -3.575 10.897 -16.204 1.00 0.65 C ATOM 767 O4' DT B 25 -3.376 9.552 -15.767 1.00 0.57 O ATOM 768 C3' DT B 25 -4.684 11.539 -15.327 1.00 0.59 C ATOM 769 O3' DT B 25 -5.905 11.547 -16.044 1.00 0.72 O ATOM 770 C2' DT B 25 -4.645 10.615 -14.099 1.00 0.48 C ATOM 771 C1' DT B 25 -4.246 9.250 -14.705 1.00 0.40 C ATOM 772 N1 DT B 25 -3.479 8.408 -13.773 1.00 0.35 N ATOM 773 C2 DT B 25 -3.969 7.230 -13.239 1.00 0.34 C ATOM 774 O2 DT B 25 -5.069 6.784 -13.560 1.00 0.38 O ATOM 775 N3 DT B 25 -3.105 6.605 -12.320 1.00 0.32 N ATOM 776 C4 DT B 25 -1.873 7.095 -11.818 1.00 0.35 C ATOM 777 O4 DT B 25 -1.234 6.545 -10.934 1.00 0.44 O ATOM 778 C5 DT B 25 -1.437 8.324 -12.465 1.00 0.34 C ATOM 779 C7 DT B 25 -0.130 8.955 -12.077 1.00 0.36 C ATOM 780 C6 DT B 25 -2.226 8.889 -13.377 1.00 0.36 C ATOM 0 H5' DT B 25 -2.002 11.943 -15.165 1.00 0.81 H new ATOM 0 H5'' DT B 25 -1.429 10.834 -16.395 1.00 0.81 H new ATOM 0 H4' DT B 25 -3.944 10.998 -17.225 1.00 0.65 H new ATOM 0 H3' DT B 25 -4.557 12.584 -15.045 1.00 0.59 H new ATOM 0 H2' DT B 25 -3.920 10.956 -13.360 1.00 0.48 H new ATOM 0 H2'' DT B 25 -5.612 10.567 -13.599 1.00 0.48 H new ATOM 0 H1' DT B 25 -5.152 8.710 -14.982 1.00 0.40 H new ATOM 0 H3 DT B 25 -3.400 5.692 -11.975 1.00 0.32 H new ATOM 0 H71 DT B 25 0.287 9.484 -12.934 1.00 0.36 H new ATOM 0 H72 DT B 25 -0.294 9.658 -11.261 1.00 0.36 H new ATOM 0 H73 DT B 25 0.566 8.181 -11.755 1.00 0.36 H new ATOM 0 H6 DT B 25 -1.870 9.792 -13.850 1.00 0.36 H new ATOM 793 P DT B 26 -7.163 12.249 -15.364 1.00 0.96 P ATOM 794 OP1 DT B 26 -7.973 12.889 -16.439 1.00 1.32 O ATOM 795 OP2 DT B 26 -6.714 13.062 -14.198 1.00 1.07 O ATOM 796 O5' DT B 26 -7.960 10.990 -14.805 1.00 0.93 O ATOM 797 C5' DT B 26 -8.413 10.134 -15.839 1.00 0.67 C ATOM 798 C4' DT B 26 -8.695 8.735 -15.317 1.00 0.52 C ATOM 799 O4' DT B 26 -7.756 8.386 -14.303 1.00 0.39 O ATOM 800 C3' DT B 26 -10.113 8.437 -14.760 1.00 0.53 C ATOM 801 O3' DT B 26 -10.547 7.218 -15.340 1.00 0.58 O ATOM 802 C2' DT B 26 -9.824 8.250 -13.257 1.00 0.43 C ATOM 803 C1' DT B 26 -8.435 7.610 -13.336 1.00 0.37 C ATOM 804 N1 DT B 26 -7.558 7.565 -12.187 1.00 0.33 N ATOM 805 C2 DT B 26 -7.172 6.349 -11.664 1.00 0.28 C ATOM 806 O2 DT B 26 -7.724 5.294 -11.973 1.00 0.31 O ATOM 807 N3 DT B 26 -6.075 6.440 -10.806 1.00 0.26 N ATOM 808 C4 DT B 26 -5.324 7.581 -10.479 1.00 0.29 C ATOM 809 O4 DT B 26 -4.321 7.552 -9.777 1.00 0.32 O ATOM 810 C5 DT B 26 -5.881 8.828 -11.005 1.00 0.34 C ATOM 811 C7 DT B 26 -5.130 10.047 -10.572 1.00 0.42 C ATOM 812 C6 DT B 26 -6.953 8.766 -11.797 1.00 0.36 C ATOM 0 H5' DT B 26 -7.662 10.085 -16.628 1.00 0.67 H new ATOM 0 H5'' DT B 26 -9.318 10.547 -16.285 1.00 0.67 H new ATOM 0 H4' DT B 26 -8.609 8.133 -16.221 1.00 0.52 H new ATOM 0 H3' DT B 26 -10.874 9.192 -14.958 1.00 0.53 H new ATOM 0 H2' DT B 26 -9.818 9.194 -12.712 1.00 0.43 H new ATOM 0 H2'' DT B 26 -10.554 7.605 -12.769 1.00 0.43 H new ATOM 0 H1' DT B 26 -8.638 6.555 -13.519 1.00 0.37 H new ATOM 0 H3 DT B 26 -5.782 5.570 -10.361 1.00 0.26 H new ATOM 0 H71 DT B 26 -5.209 10.815 -11.341 1.00 0.42 H new ATOM 0 H72 DT B 26 -5.552 10.422 -9.640 1.00 0.42 H new ATOM 0 H73 DT B 26 -4.081 9.793 -10.419 1.00 0.42 H new ATOM 0 H6 DT B 26 -7.377 9.692 -12.157 1.00 0.36 H new ATOM 825 P DG B 27 -12.089 6.876 -15.462 1.00 0.80 P ATOM 826 OP1 DG B 27 -12.243 5.849 -16.534 1.00 1.41 O ATOM 827 OP2 DG B 27 -12.882 8.136 -15.542 1.00 1.23 O ATOM 828 O5' DG B 27 -12.388 6.199 -14.054 1.00 0.60 O ATOM 829 C5' DG B 27 -12.081 4.817 -13.978 1.00 0.55 C ATOM 830 C4' DG B 27 -12.048 4.351 -12.523 1.00 0.49 C ATOM 831 O4' DG B 27 -10.941 4.971 -11.868 1.00 0.40 O ATOM 832 C3' DG B 27 -13.313 4.671 -11.693 1.00 0.54 C ATOM 833 O3' DG B 27 -13.592 3.564 -10.854 1.00 0.61 O ATOM 834 C2' DG B 27 -12.845 5.878 -10.870 1.00 0.46 C ATOM 835 C1' DG B 27 -11.389 5.463 -10.627 1.00 0.38 C ATOM 836 N9 DG B 27 -10.467 6.452 -10.139 1.00 0.32 N ATOM 837 C8 DG B 27 -10.348 7.784 -10.463 1.00 0.34 C ATOM 838 N7 DG B 27 -9.340 8.399 -9.926 1.00 0.32 N ATOM 839 C5 DG B 27 -8.720 7.400 -9.219 1.00 0.27 C ATOM 840 C6 DG B 27 -7.580 7.553 -8.368 1.00 0.26 C ATOM 841 O6 DG B 27 -6.976 8.593 -8.154 1.00 0.30 O ATOM 842 N1 DG B 27 -7.281 6.273 -7.806 1.00 0.24 N ATOM 843 C2 DG B 27 -8.042 5.109 -7.956 1.00 0.23 C ATOM 844 N2 DG B 27 -7.594 4.003 -7.256 1.00 0.23 N ATOM 845 N3 DG B 27 -9.113 5.014 -8.732 1.00 0.26 N ATOM 846 C4 DG B 27 -9.393 6.194 -9.332 1.00 0.27 C ATOM 0 H5' DG B 27 -11.116 4.627 -14.448 1.00 0.55 H new ATOM 0 H5'' DG B 27 -12.824 4.243 -14.532 1.00 0.55 H new ATOM 0 H4' DG B 27 -11.974 3.265 -12.573 1.00 0.49 H new ATOM 0 H3' DG B 27 -14.216 4.868 -12.270 1.00 0.54 H new ATOM 0 H2' DG B 27 -12.928 6.817 -11.417 1.00 0.46 H new ATOM 0 H2'' DG B 27 -13.407 5.998 -9.944 1.00 0.46 H new ATOM 0 H1' DG B 27 -11.401 4.748 -9.805 1.00 0.38 H new ATOM 0 H8 DG B 27 -11.046 8.283 -11.119 1.00 0.34 H new ATOM 0 H1 DG B 27 -6.433 6.202 -7.243 1.00 0.24 H new ATOM 0 H21 DG B 27 -8.101 3.120 -7.319 1.00 0.23 H new ATOM 0 H22 DG B 27 -6.757 4.071 -6.677 1.00 0.23 H new ATOM 858 P DA B 28 -15.088 3.365 -10.367 1.00 0.71 P ATOM 859 OP1 DA B 28 -15.700 2.261 -11.155 1.00 1.07 O ATOM 860 OP2 DA B 28 -15.783 4.693 -10.308 1.00 0.99 O ATOM 861 O5' DA B 28 -14.820 2.847 -8.900 1.00 0.80 O ATOM 862 C5' DA B 28 -15.362 3.589 -7.822 1.00 0.71 C ATOM 863 C4' DA B 28 -14.811 2.934 -6.563 1.00 0.65 C ATOM 864 O4' DA B 28 -13.408 3.171 -6.457 1.00 0.55 O ATOM 865 C3' DA B 28 -15.313 3.316 -5.176 1.00 0.69 C ATOM 866 O3' DA B 28 -14.952 2.240 -4.328 1.00 0.72 O ATOM 867 C2' DA B 28 -14.496 4.585 -4.905 1.00 0.63 C ATOM 868 C1' DA B 28 -13.171 4.309 -5.667 1.00 0.52 C ATOM 869 N9 DA B 28 -12.775 5.446 -6.458 1.00 0.47 N ATOM 870 C8 DA B 28 -13.471 6.215 -7.363 1.00 0.52 C ATOM 871 N7 DA B 28 -12.874 7.296 -7.744 1.00 0.49 N ATOM 872 C5 DA B 28 -11.671 7.258 -7.047 1.00 0.41 C ATOM 873 C6 DA B 28 -10.626 8.176 -6.900 1.00 0.37 C ATOM 874 N6 DA B 28 -10.612 9.393 -7.499 1.00 0.42 N ATOM 875 N1 DA B 28 -9.621 7.798 -6.095 1.00 0.33 N ATOM 876 C2 DA B 28 -9.661 6.620 -5.469 1.00 0.32 C ATOM 877 N3 DA B 28 -10.626 5.695 -5.465 1.00 0.35 N ATOM 878 C4 DA B 28 -11.588 6.092 -6.269 1.00 0.39 C ATOM 0 H5' DA B 28 -16.452 3.561 -7.835 1.00 0.71 H new ATOM 0 H5'' DA B 28 -15.069 4.637 -7.880 1.00 0.71 H new ATOM 0 H4' DA B 28 -15.161 1.919 -6.752 1.00 0.65 H new ATOM 0 H3' DA B 28 -16.381 3.491 -5.047 1.00 0.69 H new ATOM 0 H2' DA B 28 -14.999 5.477 -5.278 1.00 0.63 H new ATOM 0 H2'' DA B 28 -14.326 4.737 -3.839 1.00 0.63 H new ATOM 0 H1' DA B 28 -12.343 4.135 -4.979 1.00 0.52 H new ATOM 0 H8 DA B 28 -14.448 5.935 -7.729 1.00 0.52 H new ATOM 0 H61 DA B 28 -9.822 10.023 -7.356 1.00 0.42 H new ATOM 0 H62 DA B 28 -11.391 9.678 -8.092 1.00 0.42 H new ATOM 0 H2 DA B 28 -8.788 6.379 -4.881 1.00 0.32 H new ATOM 890 P DC B 29 -15.538 2.158 -2.854 1.00 0.90 P ATOM 891 OP1 DC B 29 -15.667 0.718 -2.495 1.00 1.41 O ATOM 892 OP2 DC B 29 -16.727 3.050 -2.737 1.00 1.35 O ATOM 893 O5' DC B 29 -14.365 2.798 -1.997 1.00 0.78 O ATOM 894 C5' DC B 29 -13.197 2.006 -1.876 1.00 0.63 C ATOM 895 C4' DC B 29 -12.103 2.824 -1.191 1.00 0.58 C ATOM 896 O4' DC B 29 -11.878 4.012 -1.942 1.00 0.53 O ATOM 897 C3' DC B 29 -12.509 3.239 0.242 1.00 0.68 C ATOM 898 O3' DC B 29 -11.403 3.159 1.132 1.00 0.72 O ATOM 899 C2' DC B 29 -12.930 4.699 0.037 1.00 0.70 C ATOM 900 C1' DC B 29 -11.958 5.119 -1.077 1.00 0.59 C ATOM 901 N1 DC B 29 -12.181 6.292 -1.888 1.00 0.63 N ATOM 902 C2 DC B 29 -10.998 6.703 -2.553 1.00 0.89 C ATOM 903 O2 DC B 29 -9.955 6.093 -2.334 1.00 1.18 O ATOM 904 N3 DC B 29 -11.088 7.782 -3.390 1.00 0.88 N ATOM 905 C4 DC B 29 -12.234 8.357 -3.656 1.00 0.68 C ATOM 906 N4 DC B 29 -12.302 9.428 -4.505 1.00 0.69 N ATOM 907 C5 DC B 29 -13.467 7.904 -3.057 1.00 0.61 C ATOM 908 C6 DC B 29 -13.386 6.862 -2.198 1.00 0.61 C ATOM 0 H5' DC B 29 -12.861 1.680 -2.860 1.00 0.63 H new ATOM 0 H5'' DC B 29 -13.411 1.107 -1.298 1.00 0.63 H new ATOM 0 H4' DC B 29 -11.208 2.204 -1.137 1.00 0.58 H new ATOM 0 H3' DC B 29 -13.281 2.606 0.680 1.00 0.68 H new ATOM 0 H2' DC B 29 -13.973 4.791 -0.267 1.00 0.70 H new ATOM 0 H2'' DC B 29 -12.808 5.296 0.941 1.00 0.70 H new ATOM 0 H1' DC B 29 -11.067 5.421 -0.526 1.00 0.59 H new ATOM 0 H41 DC B 29 -13.202 9.866 -4.703 1.00 0.69 H new ATOM 0 H42 DC B 29 -11.453 9.789 -4.940 1.00 0.69 H new ATOM 0 H5 DC B 29 -14.412 8.376 -3.284 1.00 0.61 H new ATOM 0 H6 DC B 29 -14.288 6.473 -1.749 1.00 0.61 H new ATOM 920 P DA B 30 -11.811 2.753 2.623 1.00 0.84 P ATOM 921 OP1 DA B 30 -11.700 1.268 2.756 1.00 1.25 O ATOM 922 OP2 DA B 30 -13.094 3.425 2.977 1.00 0.96 O ATOM 923 O5' DA B 30 -10.659 3.434 3.456 1.00 1.11 O ATOM 924 C5' DA B 30 -9.380 2.862 3.273 1.00 1.18 C ATOM 925 C4' DA B 30 -8.261 3.803 3.722 1.00 1.08 C ATOM 926 O4' DA B 30 -8.283 5.038 3.006 1.00 0.93 O ATOM 927 C3' DA B 30 -8.231 4.244 5.187 1.00 1.15 C ATOM 928 O3' DA B 30 -6.881 4.577 5.457 1.00 1.20 O ATOM 929 C2' DA B 30 -9.155 5.478 5.171 1.00 1.09 C ATOM 930 C1' DA B 30 -8.982 6.028 3.733 1.00 0.95 C ATOM 931 N9 DA B 30 -10.213 6.404 3.084 1.00 0.90 N ATOM 932 C8 DA B 30 -11.439 5.807 2.915 1.00 0.89 C ATOM 933 N7 DA B 30 -12.279 6.463 2.179 1.00 0.86 N ATOM 934 C5 DA B 30 -11.570 7.600 1.812 1.00 0.84 C ATOM 935 C6 DA B 30 -11.891 8.734 1.053 1.00 0.83 C ATOM 936 N6 DA B 30 -13.095 8.896 0.443 1.00 0.87 N ATOM 937 N1 DA B 30 -10.936 9.673 0.974 1.00 0.82 N ATOM 938 C2 DA B 30 -9.759 9.500 1.581 1.00 0.84 C ATOM 939 N3 DA B 30 -9.328 8.468 2.311 1.00 0.87 N ATOM 940 C4 DA B 30 -10.285 7.571 2.375 1.00 0.86 C ATOM 0 H5' DA B 30 -9.242 2.611 2.221 1.00 1.18 H new ATOM 0 H5'' DA B 30 -9.316 1.930 3.834 1.00 1.18 H new ATOM 0 H4' DA B 30 -7.398 3.165 3.530 1.00 1.08 H new ATOM 0 H3' DA B 30 -8.554 3.522 5.937 1.00 1.15 H new ATOM 0 H2' DA B 30 -10.191 5.209 5.378 1.00 1.09 H new ATOM 0 H2'' DA B 30 -8.861 6.212 5.921 1.00 1.09 H new ATOM 0 H1' DA B 30 -8.427 6.965 3.776 1.00 0.95 H new ATOM 0 H8 DA B 30 -11.685 4.856 3.365 1.00 0.89 H new ATOM 0 H61 DA B 30 -13.283 9.739 -0.099 1.00 0.87 H new ATOM 0 H62 DA B 30 -13.811 8.174 0.528 1.00 0.87 H new ATOM 0 H2 DA B 30 -9.055 10.311 1.465 1.00 0.84 H new ATOM 952 P DC B 31 -6.406 4.826 6.950 1.00 1.70 P ATOM 953 OP1 DC B 31 -4.986 4.382 7.060 1.00 2.14 O ATOM 954 OP2 DC B 31 -7.420 4.284 7.898 1.00 2.37 O ATOM 955 O5' DC B 31 -6.453 6.413 7.037 1.00 1.60 O ATOM 956 C5' DC B 31 -5.385 7.059 6.365 1.00 1.36 C ATOM 957 C4' DC B 31 -5.683 8.533 6.142 1.00 1.35 C ATOM 958 O4' DC B 31 -6.894 8.709 5.433 1.00 1.27 O ATOM 959 C3' DC B 31 -5.810 9.418 7.396 1.00 1.46 C ATOM 960 O3' DC B 31 -4.518 9.885 7.734 1.00 1.57 O ATOM 961 C2' DC B 31 -6.811 10.508 6.945 1.00 1.40 C ATOM 962 C1' DC B 31 -7.259 10.070 5.527 1.00 1.28 C ATOM 963 N1 DC B 31 -8.666 10.152 5.177 1.00 1.22 N ATOM 964 C2 DC B 31 -9.115 11.136 4.275 1.00 1.23 C ATOM 965 O2 DC B 31 -8.315 11.950 3.822 1.00 1.35 O ATOM 966 N3 DC B 31 -10.440 11.069 3.917 1.00 1.17 N ATOM 967 C4 DC B 31 -11.270 10.197 4.436 1.00 1.11 C ATOM 968 N4 DC B 31 -12.567 10.157 3.997 1.00 1.10 N ATOM 969 C5 DC B 31 -10.845 9.257 5.482 1.00 1.16 C ATOM 970 C6 DC B 31 -9.528 9.283 5.776 1.00 1.21 C ATOM 0 H5' DC B 31 -5.209 6.572 5.406 1.00 1.36 H new ATOM 0 H5'' DC B 31 -4.470 6.955 6.948 1.00 1.36 H new ATOM 0 H4' DC B 31 -4.798 8.855 5.594 1.00 1.35 H new ATOM 0 H3' DC B 31 -6.175 8.937 8.303 1.00 1.46 H new ATOM 0 H2' DC B 31 -7.660 10.572 7.626 1.00 1.40 H new ATOM 0 H2'' DC B 31 -6.343 11.492 6.926 1.00 1.40 H new ATOM 0 H1' DC B 31 -6.784 10.774 4.843 1.00 1.28 H new ATOM 0 H41 DC B 31 -13.220 9.482 4.395 1.00 1.10 H new ATOM 0 H42 DC B 31 -12.880 10.802 3.272 1.00 1.10 H new ATOM 0 H5 DC B 31 -11.536 8.593 5.980 1.00 1.16 H new ATOM 0 H6 DC B 31 -9.144 8.591 6.511 1.00 1.21 H new ATOM 982 P DA B 32 -4.224 10.296 9.238 1.00 2.02 P ATOM 983 OP1 DA B 32 -2.791 10.699 9.321 1.00 2.40 O ATOM 984 OP2 DA B 32 -4.736 9.246 10.162 1.00 2.54 O ATOM 985 O5' DA B 32 -5.144 11.586 9.398 1.00 2.11 O ATOM 986 C5' DA B 32 -4.775 12.643 8.529 1.00 2.17 C ATOM 987 C4' DA B 32 -5.783 13.781 8.615 1.00 1.94 C ATOM 988 O4' DA B 32 -7.053 13.327 8.160 1.00 1.73 O ATOM 989 C3' DA B 32 -5.985 14.346 10.053 1.00 1.91 C ATOM 990 O3' DA B 32 -5.665 15.689 10.034 1.00 1.96 O ATOM 991 C2' DA B 32 -7.514 14.201 10.270 1.00 1.75 C ATOM 992 C1' DA B 32 -8.063 14.024 8.852 1.00 1.58 C ATOM 993 N9 DA B 32 -9.313 13.335 8.720 1.00 1.52 N ATOM 994 C8 DA B 32 -9.887 12.222 9.288 1.00 1.59 C ATOM 995 N7 DA B 32 -11.064 11.918 8.840 1.00 1.60 N ATOM 996 C5 DA B 32 -11.311 12.897 7.882 1.00 1.53 C ATOM 997 C6 DA B 32 -12.392 13.153 7.029 1.00 1.59 C ATOM 998 N6 DA B 32 -13.504 12.372 7.019 1.00 1.75 N ATOM 999 N1 DA B 32 -12.266 14.220 6.220 1.00 1.58 N ATOM 1000 C2 DA B 32 -11.156 14.964 6.259 1.00 1.50 C ATOM 1001 N3 DA B 32 -10.067 14.823 7.022 1.00 1.45 N ATOM 1002 C4 DA B 32 -10.225 13.776 7.800 1.00 1.46 C ATOM 0 H5' DA B 32 -4.719 12.276 7.504 1.00 2.17 H new ATOM 0 H5'' DA B 32 -3.782 13.008 8.792 1.00 2.17 H new ATOM 0 H4' DA B 32 -5.375 14.579 7.995 1.00 1.94 H new ATOM 0 H3' DA B 32 -5.386 13.851 10.817 1.00 1.91 H new ATOM 0 H2' DA B 32 -7.750 13.344 10.901 1.00 1.75 H new ATOM 0 H2'' DA B 32 -7.935 15.081 10.756 1.00 1.75 H new ATOM 0 HO3' DA B 32 -5.787 16.067 10.930 1.00 1.96 H new ATOM 0 H1' DA B 32 -8.297 15.013 8.458 1.00 1.58 H new ATOM 0 H8 DA B 32 -9.392 11.642 10.053 1.00 1.59 H new ATOM 0 H61 DA B 32 -14.273 12.588 6.384 1.00 1.75 H new ATOM 0 H62 DA B 32 -13.570 11.570 7.646 1.00 1.75 H new ATOM 0 H2 DA B 32 -11.136 15.800 5.575 1.00 1.50 H new TER 1014 DA B 32 ATOM 1015 N LYS P 100 -20.321 -6.145 -14.768 1.00 3.44 N ATOM 1016 CA LYS P 100 -19.499 -4.948 -14.847 1.00 3.11 C ATOM 1017 C LYS P 100 -19.243 -4.509 -13.414 1.00 2.62 C ATOM 1018 O LYS P 100 -20.029 -3.751 -12.851 1.00 2.71 O ATOM 1019 CB LYS P 100 -20.246 -3.861 -15.609 1.00 3.77 C ATOM 1020 CG LYS P 100 -20.512 -4.288 -17.054 1.00 4.63 C ATOM 1021 CD LYS P 100 -21.080 -3.182 -17.951 1.00 5.54 C ATOM 1022 CE LYS P 100 -22.473 -2.643 -17.613 1.00 6.26 C ATOM 1023 NZ LYS P 100 -23.542 -3.700 -17.812 1.00 7.08 N ATOM 0 HA LYS P 100 -18.562 -5.137 -15.371 1.00 3.11 H new ATOM 0 HB2 LYS P 100 -21.191 -3.646 -15.110 1.00 3.77 H new ATOM 0 HB3 LYS P 100 -19.664 -2.940 -15.600 1.00 3.77 H new ATOM 0 HG2 LYS P 100 -19.580 -4.649 -17.490 1.00 4.63 H new ATOM 0 HG3 LYS P 100 -21.208 -5.127 -17.049 1.00 4.63 H new ATOM 0 HD2 LYS P 100 -20.382 -2.345 -17.935 1.00 5.54 H new ATOM 0 HD3 LYS P 100 -21.104 -3.558 -18.974 1.00 5.54 H new ATOM 0 HE2 LYS P 100 -22.490 -2.298 -16.579 1.00 6.26 H new ATOM 0 HE3 LYS P 100 -22.692 -1.780 -18.241 1.00 6.26 H new ATOM 0 HZ1 LYS P 100 -24.473 -3.302 -17.574 1.00 7.08 H new ATOM 0 HZ2 LYS P 100 -23.542 -4.011 -18.804 1.00 7.08 H new ATOM 0 HZ3 LYS P 100 -23.345 -4.513 -17.194 1.00 7.08 H new ATOM 1037 N LYS P 101 -18.108 -4.992 -12.805 1.00 2.65 N ATOM 1038 CA LYS P 101 -17.848 -4.665 -11.426 1.00 2.53 C ATOM 1039 C LYS P 101 -17.328 -3.233 -11.484 1.00 1.85 C ATOM 1040 O LYS P 101 -16.659 -2.894 -12.456 1.00 2.04 O ATOM 1041 CB LYS P 101 -16.768 -5.644 -10.990 1.00 3.33 C ATOM 1042 CG LYS P 101 -16.198 -5.376 -9.609 1.00 3.59 C ATOM 1043 CD LYS P 101 -17.313 -5.317 -8.564 1.00 4.17 C ATOM 1044 CE LYS P 101 -17.025 -4.403 -7.373 1.00 3.87 C ATOM 1045 NZ LYS P 101 -15.996 -5.014 -6.445 1.00 4.79 N ATOM 0 H LYS P 101 -17.408 -5.582 -13.255 1.00 2.65 H new ATOM 0 HA LYS P 101 -18.692 -4.732 -10.739 1.00 2.53 H new ATOM 0 HB2 LYS P 101 -17.180 -6.653 -11.010 1.00 3.33 H new ATOM 0 HB3 LYS P 101 -15.956 -5.617 -11.716 1.00 3.33 H new ATOM 0 HG2 LYS P 101 -15.487 -6.159 -9.346 1.00 3.59 H new ATOM 0 HG3 LYS P 101 -15.648 -4.435 -9.614 1.00 3.59 H new ATOM 0 HD2 LYS P 101 -18.229 -4.981 -9.049 1.00 4.17 H new ATOM 0 HD3 LYS P 101 -17.499 -6.325 -8.194 1.00 4.17 H new ATOM 0 HE2 LYS P 101 -16.667 -3.438 -7.731 1.00 3.87 H new ATOM 0 HE3 LYS P 101 -17.948 -4.217 -6.824 1.00 3.87 H new ATOM 0 HZ1 LYS P 101 -16.436 -5.218 -5.525 1.00 4.79 H new ATOM 0 HZ2 LYS P 101 -15.636 -5.897 -6.860 1.00 4.79 H new ATOM 0 HZ3 LYS P 101 -15.209 -4.347 -6.312 1.00 4.79 H new ATOM 1059 N ARG P 102 -17.619 -2.373 -10.436 1.00 1.82 N ATOM 1060 CA ARG P 102 -17.171 -0.988 -10.469 1.00 1.79 C ATOM 1061 C ARG P 102 -15.817 -0.779 -9.795 1.00 1.68 C ATOM 1062 O ARG P 102 -15.741 0.132 -8.975 1.00 2.44 O ATOM 1063 CB ARG P 102 -18.186 -0.221 -9.650 1.00 2.74 C ATOM 1064 CG ARG P 102 -19.568 -0.363 -10.242 1.00 3.13 C ATOM 1065 CD ARG P 102 -19.854 0.891 -11.093 1.00 3.07 C ATOM 1066 NE ARG P 102 -21.091 0.926 -11.875 1.00 3.87 N ATOM 1067 CZ ARG P 102 -21.586 2.037 -12.474 1.00 4.56 C ATOM 1068 NH1 ARG P 102 -20.998 3.262 -12.371 1.00 4.74 N ATOM 1069 NH2 ARG P 102 -22.727 1.939 -13.208 1.00 5.39 N ATOM 0 H ARG P 102 -18.145 -2.635 -9.602 1.00 1.82 H new ATOM 0 HA ARG P 102 -17.076 -0.670 -11.507 1.00 1.79 H new ATOM 0 HB2 ARG P 102 -18.185 -0.589 -8.624 1.00 2.74 H new ATOM 0 HB3 ARG P 102 -17.908 0.832 -9.611 1.00 2.74 H new ATOM 0 HG2 ARG P 102 -19.629 -1.262 -10.856 1.00 3.13 H new ATOM 0 HG3 ARG P 102 -20.312 -0.465 -9.452 1.00 3.13 H new ATOM 0 HD2 ARG P 102 -19.857 1.753 -10.426 1.00 3.07 H new ATOM 0 HD3 ARG P 102 -19.020 1.024 -11.782 1.00 3.07 H new ATOM 0 HE ARG P 102 -21.615 0.057 -11.976 1.00 3.87 H new ATOM 0 HH11 ARG P 102 -20.145 3.374 -11.823 1.00 4.74 H new ATOM 0 HH12 ARG P 102 -21.411 4.067 -12.842 1.00 4.74 H new ATOM 0 HH21 ARG P 102 -23.198 1.039 -13.302 1.00 5.39 H new ATOM 0 HH22 ARG P 102 -23.112 2.766 -13.665 1.00 5.39 H new ATOM 1083 N LYS P 103 -14.762 -1.581 -10.155 1.00 1.00 N ATOM 1084 CA LYS P 103 -13.410 -1.474 -9.634 1.00 0.74 C ATOM 1085 C LYS P 103 -13.532 -0.980 -8.198 1.00 0.69 C ATOM 1086 O LYS P 103 -13.082 0.127 -7.901 1.00 0.71 O ATOM 1087 CB LYS P 103 -12.438 -0.631 -10.449 1.00 0.68 C ATOM 1088 CG LYS P 103 -11.038 -1.066 -10.029 1.00 0.90 C ATOM 1089 CD LYS P 103 -9.905 -0.302 -10.707 1.00 1.05 C ATOM 1090 CE LYS P 103 -9.696 1.145 -10.264 1.00 0.69 C ATOM 1091 NZ LYS P 103 -9.275 1.253 -8.814 1.00 1.65 N ATOM 0 H LYS P 103 -14.862 -2.333 -10.837 1.00 1.00 H new ATOM 0 HA LYS P 103 -12.953 -2.462 -9.694 1.00 0.74 H new ATOM 0 HB2 LYS P 103 -12.589 -0.787 -11.517 1.00 0.68 H new ATOM 0 HB3 LYS P 103 -12.589 0.431 -10.257 1.00 0.68 H new ATOM 0 HG2 LYS P 103 -10.944 -0.947 -8.950 1.00 0.90 H new ATOM 0 HG3 LYS P 103 -10.922 -2.128 -10.244 1.00 0.90 H new ATOM 0 HD2 LYS P 103 -8.977 -0.848 -10.538 1.00 1.05 H new ATOM 0 HD3 LYS P 103 -10.086 -0.307 -11.782 1.00 1.05 H new ATOM 0 HE2 LYS P 103 -8.937 1.609 -10.895 1.00 0.69 H new ATOM 0 HE3 LYS P 103 -10.620 1.704 -10.413 1.00 0.69 H new ATOM 0 HZ1 LYS P 103 -9.941 1.868 -8.304 1.00 1.65 H new ATOM 0 HZ2 LYS P 103 -9.276 0.307 -8.381 1.00 1.65 H new ATOM 0 HZ3 LYS P 103 -8.319 1.658 -8.759 1.00 1.65 H new ATOM 1105 N ARG P 104 -14.113 -1.802 -7.253 1.00 0.78 N ATOM 1106 CA ARG P 104 -14.131 -1.219 -5.927 1.00 0.68 C ATOM 1107 C ARG P 104 -12.658 -1.229 -5.572 1.00 0.59 C ATOM 1108 O ARG P 104 -11.922 -2.030 -6.143 1.00 0.85 O ATOM 1109 CB ARG P 104 -14.888 -1.992 -4.853 1.00 0.85 C ATOM 1110 CG ARG P 104 -16.392 -1.816 -5.040 1.00 1.11 C ATOM 1111 CD ARG P 104 -17.268 -2.669 -4.116 1.00 1.30 C ATOM 1112 NE ARG P 104 -17.089 -2.361 -2.698 1.00 1.74 N ATOM 1113 CZ ARG P 104 -17.739 -2.954 -1.672 1.00 2.39 C ATOM 1114 NH1 ARG P 104 -18.724 -3.876 -1.860 1.00 2.76 N ATOM 1115 NH2 ARG P 104 -17.407 -2.618 -0.396 1.00 3.34 N ATOM 0 H ARG P 104 -14.512 -2.732 -7.382 1.00 0.78 H new ATOM 0 HA ARG P 104 -14.643 -0.257 -5.952 1.00 0.68 H new ATOM 0 HB2 ARG P 104 -14.629 -3.049 -4.905 1.00 0.85 H new ATOM 0 HB3 ARG P 104 -14.593 -1.639 -3.865 1.00 0.85 H new ATOM 0 HG2 ARG P 104 -16.641 -0.766 -4.884 1.00 1.11 H new ATOM 0 HG3 ARG P 104 -16.644 -2.053 -6.074 1.00 1.11 H new ATOM 0 HD2 ARG P 104 -18.315 -2.522 -4.383 1.00 1.30 H new ATOM 0 HD3 ARG P 104 -17.041 -3.722 -4.283 1.00 1.30 H new ATOM 0 HE ARG P 104 -16.414 -1.634 -2.462 1.00 1.74 H new ATOM 0 HH11 ARG P 104 -18.998 -4.144 -2.805 1.00 2.76 H new ATOM 0 HH12 ARG P 104 -19.188 -4.298 -1.056 1.00 2.76 H new ATOM 0 HH21 ARG P 104 -16.677 -1.927 -0.224 1.00 3.34 H new ATOM 0 HH22 ARG P 104 -17.889 -3.057 0.389 1.00 3.34 H new ATOM 1129 N ARG P 105 -12.197 -0.321 -4.643 1.00 0.47 N ATOM 1130 CA ARG P 105 -10.785 -0.399 -4.353 1.00 0.46 C ATOM 1131 C ARG P 105 -10.652 -1.747 -3.677 1.00 0.43 C ATOM 1132 O ARG P 105 -11.664 -2.330 -3.295 1.00 0.47 O ATOM 1133 CB ARG P 105 -10.238 0.661 -3.411 1.00 0.60 C ATOM 1134 CG ARG P 105 -8.716 0.679 -3.484 1.00 0.89 C ATOM 1135 CD ARG P 105 -8.129 1.235 -2.185 1.00 0.40 C ATOM 1136 NE ARG P 105 -8.057 2.687 -2.159 1.00 0.45 N ATOM 1137 CZ ARG P 105 -8.011 3.514 -1.089 1.00 0.46 C ATOM 1138 NH1 ARG P 105 -8.139 3.078 0.193 1.00 0.46 N ATOM 1139 NH2 ARG P 105 -7.842 4.849 -1.297 1.00 0.55 N ATOM 0 H ARG P 105 -12.740 0.387 -4.149 1.00 0.47 H new ATOM 0 HA ARG P 105 -10.221 -0.251 -5.274 1.00 0.46 H new ATOM 0 HB2 ARG P 105 -10.636 1.640 -3.679 1.00 0.60 H new ATOM 0 HB3 ARG P 105 -10.560 0.455 -2.390 1.00 0.60 H new ATOM 0 HG2 ARG P 105 -8.341 -0.330 -3.658 1.00 0.89 H new ATOM 0 HG3 ARG P 105 -8.393 1.289 -4.328 1.00 0.89 H new ATOM 0 HD2 ARG P 105 -8.735 0.894 -1.346 1.00 0.40 H new ATOM 0 HD3 ARG P 105 -7.129 0.826 -2.043 1.00 0.40 H new ATOM 0 HE ARG P 105 -8.039 3.144 -3.071 1.00 0.45 H new ATOM 0 HH11 ARG P 105 -8.277 2.085 0.383 1.00 0.46 H new ATOM 0 HH12 ARG P 105 -8.097 3.744 0.965 1.00 0.46 H new ATOM 0 HH21 ARG P 105 -7.753 5.210 -2.247 1.00 0.55 H new ATOM 0 HH22 ARG P 105 -7.805 5.488 -0.503 1.00 0.55 H new ATOM 1153 N VAL P 106 -9.377 -2.220 -3.521 1.00 0.44 N ATOM 1154 CA VAL P 106 -9.198 -3.512 -2.888 1.00 0.58 C ATOM 1155 C VAL P 106 -7.922 -3.350 -2.082 1.00 0.59 C ATOM 1156 O VAL P 106 -6.883 -2.944 -2.596 1.00 0.71 O ATOM 1157 CB VAL P 106 -8.934 -4.758 -3.766 1.00 0.77 C ATOM 1158 CG1 VAL P 106 -10.186 -5.616 -3.920 1.00 0.96 C ATOM 1159 CG2 VAL P 106 -8.318 -4.470 -5.138 1.00 0.42 C ATOM 0 H VAL P 106 -8.524 -1.742 -3.813 1.00 0.44 H new ATOM 0 HA VAL P 106 -10.143 -3.717 -2.384 1.00 0.58 H new ATOM 0 HB VAL P 106 -8.176 -5.313 -3.213 1.00 0.77 H new ATOM 0 HG11 VAL P 106 -9.960 -6.481 -4.543 1.00 0.96 H new ATOM 0 HG12 VAL P 106 -10.519 -5.953 -2.938 1.00 0.96 H new ATOM 0 HG13 VAL P 106 -10.975 -5.028 -4.389 1.00 0.96 H new ATOM 0 HG21 VAL P 106 -8.172 -5.407 -5.675 1.00 0.42 H new ATOM 0 HG22 VAL P 106 -8.986 -3.825 -5.708 1.00 0.42 H new ATOM 0 HG23 VAL P 106 -7.357 -3.973 -5.008 1.00 0.42 H new ATOM 1169 N LEU P 107 -7.974 -3.789 -0.773 1.00 0.51 N ATOM 1170 CA LEU P 107 -6.748 -3.575 -0.011 1.00 0.55 C ATOM 1171 C LEU P 107 -6.432 -5.000 0.356 1.00 0.63 C ATOM 1172 O LEU P 107 -7.309 -5.851 0.230 1.00 0.86 O ATOM 1173 CB LEU P 107 -6.834 -2.679 1.241 1.00 0.52 C ATOM 1174 CG LEU P 107 -7.132 -1.185 1.009 1.00 0.46 C ATOM 1175 CD1 LEU P 107 -6.004 -0.356 0.376 1.00 0.55 C ATOM 1176 CD2 LEU P 107 -8.340 -0.979 0.120 1.00 0.39 C ATOM 0 H LEU P 107 -8.758 -4.235 -0.297 1.00 0.51 H new ATOM 0 HA LEU P 107 -6.007 -3.021 -0.588 1.00 0.55 H new ATOM 0 HB2 LEU P 107 -7.608 -3.082 1.894 1.00 0.52 H new ATOM 0 HB3 LEU P 107 -5.890 -2.757 1.780 1.00 0.52 H new ATOM 0 HG LEU P 107 -7.288 -0.832 2.028 1.00 0.46 H new ATOM 0 HD11 LEU P 107 -6.331 0.677 0.263 1.00 0.55 H new ATOM 0 HD12 LEU P 107 -5.124 -0.389 1.018 1.00 0.55 H new ATOM 0 HD13 LEU P 107 -5.755 -0.767 -0.602 1.00 0.55 H new ATOM 0 HD21 LEU P 107 -8.513 0.088 -0.017 1.00 0.39 H new ATOM 0 HD22 LEU P 107 -8.162 -1.445 -0.849 1.00 0.39 H new ATOM 0 HD23 LEU P 107 -9.216 -1.432 0.585 1.00 0.39 H new ATOM 1188 N PHE P 108 -5.167 -5.227 0.806 1.00 0.43 N ATOM 1189 CA PHE P 108 -4.751 -6.586 1.160 1.00 0.37 C ATOM 1190 C PHE P 108 -4.611 -6.535 2.682 1.00 0.38 C ATOM 1191 O PHE P 108 -4.474 -5.429 3.199 1.00 0.42 O ATOM 1192 CB PHE P 108 -3.451 -6.972 0.449 1.00 0.31 C ATOM 1193 CG PHE P 108 -3.416 -6.730 -1.046 1.00 0.30 C ATOM 1194 CD1 PHE P 108 -4.527 -6.901 -1.856 1.00 1.24 C ATOM 1195 CD2 PHE P 108 -2.203 -6.416 -1.661 1.00 1.21 C ATOM 1196 CE1 PHE P 108 -4.454 -6.650 -3.227 1.00 1.22 C ATOM 1197 CE2 PHE P 108 -2.111 -6.285 -3.042 1.00 1.23 C ATOM 1198 CZ PHE P 108 -3.247 -6.353 -3.841 1.00 0.32 C ATOM 0 H PHE P 108 -4.453 -4.509 0.924 1.00 0.43 H new ATOM 0 HA PHE P 108 -5.460 -7.352 0.847 1.00 0.37 H new ATOM 0 HB2 PHE P 108 -2.631 -6.418 0.906 1.00 0.31 H new ATOM 0 HB3 PHE P 108 -3.261 -8.030 0.631 1.00 0.31 H new ATOM 0 HD1 PHE P 108 -5.459 -7.232 -1.422 1.00 1.24 H new ATOM 0 HD2 PHE P 108 -1.321 -6.272 -1.054 1.00 1.21 H new ATOM 0 HE1 PHE P 108 -5.355 -6.688 -3.821 1.00 1.22 H new ATOM 0 HE2 PHE P 108 -1.145 -6.129 -3.500 1.00 1.23 H new ATOM 0 HZ PHE P 108 -3.191 -6.180 -4.906 1.00 0.32 H new ATOM 1208 N THR P 109 -4.700 -7.699 3.431 1.00 0.36 N ATOM 1209 CA THR P 109 -4.576 -7.571 4.886 1.00 0.37 C ATOM 1210 C THR P 109 -3.169 -7.045 5.089 1.00 0.36 C ATOM 1211 O THR P 109 -2.367 -7.129 4.171 1.00 0.34 O ATOM 1212 CB THR P 109 -4.878 -8.782 5.794 1.00 0.36 C ATOM 1213 OG1 THR P 109 -3.852 -9.773 5.831 1.00 0.32 O ATOM 1214 CG2 THR P 109 -6.199 -9.451 5.390 1.00 0.37 C ATOM 0 H THR P 109 -4.844 -8.641 3.067 1.00 0.36 H new ATOM 0 HA THR P 109 -5.382 -6.918 5.222 1.00 0.37 H new ATOM 0 HB THR P 109 -4.944 -8.362 6.798 1.00 0.36 H new ATOM 0 HG1 THR P 109 -4.122 -10.501 6.428 1.00 0.32 H new ATOM 0 HG21 THR P 109 -6.391 -10.302 6.044 1.00 0.37 H new ATOM 0 HG22 THR P 109 -7.014 -8.732 5.481 1.00 0.37 H new ATOM 0 HG23 THR P 109 -6.132 -9.795 4.358 1.00 0.37 H new ATOM 1222 N LYS P 110 -2.866 -6.401 6.269 1.00 0.40 N ATOM 1223 CA LYS P 110 -1.496 -5.950 6.427 1.00 0.41 C ATOM 1224 C LYS P 110 -0.572 -7.158 6.418 1.00 0.37 C ATOM 1225 O LYS P 110 0.621 -6.988 6.193 1.00 0.36 O ATOM 1226 CB LYS P 110 -1.258 -5.342 7.788 1.00 0.47 C ATOM 1227 CG LYS P 110 0.210 -4.955 7.924 1.00 0.56 C ATOM 1228 CD LYS P 110 0.592 -4.149 9.173 1.00 0.62 C ATOM 1229 CE LYS P 110 0.066 -2.715 9.069 1.00 0.69 C ATOM 1230 NZ LYS P 110 0.544 -1.880 10.241 1.00 0.77 N ATOM 0 H LYS P 110 -3.506 -6.210 7.040 1.00 0.40 H new ATOM 0 HA LYS P 110 -1.314 -5.234 5.625 1.00 0.41 H new ATOM 0 HB2 LYS P 110 -1.890 -4.464 7.921 1.00 0.47 H new ATOM 0 HB3 LYS P 110 -1.531 -6.053 8.568 1.00 0.47 H new ATOM 0 HG2 LYS P 110 0.806 -5.867 7.911 1.00 0.56 H new ATOM 0 HG3 LYS P 110 0.493 -4.377 7.045 1.00 0.56 H new ATOM 0 HD2 LYS P 110 0.182 -4.629 10.062 1.00 0.62 H new ATOM 0 HD3 LYS P 110 1.676 -4.137 9.288 1.00 0.62 H new ATOM 0 HE2 LYS P 110 0.404 -2.266 8.135 1.00 0.69 H new ATOM 0 HE3 LYS P 110 -1.024 -2.723 9.043 1.00 0.69 H new ATOM 0 HZ1 LYS P 110 0.176 -0.912 10.150 1.00 0.77 H new ATOM 0 HZ2 LYS P 110 0.201 -2.299 11.129 1.00 0.77 H new ATOM 0 HZ3 LYS P 110 1.584 -1.856 10.249 1.00 0.77 H new ATOM 1244 N ALA P 111 -1.076 -8.398 6.750 1.00 0.35 N ATOM 1245 CA ALA P 111 -0.177 -9.561 6.720 1.00 0.32 C ATOM 1246 C ALA P 111 0.088 -9.945 5.248 1.00 0.27 C ATOM 1247 O ALA P 111 1.183 -10.397 4.929 1.00 0.28 O ATOM 1248 CB ALA P 111 -0.767 -10.807 7.382 1.00 0.32 C ATOM 0 H ALA P 111 -2.040 -8.590 7.022 1.00 0.35 H new ATOM 0 HA ALA P 111 0.720 -9.265 7.263 1.00 0.32 H new ATOM 0 HB1 ALA P 111 -0.049 -11.625 7.323 1.00 0.32 H new ATOM 0 HB2 ALA P 111 -0.988 -10.593 8.428 1.00 0.32 H new ATOM 0 HB3 ALA P 111 -1.685 -11.092 6.868 1.00 0.32 H new ATOM 1254 N GLN P 112 -0.924 -9.813 4.320 1.00 0.25 N ATOM 1255 CA GLN P 112 -0.759 -10.144 2.914 1.00 0.22 C ATOM 1256 C GLN P 112 0.359 -9.203 2.442 1.00 0.22 C ATOM 1257 O GLN P 112 1.363 -9.717 1.969 1.00 0.21 O ATOM 1258 CB GLN P 112 -2.101 -9.967 2.161 1.00 0.24 C ATOM 1259 CG GLN P 112 -3.131 -11.022 2.613 1.00 0.26 C ATOM 1260 CD GLN P 112 -4.398 -11.061 1.750 1.00 0.29 C ATOM 1261 OE1 GLN P 112 -4.600 -10.094 1.029 1.00 0.30 O ATOM 1262 NE2 GLN P 112 -5.298 -12.141 1.780 1.00 0.33 N ATOM 0 H GLN P 112 -1.857 -9.475 4.555 1.00 0.25 H new ATOM 0 HA GLN P 112 -0.485 -11.182 2.725 1.00 0.22 H new ATOM 0 HB2 GLN P 112 -2.495 -8.967 2.343 1.00 0.24 H new ATOM 0 HB3 GLN P 112 -1.934 -10.053 1.087 1.00 0.24 H new ATOM 0 HG2 GLN P 112 -2.661 -12.005 2.596 1.00 0.26 H new ATOM 0 HG3 GLN P 112 -3.413 -10.821 3.647 1.00 0.26 H new ATOM 0 HE21 GLN P 112 -5.115 -12.940 2.387 1.00 0.33 H new ATOM 0 HE22 GLN P 112 -6.133 -12.125 1.195 1.00 0.33 H new ATOM 1271 N THR P 113 0.176 -7.846 2.599 1.00 0.25 N ATOM 1272 CA THR P 113 1.054 -6.728 2.263 1.00 0.25 C ATOM 1273 C THR P 113 2.445 -6.970 2.821 1.00 0.24 C ATOM 1274 O THR P 113 3.408 -6.565 2.183 1.00 0.24 O ATOM 1275 CB THR P 113 0.561 -5.445 2.885 1.00 0.28 C ATOM 1276 OG1 THR P 113 -0.708 -5.144 2.329 1.00 0.30 O ATOM 1277 CG2 THR P 113 1.574 -4.319 2.815 1.00 0.31 C ATOM 0 H THR P 113 -0.692 -7.502 3.010 1.00 0.25 H new ATOM 0 HA THR P 113 1.067 -6.648 1.176 1.00 0.25 H new ATOM 0 HB THR P 113 0.435 -5.577 3.960 1.00 0.28 H new ATOM 0 HG1 THR P 113 -1.399 -5.666 2.788 1.00 0.30 H new ATOM 0 HG21 THR P 113 1.157 -3.425 3.279 1.00 0.31 H new ATOM 0 HG22 THR P 113 2.481 -4.613 3.343 1.00 0.31 H new ATOM 0 HG23 THR P 113 1.813 -4.108 1.772 1.00 0.31 H new ATOM 1285 N TYR P 114 2.583 -7.609 4.022 1.00 0.27 N ATOM 1286 CA TYR P 114 3.898 -7.822 4.604 1.00 0.29 C ATOM 1287 C TYR P 114 4.720 -8.810 3.807 1.00 0.26 C ATOM 1288 O TYR P 114 5.936 -8.657 3.738 1.00 0.28 O ATOM 1289 CB TYR P 114 3.736 -8.340 6.031 1.00 0.31 C ATOM 1290 CG TYR P 114 4.971 -8.875 6.713 1.00 0.43 C ATOM 1291 CD1 TYR P 114 6.149 -8.148 6.775 1.00 1.26 C ATOM 1292 CD2 TYR P 114 4.956 -10.157 7.260 1.00 1.35 C ATOM 1293 CE1 TYR P 114 7.268 -8.642 7.433 1.00 1.32 C ATOM 1294 CE2 TYR P 114 6.053 -10.660 7.937 1.00 1.52 C ATOM 1295 CZ TYR P 114 7.211 -9.884 8.064 1.00 0.89 C ATOM 1296 OH TYR P 114 8.258 -10.405 8.775 1.00 1.14 O ATOM 0 H TYR P 114 1.806 -7.969 4.576 1.00 0.27 H new ATOM 0 HA TYR P 114 4.425 -6.868 4.596 1.00 0.29 H new ATOM 0 HB2 TYR P 114 3.337 -7.530 6.641 1.00 0.31 H new ATOM 0 HB3 TYR P 114 2.986 -9.131 6.021 1.00 0.31 H new ATOM 0 HD1 TYR P 114 6.198 -7.178 6.302 1.00 1.26 H new ATOM 0 HD2 TYR P 114 4.072 -10.769 7.154 1.00 1.35 H new ATOM 0 HE1 TYR P 114 8.181 -8.065 7.456 1.00 1.32 H new ATOM 0 HE2 TYR P 114 6.016 -11.650 8.367 1.00 1.52 H new ATOM 0 HH TYR P 114 8.006 -11.282 9.133 1.00 1.14 H new ATOM 1306 N GLU P 115 4.062 -9.864 3.255 1.00 0.23 N ATOM 1307 CA GLU P 115 4.690 -10.872 2.452 1.00 0.20 C ATOM 1308 C GLU P 115 4.951 -10.195 1.098 1.00 0.18 C ATOM 1309 O GLU P 115 5.954 -10.569 0.503 1.00 0.22 O ATOM 1310 CB GLU P 115 3.796 -12.110 2.251 1.00 0.20 C ATOM 1311 CG GLU P 115 3.137 -12.799 3.461 1.00 0.29 C ATOM 1312 CD GLU P 115 3.689 -12.659 4.894 1.00 1.34 C ATOM 1313 OE1 GLU P 115 4.899 -12.462 5.018 1.00 2.12 O ATOM 1314 OE2 GLU P 115 2.823 -12.811 5.763 1.00 2.01 O ATOM 0 H GLU P 115 3.060 -10.012 3.376 1.00 0.23 H new ATOM 0 HA GLU P 115 5.597 -11.235 2.935 1.00 0.20 H new ATOM 0 HB2 GLU P 115 2.996 -11.823 1.568 1.00 0.20 H new ATOM 0 HB3 GLU P 115 4.397 -12.862 1.739 1.00 0.20 H new ATOM 0 HG2 GLU P 115 2.103 -12.457 3.490 1.00 0.29 H new ATOM 0 HG3 GLU P 115 3.114 -13.866 3.238 1.00 0.29 H new ATOM 1321 N LEU P 116 4.153 -9.170 0.589 1.00 0.17 N ATOM 1322 CA LEU P 116 4.493 -8.583 -0.708 1.00 0.16 C ATOM 1323 C LEU P 116 5.684 -7.662 -0.506 1.00 0.18 C ATOM 1324 O LEU P 116 6.529 -7.588 -1.387 1.00 0.20 O ATOM 1325 CB LEU P 116 3.402 -7.770 -1.404 1.00 0.16 C ATOM 1326 CG LEU P 116 2.155 -8.588 -1.767 1.00 0.18 C ATOM 1327 CD1 LEU P 116 0.941 -8.292 -0.910 1.00 0.22 C ATOM 1328 CD2 LEU P 116 1.730 -8.198 -3.170 1.00 0.20 C ATOM 0 H LEU P 116 3.331 -8.779 1.049 1.00 0.17 H new ATOM 0 HA LEU P 116 4.681 -9.436 -1.360 1.00 0.16 H new ATOM 0 HB2 LEU P 116 3.108 -6.945 -0.756 1.00 0.16 H new ATOM 0 HB3 LEU P 116 3.814 -7.330 -2.312 1.00 0.16 H new ATOM 0 HG LEU P 116 2.440 -9.632 -1.637 1.00 0.18 H new ATOM 0 HD11 LEU P 116 0.106 -8.913 -1.235 1.00 0.22 H new ATOM 0 HD12 LEU P 116 1.170 -8.509 0.133 1.00 0.22 H new ATOM 0 HD13 LEU P 116 0.672 -7.241 -1.011 1.00 0.22 H new ATOM 0 HD21 LEU P 116 0.844 -8.766 -3.453 1.00 0.20 H new ATOM 0 HD22 LEU P 116 1.502 -7.132 -3.198 1.00 0.20 H new ATOM 0 HD23 LEU P 116 2.538 -8.415 -3.868 1.00 0.20 H new ATOM 1340 N GLU P 117 5.755 -6.909 0.639 1.00 0.22 N ATOM 1341 CA GLU P 117 6.848 -6.035 0.987 1.00 0.26 C ATOM 1342 C GLU P 117 8.094 -6.874 1.107 1.00 0.26 C ATOM 1343 O GLU P 117 9.218 -6.407 0.971 1.00 0.28 O ATOM 1344 CB GLU P 117 6.583 -5.594 2.413 1.00 0.29 C ATOM 1345 CG GLU P 117 5.594 -4.435 2.554 1.00 0.30 C ATOM 1346 CD GLU P 117 6.075 -3.555 3.735 1.00 0.34 C ATOM 1347 OE1 GLU P 117 6.305 -4.200 4.764 1.00 1.10 O ATOM 1348 OE2 GLU P 117 6.183 -2.345 3.524 1.00 1.23 O ATOM 0 H GLU P 117 5.016 -6.918 1.342 1.00 0.22 H new ATOM 0 HA GLU P 117 6.946 -5.225 0.264 1.00 0.26 H new ATOM 0 HB2 GLU P 117 6.205 -6.446 2.977 1.00 0.29 H new ATOM 0 HB3 GLU P 117 7.529 -5.303 2.870 1.00 0.29 H new ATOM 0 HG2 GLU P 117 5.552 -3.852 1.634 1.00 0.30 H new ATOM 0 HG3 GLU P 117 4.588 -4.810 2.740 1.00 0.30 H new ATOM 1355 N ARG P 118 7.849 -8.162 1.462 1.00 0.27 N ATOM 1356 CA ARG P 118 8.840 -9.167 1.645 1.00 0.29 C ATOM 1357 C ARG P 118 9.459 -9.454 0.286 1.00 0.28 C ATOM 1358 O ARG P 118 10.650 -9.221 0.116 1.00 0.30 O ATOM 1359 CB ARG P 118 8.053 -10.384 2.146 1.00 0.28 C ATOM 1360 CG ARG P 118 7.819 -10.616 3.647 1.00 0.32 C ATOM 1361 CD ARG P 118 9.001 -11.356 4.273 1.00 0.38 C ATOM 1362 NE ARG P 118 8.874 -11.730 5.683 1.00 0.71 N ATOM 1363 CZ ARG P 118 9.839 -12.395 6.369 1.00 1.55 C ATOM 1364 NH1 ARG P 118 11.110 -12.547 5.898 1.00 2.26 N ATOM 1365 NH2 ARG P 118 9.544 -12.941 7.579 1.00 1.78 N ATOM 0 H ARG P 118 6.904 -8.508 1.627 1.00 0.27 H new ATOM 0 HA ARG P 118 9.637 -8.893 2.336 1.00 0.29 H new ATOM 0 HB2 ARG P 118 7.072 -10.346 1.673 1.00 0.28 H new ATOM 0 HB3 ARG P 118 8.558 -11.270 1.762 1.00 0.28 H new ATOM 0 HG2 ARG P 118 7.676 -9.659 4.149 1.00 0.32 H new ATOM 0 HG3 ARG P 118 6.905 -11.192 3.792 1.00 0.32 H new ATOM 0 HD2 ARG P 118 9.178 -12.263 3.696 1.00 0.38 H new ATOM 0 HD3 ARG P 118 9.888 -10.732 4.166 1.00 0.38 H new ATOM 0 HE ARG P 118 8.017 -11.478 6.175 1.00 0.71 H new ATOM 0 HH11 ARG P 118 11.369 -12.152 4.994 1.00 2.26 H new ATOM 0 HH12 ARG P 118 11.801 -13.055 6.450 1.00 2.26 H new ATOM 0 HH21 ARG P 118 8.604 -12.849 7.964 1.00 1.78 H new ATOM 0 HH22 ARG P 118 10.263 -13.442 8.101 1.00 1.78 H new ATOM 1379 N ARG P 119 8.663 -9.985 -0.690 1.00 0.26 N ATOM 1380 CA ARG P 119 9.234 -10.314 -1.969 1.00 0.25 C ATOM 1381 C ARG P 119 9.737 -9.066 -2.678 1.00 0.24 C ATOM 1382 O ARG P 119 10.633 -9.273 -3.488 1.00 0.25 O ATOM 1383 CB ARG P 119 8.296 -11.081 -2.904 1.00 0.23 C ATOM 1384 CG ARG P 119 8.181 -12.571 -2.544 1.00 0.30 C ATOM 1385 CD ARG P 119 9.374 -13.392 -3.132 1.00 0.40 C ATOM 1386 NE ARG P 119 9.877 -14.623 -2.487 1.00 0.43 N ATOM 1387 CZ ARG P 119 10.752 -15.479 -3.072 1.00 0.79 C ATOM 1388 NH1 ARG P 119 11.223 -15.329 -4.340 1.00 1.30 N ATOM 1389 NH2 ARG P 119 11.184 -16.556 -2.358 1.00 0.82 N ATOM 0 H ARG P 119 7.666 -10.177 -0.593 1.00 0.26 H new ATOM 0 HA ARG P 119 10.063 -10.983 -1.739 1.00 0.25 H new ATOM 0 HB2 ARG P 119 7.306 -10.627 -2.870 1.00 0.23 H new ATOM 0 HB3 ARG P 119 8.655 -10.986 -3.929 1.00 0.23 H new ATOM 0 HG2 ARG P 119 8.158 -12.685 -1.460 1.00 0.30 H new ATOM 0 HG3 ARG P 119 7.240 -12.968 -2.926 1.00 0.30 H new ATOM 0 HD2 ARG P 119 9.096 -13.663 -4.150 1.00 0.40 H new ATOM 0 HD3 ARG P 119 10.220 -12.708 -3.204 1.00 0.40 H new ATOM 0 HE ARG P 119 9.547 -14.842 -1.547 1.00 0.43 H new ATOM 0 HH11 ARG P 119 10.919 -14.538 -4.907 1.00 1.30 H new ATOM 0 HH12 ARG P 119 11.880 -16.008 -4.723 1.00 1.30 H new ATOM 0 HH21 ARG P 119 10.849 -16.704 -1.406 1.00 0.82 H new ATOM 0 HH22 ARG P 119 11.842 -17.214 -2.776 1.00 0.82 H new ATOM 1403 N PHE P 120 9.300 -7.776 -2.438 1.00 0.24 N ATOM 1404 CA PHE P 120 9.928 -6.726 -3.235 1.00 0.26 C ATOM 1405 C PHE P 120 11.204 -6.255 -2.549 1.00 0.28 C ATOM 1406 O PHE P 120 12.180 -5.901 -3.208 1.00 0.30 O ATOM 1407 CB PHE P 120 9.073 -5.474 -3.408 1.00 0.31 C ATOM 1408 CG PHE P 120 9.590 -4.585 -4.519 1.00 0.24 C ATOM 1409 CD1 PHE P 120 10.580 -3.628 -4.293 1.00 1.24 C ATOM 1410 CD2 PHE P 120 9.088 -4.737 -5.811 1.00 1.22 C ATOM 1411 CE1 PHE P 120 11.057 -2.857 -5.348 1.00 1.27 C ATOM 1412 CE2 PHE P 120 9.563 -3.973 -6.871 1.00 1.18 C ATOM 1413 CZ PHE P 120 10.550 -3.019 -6.637 1.00 0.24 C ATOM 0 H PHE P 120 8.589 -7.486 -1.766 1.00 0.24 H new ATOM 0 HA PHE P 120 10.097 -7.180 -4.211 1.00 0.26 H new ATOM 0 HB2 PHE P 120 8.045 -5.764 -3.624 1.00 0.31 H new ATOM 0 HB3 PHE P 120 9.056 -4.914 -2.473 1.00 0.31 H new ATOM 0 HD1 PHE P 120 10.976 -3.486 -3.298 1.00 1.24 H new ATOM 0 HD2 PHE P 120 8.312 -5.466 -5.993 1.00 1.22 H new ATOM 0 HE1 PHE P 120 11.829 -2.124 -5.167 1.00 1.27 H new ATOM 0 HE2 PHE P 120 9.170 -4.118 -7.867 1.00 1.18 H new ATOM 0 HZ PHE P 120 10.920 -2.409 -7.448 1.00 0.24 H new ATOM 1423 N ARG P 121 11.202 -6.219 -1.172 1.00 0.30 N ATOM 1424 CA ARG P 121 12.340 -5.712 -0.447 1.00 0.36 C ATOM 1425 C ARG P 121 13.527 -6.661 -0.646 1.00 0.39 C ATOM 1426 O ARG P 121 14.673 -6.264 -0.436 1.00 0.46 O ATOM 1427 CB ARG P 121 11.966 -5.594 1.035 1.00 0.36 C ATOM 1428 CG ARG P 121 10.883 -4.545 1.426 1.00 0.42 C ATOM 1429 CD ARG P 121 11.159 -3.063 1.116 1.00 0.65 C ATOM 1430 NE ARG P 121 12.294 -2.576 1.905 1.00 1.42 N ATOM 1431 CZ ARG P 121 12.799 -1.323 1.894 1.00 2.12 C ATOM 1432 NH1 ARG P 121 12.298 -0.337 1.100 1.00 2.45 N ATOM 1433 NH2 ARG P 121 13.851 -1.027 2.704 1.00 3.11 N ATOM 0 H ARG P 121 10.428 -6.535 -0.588 1.00 0.30 H new ATOM 0 HA ARG P 121 12.626 -4.727 -0.815 1.00 0.36 H new ATOM 0 HB2 ARG P 121 11.624 -6.572 1.374 1.00 0.36 H new ATOM 0 HB3 ARG P 121 12.874 -5.363 1.593 1.00 0.36 H new ATOM 0 HG2 ARG P 121 9.955 -4.822 0.926 1.00 0.42 H new ATOM 0 HG3 ARG P 121 10.706 -4.633 2.498 1.00 0.42 H new ATOM 0 HD2 ARG P 121 11.368 -2.941 0.053 1.00 0.65 H new ATOM 0 HD3 ARG P 121 10.273 -2.468 1.337 1.00 0.65 H new ATOM 0 HE ARG P 121 12.747 -3.249 2.523 1.00 1.42 H new ATOM 0 HH11 ARG P 121 11.510 -0.531 0.482 1.00 2.45 H new ATOM 0 HH12 ARG P 121 12.710 0.596 1.124 1.00 2.45 H new ATOM 0 HH21 ARG P 121 14.248 -1.747 3.308 1.00 3.11 H new ATOM 0 HH22 ARG P 121 14.243 -0.085 2.707 1.00 3.11 H new ATOM 1447 N GLN P 122 13.266 -7.941 -1.079 1.00 0.36 N ATOM 1448 CA GLN P 122 14.266 -8.970 -1.307 1.00 0.38 C ATOM 1449 C GLN P 122 14.587 -9.120 -2.799 1.00 0.41 C ATOM 1450 O GLN P 122 15.660 -9.594 -3.165 1.00 0.50 O ATOM 1451 CB GLN P 122 13.592 -10.312 -0.973 1.00 0.34 C ATOM 1452 CG GLN P 122 13.359 -10.556 0.526 1.00 0.34 C ATOM 1453 CD GLN P 122 12.362 -11.722 0.711 1.00 0.37 C ATOM 1454 OE1 GLN P 122 12.488 -12.669 -0.061 1.00 0.61 O ATOM 1455 NE2 GLN P 122 11.380 -11.712 1.716 1.00 0.29 N ATOM 0 H GLN P 122 12.318 -8.263 -1.276 1.00 0.36 H new ATOM 0 HA GLN P 122 15.154 -8.717 -0.727 1.00 0.38 H new ATOM 0 HB2 GLN P 122 12.633 -10.360 -1.489 1.00 0.34 H new ATOM 0 HB3 GLN P 122 14.207 -11.121 -1.368 1.00 0.34 H new ATOM 0 HG2 GLN P 122 14.303 -10.790 1.018 1.00 0.34 H new ATOM 0 HG3 GLN P 122 12.970 -9.653 0.996 1.00 0.34 H new ATOM 0 HE21 GLN P 122 11.300 -10.911 2.342 1.00 0.29 H new ATOM 0 HE22 GLN P 122 10.748 -12.506 1.819 1.00 0.29 H new ATOM 1464 N GLN P 123 13.619 -8.689 -3.673 1.00 0.37 N ATOM 1465 CA GLN P 123 13.771 -8.930 -5.086 1.00 0.43 C ATOM 1466 C GLN P 123 12.848 -8.018 -5.900 1.00 0.37 C ATOM 1467 O GLN P 123 11.637 -7.955 -5.732 1.00 0.40 O ATOM 1468 CB GLN P 123 13.289 -10.363 -5.128 1.00 0.57 C ATOM 1469 CG GLN P 123 12.683 -11.020 -6.357 1.00 0.60 C ATOM 1470 CD GLN P 123 13.629 -11.361 -7.471 1.00 0.58 C ATOM 1471 OE1 GLN P 123 14.386 -10.552 -7.992 1.00 1.19 O ATOM 1472 NE2 GLN P 123 13.437 -12.682 -7.878 1.00 0.53 N ATOM 0 H GLN P 123 12.768 -8.194 -3.404 1.00 0.37 H new ATOM 0 HA GLN P 123 14.766 -8.751 -5.494 1.00 0.43 H new ATOM 0 HB2 GLN P 123 14.141 -10.979 -4.842 1.00 0.57 H new ATOM 0 HB3 GLN P 123 12.547 -10.458 -4.335 1.00 0.57 H new ATOM 0 HG2 GLN P 123 12.183 -11.936 -6.042 1.00 0.60 H new ATOM 0 HG3 GLN P 123 11.914 -10.357 -6.754 1.00 0.60 H new ATOM 0 HE21 GLN P 123 12.781 -13.280 -7.376 1.00 0.53 H new ATOM 0 HE22 GLN P 123 13.953 -13.050 -8.677 1.00 0.53 H new ATOM 1481 N ARG P 124 13.470 -7.323 -6.923 1.00 0.36 N ATOM 1482 CA ARG P 124 12.734 -6.390 -7.756 1.00 0.37 C ATOM 1483 C ARG P 124 11.939 -6.954 -8.955 1.00 0.31 C ATOM 1484 O ARG P 124 11.168 -6.196 -9.549 1.00 0.30 O ATOM 1485 CB ARG P 124 13.823 -5.566 -8.431 1.00 0.52 C ATOM 1486 CG ARG P 124 13.447 -4.166 -8.898 1.00 0.94 C ATOM 1487 CD ARG P 124 14.800 -3.454 -9.257 1.00 1.05 C ATOM 1488 NE ARG P 124 14.894 -2.412 -10.321 1.00 1.53 N ATOM 1489 CZ ARG P 124 16.020 -1.671 -10.501 1.00 2.66 C ATOM 1490 NH1 ARG P 124 17.059 -1.641 -9.621 1.00 3.41 N ATOM 1491 NH2 ARG P 124 16.121 -0.909 -11.625 1.00 3.12 N ATOM 0 H ARG P 124 14.458 -7.413 -7.158 1.00 0.36 H new ATOM 0 HA ARG P 124 12.010 -5.912 -7.096 1.00 0.37 H new ATOM 0 HB2 ARG P 124 14.659 -5.478 -7.737 1.00 0.52 H new ATOM 0 HB3 ARG P 124 14.183 -6.125 -9.295 1.00 0.52 H new ATOM 0 HG2 ARG P 124 12.786 -4.207 -9.764 1.00 0.94 H new ATOM 0 HG3 ARG P 124 12.915 -3.623 -8.116 1.00 0.94 H new ATOM 0 HD2 ARG P 124 15.167 -2.997 -8.338 1.00 1.05 H new ATOM 0 HD3 ARG P 124 15.506 -4.240 -9.525 1.00 1.05 H new ATOM 0 HE ARG P 124 14.092 -2.251 -10.930 1.00 1.53 H new ATOM 0 HH11 ARG P 124 17.020 -2.197 -8.767 1.00 3.41 H new ATOM 0 HH12 ARG P 124 17.876 -1.063 -9.816 1.00 3.41 H new ATOM 0 HH21 ARG P 124 15.363 -0.904 -12.307 1.00 3.12 H new ATOM 0 HH22 ARG P 124 16.955 -0.344 -11.785 1.00 3.12 H new ATOM 1505 N TYR P 125 12.184 -8.238 -9.392 1.00 0.32 N ATOM 1506 CA TYR P 125 11.464 -8.803 -10.537 1.00 0.35 C ATOM 1507 C TYR P 125 11.046 -10.215 -10.083 1.00 0.37 C ATOM 1508 O TYR P 125 11.880 -11.004 -9.648 1.00 0.42 O ATOM 1509 CB TYR P 125 12.345 -8.915 -11.781 1.00 0.41 C ATOM 1510 CG TYR P 125 12.668 -7.592 -12.444 1.00 0.38 C ATOM 1511 CD1 TYR P 125 11.826 -7.059 -13.417 1.00 1.21 C ATOM 1512 CD2 TYR P 125 13.815 -6.882 -12.113 1.00 1.32 C ATOM 1513 CE1 TYR P 125 12.110 -5.850 -14.042 1.00 1.26 C ATOM 1514 CE2 TYR P 125 14.114 -5.669 -12.717 1.00 1.39 C ATOM 1515 CZ TYR P 125 13.260 -5.142 -13.689 1.00 0.62 C ATOM 1516 OH TYR P 125 13.603 -3.944 -14.258 1.00 0.75 O ATOM 0 H TYR P 125 12.862 -8.868 -8.964 1.00 0.32 H new ATOM 0 HA TYR P 125 10.624 -8.166 -10.813 1.00 0.35 H new ATOM 0 HB2 TYR P 125 13.278 -9.407 -11.507 1.00 0.41 H new ATOM 0 HB3 TYR P 125 11.847 -9.558 -12.506 1.00 0.41 H new ATOM 0 HD1 TYR P 125 10.931 -7.598 -13.693 1.00 1.21 H new ATOM 0 HD2 TYR P 125 14.488 -7.283 -11.370 1.00 1.32 H new ATOM 0 HE1 TYR P 125 11.444 -5.460 -14.797 1.00 1.26 H new ATOM 0 HE2 TYR P 125 15.008 -5.132 -12.435 1.00 1.39 H new ATOM 0 HH TYR P 125 14.442 -3.623 -13.865 1.00 0.75 H new ATOM 1526 N LEU P 126 9.702 -10.557 -10.202 1.00 0.37 N ATOM 1527 CA LEU P 126 9.253 -11.896 -9.753 1.00 0.37 C ATOM 1528 C LEU P 126 8.952 -12.741 -11.016 1.00 0.39 C ATOM 1529 O LEU P 126 8.429 -12.197 -11.982 1.00 0.40 O ATOM 1530 CB LEU P 126 8.111 -11.996 -8.681 1.00 0.35 C ATOM 1531 CG LEU P 126 8.570 -11.698 -7.241 1.00 0.39 C ATOM 1532 CD1 LEU P 126 7.357 -11.615 -6.300 1.00 0.44 C ATOM 1533 CD2 LEU P 126 9.423 -12.830 -6.675 1.00 0.41 C ATOM 0 H LEU P 126 8.973 -9.953 -10.582 1.00 0.37 H new ATOM 0 HA LEU P 126 10.084 -12.291 -9.169 1.00 0.37 H new ATOM 0 HB2 LEU P 126 7.315 -11.301 -8.948 1.00 0.35 H new ATOM 0 HB3 LEU P 126 7.683 -12.998 -8.714 1.00 0.35 H new ATOM 0 HG LEU P 126 9.130 -10.764 -7.292 1.00 0.39 H new ATOM 0 HD11 LEU P 126 7.697 -11.404 -5.286 1.00 0.44 H new ATOM 0 HD12 LEU P 126 6.692 -10.818 -6.633 1.00 0.44 H new ATOM 0 HD13 LEU P 126 6.821 -12.564 -6.313 1.00 0.44 H new ATOM 0 HD21 LEU P 126 9.727 -12.583 -5.658 1.00 0.41 H new ATOM 0 HD22 LEU P 126 8.843 -13.753 -6.666 1.00 0.41 H new ATOM 0 HD23 LEU P 126 10.309 -12.964 -7.296 1.00 0.41 H new ATOM 1545 N SER P 127 9.328 -14.091 -11.044 1.00 0.43 N ATOM 1546 CA SER P 127 9.060 -14.858 -12.261 1.00 0.47 C ATOM 1547 C SER P 127 7.645 -15.369 -12.152 1.00 0.45 C ATOM 1548 O SER P 127 7.024 -15.124 -11.125 1.00 0.42 O ATOM 1549 CB SER P 127 10.178 -15.898 -12.462 1.00 0.54 C ATOM 1550 OG SER P 127 10.830 -16.259 -11.265 1.00 0.89 O ATOM 0 H SER P 127 9.779 -14.600 -10.284 1.00 0.43 H new ATOM 0 HA SER P 127 9.095 -14.275 -13.181 1.00 0.47 H new ATOM 0 HB2 SER P 127 9.754 -16.792 -12.920 1.00 0.54 H new ATOM 0 HB3 SER P 127 10.913 -15.500 -13.161 1.00 0.54 H new ATOM 0 HG SER P 127 11.526 -16.921 -11.458 1.00 0.89 H new ATOM 1556 N ALA P 128 7.088 -16.019 -13.236 1.00 0.48 N ATOM 1557 CA ALA P 128 5.715 -16.478 -13.134 1.00 0.47 C ATOM 1558 C ALA P 128 5.528 -17.554 -12.066 1.00 0.45 C ATOM 1559 O ALA P 128 4.482 -17.480 -11.426 1.00 0.44 O ATOM 1560 CB ALA P 128 5.136 -17.018 -14.441 1.00 0.54 C ATOM 0 H ALA P 128 7.559 -16.211 -14.120 1.00 0.48 H new ATOM 0 HA ALA P 128 5.173 -15.574 -12.858 1.00 0.47 H new ATOM 0 HB1 ALA P 128 4.107 -17.340 -14.278 1.00 0.54 H new ATOM 0 HB2 ALA P 128 5.155 -16.235 -15.199 1.00 0.54 H new ATOM 0 HB3 ALA P 128 5.732 -17.866 -14.780 1.00 0.54 H new ATOM 1566 N PRO P 129 6.496 -18.486 -11.754 1.00 0.48 N ATOM 1567 CA PRO P 129 6.194 -19.487 -10.720 1.00 0.45 C ATOM 1568 C PRO P 129 6.335 -18.915 -9.298 1.00 0.43 C ATOM 1569 O PRO P 129 5.529 -19.239 -8.430 1.00 0.46 O ATOM 1570 CB PRO P 129 7.178 -20.647 -10.934 1.00 0.52 C ATOM 1571 CG PRO P 129 7.358 -20.571 -12.446 1.00 0.56 C ATOM 1572 CD PRO P 129 7.368 -19.089 -12.747 1.00 0.54 C ATOM 0 HA PRO P 129 5.158 -19.815 -10.810 1.00 0.45 H new ATOM 0 HB2 PRO P 129 8.115 -20.503 -10.396 1.00 0.52 H new ATOM 0 HB3 PRO P 129 6.769 -21.604 -10.611 1.00 0.52 H new ATOM 0 HG2 PRO P 129 8.287 -21.047 -12.760 1.00 0.56 H new ATOM 0 HG3 PRO P 129 6.547 -21.078 -12.969 1.00 0.56 H new ATOM 0 HD2 PRO P 129 8.377 -18.682 -12.682 1.00 0.54 H new ATOM 0 HD3 PRO P 129 7.009 -18.891 -13.757 1.00 0.54 H new ATOM 1580 N GLU P 130 7.402 -18.080 -9.046 1.00 0.42 N ATOM 1581 CA GLU P 130 7.696 -17.447 -7.779 1.00 0.38 C ATOM 1582 C GLU P 130 6.504 -16.629 -7.285 1.00 0.35 C ATOM 1583 O GLU P 130 6.054 -16.711 -6.145 1.00 0.34 O ATOM 1584 CB GLU P 130 8.754 -16.356 -8.079 1.00 0.40 C ATOM 1585 CG GLU P 130 10.027 -16.434 -7.250 1.00 0.43 C ATOM 1586 CD GLU P 130 11.207 -16.322 -8.240 1.00 1.25 C ATOM 1587 OE1 GLU P 130 11.557 -15.176 -8.525 1.00 1.87 O ATOM 1588 OE2 GLU P 130 11.617 -17.403 -8.679 1.00 1.98 O ATOM 0 H GLU P 130 8.083 -17.844 -9.768 1.00 0.42 H new ATOM 0 HA GLU P 130 7.984 -18.217 -7.063 1.00 0.38 H new ATOM 0 HB2 GLU P 130 9.023 -16.416 -9.133 1.00 0.40 H new ATOM 0 HB3 GLU P 130 8.298 -15.379 -7.922 1.00 0.40 H new ATOM 0 HG2 GLU P 130 10.060 -15.630 -6.515 1.00 0.43 H new ATOM 0 HG3 GLU P 130 10.073 -17.373 -6.698 1.00 0.43 H new ATOM 1595 N ARG P 131 6.079 -15.732 -8.226 1.00 0.34 N ATOM 1596 CA ARG P 131 5.008 -14.793 -7.963 1.00 0.34 C ATOM 1597 C ARG P 131 3.654 -15.494 -7.863 1.00 0.35 C ATOM 1598 O ARG P 131 2.891 -14.999 -7.036 1.00 0.41 O ATOM 1599 CB ARG P 131 5.011 -13.533 -8.837 1.00 0.35 C ATOM 1600 CG ARG P 131 4.794 -13.620 -10.357 1.00 0.37 C ATOM 1601 CD ARG P 131 3.647 -12.659 -10.717 1.00 0.39 C ATOM 1602 NE ARG P 131 3.360 -12.483 -12.159 1.00 0.43 N ATOM 1603 CZ ARG P 131 2.172 -12.468 -12.802 1.00 1.28 C ATOM 1604 NH1 ARG P 131 0.976 -12.555 -12.164 1.00 2.22 N ATOM 1605 NH2 ARG P 131 2.170 -12.371 -14.160 1.00 1.39 N ATOM 0 H ARG P 131 6.478 -15.661 -9.162 1.00 0.34 H new ATOM 0 HA ARG P 131 5.216 -14.382 -6.975 1.00 0.34 H new ATOM 0 HB2 ARG P 131 4.241 -12.870 -8.443 1.00 0.35 H new ATOM 0 HB3 ARG P 131 5.969 -13.038 -8.680 1.00 0.35 H new ATOM 0 HG2 ARG P 131 5.704 -13.347 -10.890 1.00 0.37 H new ATOM 0 HG3 ARG P 131 4.546 -14.640 -10.651 1.00 0.37 H new ATOM 0 HD2 ARG P 131 2.739 -13.014 -10.229 1.00 0.39 H new ATOM 0 HD3 ARG P 131 3.875 -11.681 -10.293 1.00 0.39 H new ATOM 0 HE ARG P 131 4.179 -12.354 -12.754 1.00 0.43 H new ATOM 0 HH11 ARG P 131 0.945 -12.637 -11.148 1.00 2.22 H new ATOM 0 HH12 ARG P 131 0.109 -12.539 -12.701 1.00 2.22 H new ATOM 0 HH21 ARG P 131 3.052 -12.312 -14.668 1.00 1.39 H new ATOM 0 HH22 ARG P 131 1.286 -12.358 -14.669 1.00 1.39 H new ATOM 1619 N GLU P 132 3.289 -16.646 -8.551 1.00 0.36 N ATOM 1620 CA GLU P 132 1.940 -17.139 -8.272 1.00 0.38 C ATOM 1621 C GLU P 132 2.003 -17.952 -6.972 1.00 0.34 C ATOM 1622 O GLU P 132 0.969 -18.486 -6.582 1.00 0.34 O ATOM 1623 CB GLU P 132 1.357 -18.036 -9.371 1.00 0.43 C ATOM 1624 CG GLU P 132 1.482 -17.843 -10.894 1.00 0.48 C ATOM 1625 CD GLU P 132 0.424 -18.893 -11.340 1.00 0.82 C ATOM 1626 OE1 GLU P 132 0.759 -20.065 -11.140 1.00 1.44 O ATOM 1627 OE2 GLU P 132 -0.642 -18.448 -11.773 1.00 1.51 O ATOM 0 H GLU P 132 3.854 -17.173 -9.217 1.00 0.36 H new ATOM 0 HA GLU P 132 1.287 -16.268 -8.205 1.00 0.38 H new ATOM 0 HB2 GLU P 132 1.756 -19.031 -9.173 1.00 0.43 H new ATOM 0 HB3 GLU P 132 0.286 -18.076 -9.172 1.00 0.43 H new ATOM 0 HG2 GLU P 132 1.236 -16.831 -11.215 1.00 0.48 H new ATOM 0 HG3 GLU P 132 2.482 -18.063 -11.269 1.00 0.48 H new ATOM 1634 N HIS P 133 3.189 -18.071 -6.262 1.00 0.34 N ATOM 1635 CA HIS P 133 3.270 -18.811 -5.015 1.00 0.35 C ATOM 1636 C HIS P 133 2.958 -17.828 -3.899 1.00 0.32 C ATOM 1637 O HIS P 133 2.304 -18.245 -2.955 1.00 0.33 O ATOM 1638 CB HIS P 133 4.664 -19.349 -4.795 1.00 0.37 C ATOM 1639 CG HIS P 133 4.699 -20.670 -4.065 1.00 0.40 C ATOM 1640 ND1 HIS P 133 5.777 -21.568 -4.087 1.00 0.67 N ATOM 1641 CD2 HIS P 133 3.717 -21.156 -3.257 1.00 0.56 C ATOM 1642 CE1 HIS P 133 5.391 -22.545 -3.313 1.00 0.58 C ATOM 1643 NE2 HIS P 133 4.157 -22.369 -2.775 1.00 0.54 N ATOM 0 H HIS P 133 4.072 -17.655 -6.560 1.00 0.34 H new ATOM 0 HA HIS P 133 2.575 -19.651 -5.038 1.00 0.35 H new ATOM 0 HB2 HIS P 133 5.155 -19.465 -5.761 1.00 0.37 H new ATOM 0 HB3 HIS P 133 5.241 -18.617 -4.230 1.00 0.37 H new ATOM 0 HD2 HIS P 133 2.773 -20.681 -3.036 1.00 0.56 H new ATOM 0 HE1 HIS P 133 5.999 -23.416 -3.118 1.00 0.58 H new ATOM 0 HE2 HIS P 133 3.661 -23.001 -2.147 1.00 0.54 H new ATOM 1651 N LEU P 134 3.419 -16.518 -3.945 1.00 0.30 N ATOM 1652 CA LEU P 134 3.069 -15.608 -2.869 1.00 0.28 C ATOM 1653 C LEU P 134 1.562 -15.435 -2.995 1.00 0.26 C ATOM 1654 O LEU P 134 0.848 -15.292 -2.007 1.00 0.27 O ATOM 1655 CB LEU P 134 3.644 -14.177 -2.974 1.00 0.27 C ATOM 1656 CG LEU P 134 3.752 -13.440 -1.662 1.00 0.29 C ATOM 1657 CD1 LEU P 134 4.849 -13.862 -0.694 1.00 0.31 C ATOM 1658 CD2 LEU P 134 3.985 -11.980 -1.980 1.00 0.53 C ATOM 0 H LEU P 134 3.998 -16.123 -4.686 1.00 0.30 H new ATOM 0 HA LEU P 134 3.459 -16.035 -1.945 1.00 0.28 H new ATOM 0 HB2 LEU P 134 4.634 -14.231 -3.427 1.00 0.27 H new ATOM 0 HB3 LEU P 134 3.016 -13.597 -3.650 1.00 0.27 H new ATOM 0 HG LEU P 134 2.820 -13.672 -1.146 1.00 0.29 H new ATOM 0 HD11 LEU P 134 4.801 -13.243 0.202 1.00 0.31 H new ATOM 0 HD12 LEU P 134 4.710 -14.908 -0.421 1.00 0.31 H new ATOM 0 HD13 LEU P 134 5.822 -13.737 -1.170 1.00 0.31 H new ATOM 0 HD21 LEU P 134 4.068 -11.414 -1.052 1.00 0.53 H new ATOM 0 HD22 LEU P 134 4.906 -11.875 -2.553 1.00 0.53 H new ATOM 0 HD23 LEU P 134 3.148 -11.597 -2.564 1.00 0.53 H new ATOM 1670 N ALA P 135 1.058 -15.427 -4.270 1.00 0.26 N ATOM 1671 CA ALA P 135 -0.350 -15.246 -4.484 1.00 0.28 C ATOM 1672 C ALA P 135 -1.003 -16.457 -3.837 1.00 0.30 C ATOM 1673 O ALA P 135 -2.018 -16.287 -3.175 1.00 0.31 O ATOM 1674 CB ALA P 135 -0.725 -15.264 -5.958 1.00 0.30 C ATOM 0 H ALA P 135 1.615 -15.543 -5.117 1.00 0.26 H new ATOM 0 HA ALA P 135 -0.664 -14.284 -4.078 1.00 0.28 H new ATOM 0 HB1 ALA P 135 -1.801 -15.123 -6.061 1.00 0.30 H new ATOM 0 HB2 ALA P 135 -0.202 -14.460 -6.476 1.00 0.30 H new ATOM 0 HB3 ALA P 135 -0.441 -16.222 -6.394 1.00 0.30 H new ATOM 1680 N SER P 136 -0.441 -17.720 -3.951 1.00 0.32 N ATOM 1681 CA SER P 136 -1.229 -18.785 -3.322 1.00 0.35 C ATOM 1682 C SER P 136 -0.994 -18.963 -1.810 1.00 0.33 C ATOM 1683 O SER P 136 -1.766 -19.705 -1.201 1.00 0.36 O ATOM 1684 CB SER P 136 -0.950 -20.112 -4.017 1.00 0.38 C ATOM 1685 OG SER P 136 -1.812 -21.171 -3.641 1.00 0.98 O ATOM 0 H SER P 136 0.433 -17.978 -4.410 1.00 0.32 H new ATOM 0 HA SER P 136 -2.268 -18.475 -3.437 1.00 0.35 H new ATOM 0 HB2 SER P 136 -1.026 -19.965 -5.094 1.00 0.38 H new ATOM 0 HB3 SER P 136 0.078 -20.407 -3.807 1.00 0.38 H new ATOM 0 HG SER P 136 -2.203 -20.978 -2.763 1.00 0.98 H new ATOM 1691 N LEU P 137 0.021 -18.327 -1.120 1.00 0.29 N ATOM 1692 CA LEU P 137 0.223 -18.537 0.299 1.00 0.29 C ATOM 1693 C LEU P 137 -0.800 -17.713 1.086 1.00 0.28 C ATOM 1694 O LEU P 137 -1.406 -18.200 2.035 1.00 0.31 O ATOM 1695 CB LEU P 137 1.581 -17.935 0.714 1.00 0.27 C ATOM 1696 CG LEU P 137 2.881 -18.678 0.402 1.00 0.30 C ATOM 1697 CD1 LEU P 137 4.031 -17.777 0.863 1.00 0.30 C ATOM 1698 CD2 LEU P 137 2.983 -20.050 1.061 1.00 0.36 C ATOM 0 H LEU P 137 0.684 -17.681 -1.549 1.00 0.29 H new ATOM 0 HA LEU P 137 0.150 -19.607 0.495 1.00 0.29 H new ATOM 0 HB2 LEU P 137 1.653 -16.951 0.251 1.00 0.27 H new ATOM 0 HB3 LEU P 137 1.549 -17.779 1.792 1.00 0.27 H new ATOM 0 HG LEU P 137 2.918 -18.877 -0.669 1.00 0.30 H new ATOM 0 HD11 LEU P 137 4.982 -18.268 0.659 1.00 0.30 H new ATOM 0 HD12 LEU P 137 3.989 -16.830 0.325 1.00 0.30 H new ATOM 0 HD13 LEU P 137 3.941 -17.591 1.933 1.00 0.30 H new ATOM 0 HD21 LEU P 137 3.932 -20.513 0.792 1.00 0.36 H new ATOM 0 HD22 LEU P 137 2.928 -19.939 2.144 1.00 0.36 H new ATOM 0 HD23 LEU P 137 2.162 -20.680 0.719 1.00 0.36 H new ATOM 1710 N ILE P 138 -0.941 -16.414 0.664 1.00 0.24 N ATOM 1711 CA ILE P 138 -1.790 -15.441 1.329 1.00 0.23 C ATOM 1712 C ILE P 138 -3.211 -15.489 0.783 1.00 0.26 C ATOM 1713 O ILE P 138 -4.148 -14.989 1.406 1.00 0.28 O ATOM 1714 CB ILE P 138 -1.160 -14.037 1.350 1.00 0.19 C ATOM 1715 CG1 ILE P 138 -1.322 -13.130 0.080 1.00 0.20 C ATOM 1716 CG2 ILE P 138 0.295 -14.177 1.790 1.00 0.17 C ATOM 1717 CD1 ILE P 138 -0.163 -12.165 -0.247 1.00 0.17 C ATOM 0 H ILE P 138 -0.456 -16.040 -0.151 1.00 0.24 H new ATOM 0 HA ILE P 138 -1.870 -15.717 2.380 1.00 0.23 H new ATOM 0 HB ILE P 138 -1.750 -13.466 2.067 1.00 0.19 H new ATOM 0 HG12 ILE P 138 -1.475 -13.779 -0.782 1.00 0.20 H new ATOM 0 HG13 ILE P 138 -2.230 -12.540 0.200 1.00 0.20 H new ATOM 0 HG21 ILE P 138 0.764 -13.194 1.813 1.00 0.17 H new ATOM 0 HG22 ILE P 138 0.333 -14.621 2.785 1.00 0.17 H new ATOM 0 HG23 ILE P 138 0.828 -14.817 1.087 1.00 0.17 H new ATOM 0 HD11 ILE P 138 -0.404 -11.599 -1.147 1.00 0.17 H new ATOM 0 HD12 ILE P 138 -0.016 -11.477 0.586 1.00 0.17 H new ATOM 0 HD13 ILE P 138 0.751 -12.736 -0.411 1.00 0.17 H new ATOM 1729 N ARG P 139 -3.393 -16.119 -0.419 1.00 0.29 N ATOM 1730 CA ARG P 139 -4.667 -16.300 -1.060 1.00 0.35 C ATOM 1731 C ARG P 139 -5.139 -15.136 -1.920 1.00 0.34 C ATOM 1732 O ARG P 139 -6.322 -15.018 -2.238 1.00 0.38 O ATOM 1733 CB ARG P 139 -5.640 -16.802 -0.020 1.00 0.38 C ATOM 1734 CG ARG P 139 -6.975 -17.420 -0.453 1.00 1.23 C ATOM 1735 CD ARG P 139 -6.817 -18.495 -1.526 1.00 1.79 C ATOM 1736 NE ARG P 139 -8.140 -19.030 -1.835 1.00 2.45 N ATOM 1737 CZ ARG P 139 -8.433 -20.000 -2.727 1.00 2.91 C ATOM 1738 NH1 ARG P 139 -7.476 -20.616 -3.476 1.00 3.19 N ATOM 1739 NH2 ARG P 139 -9.729 -20.381 -2.891 1.00 3.57 N ATOM 0 H ARG P 139 -2.618 -16.512 -0.954 1.00 0.29 H new ATOM 0 HA ARG P 139 -4.574 -17.060 -1.836 1.00 0.35 H new ATOM 0 HB2 ARG P 139 -5.117 -17.547 0.580 1.00 0.38 H new ATOM 0 HB3 ARG P 139 -5.869 -15.965 0.640 1.00 0.38 H new ATOM 0 HG2 ARG P 139 -7.467 -17.854 0.418 1.00 1.23 H new ATOM 0 HG3 ARG P 139 -7.628 -16.633 -0.829 1.00 1.23 H new ATOM 0 HD2 ARG P 139 -6.359 -18.074 -2.421 1.00 1.79 H new ATOM 0 HD3 ARG P 139 -6.159 -19.289 -1.174 1.00 1.79 H new ATOM 0 HE ARG P 139 -8.926 -18.629 -1.323 1.00 2.45 H new ATOM 0 HH11 ARG P 139 -6.497 -20.348 -3.373 1.00 3.19 H new ATOM 0 HH12 ARG P 139 -7.738 -21.345 -4.140 1.00 3.19 H new ATOM 0 HH21 ARG P 139 -10.465 -19.935 -2.343 1.00 3.57 H new ATOM 0 HH22 ARG P 139 -9.965 -21.113 -3.562 1.00 3.57 H new ATOM 1753 N LEU P 140 -4.169 -14.289 -2.391 1.00 0.31 N ATOM 1754 CA LEU P 140 -4.589 -13.209 -3.287 1.00 0.31 C ATOM 1755 C LEU P 140 -4.443 -13.943 -4.624 1.00 0.33 C ATOM 1756 O LEU P 140 -3.961 -15.069 -4.566 1.00 0.35 O ATOM 1757 CB LEU P 140 -3.732 -11.930 -3.270 1.00 0.29 C ATOM 1758 CG LEU P 140 -3.870 -11.037 -2.022 1.00 0.27 C ATOM 1759 CD1 LEU P 140 -2.741 -10.013 -1.897 1.00 0.24 C ATOM 1760 CD2 LEU P 140 -5.153 -10.211 -2.027 1.00 0.31 C ATOM 0 H LEU P 140 -3.173 -14.338 -2.176 1.00 0.31 H new ATOM 0 HA LEU P 140 -5.568 -12.807 -3.026 1.00 0.31 H new ATOM 0 HB2 LEU P 140 -2.685 -12.217 -3.372 1.00 0.29 H new ATOM 0 HB3 LEU P 140 -3.986 -11.335 -4.147 1.00 0.29 H new ATOM 0 HG LEU P 140 -3.855 -11.749 -1.197 1.00 0.27 H new ATOM 0 HD11 LEU P 140 -2.892 -9.413 -1.000 1.00 0.24 H new ATOM 0 HD12 LEU P 140 -1.785 -10.532 -1.830 1.00 0.24 H new ATOM 0 HD13 LEU P 140 -2.741 -9.363 -2.772 1.00 0.24 H new ATOM 0 HD21 LEU P 140 -5.197 -9.601 -1.124 1.00 0.31 H new ATOM 0 HD22 LEU P 140 -5.165 -9.563 -2.903 1.00 0.31 H new ATOM 0 HD23 LEU P 140 -6.015 -10.878 -2.057 1.00 0.31 H new ATOM 1772 N THR P 141 -4.857 -13.359 -5.803 1.00 0.35 N ATOM 1773 CA THR P 141 -4.718 -14.062 -7.076 1.00 0.37 C ATOM 1774 C THR P 141 -3.350 -13.600 -7.584 1.00 0.36 C ATOM 1775 O THR P 141 -2.780 -12.717 -6.951 1.00 0.35 O ATOM 1776 CB THR P 141 -5.888 -13.785 -8.026 1.00 0.43 C ATOM 1777 OG1 THR P 141 -6.165 -12.401 -8.163 1.00 0.44 O ATOM 1778 CG2 THR P 141 -7.118 -14.597 -7.595 1.00 0.48 C ATOM 0 H THR P 141 -5.274 -12.431 -5.870 1.00 0.35 H new ATOM 0 HA THR P 141 -4.757 -15.148 -6.985 1.00 0.37 H new ATOM 0 HB THR P 141 -5.599 -14.116 -9.024 1.00 0.43 H new ATOM 0 HG1 THR P 141 -6.917 -12.277 -8.779 1.00 0.44 H new ATOM 0 HG21 THR P 141 -7.945 -14.394 -8.276 1.00 0.48 H new ATOM 0 HG22 THR P 141 -6.879 -15.660 -7.621 1.00 0.48 H new ATOM 0 HG23 THR P 141 -7.404 -14.314 -6.582 1.00 0.48 H new ATOM 1786 N PRO P 142 -2.817 -14.178 -8.722 1.00 0.40 N ATOM 1787 CA PRO P 142 -1.503 -13.811 -9.241 1.00 0.36 C ATOM 1788 C PRO P 142 -1.507 -12.397 -9.789 1.00 0.36 C ATOM 1789 O PRO P 142 -0.557 -11.678 -9.505 1.00 0.35 O ATOM 1790 CB PRO P 142 -1.104 -14.778 -10.374 1.00 0.40 C ATOM 1791 CG PRO P 142 -2.086 -15.928 -10.167 1.00 0.70 C ATOM 1792 CD PRO P 142 -3.278 -15.384 -9.391 1.00 0.50 C ATOM 0 HA PRO P 142 -0.789 -13.871 -8.420 1.00 0.36 H new ATOM 0 HB2 PRO P 142 -1.212 -14.321 -11.358 1.00 0.40 H new ATOM 0 HB3 PRO P 142 -0.068 -15.105 -10.286 1.00 0.40 H new ATOM 0 HG2 PRO P 142 -2.407 -16.334 -11.126 1.00 0.70 H new ATOM 0 HG3 PRO P 142 -1.612 -16.742 -9.619 1.00 0.70 H new ATOM 0 HD2 PRO P 142 -4.109 -15.163 -10.061 1.00 0.50 H new ATOM 0 HD3 PRO P 142 -3.637 -16.116 -8.668 1.00 0.50 H new ATOM 1800 N THR P 143 -2.529 -11.960 -10.610 1.00 0.38 N ATOM 1801 CA THR P 143 -2.395 -10.572 -11.054 1.00 0.38 C ATOM 1802 C THR P 143 -2.564 -9.640 -9.835 1.00 0.37 C ATOM 1803 O THR P 143 -2.139 -8.493 -9.966 1.00 0.46 O ATOM 1804 CB THR P 143 -3.331 -10.240 -12.212 1.00 0.41 C ATOM 1805 OG1 THR P 143 -3.254 -11.380 -13.053 1.00 0.51 O ATOM 1806 CG2 THR P 143 -2.927 -8.966 -12.966 1.00 0.52 C ATOM 0 H THR P 143 -3.342 -12.487 -10.929 1.00 0.38 H new ATOM 0 HA THR P 143 -1.397 -10.416 -11.463 1.00 0.38 H new ATOM 0 HB THR P 143 -4.341 -10.033 -11.859 1.00 0.41 H new ATOM 0 HG1 THR P 143 -3.834 -11.251 -13.832 1.00 0.51 H new ATOM 0 HG21 THR P 143 -3.632 -8.784 -13.777 1.00 0.52 H new ATOM 0 HG22 THR P 143 -2.937 -8.119 -12.280 1.00 0.52 H new ATOM 0 HG23 THR P 143 -1.925 -9.089 -13.377 1.00 0.52 H new ATOM 1814 N GLN P 144 -3.113 -10.030 -8.618 1.00 0.32 N ATOM 1815 CA GLN P 144 -3.147 -8.993 -7.580 1.00 0.30 C ATOM 1816 C GLN P 144 -1.667 -8.869 -7.084 1.00 0.25 C ATOM 1817 O GLN P 144 -1.282 -7.746 -6.770 1.00 0.24 O ATOM 1818 CB GLN P 144 -4.191 -9.104 -6.436 1.00 0.32 C ATOM 1819 CG GLN P 144 -5.634 -9.226 -6.949 1.00 0.36 C ATOM 1820 CD GLN P 144 -6.588 -9.374 -5.775 1.00 0.38 C ATOM 1821 OE1 GLN P 144 -6.705 -10.496 -5.288 1.00 0.38 O ATOM 1822 NE2 GLN P 144 -7.308 -8.284 -5.313 1.00 0.38 N ATOM 0 H GLN P 144 -3.488 -10.947 -8.377 1.00 0.32 H new ATOM 0 HA GLN P 144 -3.534 -8.080 -8.032 1.00 0.30 H new ATOM 0 HB2 GLN P 144 -3.956 -9.972 -5.820 1.00 0.32 H new ATOM 0 HB3 GLN P 144 -4.113 -8.227 -5.794 1.00 0.32 H new ATOM 0 HG2 GLN P 144 -5.897 -8.345 -7.534 1.00 0.36 H new ATOM 0 HG3 GLN P 144 -5.722 -10.087 -7.612 1.00 0.36 H new ATOM 0 HE21 GLN P 144 -7.181 -7.369 -5.745 1.00 0.38 H new ATOM 0 HE22 GLN P 144 -7.965 -8.397 -4.541 1.00 0.38 H new ATOM 1831 N VAL P 145 -0.767 -9.952 -7.070 1.00 0.25 N ATOM 1832 CA VAL P 145 0.616 -9.785 -6.608 1.00 0.23 C ATOM 1833 C VAL P 145 1.393 -8.970 -7.671 1.00 0.21 C ATOM 1834 O VAL P 145 1.890 -7.921 -7.300 1.00 0.21 O ATOM 1835 CB VAL P 145 1.390 -11.099 -6.350 1.00 0.25 C ATOM 1836 CG1 VAL P 145 2.919 -10.960 -6.303 1.00 0.23 C ATOM 1837 CG2 VAL P 145 1.055 -11.747 -5.003 1.00 0.27 C ATOM 0 H VAL P 145 -1.004 -10.898 -7.370 1.00 0.25 H new ATOM 0 HA VAL P 145 0.547 -9.280 -5.644 1.00 0.23 H new ATOM 0 HB VAL P 145 1.072 -11.694 -7.206 1.00 0.25 H new ATOM 0 HG11 VAL P 145 3.368 -11.936 -6.117 1.00 0.23 H new ATOM 0 HG12 VAL P 145 3.278 -10.571 -7.256 1.00 0.23 H new ATOM 0 HG13 VAL P 145 3.198 -10.274 -5.503 1.00 0.23 H new ATOM 0 HG21 VAL P 145 1.633 -12.664 -4.887 1.00 0.27 H new ATOM 0 HG22 VAL P 145 1.303 -11.057 -4.196 1.00 0.27 H new ATOM 0 HG23 VAL P 145 -0.009 -11.981 -4.967 1.00 0.27 H new ATOM 1847 N LYS P 146 1.556 -9.463 -8.957 1.00 0.23 N ATOM 1848 CA LYS P 146 2.263 -8.810 -10.077 1.00 0.24 C ATOM 1849 C LYS P 146 1.982 -7.308 -10.060 1.00 0.25 C ATOM 1850 O LYS P 146 2.957 -6.582 -10.222 1.00 0.28 O ATOM 1851 CB LYS P 146 1.908 -9.471 -11.413 1.00 0.31 C ATOM 1852 CG LYS P 146 3.046 -9.347 -12.440 1.00 0.35 C ATOM 1853 CD LYS P 146 3.119 -8.065 -13.284 1.00 0.40 C ATOM 1854 CE LYS P 146 1.751 -7.904 -13.950 1.00 0.38 C ATOM 1855 NZ LYS P 146 1.781 -7.281 -15.321 1.00 0.49 N ATOM 0 H LYS P 146 1.172 -10.368 -9.228 1.00 0.23 H new ATOM 0 HA LYS P 146 3.338 -8.941 -9.954 1.00 0.24 H new ATOM 0 HB2 LYS P 146 1.683 -10.525 -11.247 1.00 0.31 H new ATOM 0 HB3 LYS P 146 1.005 -9.012 -11.816 1.00 0.31 H new ATOM 0 HG2 LYS P 146 3.991 -9.449 -11.906 1.00 0.35 H new ATOM 0 HG3 LYS P 146 2.973 -10.193 -13.123 1.00 0.35 H new ATOM 0 HD2 LYS P 146 3.350 -7.202 -12.659 1.00 0.40 H new ATOM 0 HD3 LYS P 146 3.908 -8.138 -14.032 1.00 0.40 H new ATOM 0 HE2 LYS P 146 1.281 -8.885 -14.023 1.00 0.38 H new ATOM 0 HE3 LYS P 146 1.118 -7.295 -13.304 1.00 0.38 H new ATOM 0 HZ1 LYS P 146 1.278 -6.371 -15.300 1.00 0.49 H new ATOM 0 HZ2 LYS P 146 2.768 -7.125 -15.610 1.00 0.49 H new ATOM 0 HZ3 LYS P 146 1.318 -7.917 -16.001 1.00 0.49 H new ATOM 1869 N ILE P 147 0.727 -6.802 -9.819 1.00 0.24 N ATOM 1870 CA ILE P 147 0.465 -5.363 -9.846 1.00 0.27 C ATOM 1871 C ILE P 147 1.062 -4.651 -8.627 1.00 0.28 C ATOM 1872 O ILE P 147 1.621 -3.583 -8.859 1.00 0.43 O ATOM 1873 CB ILE P 147 -1.030 -5.036 -10.004 1.00 0.35 C ATOM 1874 CG1 ILE P 147 -1.543 -5.338 -11.430 1.00 0.53 C ATOM 1875 CG2 ILE P 147 -1.394 -3.612 -9.572 1.00 0.50 C ATOM 1876 CD1 ILE P 147 -0.799 -4.660 -12.586 1.00 0.66 C ATOM 0 H ILE P 147 -0.089 -7.376 -9.610 1.00 0.24 H new ATOM 0 HA ILE P 147 0.968 -4.980 -10.734 1.00 0.27 H new ATOM 0 HB ILE P 147 -1.545 -5.704 -9.314 1.00 0.35 H new ATOM 0 HG12 ILE P 147 -1.503 -6.416 -11.585 1.00 0.53 H new ATOM 0 HG13 ILE P 147 -2.592 -5.047 -11.483 1.00 0.53 H new ATOM 0 HG21 ILE P 147 -2.463 -3.452 -9.711 1.00 0.50 H new ATOM 0 HG22 ILE P 147 -1.140 -3.474 -8.521 1.00 0.50 H new ATOM 0 HG23 ILE P 147 -0.838 -2.895 -10.176 1.00 0.50 H new ATOM 0 HD11 ILE P 147 -1.254 -4.952 -13.532 1.00 0.66 H new ATOM 0 HD12 ILE P 147 -0.860 -3.578 -12.473 1.00 0.66 H new ATOM 0 HD13 ILE P 147 0.247 -4.968 -12.576 1.00 0.66 H new ATOM 1888 N TRP P 148 0.988 -5.142 -7.340 1.00 0.24 N ATOM 1889 CA TRP P 148 1.639 -4.408 -6.254 1.00 0.23 C ATOM 1890 C TRP P 148 3.143 -4.359 -6.600 1.00 0.21 C ATOM 1891 O TRP P 148 3.806 -3.431 -6.148 1.00 0.21 O ATOM 1892 CB TRP P 148 1.432 -5.159 -4.945 1.00 0.23 C ATOM 1893 CG TRP P 148 1.691 -4.553 -3.606 1.00 0.22 C ATOM 1894 CD1 TRP P 148 0.815 -4.135 -2.667 1.00 0.24 C ATOM 1895 CD2 TRP P 148 3.063 -4.397 -2.985 1.00 0.20 C ATOM 1896 NE1 TRP P 148 1.478 -3.719 -1.540 1.00 0.24 N ATOM 1897 CE2 TRP P 148 2.839 -3.832 -1.713 1.00 0.22 C ATOM 1898 CE3 TRP P 148 4.344 -4.744 -3.355 1.00 0.19 C ATOM 1899 CZ2 TRP P 148 3.856 -3.489 -0.832 1.00 0.25 C ATOM 1900 CZ3 TRP P 148 5.388 -4.352 -2.514 1.00 0.22 C ATOM 1901 CH2 TRP P 148 5.154 -3.687 -1.303 1.00 0.24 C ATOM 0 H TRP P 148 0.506 -5.998 -7.065 1.00 0.24 H new ATOM 0 HA TRP P 148 1.229 -3.404 -6.143 1.00 0.23 H new ATOM 0 HB2 TRP P 148 0.393 -5.488 -4.939 1.00 0.23 H new ATOM 0 HB3 TRP P 148 2.050 -6.055 -5.003 1.00 0.23 H new ATOM 0 HD1 TRP P 148 -0.258 -4.129 -2.787 1.00 0.24 H new ATOM 0 HE1 TRP P 148 1.026 -3.374 -0.693 1.00 0.24 H new ATOM 0 HE3 TRP P 148 4.534 -5.299 -4.262 1.00 0.19 H new ATOM 0 HZ2 TRP P 148 3.655 -3.095 0.153 1.00 0.25 H new ATOM 0 HZ3 TRP P 148 6.405 -4.568 -2.806 1.00 0.22 H new ATOM 0 HH2 TRP P 148 5.991 -3.322 -0.726 1.00 0.24 H new ATOM 1912 N PHE P 149 3.713 -5.319 -7.433 1.00 0.20 N ATOM 1913 CA PHE P 149 5.148 -5.302 -7.743 1.00 0.19 C ATOM 1914 C PHE P 149 5.401 -4.121 -8.685 1.00 0.20 C ATOM 1915 O PHE P 149 6.293 -3.335 -8.382 1.00 0.21 O ATOM 1916 CB PHE P 149 5.812 -6.599 -8.261 1.00 0.18 C ATOM 1917 CG PHE P 149 6.120 -7.467 -7.049 1.00 0.17 C ATOM 1918 CD1 PHE P 149 5.093 -7.888 -6.191 1.00 1.22 C ATOM 1919 CD2 PHE P 149 7.428 -7.826 -6.718 1.00 1.23 C ATOM 1920 CE1 PHE P 149 5.385 -8.449 -4.963 1.00 1.21 C ATOM 1921 CE2 PHE P 149 7.718 -8.410 -5.488 1.00 1.24 C ATOM 1922 CZ PHE P 149 6.695 -8.657 -4.572 1.00 0.15 C ATOM 0 H PHE P 149 3.192 -6.078 -7.873 1.00 0.20 H new ATOM 0 HA PHE P 149 5.647 -5.199 -6.780 1.00 0.19 H new ATOM 0 HB2 PHE P 149 5.148 -7.122 -8.949 1.00 0.18 H new ATOM 0 HB3 PHE P 149 6.725 -6.370 -8.811 1.00 0.18 H new ATOM 0 HD1 PHE P 149 4.063 -7.772 -6.494 1.00 1.22 H new ATOM 0 HD2 PHE P 149 8.225 -7.648 -7.425 1.00 1.23 H new ATOM 0 HE1 PHE P 149 4.580 -8.729 -4.300 1.00 1.21 H new ATOM 0 HE2 PHE P 149 8.736 -8.672 -5.242 1.00 1.24 H new ATOM 0 HZ PHE P 149 6.922 -9.005 -3.575 1.00 0.15 H new ATOM 1932 N GLN P 150 4.638 -3.956 -9.825 1.00 0.22 N ATOM 1933 CA GLN P 150 4.837 -2.840 -10.729 1.00 0.26 C ATOM 1934 C GLN P 150 4.805 -1.548 -9.876 1.00 0.25 C ATOM 1935 O GLN P 150 5.653 -0.681 -10.081 1.00 0.25 O ATOM 1936 CB GLN P 150 3.685 -2.839 -11.752 1.00 0.32 C ATOM 1937 CG GLN P 150 3.695 -4.079 -12.670 1.00 0.37 C ATOM 1938 CD GLN P 150 2.977 -3.805 -13.975 1.00 0.56 C ATOM 1939 OE1 GLN P 150 1.795 -3.484 -14.011 1.00 0.59 O ATOM 1940 NE2 GLN P 150 3.788 -3.964 -15.086 1.00 1.45 N ATOM 0 H GLN P 150 3.895 -4.595 -10.107 1.00 0.22 H new ATOM 0 HA GLN P 150 5.785 -2.908 -11.263 1.00 0.26 H new ATOM 0 HB2 GLN P 150 2.734 -2.794 -11.221 1.00 0.32 H new ATOM 0 HB3 GLN P 150 3.751 -1.940 -12.364 1.00 0.32 H new ATOM 0 HG2 GLN P 150 4.724 -4.374 -12.874 1.00 0.37 H new ATOM 0 HG3 GLN P 150 3.218 -4.916 -12.159 1.00 0.37 H new ATOM 0 HE21 GLN P 150 4.765 -4.234 -14.970 1.00 1.45 H new ATOM 0 HE22 GLN P 150 3.409 -3.811 -16.020 1.00 1.45 H new ATOM 1949 N ASN P 151 3.868 -1.428 -8.859 1.00 0.25 N ATOM 1950 CA ASN P 151 3.778 -0.209 -8.075 1.00 0.26 C ATOM 1951 C ASN P 151 5.067 0.034 -7.271 1.00 0.26 C ATOM 1952 O ASN P 151 5.515 1.171 -7.397 1.00 0.31 O ATOM 1953 CB ASN P 151 2.523 -0.042 -7.186 1.00 0.27 C ATOM 1954 CG ASN P 151 1.413 0.673 -7.956 1.00 0.55 C ATOM 1955 OD1 ASN P 151 1.640 1.857 -8.208 1.00 1.42 O ATOM 1956 ND2 ASN P 151 0.215 0.080 -8.347 1.00 0.37 N ATOM 0 H ASN P 151 3.202 -2.156 -8.599 1.00 0.25 H new ATOM 0 HA ASN P 151 3.658 0.568 -8.830 1.00 0.26 H new ATOM 0 HB2 ASN P 151 2.172 -1.019 -6.854 1.00 0.27 H new ATOM 0 HB3 ASN P 151 2.777 0.526 -6.291 1.00 0.27 H new ATOM 0 HD21 ASN P 151 -0.485 0.627 -8.848 1.00 0.37 H new ATOM 0 HD22 ASN P 151 0.038 -0.901 -8.133 1.00 0.37 H new ATOM 1963 N HIS P 152 5.748 -0.886 -6.485 1.00 0.23 N ATOM 1964 CA HIS P 152 6.927 -0.367 -5.792 1.00 0.23 C ATOM 1965 C HIS P 152 8.045 -0.030 -6.780 1.00 0.25 C ATOM 1966 O HIS P 152 8.810 0.843 -6.383 1.00 0.32 O ATOM 1967 CB HIS P 152 7.572 -1.308 -4.780 1.00 0.25 C ATOM 1968 CG HIS P 152 8.267 -0.548 -3.681 1.00 0.54 C ATOM 1969 ND1 HIS P 152 7.896 0.742 -3.293 1.00 1.30 N ATOM 1970 CD2 HIS P 152 9.303 -0.982 -2.906 1.00 0.43 C ATOM 1971 CE1 HIS P 152 8.710 1.025 -2.312 1.00 1.40 C ATOM 1972 NE2 HIS P 152 9.590 0.031 -2.020 1.00 0.80 N ATOM 0 H HIS P 152 5.515 -1.869 -6.344 1.00 0.23 H new ATOM 0 HA HIS P 152 6.526 0.499 -5.266 1.00 0.23 H new ATOM 0 HB2 HIS P 152 6.810 -1.957 -4.349 1.00 0.25 H new ATOM 0 HB3 HIS P 152 8.290 -1.953 -5.288 1.00 0.25 H new ATOM 0 HD2 HIS P 152 9.802 -1.937 -2.975 1.00 0.43 H new ATOM 0 HE1 HIS P 152 8.686 1.965 -1.780 1.00 1.40 H new ATOM 0 HE2 HIS P 152 10.310 0.035 -1.298 1.00 0.80 H new ATOM 1980 N ARG P 153 8.233 -0.575 -8.044 1.00 0.24 N ATOM 1981 CA ARG P 153 9.425 -0.070 -8.733 1.00 0.25 C ATOM 1982 C ARG P 153 9.234 1.399 -9.176 1.00 0.28 C ATOM 1983 O ARG P 153 10.201 2.150 -9.055 1.00 0.32 O ATOM 1984 CB ARG P 153 9.925 -0.973 -9.881 1.00 0.27 C ATOM 1985 CG ARG P 153 8.824 -1.623 -10.727 1.00 0.50 C ATOM 1986 CD ARG P 153 9.356 -2.665 -11.758 1.00 0.39 C ATOM 1987 NE ARG P 153 9.244 -4.104 -11.441 1.00 0.27 N ATOM 1988 CZ ARG P 153 8.940 -5.111 -12.296 1.00 0.57 C ATOM 1989 NH1 ARG P 153 8.682 -4.928 -13.619 1.00 0.82 N ATOM 1990 NH2 ARG P 153 8.873 -6.381 -11.808 1.00 0.77 N ATOM 0 H ARG P 153 7.653 -1.262 -8.525 1.00 0.24 H new ATOM 0 HA ARG P 153 10.229 -0.097 -7.997 1.00 0.25 H new ATOM 0 HB2 ARG P 153 10.563 -0.380 -10.537 1.00 0.27 H new ATOM 0 HB3 ARG P 153 10.548 -1.761 -9.457 1.00 0.27 H new ATOM 0 HG2 ARG P 153 8.111 -2.113 -10.064 1.00 0.50 H new ATOM 0 HG3 ARG P 153 8.280 -0.843 -11.260 1.00 0.50 H new ATOM 0 HD2 ARG P 153 8.834 -2.493 -12.699 1.00 0.39 H new ATOM 0 HD3 ARG P 153 10.410 -2.447 -11.933 1.00 0.39 H new ATOM 0 HE ARG P 153 9.414 -4.369 -10.471 1.00 0.27 H new ATOM 0 HH11 ARG P 153 8.712 -3.990 -14.019 1.00 0.82 H new ATOM 0 HH12 ARG P 153 8.459 -5.728 -14.211 1.00 0.82 H new ATOM 0 HH21 ARG P 153 9.050 -6.557 -10.819 1.00 0.77 H new ATOM 0 HH22 ARG P 153 8.646 -7.156 -12.432 1.00 0.77 H new ATOM 2004 N TYR P 154 8.026 1.871 -9.663 1.00 0.31 N ATOM 2005 CA TYR P 154 7.932 3.283 -10.068 1.00 0.36 C ATOM 2006 C TYR P 154 8.003 4.195 -8.825 1.00 0.29 C ATOM 2007 O TYR P 154 8.518 5.306 -8.932 1.00 0.30 O ATOM 2008 CB TYR P 154 6.654 3.705 -10.850 1.00 0.47 C ATOM 2009 CG TYR P 154 6.565 5.196 -11.142 1.00 0.51 C ATOM 2010 CD1 TYR P 154 7.442 5.813 -12.028 1.00 1.36 C ATOM 2011 CD2 TYR P 154 5.626 5.994 -10.492 1.00 1.26 C ATOM 2012 CE1 TYR P 154 7.409 7.185 -12.239 1.00 1.39 C ATOM 2013 CE2 TYR P 154 5.570 7.367 -10.694 1.00 1.28 C ATOM 2014 CZ TYR P 154 6.482 7.977 -11.557 1.00 0.62 C ATOM 2015 OH TYR P 154 6.513 9.328 -11.773 1.00 0.71 O ATOM 0 H TYR P 154 7.174 1.320 -9.770 1.00 0.31 H new ATOM 0 HA TYR P 154 8.773 3.398 -10.752 1.00 0.36 H new ATOM 0 HB2 TYR P 154 6.622 3.159 -11.793 1.00 0.47 H new ATOM 0 HB3 TYR P 154 5.776 3.405 -10.278 1.00 0.47 H new ATOM 0 HD1 TYR P 154 8.163 5.213 -12.563 1.00 1.36 H new ATOM 0 HD2 TYR P 154 4.923 5.533 -9.813 1.00 1.26 H new ATOM 0 HE1 TYR P 154 8.101 7.641 -12.932 1.00 1.39 H new ATOM 0 HE2 TYR P 154 4.824 7.960 -10.186 1.00 1.28 H new ATOM 0 HH TYR P 154 6.263 9.517 -12.702 1.00 0.71 H new ATOM 2025 N LYS P 155 7.467 3.783 -7.623 1.00 0.28 N ATOM 2026 CA LYS P 155 7.482 4.611 -6.434 1.00 0.31 C ATOM 2027 C LYS P 155 8.838 4.700 -5.712 1.00 0.29 C ATOM 2028 O LYS P 155 9.044 5.659 -4.969 1.00 0.38 O ATOM 2029 CB LYS P 155 6.750 3.729 -5.425 1.00 0.38 C ATOM 2030 CG LYS P 155 5.248 3.578 -5.249 1.00 1.13 C ATOM 2031 CD LYS P 155 5.061 2.801 -3.931 1.00 1.07 C ATOM 2032 CE LYS P 155 3.742 2.040 -3.952 1.00 0.98 C ATOM 2033 NZ LYS P 155 3.211 1.762 -2.565 1.00 1.20 N ATOM 0 H LYS P 155 7.026 2.873 -7.488 1.00 0.28 H new ATOM 0 HA LYS P 155 7.126 5.602 -6.715 1.00 0.31 H new ATOM 0 HB2 LYS P 155 7.121 2.720 -5.603 1.00 0.38 H new ATOM 0 HB3 LYS P 155 7.124 4.038 -4.449 1.00 0.38 H new ATOM 0 HG2 LYS P 155 4.759 4.551 -5.203 1.00 1.13 H new ATOM 0 HG3 LYS P 155 4.807 3.039 -6.088 1.00 1.13 H new ATOM 0 HD2 LYS P 155 5.888 2.106 -3.790 1.00 1.07 H new ATOM 0 HD3 LYS P 155 5.078 3.491 -3.088 1.00 1.07 H new ATOM 0 HE2 LYS P 155 3.004 2.615 -4.511 1.00 0.98 H new ATOM 0 HE3 LYS P 155 3.879 1.097 -4.481 1.00 0.98 H new ATOM 0 HZ1 LYS P 155 2.313 1.243 -2.635 1.00 1.20 H new ATOM 0 HZ2 LYS P 155 3.901 1.191 -2.037 1.00 1.20 H new ATOM 0 HZ3 LYS P 155 3.053 2.661 -2.067 1.00 1.20 H new ATOM 2047 N THR P 156 9.754 3.675 -5.831 1.00 0.27 N ATOM 2048 CA THR P 156 10.991 3.732 -5.065 1.00 0.29 C ATOM 2049 C THR P 156 11.999 4.582 -5.770 1.00 0.31 C ATOM 2050 O THR P 156 12.773 5.310 -5.153 1.00 0.35 O ATOM 2051 CB THR P 156 11.616 2.361 -4.797 1.00 0.32 C ATOM 2052 OG1 THR P 156 12.678 2.484 -3.859 1.00 0.37 O ATOM 2053 CG2 THR P 156 11.978 1.423 -5.956 1.00 0.32 C ATOM 0 H THR P 156 9.642 2.853 -6.425 1.00 0.27 H new ATOM 0 HA THR P 156 10.718 4.162 -4.101 1.00 0.29 H new ATOM 0 HB THR P 156 10.765 1.811 -4.395 1.00 0.32 H new ATOM 0 HG1 THR P 156 13.071 1.602 -3.692 1.00 0.37 H new ATOM 0 HG21 THR P 156 12.408 0.503 -5.559 1.00 0.32 H new ATOM 0 HG22 THR P 156 11.080 1.187 -6.527 1.00 0.32 H new ATOM 0 HG23 THR P 156 12.704 1.911 -6.606 1.00 0.32 H new ATOM 2061 N LYS P 157 12.014 4.459 -7.133 1.00 0.31 N ATOM 2062 CA LYS P 157 12.962 5.199 -7.918 1.00 0.36 C ATOM 2063 C LYS P 157 12.552 6.650 -8.013 1.00 0.38 C ATOM 2064 O LYS P 157 13.380 7.554 -7.951 1.00 0.42 O ATOM 2065 CB LYS P 157 12.943 4.540 -9.273 1.00 0.41 C ATOM 2066 CG LYS P 157 13.122 3.028 -9.065 1.00 0.44 C ATOM 2067 CD LYS P 157 14.568 2.622 -8.803 1.00 1.24 C ATOM 2068 CE LYS P 157 15.047 2.384 -10.225 1.00 1.46 C ATOM 2069 NZ LYS P 157 16.519 2.158 -10.422 1.00 2.27 N ATOM 0 H LYS P 157 11.384 3.862 -7.668 1.00 0.31 H new ATOM 0 HA LYS P 157 13.960 5.191 -7.479 1.00 0.36 H new ATOM 0 HB2 LYS P 157 12.003 4.746 -9.784 1.00 0.41 H new ATOM 0 HB3 LYS P 157 13.741 4.936 -9.901 1.00 0.41 H new ATOM 0 HG2 LYS P 157 12.504 2.708 -8.226 1.00 0.44 H new ATOM 0 HG3 LYS P 157 12.758 2.501 -9.947 1.00 0.44 H new ATOM 0 HD2 LYS P 157 15.135 3.406 -8.300 1.00 1.24 H new ATOM 0 HD3 LYS P 157 14.643 1.727 -8.185 1.00 1.24 H new ATOM 0 HE2 LYS P 157 14.516 1.518 -10.620 1.00 1.46 H new ATOM 0 HE3 LYS P 157 14.753 3.242 -10.829 1.00 1.46 H new ATOM 0 HZ1 LYS P 157 16.715 2.009 -11.432 1.00 2.27 H new ATOM 0 HZ2 LYS P 157 17.046 2.989 -10.086 1.00 2.27 H new ATOM 0 HZ3 LYS P 157 16.816 1.319 -9.884 1.00 2.27 H new ATOM 2083 N ARG P 158 11.217 6.859 -8.208 1.00 0.39 N ATOM 2084 CA ARG P 158 10.663 8.183 -8.297 1.00 0.49 C ATOM 2085 C ARG P 158 10.856 8.862 -6.931 1.00 0.51 C ATOM 2086 O ARG P 158 10.869 10.093 -6.914 1.00 0.60 O ATOM 2087 CB ARG P 158 9.198 8.096 -8.693 1.00 0.63 C ATOM 2088 CG ARG P 158 8.290 9.294 -8.470 1.00 0.69 C ATOM 2089 CD ARG P 158 7.730 9.202 -7.062 1.00 0.97 C ATOM 2090 NE ARG P 158 6.591 10.100 -6.910 1.00 1.47 N ATOM 2091 CZ ARG P 158 5.772 10.177 -5.839 1.00 2.17 C ATOM 2092 NH1 ARG P 158 5.935 9.394 -4.736 1.00 2.85 N ATOM 2093 NH2 ARG P 158 4.744 11.069 -5.852 1.00 2.71 N ATOM 0 H ARG P 158 10.532 6.109 -8.302 1.00 0.39 H new ATOM 0 HA ARG P 158 11.165 8.777 -9.061 1.00 0.49 H new ATOM 0 HB2 ARG P 158 9.161 7.851 -9.754 1.00 0.63 H new ATOM 0 HB3 ARG P 158 8.764 7.253 -8.156 1.00 0.63 H new ATOM 0 HG2 ARG P 158 8.846 10.223 -8.599 1.00 0.69 H new ATOM 0 HG3 ARG P 158 7.482 9.301 -9.202 1.00 0.69 H new ATOM 0 HD2 ARG P 158 7.424 8.177 -6.851 1.00 0.97 H new ATOM 0 HD3 ARG P 158 8.503 9.459 -6.338 1.00 0.97 H new ATOM 0 HE ARG P 158 6.394 10.730 -7.687 1.00 1.47 H new ATOM 0 HH11 ARG P 158 6.698 8.718 -4.698 1.00 2.85 H new ATOM 0 HH12 ARG P 158 5.294 9.484 -3.948 1.00 2.85 H new ATOM 0 HH21 ARG P 158 4.600 11.669 -6.664 1.00 2.71 H new ATOM 0 HH22 ARG P 158 4.118 11.137 -5.050 1.00 2.71 H new ATOM 2107 N ALA P 159 11.067 8.149 -5.759 1.00 0.50 N ATOM 2108 CA ALA P 159 11.222 8.893 -4.524 1.00 0.57 C ATOM 2109 C ALA P 159 12.538 9.643 -4.517 1.00 0.57 C ATOM 2110 O ALA P 159 12.623 10.727 -3.943 1.00 0.66 O ATOM 2111 CB ALA P 159 11.299 7.989 -3.287 1.00 0.63 C ATOM 0 H ALA P 159 11.125 7.134 -5.681 1.00 0.50 H new ATOM 0 HA ALA P 159 10.350 9.545 -4.480 1.00 0.57 H new ATOM 0 HB1 ALA P 159 11.415 8.603 -2.394 1.00 0.63 H new ATOM 0 HB2 ALA P 159 10.384 7.402 -3.208 1.00 0.63 H new ATOM 0 HB3 ALA P 159 12.153 7.318 -3.379 1.00 0.63 H new ATOM 2117 N GLN P 160 13.591 9.052 -5.165 1.00 0.50 N ATOM 2118 CA GLN P 160 14.910 9.664 -5.132 1.00 0.56 C ATOM 2119 C GLN P 160 15.035 10.705 -6.229 1.00 0.61 C ATOM 2120 O GLN P 160 15.876 11.597 -6.124 1.00 0.69 O ATOM 2121 CB GLN P 160 16.000 8.593 -5.172 1.00 0.54 C ATOM 2122 CG GLN P 160 15.638 7.516 -4.141 1.00 0.48 C ATOM 2123 CD GLN P 160 16.737 6.639 -3.598 1.00 0.67 C ATOM 2124 OE1 GLN P 160 17.900 6.659 -3.980 1.00 0.94 O ATOM 2125 NE2 GLN P 160 16.199 5.839 -2.606 1.00 0.73 N ATOM 0 H GLN P 160 13.532 8.181 -5.693 1.00 0.50 H new ATOM 0 HA GLN P 160 15.046 10.195 -4.190 1.00 0.56 H new ATOM 0 HB2 GLN P 160 16.072 8.158 -6.169 1.00 0.54 H new ATOM 0 HB3 GLN P 160 16.972 9.029 -4.943 1.00 0.54 H new ATOM 0 HG2 GLN P 160 15.163 8.014 -3.295 1.00 0.48 H new ATOM 0 HG3 GLN P 160 14.888 6.866 -4.591 1.00 0.48 H new ATOM 0 HE21 GLN P 160 15.209 5.912 -2.373 1.00 0.73 H new ATOM 0 HE22 GLN P 160 16.793 5.176 -2.107 1.00 0.73 H new ATOM 2134 N ASN P 161 14.200 10.630 -7.322 1.00 0.57 N ATOM 2135 CA ASN P 161 14.292 11.664 -8.324 1.00 0.64 C ATOM 2136 C ASN P 161 13.755 12.907 -7.610 1.00 0.71 C ATOM 2137 O ASN P 161 14.090 14.022 -8.003 1.00 0.79 O ATOM 2138 CB ASN P 161 13.363 11.436 -9.506 1.00 0.64 C ATOM 2139 CG ASN P 161 14.055 11.715 -10.838 1.00 0.82 C ATOM 2140 OD1 ASN P 161 13.879 12.812 -11.361 1.00 1.20 O ATOM 2141 ND2 ASN P 161 14.863 10.730 -11.398 1.00 1.37 N ATOM 0 H ASN P 161 13.509 9.900 -7.495 1.00 0.57 H new ATOM 0 HA ASN P 161 15.312 11.718 -8.705 1.00 0.64 H new ATOM 0 HB2 ASN P 161 13.004 10.407 -9.492 1.00 0.64 H new ATOM 0 HB3 ASN P 161 12.489 12.080 -9.410 1.00 0.64 H new ATOM 0 HD21 ASN P 161 15.341 10.904 -12.282 1.00 1.37 H new ATOM 0 HD22 ASN P 161 14.977 9.834 -10.924 1.00 1.37 H new ATOM 2148 N GLU P 162 12.874 12.727 -6.553 1.00 0.70 N ATOM 2149 CA GLU P 162 12.298 13.857 -5.844 1.00 0.80 C ATOM 2150 C GLU P 162 13.547 14.429 -5.124 1.00 0.90 C ATOM 2151 O GLU P 162 14.021 15.467 -5.590 1.00 1.02 O ATOM 2152 CB GLU P 162 11.222 13.314 -4.894 1.00 0.84 C ATOM 2153 CG GLU P 162 10.039 14.248 -4.683 1.00 1.03 C ATOM 2154 CD GLU P 162 10.379 15.578 -3.973 1.00 1.92 C ATOM 2155 OE1 GLU P 162 11.433 15.575 -3.331 1.00 2.62 O ATOM 2156 OE2 GLU P 162 9.541 16.475 -4.112 1.00 2.46 O ATOM 0 H GLU P 162 12.576 11.815 -6.208 1.00 0.70 H new ATOM 0 HA GLU P 162 11.797 14.620 -6.440 1.00 0.80 H new ATOM 0 HB2 GLU P 162 10.855 12.365 -5.285 1.00 0.84 H new ATOM 0 HB3 GLU P 162 11.680 13.104 -3.928 1.00 0.84 H new ATOM 0 HG2 GLU P 162 9.595 14.474 -5.653 1.00 1.03 H new ATOM 0 HG3 GLU P 162 9.281 13.725 -4.100 1.00 1.03 H new TER 2163 GLU P 162 END