USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) HEADER METAL BINDING PROTEIN/DNA 08-OCT-13 2MF8 TITLE HADDOCK MODEL OF MYT1 F4F5 - DNA COMPLEX CAVEAT 2MF8 SEVERAL C-N OR O3'-P BONDS LIE OUTSIDE OF THE ACCEPTED CAVEAT 2 2MF8 RANGE. MANY VALUES OF COVALENT BOND LENGTH AND ANGLE CAVEAT 3 2MF8 DEVIATE SIGNIFICANTLY FROM STANDARD VALUES. COMPND MOL_ID: 1; COMPND 2 MOLECULE: MYELIN TRANSCRIPTION FACTOR 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 792-880; COMPND 5 SYNONYM: MYT1, NEURAL ZINC FINGER FACTOR 2, NZF-2; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'-D(*AP*CP*CP*GP*AP*AP*AP*GP*TP*TP*CP*AP*C)-3'); COMPND 9 CHAIN: B; COMPND 0 ENGINEERED: YES; COMPND 1 MOL_ID: 3; COMPND 2 MOLECULE: DNA (5'-D(*GP*TP*GP*AP*AP*CP*TP*TP*TP*CP*GP*GP*T)-3'); COMPND 3 CHAIN: C; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: MYT1, KIAA0835, NZF2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 0 MOL_ID: 3; SOURCE 1 SYNTHETIC: YES KEYWDS MYT1, ZINC FINGER, METAL BINDING PROTEIN-DNA COMPLEX EXPDTA SOLUTION NMR AUTHOR R.GAMSJAEGER,M.R.O'CONNELL,L.CUBEDDU,N.E.SHEPHERD,J.A.LOWRY,A.H.KWAN, AUTHOR 2 M.VANDEVENNE,M.K.SWANTON,J.M.MATTHEWS,J.P.MACKAY REVDAT 2 25-DEC-13 2MF8 1 JRNL REVDAT 1 06-NOV-13 2MF8 0 JRNL AUTH R.GAMSJAEGER,M.R.O'CONNELL,L.CUBEDDU,N.E.SHEPHERD,J.A.LOWRY, JRNL AUTH 2 A.H.KWAN,M.VANDEVENNE,M.K.SWANTON,J.M.MATTHEWS,J.P.MACKAY JRNL TITL A STRUCTURAL ANALYSIS OF DNA BINDING BY MYELIN TRANSCRIPTION JRNL TITL 2 FACTOR 1 DOUBLE ZINC FINGERS. JRNL REF J.BIOL.CHEM. V. 288 35180 2013 JRNL REFN ISSN 0021-9258 JRNL PMID 24097990 JRNL DOI 10.1074/JBC.M113.482075 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : HADDOCK REMARK 3 AUTHORS : BONVIN, A. ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STARTING STRUCTURE OF THE PROTEIN REMARK 3 WAS AN IN SILICO FUSION OF TWO MYT1 F5 ZINC FINGERS FROM PDB REMARK 3 ENTRY 2JYD. THE STARTING DNA STRUCTURE WAS CREATED BY PROGRAM REMARK 3 3DNA AS IDEAL B-FORM DNA. REMARK 4 REMARK 4 2MF8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-OCT-13. REMARK 100 THE RCSB ID CODE IS RCSB103556. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : 60 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.2-1.0 MM [U-13C; U-15N] REMARK 210 PROTEIN, 0.2-1.0 MM DNA, 90% H2O/ REMARK 210 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 3D CBCA(CO)NH; REMARK 210 3D HNCACB; 3D HNCO; 3D HN(CA)CO; REMARK 210 2D 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 10 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 FOR DOCKING, THE STARTING DNA STRUCTURE WAS CREATED BY PROGRAM 3DNA REMARK 400 AS IDEAL B-FORM DNA. 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 GLY A 788 REMARK 465 PRO A 789 REMARK 465 LEU A 790 REMARK 465 GLY A 791 REMARK 465 SER A 792 REMARK 465 PHE A 793 REMARK 465 ASP A 794 REMARK 465 ILE A 795 REMARK 465 LYS A 796 REMARK 465 LYS A 797 REMARK 465 GLU A 798 REMARK 465 LYS A 874 REMARK 465 LYS A 875 REMARK 465 SER A 876 REMARK 465 GLY A 877 REMARK 465 LEU A 878 REMARK 465 ARG A 879 REMARK 465 VAL A 880 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 HE ARG A 821 H61 DA B 7 1.16 REMARK 500 H1' DG B 8 H5' DT B 9 1.25 REMARK 500 HE ARG A 865 H61 DA C 18 1.29 REMARK 500 H2'' DG C 16 OP2 DA C 17 1.55 REMARK 500 H2'' DG B 8 OP2 DT B 9 1.58 REMARK 500 HB3 CYS A 851 ZN ZN A 902 1.58 REMARK 500 REMARK 500 REMARK: NULL 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 LEU A 828 CG LEU A 828 CD1 0.419 REMARK 500 LEU A 828 CG LEU A 828 CD2 0.338 REMARK 500 ALA A 829 CA ALA A 829 CB 0.162 REMARK 500 LYS A 831 CA LYS A 831 CB 0.139 REMARK 500 LYS A 831 CB LYS A 831 CG 0.238 REMARK 500 LYS A 831 CD LYS A 831 CE 0.353 REMARK 500 SER A 832 CA SER A 832 CB 0.092 REMARK 500 LEU A 833 CG LEU A 833 CD1 0.318 REMARK 500 LEU A 833 C LEU A 833 O 0.170 REMARK 500 ARG A 834 CB ARG A 834 CG 0.339 REMARK 500 ARG A 834 NE ARG A 834 CZ -0.080 REMARK 500 ASN A 835 C ASN A 835 O -0.149 REMARK 500 LEU A 836 CG LEU A 836 CD2 0.313 REMARK 500 LEU A 836 C LEU A 836 O 0.129 REMARK 500 LEU A 836 C MET A 837 N -0.254 REMARK 500 ALA A 838 CA ALA A 838 CB 0.164 REMARK 500 ALA A 839 CA ALA A 839 CB 0.171 REMARK 500 ALA A 839 C HIS A 840 N -0.173 REMARK 500 SER A 841 CA SER A 841 CB 0.182 REMARK 500 ALA A 842 C ALA A 842 O 0.196 REMARK 500 ALA A 842 C ASP A 843 N -0.301 REMARK 500 LEU A 844 CA LEU A 844 CB 0.175 REMARK 500 LEU A 844 C LYS A 845 N -0.352 REMARK 500 ARG A 872 CB ARG A 872 CG 0.293 REMARK 500 ARG A 872 CG ARG A 872 CD 0.178 REMARK 500 ARG A 872 CD ARG A 872 NE -0.161 REMARK 500 ARG A 872 NE ARG A 872 CZ -0.106 REMARK 500 ARG A 872 C ARG A 872 O -0.176 REMARK 500 ALA A 873 CA ALA A 873 CB 0.166 REMARK 500 ALA A 873 C ALA A 873 O -0.138 REMARK 500 DA B 1 O3' DC B 2 P -0.334 REMARK 500 DC B 2 O3' DC B 3 P -0.149 REMARK 500 DC B 3 O3' DG B 4 P -0.154 REMARK 500 DG B 4 O3' DA B 5 P -0.093 REMARK 500 DC B 11 O3' DA B 12 P -0.103 REMARK 500 DA B 12 O3' DC B 13 P -0.336 REMARK 500 DG C 14 O3' DT C 15 P -0.139 REMARK 500 DT C 15 O3' DG C 16 P -0.342 REMARK 500 DT C 21 O3' DT C 21 C3' -0.059 REMARK 500 DT C 22 O3' DC C 23 P -0.334 REMARK 500 DC C 23 O3' DG C 24 P -0.153 REMARK 500 DG C 24 O3' DG C 25 P -0.141 REMARK 500 DG C 25 O3' DT C 26 P -0.138 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 LEU A 836 CA - C - O ANGL. DEV. = -12.7 DEGREES REMARK 500 ALA A 842 CA - C - O ANGL. DEV. = -18.1 DEGREES REMARK 500 DA B 1 C3' - O3' - P ANGL. DEV. = -21.0 DEGREES REMARK 500 DC B 2 O3' - P - OP2 ANGL. DEV. = 29.5 DEGREES REMARK 500 DC B 2 O3' - P - OP1 ANGL. DEV. = -39.7 DEGREES REMARK 500 DC B 2 C3' - O3' - P ANGL. DEV. = -19.0 DEGREES REMARK 500 DC B 3 O3' - P - OP2 ANGL. DEV. = 24.4 DEGREES REMARK 500 DC B 3 O3' - P - OP1 ANGL. DEV. = -39.3 DEGREES REMARK 500 DC B 3 C3' - O3' - P ANGL. DEV. = -18.2 DEGREES REMARK 500 DG B 4 O3' - P - OP2 ANGL. DEV. = 23.9 DEGREES REMARK 500 DG B 4 O3' - P - OP1 ANGL. DEV. = -38.7 DEGREES REMARK 500 DG B 4 C3' - O3' - P ANGL. DEV. = -10.3 DEGREES REMARK 500 DA B 5 O3' - P - OP2 ANGL. DEV. = 15.3 DEGREES REMARK 500 DA B 5 O3' - P - OP1 ANGL. DEV. = -27.4 DEGREES REMARK 500 DG B 8 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DC B 11 O3' - P - OP2 ANGL. DEV. = 13.7 DEGREES REMARK 500 DC B 11 O3' - P - OP1 ANGL. DEV. = -20.8 DEGREES REMARK 500 DC B 11 C3' - O3' - P ANGL. DEV. = -9.4 DEGREES REMARK 500 DA B 12 O3' - P - OP2 ANGL. DEV. = 14.4 DEGREES REMARK 500 DA B 12 O3' - P - OP1 ANGL. DEV. = -27.2 DEGREES REMARK 500 DA B 12 C3' - O3' - P ANGL. DEV. = -20.8 DEGREES REMARK 500 DC B 13 O3' - P - OP2 ANGL. DEV. = 29.4 DEGREES REMARK 500 DC B 13 O3' - P - OP1 ANGL. DEV. = -39.7 DEGREES REMARK 500 DG C 14 C3' - O3' - P ANGL. DEV. = -11.0 DEGREES REMARK 500 DT C 15 O3' - P - OP2 ANGL. DEV. = 15.3 DEGREES REMARK 500 DT C 15 O3' - P - OP1 ANGL. DEV. = -28.9 DEGREES REMARK 500 DT C 15 C3' - O3' - P ANGL. DEV. = -18.6 DEGREES REMARK 500 DG C 16 O3' - P - OP2 ANGL. DEV. = 27.8 DEGREES REMARK 500 DG C 16 O3' - P - OP1 ANGL. DEV. = -39.0 DEGREES REMARK 500 DT C 22 O3' - P - OP2 ANGL. DEV. = 11.1 DEGREES REMARK 500 DT C 22 O3' - P - OP1 ANGL. DEV. = -18.7 DEGREES REMARK 500 DT C 22 C3' - O3' - P ANGL. DEV. = -19.7 DEGREES REMARK 500 DC C 23 O3' - P - OP2 ANGL. DEV. = 28.5 DEGREES REMARK 500 DC C 23 O3' - P - OP1 ANGL. DEV. = -39.7 DEGREES REMARK 500 DC C 23 C3' - O3' - P ANGL. DEV. = -18.1 DEGREES REMARK 500 DG C 24 O3' - P - OP2 ANGL. DEV. = 23.9 DEGREES REMARK 500 DG C 24 O3' - P - OP1 ANGL. DEV. = -38.6 DEGREES REMARK 500 DG C 24 C3' - O3' - P ANGL. DEV. = -18.8 DEGREES REMARK 500 DG C 25 O3' - P - OP2 ANGL. DEV. = 24.8 DEGREES REMARK 500 DG C 25 O3' - P - OP1 ANGL. DEV. = -38.8 DEGREES REMARK 500 DG C 25 C3' - O3' - P ANGL. DEV. = -11.0 DEGREES REMARK 500 DT C 26 O3' - P - OP2 ANGL. DEV. = 15.3 DEGREES REMARK 500 DT C 26 O3' - P - OP1 ANGL. DEV. = -29.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 818 -40.48 -141.77 REMARK 500 SER A 822 -132.88 -142.22 REMARK 500 SER A 824 -79.42 -104.55 REMARK 500 LEU A 828 -76.80 -72.51 REMARK 500 ASP A 830 -168.53 63.62 REMARK 500 LYS A 831 15.44 -143.56 REMARK 500 SER A 832 99.68 71.76 REMARK 500 LEU A 833 90.95 -168.50 REMARK 500 ARG A 834 -87.14 -142.40 REMARK 500 ASN A 835 -124.90 45.22 REMARK 500 LEU A 836 40.48 -107.71 REMARK 500 LYS A 845 -162.72 -106.83 REMARK 500 ALA A 862 -37.03 -140.60 REMARK 500 SER A 866 -128.06 -147.55 REMARK 500 LEU A 867 55.30 -90.06 REMARK 500 SER A 868 -77.05 -106.84 REMARK 500 PRO A 871 43.02 -82.92 REMARK 500 ARG A 872 -173.29 176.09 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 LEU A 799 11.03 REMARK 500 LEU A 828 11.26 REMARK 500 ALA A 842 -17.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 901 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 826 SG REMARK 620 2 CYS A 807 SG 146.2 REMARK 620 3 HIS A 820 NE2 89.7 88.6 REMARK 620 4 CYS A 802 SG 109.8 103.2 80.9 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 902 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 846 SG REMARK 620 2 CYS A 870 SG 107.1 REMARK 620 3 CYS A 851 SG 88.9 93.5 REMARK 620 4 HIS A 864 NE2 58.4 56.6 66.8 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 901 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 902 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 19540 RELATED DB: BMRB REMARK 900 RELATED ID: 2JYD RELATED DB: PDB REMARK 900 HADDOCK STARTING STRUCTURE DBREF 2MF8 A 792 880 UNP Q8CFC2 MYT1_MOUSE 792 880 DBREF 2MF8 B 1 13 PDB 2MF8 2MF8 1 13 DBREF 2MF8 C 14 26 PDB 2MF8 2MF8 14 26 SEQADV 2MF8 GLY A 788 UNP Q8CFC2 EXPRESSION TAG SEQADV 2MF8 PRO A 789 UNP Q8CFC2 EXPRESSION TAG SEQADV 2MF8 LEU A 790 UNP Q8CFC2 EXPRESSION TAG SEQADV 2MF8 GLY A 791 UNP Q8CFC2 EXPRESSION TAG SEQADV 2MF8 PHE A 793 UNP Q8CFC2 LYS 793 CONFLICT SEQADV 2MF8 ARG A 879 UNP Q8CFC2 LYS 879 CONFLICT SEQRES 1 A 93 GLY PRO LEU GLY SER PHE ASP ILE LYS LYS GLU LEU LEU SEQRES 2 A 93 THR CYS PRO THR PRO GLY CYS ASP GLY SER GLY HIS ILE SEQRES 3 A 93 THR GLY ASN TYR ALA SER HIS ARG SER LEU SER GLY CYS SEQRES 4 A 93 PRO LEU ALA ASP LYS SER LEU ARG ASN LEU MET ALA ALA SEQRES 5 A 93 HIS SER ALA ASP LEU LYS CYS PRO THR PRO GLY CYS ASP SEQRES 6 A 93 GLY SER GLY HIS ILE THR GLY ASN TYR ALA SER HIS ARG SEQRES 7 A 93 SER LEU SER GLY CYS PRO ARG ALA LYS LYS SER GLY LEU SEQRES 8 A 93 ARG VAL SEQRES 1 B 13 DA DC DC DG DA DA DA DG DT DT DC DA DC SEQRES 1 C 13 DG DT DG DA DA DC DT DT DT DC DG DG DT HET ZN A 901 1 HET ZN A 902 1 HETNAM ZN ZINC ION FORMUL 4 ZN 2(ZN 2+) LINK SG CYS A 826 ZN ZN A 901 1555 1555 1.91 LINK SG CYS A 807 ZN ZN A 901 1555 1555 1.94 LINK SG CYS A 846 ZN ZN A 902 1555 1555 1.96 LINK SG CYS A 870 ZN ZN A 902 1555 1555 1.98 LINK NE2 HIS A 820 ZN ZN A 901 1555 1555 2.22 LINK SG CYS A 851 ZN ZN A 902 1555 1555 2.38 LINK SG CYS A 802 ZN ZN A 901 1555 1555 2.55 LINK NE2 HIS A 864 ZN ZN A 902 1555 1555 2.64 SITE *** AC1 5 CYS A 802 THR A 804 CYS A 807 HIS A 820 SITE *** AC1 5 CYS A 826 SITE *** AC2 5 CYS A 846 THR A 848 CYS A 851 HIS A 864 SITE *** AC2 5 CYS A 870 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 820 HIS HE2 : A 820 HIS NE2 : A 901 ZNZN :(H bumps) USER MOD Set 1.1: A 866 SER OG : rot -161:sc= 0.0441 USER MOD Set 1.2: A 868 SER OG : rot -137:sc= 0.534 USER MOD Set 2.1: A 858 THR OG1 : rot -63:sc= 0.156 USER MOD Set 2.2: A 860 ASN : amide:sc= 0.35 K(o=0.51,f=-1.6!) USER MOD Set 3.1: A 822 SER OG : rot -143:sc= -0.524 USER MOD Set 3.2: A 824 SER OG : rot -130:sc= 1.19 USER MOD Set 4.1: A 814 THR OG1 : rot -67:sc= 0.142 USER MOD Set 4.2: A 816 ASN : amide:sc= 0.214 K(o=0.36,f=-1.7!) USER MOD Set 4.3: A 837 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 804 THR OG1 : rot 129:sc= 1.35 USER MOD Set 5.2: A 826 CYS SG : rot -37:sc= -0.0407! USER MOD Single : A 801 THR OG1 : rot 96:sc= -0.0736 USER MOD Single : A 810 SER OG : rot 113:sc= 1.17 USER MOD Single : A 812 HIS : no HD1:sc= -5.11! C(o=-5.1!,f=-11!) USER MOD Single : A 817 TYR OH : rot 180:sc= 0 USER MOD Single : A 819 SER OG : rot -67:sc= 0.604 USER MOD Single : A 831 LYS NZ :NH3+ 177:sc= 1.54 (180deg=1.51) USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -0.0516 K(o=-0.052,f=-0.55) USER MOD Single : A 840 HIS : +bothHN:sc= -7.5! C(o=-7.5!,f=-15!) USER MOD Single : A 841 SER OG : rot 180:sc= 0.00377 USER MOD Single : A 845 LYS NZ :NH3+ 162:sc= 1.18 (180deg=0.372) USER MOD Single : A 848 THR OG1 : rot 159:sc= 1.51 USER MOD Single : A 854 SER OG : rot 81:sc= 1.23 USER MOD Single : A 856 HIS : no HD1:sc= -5.87! C(o=-5.9!,f=-13!) USER MOD Single : A 861 TYR OH : rot 180:sc= 0 USER MOD Single : A 863 SER OG : rot -112:sc= 1.66 USER MOD Single : A 864 HIS : no HD1:sc= -29.4! C(o=-29!,f=-41!) USER MOD Single : B 1 DA O5' : rot 180:sc= -0.487 USER MOD Single : B 9 DT C7 :methyl 150:sc= -4.43! (180deg=-4.43!) USER MOD Single : B 10 DT C7 :methyl -30:sc= -8.27! (180deg=-8.72!) USER MOD Single : B 13 DC O3' : rot 180:sc= 0 USER MOD Single : C 14 DG O5' : rot 180:sc= -0.455 USER MOD Single : C 15 DT C7 :methyl -30:sc= -2.64! (180deg=-3.76!) USER MOD Single : C 20 DT C7 :methyl 150:sc= -16.3! (180deg=-16.3!) USER MOD Single : C 21 DT C7 :methyl -30:sc= -11.4! (180deg=-13.7!) USER MOD Single : C 22 DT C7 :methyl -30:sc= -3.21! (180deg=-3.67!) USER MOD Single : C 26 DT C7 :methyl -30:sc= -2.69! (180deg=-3.75!) USER MOD Single : C 26 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 799 -1.016 -1.630 -11.179 1.00 0.03 N ATOM 2 CA LEU A 799 -2.245 -1.478 -11.873 1.00 0.03 C ATOM 3 C LEU A 799 -3.389 -1.063 -10.745 1.00 0.03 C ATOM 4 O LEU A 799 -3.843 0.054 -10.906 1.00 0.03 O ATOM 5 CB LEU A 799 -2.517 -2.875 -12.607 1.00 0.03 C ATOM 6 CG LEU A 799 -3.852 -2.760 -13.620 1.00 0.03 C ATOM 7 CD1 LEU A 799 -3.712 -1.791 -15.034 1.00 0.03 C ATOM 8 CD2 LEU A 799 -4.267 -4.316 -14.214 1.00 0.03 C ATOM 0 HA LEU A 799 -2.252 -0.697 -12.633 1.00 0.03 H new ATOM 0 HB2 LEU A 799 -1.639 -3.166 -13.184 1.00 0.03 H new ATOM 0 HB3 LEU A 799 -2.683 -3.656 -11.865 1.00 0.03 H new ATOM 0 HG LEU A 799 -4.584 -2.285 -12.967 1.00 0.03 H new ATOM 0 HD11 LEU A 799 -4.652 -1.814 -15.586 1.00 0.03 H new ATOM 0 HD12 LEU A 799 -3.483 -0.764 -14.750 1.00 0.03 H new ATOM 0 HD13 LEU A 799 -2.912 -2.180 -15.664 1.00 0.03 H new ATOM 0 HD21 LEU A 799 -5.133 -4.236 -14.870 1.00 0.03 H new ATOM 0 HD22 LEU A 799 -3.426 -4.729 -14.772 1.00 0.03 H new ATOM 0 HD23 LEU A 799 -4.505 -4.973 -13.378 1.00 0.03 H new ATOM 20 N LEU A 800 -3.946 -1.957 -10.097 1.00 0.02 N ATOM 21 CA LEU A 800 -4.993 -1.686 -9.190 1.00 0.02 C ATOM 22 C LEU A 800 -4.344 -1.207 -7.946 1.00 0.02 C ATOM 23 O LEU A 800 -5.125 -0.538 -7.167 1.00 0.02 O ATOM 24 CB LEU A 800 -5.922 -2.981 -8.885 1.00 0.02 C ATOM 25 CG LEU A 800 -6.590 -3.580 -10.199 1.00 0.02 C ATOM 26 CD1 LEU A 800 -5.865 -5.044 -10.691 1.00 0.02 C ATOM 27 CD2 LEU A 800 -8.237 -3.960 -9.961 1.00 0.03 C ATOM 0 H LEU A 800 -3.698 -2.944 -10.165 1.00 0.02 H new ATOM 0 HA LEU A 800 -5.668 -0.944 -9.617 1.00 0.02 H new ATOM 0 HB2 LEU A 800 -5.318 -3.752 -8.406 1.00 0.02 H new ATOM 0 HB3 LEU A 800 -6.704 -2.704 -8.179 1.00 0.02 H new ATOM 0 HG LEU A 800 -6.457 -2.800 -10.949 1.00 0.02 H new ATOM 0 HD11 LEU A 800 -6.358 -5.410 -11.592 1.00 0.02 H new ATOM 0 HD12 LEU A 800 -4.808 -4.875 -10.899 1.00 0.02 H new ATOM 0 HD13 LEU A 800 -5.964 -5.784 -9.897 1.00 0.02 H new ATOM 0 HD21 LEU A 800 -8.654 -4.366 -10.883 1.00 0.03 H new ATOM 0 HD22 LEU A 800 -8.329 -4.699 -9.165 1.00 0.03 H new ATOM 0 HD23 LEU A 800 -8.782 -3.058 -9.683 1.00 0.03 H new ATOM 39 N THR A 801 -3.257 -1.700 -7.620 1.00 0.02 N ATOM 40 CA THR A 801 -2.571 -1.303 -6.390 1.00 0.02 C ATOM 41 C THR A 801 -1.747 -0.025 -6.612 1.00 0.02 C ATOM 42 O THR A 801 -1.975 0.998 -5.955 1.00 0.02 O ATOM 43 CB THR A 801 -1.649 -2.440 -5.908 1.00 0.02 C ATOM 44 OG1 THR A 801 -2.256 -3.711 -6.188 1.00 0.02 O ATOM 45 CG2 THR A 801 -1.394 -2.338 -4.418 1.00 0.02 C ATOM 0 H THR A 801 -2.764 -2.405 -8.168 1.00 0.02 H new ATOM 0 HA THR A 801 -3.325 -1.102 -5.629 1.00 0.02 H new ATOM 0 HB THR A 801 -0.700 -2.351 -6.437 1.00 0.02 H new ATOM 0 HG1 THR A 801 -1.913 -4.057 -7.038 1.00 0.02 H new ATOM 0 HG21 THR A 801 -0.741 -3.152 -4.104 1.00 0.02 H new ATOM 0 HG22 THR A 801 -0.917 -1.384 -4.195 1.00 0.02 H new ATOM 0 HG23 THR A 801 -2.340 -2.405 -3.881 1.00 0.02 H new ATOM 53 N CYS A 802 -0.774 -0.116 -7.510 1.00 0.02 N ATOM 54 CA CYS A 802 0.069 1.003 -7.890 1.00 0.03 C ATOM 55 C CYS A 802 -0.373 1.527 -9.251 1.00 0.03 C ATOM 56 O CYS A 802 -0.979 0.791 -10.030 1.00 0.03 O ATOM 57 CB CYS A 802 1.500 0.515 -7.967 1.00 0.03 C ATOM 58 SG CYS A 802 1.584 -1.222 -8.463 1.00 0.03 S ATOM 0 H CYS A 802 -0.548 -0.982 -7.999 1.00 0.02 H new ATOM 0 HA CYS A 802 -0.011 1.807 -7.158 1.00 0.03 H new ATOM 0 HB2 CYS A 802 2.055 1.125 -8.680 1.00 0.03 H new ATOM 0 HB3 CYS A 802 1.981 0.641 -6.997 1.00 0.03 H new ATOM 63 N PRO A 803 -0.075 2.796 -9.567 1.00 0.03 N ATOM 64 CA PRO A 803 -0.450 3.405 -10.850 1.00 0.03 C ATOM 65 C PRO A 803 0.269 2.772 -12.045 1.00 0.03 C ATOM 66 O PRO A 803 -0.137 2.954 -13.190 1.00 0.03 O ATOM 67 CB PRO A 803 -0.030 4.869 -10.684 1.00 0.03 C ATOM 68 CG PRO A 803 1.005 4.859 -9.616 1.00 0.03 C ATOM 69 CD PRO A 803 0.633 3.742 -8.688 1.00 0.03 C ATOM 0 HA PRO A 803 -1.510 3.270 -11.064 1.00 0.03 H new ATOM 0 HB2 PRO A 803 0.369 5.272 -11.615 1.00 0.03 H new ATOM 0 HB3 PRO A 803 -0.879 5.493 -10.404 1.00 0.03 H new ATOM 0 HG2 PRO A 803 1.998 4.702 -10.037 1.00 0.03 H new ATOM 0 HG3 PRO A 803 1.030 5.812 -9.088 1.00 0.03 H new ATOM 0 HD2 PRO A 803 1.513 3.287 -8.232 1.00 0.03 H new ATOM 0 HD3 PRO A 803 -0.004 4.090 -7.874 1.00 0.03 H new ATOM 77 N THR A 804 1.335 2.027 -11.771 1.00 0.03 N ATOM 78 CA THR A 804 2.110 1.370 -12.816 1.00 0.03 C ATOM 79 C THR A 804 1.279 0.286 -13.513 1.00 0.03 C ATOM 80 O THR A 804 0.857 -0.683 -12.879 1.00 0.03 O ATOM 81 CB THR A 804 3.386 0.748 -12.227 1.00 0.03 C ATOM 82 OG1 THR A 804 3.777 1.486 -11.060 1.00 0.03 O ATOM 83 CG2 THR A 804 4.518 0.754 -13.244 1.00 0.03 C ATOM 0 H THR A 804 1.683 1.863 -10.826 1.00 0.03 H new ATOM 0 HA THR A 804 2.388 2.124 -13.553 1.00 0.03 H new ATOM 0 HB THR A 804 3.177 -0.288 -11.959 1.00 0.03 H new ATOM 0 HG1 THR A 804 3.915 0.867 -10.313 1.00 0.03 H new ATOM 0 HG21 THR A 804 5.408 0.308 -12.800 1.00 0.03 H new ATOM 0 HG22 THR A 804 4.222 0.178 -14.121 1.00 0.03 H new ATOM 0 HG23 THR A 804 4.735 1.780 -13.540 1.00 0.03 H new ATOM 91 N PRO A 805 1.016 0.444 -14.827 1.00 0.03 N ATOM 92 CA PRO A 805 0.221 -0.520 -15.606 1.00 0.03 C ATOM 93 C PRO A 805 0.866 -1.903 -15.696 1.00 0.03 C ATOM 94 O PRO A 805 0.173 -2.921 -15.641 1.00 0.03 O ATOM 95 CB PRO A 805 0.139 0.109 -17.000 1.00 0.03 C ATOM 96 CG PRO A 805 0.504 1.542 -16.817 1.00 0.03 C ATOM 97 CD PRO A 805 1.446 1.589 -15.648 1.00 0.03 C ATOM 0 HA PRO A 805 -0.748 -0.691 -15.137 1.00 0.03 H new ATOM 0 HB2 PRO A 805 0.821 -0.384 -17.693 1.00 0.03 H new ATOM 0 HB3 PRO A 805 -0.864 0.010 -17.416 1.00 0.03 H new ATOM 0 HG2 PRO A 805 0.977 1.941 -17.714 1.00 0.03 H new ATOM 0 HG3 PRO A 805 -0.382 2.148 -16.628 1.00 0.03 H new ATOM 0 HD2 PRO A 805 2.485 1.492 -15.963 1.00 0.03 H new ATOM 0 HD3 PRO A 805 1.365 2.529 -15.103 1.00 0.03 H new ATOM 105 N GLY A 806 2.185 -1.935 -15.848 1.00 0.03 N ATOM 106 CA GLY A 806 2.892 -3.199 -15.951 1.00 0.03 C ATOM 107 C GLY A 806 2.898 -3.965 -14.644 1.00 0.03 C ATOM 108 O GLY A 806 2.845 -5.199 -14.635 1.00 0.03 O ATOM 0 H GLY A 806 2.779 -1.107 -15.902 1.00 0.03 H new ATOM 0 HA2 GLY A 806 2.428 -3.810 -16.725 1.00 0.03 H new ATOM 0 HA3 GLY A 806 3.919 -3.013 -16.265 1.00 0.03 H new ATOM 112 N CYS A 807 2.948 -3.232 -13.545 1.00 0.03 N ATOM 113 CA CYS A 807 2.959 -3.828 -12.225 1.00 0.03 C ATOM 114 C CYS A 807 1.536 -4.175 -11.794 1.00 0.03 C ATOM 115 O CYS A 807 0.564 -3.597 -12.288 1.00 0.03 O ATOM 116 CB CYS A 807 3.595 -2.859 -11.235 1.00 0.03 C ATOM 117 SG CYS A 807 3.968 -3.576 -9.607 1.00 0.03 S ATOM 0 H CYS A 807 2.982 -2.213 -13.545 1.00 0.03 H new ATOM 0 HA CYS A 807 3.545 -4.747 -12.248 1.00 0.03 H new ATOM 0 HB2 CYS A 807 4.518 -2.472 -11.667 1.00 0.03 H new ATOM 0 HB3 CYS A 807 2.927 -2.009 -11.098 1.00 0.03 H new ATOM 122 N ASP A 808 1.419 -5.110 -10.863 1.00 0.03 N ATOM 123 CA ASP A 808 0.115 -5.530 -10.375 1.00 0.03 C ATOM 124 C ASP A 808 -0.066 -5.132 -8.914 1.00 0.02 C ATOM 125 O ASP A 808 -1.175 -5.164 -8.380 1.00 0.02 O ATOM 126 CB ASP A 808 -0.070 -7.045 -10.547 1.00 0.03 C ATOM 127 CG ASP A 808 0.284 -7.825 -9.296 1.00 0.03 C ATOM 128 OD1 ASP A 808 1.476 -7.869 -8.944 1.00 0.03 O ATOM 129 OD2 ASP A 808 -0.634 -8.387 -8.656 1.00 0.02 O ATOM 0 H ASP A 808 2.209 -5.591 -10.432 1.00 0.03 H new ATOM 0 HA ASP A 808 -0.647 -5.024 -10.967 1.00 0.03 H new ATOM 0 HB2 ASP A 808 -1.105 -7.252 -10.818 1.00 0.03 H new ATOM 0 HB3 ASP A 808 0.551 -7.391 -11.373 1.00 0.03 H new ATOM 134 N GLY A 809 1.028 -4.739 -8.274 1.00 0.03 N ATOM 135 CA GLY A 809 0.963 -4.339 -6.882 1.00 0.02 C ATOM 136 C GLY A 809 1.514 -5.383 -5.933 1.00 0.03 C ATOM 137 O GLY A 809 1.814 -5.079 -4.776 1.00 0.03 O ATOM 0 H GLY A 809 1.957 -4.690 -8.693 1.00 0.03 H new ATOM 0 HA2 GLY A 809 1.518 -3.410 -6.752 1.00 0.02 H new ATOM 0 HA3 GLY A 809 -0.074 -4.130 -6.619 1.00 0.02 H new ATOM 141 N SER A 810 1.643 -6.611 -6.416 1.00 0.03 N ATOM 142 CA SER A 810 2.160 -7.693 -5.596 1.00 0.03 C ATOM 143 C SER A 810 3.681 -7.746 -5.688 1.00 0.03 C ATOM 144 O SER A 810 4.257 -7.472 -6.744 1.00 0.03 O ATOM 145 CB SER A 810 1.559 -9.030 -6.035 1.00 0.03 C ATOM 146 OG SER A 810 0.147 -8.945 -6.152 1.00 0.02 O ATOM 0 H SER A 810 1.397 -6.880 -7.369 1.00 0.03 H new ATOM 0 HA SER A 810 1.877 -7.507 -4.560 1.00 0.03 H new ATOM 0 HB2 SER A 810 1.988 -9.328 -6.992 1.00 0.03 H new ATOM 0 HB3 SER A 810 1.821 -9.804 -5.313 1.00 0.03 H new ATOM 0 HG SER A 810 -0.110 -9.043 -7.093 1.00 0.02 H new ATOM 152 N GLY A 811 4.436 -8.171 -4.658 1.00 0.03 N ATOM 153 CA GLY A 811 5.878 -8.234 -4.810 1.00 0.03 C ATOM 154 C GLY A 811 6.476 -6.892 -4.552 1.00 0.03 C ATOM 155 O GLY A 811 5.786 -5.933 -4.285 1.00 0.03 O ATOM 0 H GLY A 811 4.077 -8.463 -3.749 1.00 0.03 H new ATOM 0 HA2 GLY A 811 6.294 -8.966 -4.117 1.00 0.03 H new ATOM 0 HA3 GLY A 811 6.132 -8.567 -5.816 1.00 0.03 H new ATOM 159 N HIS A 812 7.795 -6.811 -4.617 1.00 0.03 N ATOM 160 CA HIS A 812 8.477 -5.551 -4.356 1.00 0.03 C ATOM 161 C HIS A 812 9.790 -5.536 -5.118 1.00 0.03 C ATOM 162 O HIS A 812 10.242 -6.574 -5.602 1.00 0.05 O ATOM 163 CB HIS A 812 8.702 -5.320 -2.854 1.00 0.03 C ATOM 164 CG HIS A 812 7.906 -4.177 -2.281 1.00 0.03 C ATOM 165 ND1 HIS A 812 8.003 -2.905 -2.780 1.00 0.04 N ATOM 166 CD2 HIS A 812 7.063 -4.167 -1.228 1.00 0.04 C ATOM 167 CE1 HIS A 812 7.234 -2.152 -2.026 1.00 0.04 C ATOM 168 NE2 HIS A 812 6.645 -2.871 -1.059 1.00 0.04 N ATOM 0 H HIS A 812 8.410 -7.592 -4.845 1.00 0.03 H new ATOM 0 HA HIS A 812 7.846 -4.732 -4.701 1.00 0.03 H new ATOM 0 HB2 HIS A 812 8.447 -6.232 -2.315 1.00 0.03 H new ATOM 0 HB3 HIS A 812 9.762 -5.133 -2.681 1.00 0.03 H new ATOM 0 HD2 HIS A 812 6.772 -5.018 -0.631 1.00 0.04 H new ATOM 0 HE1 HIS A 812 7.094 -1.090 -2.167 1.00 0.04 H new ATOM 0 HE2 HIS A 812 6.011 -2.523 -0.340 1.00 0.04 H new ATOM 176 N ILE A 813 10.410 -4.368 -5.207 1.00 0.03 N ATOM 177 CA ILE A 813 11.686 -4.237 -5.892 1.00 0.03 C ATOM 178 C ILE A 813 12.751 -5.088 -5.182 1.00 0.03 C ATOM 179 O ILE A 813 13.557 -5.775 -5.826 1.00 0.04 O ATOM 180 CB ILE A 813 12.125 -2.742 -5.977 1.00 0.03 C ATOM 181 CG1 ILE A 813 13.505 -2.597 -6.627 1.00 0.09 C ATOM 182 CG2 ILE A 813 12.112 -2.080 -4.607 1.00 0.07 C ATOM 183 CD1 ILE A 813 13.942 -1.155 -6.817 1.00 1.23 C ATOM 0 H ILE A 813 10.050 -3.499 -4.813 1.00 0.03 H new ATOM 0 HA ILE A 813 11.574 -4.602 -6.913 1.00 0.03 H new ATOM 0 HB ILE A 813 11.398 -2.232 -6.609 1.00 0.03 H new ATOM 0 HG12 ILE A 813 14.242 -3.113 -6.012 1.00 0.09 H new ATOM 0 HG13 ILE A 813 13.494 -3.095 -7.597 1.00 0.09 H new ATOM 0 HG21 ILE A 813 12.423 -1.040 -4.703 1.00 0.07 H new ATOM 0 HG22 ILE A 813 11.105 -2.121 -4.193 1.00 0.07 H new ATOM 0 HG23 ILE A 813 12.799 -2.604 -3.943 1.00 0.07 H new ATOM 0 HD11 ILE A 813 14.928 -1.132 -7.282 1.00 1.23 H new ATOM 0 HD12 ILE A 813 13.226 -0.639 -7.457 1.00 1.23 H new ATOM 0 HD13 ILE A 813 13.986 -0.658 -5.848 1.00 1.23 H new ATOM 195 N THR A 814 12.768 -5.007 -3.853 1.00 0.03 N ATOM 196 CA THR A 814 13.729 -5.774 -3.078 1.00 0.04 C ATOM 197 C THR A 814 13.160 -7.152 -2.733 1.00 0.04 C ATOM 198 O THR A 814 13.897 -8.075 -2.392 1.00 0.05 O ATOM 199 CB THR A 814 14.144 -5.011 -1.789 1.00 0.05 C ATOM 200 OG1 THR A 814 15.013 -5.812 -0.976 1.00 0.06 O ATOM 201 CG2 THR A 814 12.924 -4.602 -0.975 1.00 0.04 C ATOM 0 H THR A 814 12.136 -4.427 -3.301 1.00 0.03 H new ATOM 0 HA THR A 814 14.623 -5.912 -3.686 1.00 0.04 H new ATOM 0 HB THR A 814 14.676 -4.113 -2.102 1.00 0.05 H new ATOM 0 HG1 THR A 814 14.518 -6.583 -0.629 1.00 0.06 H new ATOM 0 HG21 THR A 814 13.246 -4.070 -0.079 1.00 0.04 H new ATOM 0 HG22 THR A 814 12.288 -3.951 -1.575 1.00 0.04 H new ATOM 0 HG23 THR A 814 12.364 -5.492 -0.687 1.00 0.04 H new ATOM 209 N GLY A 815 11.842 -7.289 -2.858 1.00 0.03 N ATOM 210 CA GLY A 815 11.183 -8.555 -2.570 1.00 0.04 C ATOM 211 C GLY A 815 11.109 -8.864 -1.083 1.00 0.04 C ATOM 212 O GLY A 815 10.786 -9.982 -0.691 1.00 0.04 O ATOM 0 H GLY A 815 11.214 -6.542 -3.155 1.00 0.03 H new ATOM 0 HA2 GLY A 815 10.174 -8.534 -2.981 1.00 0.04 H new ATOM 0 HA3 GLY A 815 11.717 -9.359 -3.076 1.00 0.04 H new ATOM 216 N ASN A 816 11.429 -7.862 -0.266 1.00 0.03 N ATOM 217 CA ASN A 816 11.391 -8.012 1.180 1.00 0.04 C ATOM 218 C ASN A 816 10.014 -7.702 1.740 1.00 0.03 C ATOM 219 O ASN A 816 9.806 -7.740 2.948 1.00 0.03 O ATOM 220 CB ASN A 816 12.439 -7.127 1.849 1.00 0.05 C ATOM 221 CG ASN A 816 13.859 -7.621 1.625 1.00 0.07 C ATOM 222 OD1 ASN A 816 14.166 -8.225 0.600 1.00 0.19 O ATOM 223 ND2 ASN A 816 14.729 -7.369 2.593 1.00 0.33 N ATOM 0 H ASN A 816 11.718 -6.937 -0.586 1.00 0.03 H new ATOM 0 HA ASN A 816 11.619 -9.055 1.400 1.00 0.04 H new ATOM 0 HB2 ASN A 816 12.348 -6.111 1.465 1.00 0.05 H new ATOM 0 HB3 ASN A 816 12.240 -7.082 2.920 1.00 0.05 H new ATOM 0 HD21 ASN A 816 15.696 -7.680 2.503 1.00 0.33 H new ATOM 0 HD22 ASN A 816 14.431 -6.864 3.428 1.00 0.33 H new ATOM 230 N TYR A 817 9.089 -7.378 0.856 1.00 0.03 N ATOM 231 CA TYR A 817 7.723 -7.066 1.263 1.00 0.03 C ATOM 232 C TYR A 817 6.720 -7.375 0.151 1.00 0.04 C ATOM 233 O TYR A 817 7.040 -8.085 -0.805 1.00 0.07 O ATOM 234 CB TYR A 817 7.623 -5.593 1.664 1.00 0.04 C ATOM 235 CG TYR A 817 8.588 -5.168 2.752 1.00 0.04 C ATOM 236 CD1 TYR A 817 9.863 -4.710 2.446 1.00 0.04 C ATOM 237 CD2 TYR A 817 8.217 -5.205 4.079 1.00 0.04 C ATOM 238 CE1 TYR A 817 10.732 -4.301 3.441 1.00 0.05 C ATOM 239 CE2 TYR A 817 9.076 -4.800 5.079 1.00 0.05 C ATOM 240 CZ TYR A 817 10.330 -4.348 4.757 1.00 0.06 C ATOM 241 OH TYR A 817 11.181 -3.941 5.753 1.00 0.07 O ATOM 0 H TYR A 817 9.254 -7.323 -0.149 1.00 0.03 H new ATOM 0 HA TYR A 817 7.476 -7.695 2.118 1.00 0.03 H new ATOM 0 HB2 TYR A 817 7.797 -4.977 0.782 1.00 0.04 H new ATOM 0 HB3 TYR A 817 6.606 -5.390 1.999 1.00 0.04 H new ATOM 0 HD1 TYR A 817 10.181 -4.673 1.415 1.00 0.04 H new ATOM 0 HD2 TYR A 817 7.231 -5.559 4.342 1.00 0.04 H new ATOM 0 HE1 TYR A 817 11.720 -3.947 3.187 1.00 0.05 H new ATOM 0 HE2 TYR A 817 8.762 -4.839 6.112 1.00 0.05 H new ATOM 0 HH TYR A 817 10.738 -4.039 6.622 1.00 0.07 H new ATOM 251 N ALA A 818 5.503 -6.850 0.295 1.00 0.04 N ATOM 252 CA ALA A 818 4.449 -7.065 -0.693 1.00 0.05 C ATOM 253 C ALA A 818 3.609 -5.804 -0.889 1.00 0.05 C ATOM 254 O ALA A 818 3.242 -5.463 -2.012 1.00 0.08 O ATOM 255 CB ALA A 818 3.563 -8.233 -0.280 1.00 0.06 C ATOM 0 H ALA A 818 5.224 -6.272 1.088 1.00 0.04 H new ATOM 0 HA ALA A 818 4.925 -7.304 -1.644 1.00 0.05 H new ATOM 0 HB1 ALA A 818 2.783 -8.380 -1.027 1.00 0.06 H new ATOM 0 HB2 ALA A 818 4.166 -9.138 -0.203 1.00 0.06 H new ATOM 0 HB3 ALA A 818 3.105 -8.019 0.686 1.00 0.06 H new ATOM 261 N SER A 819 3.317 -5.119 0.215 1.00 0.05 N ATOM 262 CA SER A 819 2.518 -3.892 0.183 1.00 0.05 C ATOM 263 C SER A 819 3.217 -2.765 -0.595 1.00 0.04 C ATOM 264 O SER A 819 4.285 -2.313 -0.223 1.00 0.04 O ATOM 265 CB SER A 819 2.199 -3.439 1.624 1.00 0.07 C ATOM 266 OG SER A 819 2.456 -2.052 1.808 1.00 0.06 O ATOM 0 H SER A 819 3.623 -5.394 1.148 1.00 0.05 H new ATOM 0 HA SER A 819 1.589 -4.113 -0.343 1.00 0.05 H new ATOM 0 HB2 SER A 819 1.153 -3.648 1.848 1.00 0.07 H new ATOM 0 HB3 SER A 819 2.798 -4.017 2.328 1.00 0.07 H new ATOM 0 HG SER A 819 3.419 -1.885 1.736 1.00 0.06 H new ATOM 272 N HIS A 820 2.573 -2.304 -1.658 1.00 0.03 N ATOM 273 CA HIS A 820 3.105 -1.213 -2.496 1.00 0.03 C ATOM 274 C HIS A 820 2.023 -0.655 -3.395 1.00 0.03 C ATOM 275 O HIS A 820 1.396 -1.392 -4.147 1.00 0.03 O ATOM 276 CB HIS A 820 4.376 -1.618 -3.308 1.00 0.03 C ATOM 277 CG HIS A 820 4.242 -2.032 -4.792 1.00 0.03 C ATOM 278 ND1 HIS A 820 4.460 -3.329 -5.203 1.00 0.03 N ATOM 279 CD2 HIS A 820 4.057 -1.298 -5.948 1.00 0.03 C ATOM 280 CE1 HIS A 820 4.414 -3.364 -6.548 1.00 0.03 C ATOM 281 NE2 HIS A 820 4.185 -2.169 -7.062 1.00 0.03 N ATOM 0 H HIS A 820 1.672 -2.666 -1.971 1.00 0.03 H new ATOM 0 HA HIS A 820 3.431 -0.427 -1.815 1.00 0.03 H new ATOM 0 HB2 HIS A 820 5.069 -0.778 -3.266 1.00 0.03 H new ATOM 0 HB3 HIS A 820 4.848 -2.447 -2.781 1.00 0.03 H new ATOM 0 HD1 HIS A 820 4.628 -4.128 -4.591 1.00 0.03 H new ATOM 0 HD2 HIS A 820 3.850 -0.239 -5.996 1.00 0.03 H new ATOM 0 HE1 HIS A 820 4.548 -4.260 -7.135 1.00 0.03 H new ATOM 289 N ARG A 821 1.792 0.646 -3.290 1.00 0.04 N ATOM 290 CA ARG A 821 0.772 1.296 -4.101 1.00 0.05 C ATOM 291 C ARG A 821 1.181 2.715 -4.517 1.00 0.05 C ATOM 292 O ARG A 821 0.397 3.432 -5.139 1.00 0.05 O ATOM 293 CB ARG A 821 -0.578 1.320 -3.359 1.00 0.05 C ATOM 294 CG ARG A 821 -0.496 1.236 -1.835 1.00 0.05 C ATOM 295 CD ARG A 821 0.287 2.395 -1.233 1.00 0.06 C ATOM 296 NE ARG A 821 0.545 2.207 0.197 1.00 0.06 N ATOM 297 CZ ARG A 821 1.245 1.190 0.709 1.00 0.06 C ATOM 298 NH1 ARG A 821 1.784 0.275 -0.081 1.00 0.08 N ATOM 299 NH2 ARG A 821 1.412 1.092 2.017 1.00 0.08 N ATOM 0 H ARG A 821 2.293 1.269 -2.656 1.00 0.04 H new ATOM 0 HA ARG A 821 0.664 0.709 -5.013 1.00 0.05 H new ATOM 0 HB2 ARG A 821 -1.103 2.237 -3.627 1.00 0.05 H new ATOM 0 HB3 ARG A 821 -1.185 0.489 -3.719 1.00 0.05 H new ATOM 0 HG2 ARG A 821 -1.504 1.226 -1.419 1.00 0.05 H new ATOM 0 HG3 ARG A 821 -0.025 0.295 -1.550 1.00 0.05 H new ATOM 0 HD2 ARG A 821 1.235 2.503 -1.760 1.00 0.06 H new ATOM 0 HD3 ARG A 821 -0.268 3.322 -1.381 1.00 0.06 H new ATOM 0 HE ARG A 821 0.165 2.898 0.844 1.00 0.06 H new ATOM 0 HH11 ARG A 821 1.667 0.342 -1.092 1.00 0.08 H new ATOM 0 HH12 ARG A 821 2.316 -0.497 0.321 1.00 0.08 H new ATOM 0 HH21 ARG A 821 1.006 1.793 2.637 1.00 0.08 H new ATOM 0 HH22 ARG A 821 1.946 0.315 2.406 1.00 0.08 H new ATOM 313 N SER A 822 2.404 3.093 -4.176 1.00 0.05 N ATOM 314 CA SER A 822 2.915 4.419 -4.520 1.00 0.06 C ATOM 315 C SER A 822 4.391 4.382 -4.906 1.00 0.07 C ATOM 316 O SER A 822 4.800 3.559 -5.725 1.00 0.08 O ATOM 317 CB SER A 822 2.687 5.399 -3.363 1.00 0.08 C ATOM 318 OG SER A 822 3.315 4.971 -2.156 1.00 0.11 O ATOM 0 H SER A 822 3.062 2.506 -3.663 1.00 0.05 H new ATOM 0 HA SER A 822 2.360 4.765 -5.392 1.00 0.06 H new ATOM 0 HB2 SER A 822 3.071 6.381 -3.641 1.00 0.08 H new ATOM 0 HB3 SER A 822 1.616 5.512 -3.192 1.00 0.08 H new ATOM 0 HG SER A 822 2.744 5.196 -1.392 1.00 0.11 H new ATOM 324 N LEU A 823 5.172 5.300 -4.344 1.00 0.10 N ATOM 325 CA LEU A 823 6.598 5.353 -4.618 1.00 0.12 C ATOM 326 C LEU A 823 7.316 4.400 -3.687 1.00 0.13 C ATOM 327 O LEU A 823 8.226 4.786 -2.952 1.00 0.24 O ATOM 328 CB LEU A 823 7.157 6.774 -4.448 1.00 0.17 C ATOM 329 CG LEU A 823 6.428 7.667 -3.441 1.00 0.40 C ATOM 330 CD1 LEU A 823 7.423 8.546 -2.696 1.00 0.54 C ATOM 331 CD2 LEU A 823 5.392 8.523 -4.155 1.00 0.58 C ATOM 0 H LEU A 823 4.839 6.015 -3.697 1.00 0.10 H new ATOM 0 HA LEU A 823 6.760 5.060 -5.655 1.00 0.12 H new ATOM 0 HB2 LEU A 823 8.202 6.698 -4.146 1.00 0.17 H new ATOM 0 HB3 LEU A 823 7.141 7.268 -5.420 1.00 0.17 H new ATOM 0 HG LEU A 823 5.917 7.034 -2.716 1.00 0.40 H new ATOM 0 HD11 LEU A 823 6.890 9.176 -1.983 1.00 0.54 H new ATOM 0 HD12 LEU A 823 8.136 7.917 -2.162 1.00 0.54 H new ATOM 0 HD13 LEU A 823 7.957 9.176 -3.408 1.00 0.54 H new ATOM 0 HD21 LEU A 823 4.879 9.154 -3.429 1.00 0.58 H new ATOM 0 HD22 LEU A 823 5.887 9.150 -4.896 1.00 0.58 H new ATOM 0 HD23 LEU A 823 4.667 7.878 -4.651 1.00 0.58 H new ATOM 343 N SER A 824 6.890 3.150 -3.711 1.00 0.05 N ATOM 344 CA SER A 824 7.477 2.150 -2.869 1.00 0.06 C ATOM 345 C SER A 824 8.399 1.222 -3.664 1.00 0.04 C ATOM 346 O SER A 824 9.608 1.467 -3.683 1.00 0.05 O ATOM 347 CB SER A 824 6.390 1.365 -2.126 1.00 0.07 C ATOM 348 OG SER A 824 5.400 2.235 -1.585 1.00 0.12 O ATOM 0 H SER A 824 6.137 2.813 -4.310 1.00 0.05 H new ATOM 0 HA SER A 824 8.095 2.653 -2.125 1.00 0.06 H new ATOM 0 HB2 SER A 824 5.920 0.656 -2.808 1.00 0.07 H new ATOM 0 HB3 SER A 824 6.843 0.783 -1.323 1.00 0.07 H new ATOM 0 HG SER A 824 5.256 2.019 -0.640 1.00 0.12 H new ATOM 354 N GLY A 825 7.846 0.237 -4.393 1.00 0.04 N ATOM 355 CA GLY A 825 8.732 -0.718 -5.085 1.00 0.03 C ATOM 356 C GLY A 825 8.035 -1.639 -6.069 1.00 0.03 C ATOM 357 O GLY A 825 7.631 -2.742 -5.730 1.00 0.03 O ATOM 0 H GLY A 825 6.845 0.083 -4.516 1.00 0.04 H new ATOM 0 HA2 GLY A 825 9.501 -0.158 -5.616 1.00 0.03 H new ATOM 0 HA3 GLY A 825 9.240 -1.327 -4.337 1.00 0.03 H new ATOM 361 N CYS A 826 7.842 -1.116 -7.268 1.00 0.03 N ATOM 362 CA CYS A 826 7.184 -1.848 -8.342 1.00 0.03 C ATOM 363 C CYS A 826 8.187 -2.810 -8.989 1.00 0.03 C ATOM 364 O CYS A 826 9.157 -2.371 -9.612 1.00 0.03 O ATOM 365 CB CYS A 826 6.632 -0.877 -9.391 1.00 0.03 C ATOM 366 SG CYS A 826 5.041 -0.113 -8.951 1.00 0.03 S ATOM 0 H CYS A 826 8.136 -0.174 -7.526 1.00 0.03 H new ATOM 0 HA CYS A 826 6.351 -2.416 -7.929 1.00 0.03 H new ATOM 0 HB2 CYS A 826 7.365 -0.088 -9.558 1.00 0.03 H new ATOM 0 HB3 CYS A 826 6.516 -1.410 -10.335 1.00 0.03 H new ATOM 0 HG CYS A 826 4.301 -0.981 -8.327 1.00 0.03 H new ATOM 371 N PRO A 827 7.966 -4.131 -8.870 1.00 0.03 N ATOM 372 CA PRO A 827 8.879 -5.144 -9.430 1.00 0.03 C ATOM 373 C PRO A 827 8.804 -5.282 -10.961 1.00 0.03 C ATOM 374 O PRO A 827 8.501 -6.352 -11.481 1.00 0.03 O ATOM 375 CB PRO A 827 8.411 -6.433 -8.755 1.00 0.03 C ATOM 376 CG PRO A 827 6.963 -6.216 -8.482 1.00 0.03 C ATOM 377 CD PRO A 827 6.808 -4.746 -8.198 1.00 0.03 C ATOM 0 HA PRO A 827 9.920 -4.881 -9.245 1.00 0.03 H new ATOM 0 HB2 PRO A 827 8.566 -7.297 -9.401 1.00 0.03 H new ATOM 0 HB3 PRO A 827 8.963 -6.620 -7.834 1.00 0.03 H new ATOM 0 HG2 PRO A 827 6.356 -6.514 -9.337 1.00 0.03 H new ATOM 0 HG3 PRO A 827 6.633 -6.814 -7.633 1.00 0.03 H new ATOM 0 HD2 PRO A 827 5.867 -4.360 -8.591 1.00 0.03 H new ATOM 0 HD3 PRO A 827 6.814 -4.543 -7.127 1.00 0.03 H new ATOM 385 N LEU A 828 9.125 -4.294 -11.615 1.00 0.03 N ATOM 386 CA LEU A 828 9.228 -4.357 -13.181 1.00 0.03 C ATOM 387 C LEU A 828 10.412 -5.121 -13.547 1.00 0.03 C ATOM 388 O LEU A 828 10.197 -6.042 -14.237 1.00 0.03 O ATOM 389 CB LEU A 828 9.256 -2.825 -13.788 1.00 0.03 C ATOM 390 CG LEU A 828 8.093 -2.074 -13.270 1.00 0.03 C ATOM 391 CD1 LEU A 828 8.262 -0.198 -13.705 1.00 0.03 C ATOM 392 CD2 LEU A 828 6.485 -2.686 -13.955 1.00 0.03 C ATOM 0 H LEU A 828 9.343 -3.384 -11.210 1.00 0.03 H new ATOM 0 HA LEU A 828 8.361 -4.861 -13.609 1.00 0.03 H new ATOM 0 HB2 LEU A 828 10.182 -2.326 -13.504 1.00 0.03 H new ATOM 0 HB3 LEU A 828 9.230 -2.852 -14.877 1.00 0.03 H new ATOM 0 HG LEU A 828 8.086 -2.225 -12.190 1.00 0.03 H new ATOM 0 HD11 LEU A 828 7.399 0.344 -13.318 1.00 0.03 H new ATOM 0 HD12 LEU A 828 9.172 0.199 -13.255 1.00 0.03 H new ATOM 0 HD13 LEU A 828 8.310 -0.078 -14.787 1.00 0.03 H new ATOM 0 HD21 LEU A 828 5.666 -2.099 -13.540 1.00 0.03 H new ATOM 0 HD22 LEU A 828 6.490 -2.586 -15.040 1.00 0.03 H new ATOM 0 HD23 LEU A 828 6.351 -3.734 -13.688 1.00 0.03 H new ATOM 404 N ALA A 829 11.558 -4.491 -13.427 1.00 0.04 N ATOM 405 CA ALA A 829 12.705 -5.014 -13.914 1.00 0.04 C ATOM 406 C ALA A 829 13.238 -5.899 -12.737 1.00 0.04 C ATOM 407 O ALA A 829 13.847 -6.889 -13.012 1.00 0.04 O ATOM 408 CB ALA A 829 13.781 -3.835 -14.443 1.00 0.04 C ATOM 0 H ALA A 829 11.667 -3.585 -12.970 1.00 0.04 H new ATOM 0 HA ALA A 829 12.556 -5.606 -14.817 1.00 0.04 H new ATOM 0 HB1 ALA A 829 14.684 -4.311 -14.824 1.00 0.04 H new ATOM 0 HB2 ALA A 829 13.317 -3.249 -15.237 1.00 0.04 H new ATOM 0 HB3 ALA A 829 14.040 -3.179 -13.612 1.00 0.04 H new ATOM 414 N ASP A 830 13.225 -5.318 -11.570 1.00 0.04 N ATOM 415 CA ASP A 830 13.725 -5.985 -10.377 1.00 0.04 C ATOM 416 C ASP A 830 15.215 -6.275 -10.491 1.00 0.04 C ATOM 417 O ASP A 830 15.994 -5.617 -11.290 1.00 0.04 O ATOM 418 CB ASP A 830 13.004 -7.232 -10.174 1.00 0.04 C ATOM 419 CG ASP A 830 12.869 -7.587 -8.701 1.00 0.04 C ATOM 420 OD1 ASP A 830 13.816 -8.108 -8.082 1.00 0.04 O ATOM 421 OD2 ASP A 830 11.800 -7.278 -8.082 1.00 0.03 O ATOM 0 H ASP A 830 12.872 -4.375 -11.408 1.00 0.04 H new ATOM 0 HA ASP A 830 13.568 -5.321 -9.527 1.00 0.04 H new ATOM 0 HB2 ASP A 830 12.012 -7.152 -10.619 1.00 0.04 H new ATOM 0 HB3 ASP A 830 13.522 -8.038 -10.694 1.00 0.04 H new ATOM 426 N LYS A 831 15.720 -7.028 -9.646 1.00 0.04 N ATOM 427 CA LYS A 831 17.110 -7.382 -9.670 1.00 0.04 C ATOM 428 C LYS A 831 17.247 -8.947 -9.188 1.00 0.04 C ATOM 429 O LYS A 831 18.435 -9.357 -8.939 1.00 0.04 O ATOM 430 CB LYS A 831 18.018 -6.400 -8.664 1.00 0.04 C ATOM 431 CG LYS A 831 17.149 -6.181 -7.150 1.00 0.04 C ATOM 432 CD LYS A 831 17.196 -7.581 -6.276 1.00 0.04 C ATOM 433 CE LYS A 831 18.916 -8.019 -5.718 1.00 0.04 C ATOM 434 NZ LYS A 831 19.328 -9.205 -6.338 1.00 0.04 N ATOM 0 H LYS A 831 15.196 -7.449 -8.879 1.00 0.04 H new ATOM 0 HA LYS A 831 17.491 -7.250 -10.683 1.00 0.04 H new ATOM 0 HB2 LYS A 831 18.993 -6.850 -8.478 1.00 0.04 H new ATOM 0 HB3 LYS A 831 18.197 -5.436 -9.139 1.00 0.04 H new ATOM 0 HG2 LYS A 831 17.595 -5.368 -6.577 1.00 0.04 H new ATOM 0 HG3 LYS A 831 16.115 -5.900 -7.350 1.00 0.04 H new ATOM 0 HD2 LYS A 831 16.549 -7.483 -5.404 1.00 0.04 H new ATOM 0 HD3 LYS A 831 16.795 -8.395 -6.880 1.00 0.04 H new ATOM 0 HE2 LYS A 831 19.605 -7.211 -5.964 1.00 0.04 H new ATOM 0 HE3 LYS A 831 18.938 -8.138 -4.635 1.00 0.04 H new ATOM 0 HZ1 LYS A 831 20.308 -9.418 -6.063 1.00 0.04 H new ATOM 0 HZ2 LYS A 831 18.707 -9.985 -6.042 1.00 0.04 H new ATOM 0 HZ3 LYS A 831 19.275 -9.093 -7.371 1.00 0.04 H new ATOM 448 N SER A 832 16.170 -9.581 -9.202 1.00 0.04 N ATOM 449 CA SER A 832 16.120 -11.030 -8.906 1.00 0.04 C ATOM 450 C SER A 832 16.365 -11.254 -7.438 1.00 0.04 C ATOM 451 O SER A 832 17.532 -11.366 -6.953 1.00 0.04 O ATOM 452 CB SER A 832 17.198 -11.857 -9.782 1.00 0.04 C ATOM 453 OG SER A 832 17.043 -13.255 -9.565 1.00 0.04 O ATOM 0 H SER A 832 15.264 -9.162 -9.413 1.00 0.04 H new ATOM 0 HA SER A 832 15.129 -11.396 -9.174 1.00 0.04 H new ATOM 0 HB2 SER A 832 17.068 -11.630 -10.840 1.00 0.04 H new ATOM 0 HB3 SER A 832 18.208 -11.550 -9.512 1.00 0.04 H new ATOM 0 HG SER A 832 17.701 -13.744 -10.102 1.00 0.04 H new ATOM 459 N LEU A 833 15.268 -11.456 -6.705 1.00 0.04 N ATOM 460 CA LEU A 833 15.323 -11.771 -5.246 1.00 0.04 C ATOM 461 C LEU A 833 14.006 -12.196 -4.817 1.00 0.04 C ATOM 462 O LEU A 833 13.284 -11.213 -4.131 1.00 0.04 O ATOM 463 CB LEU A 833 15.879 -10.457 -4.539 1.00 0.04 C ATOM 464 CG LEU A 833 16.184 -10.740 -3.039 1.00 0.04 C ATOM 465 CD1 LEU A 833 17.529 -11.956 -2.774 1.00 0.04 C ATOM 466 CD2 LEU A 833 16.662 -9.287 -2.236 1.00 0.04 C ATOM 0 H LEU A 833 14.322 -11.410 -7.084 1.00 0.04 H new ATOM 0 HA LEU A 833 15.985 -12.596 -4.983 1.00 0.04 H new ATOM 0 HB2 LEU A 833 16.784 -10.119 -5.044 1.00 0.04 H new ATOM 0 HB3 LEU A 833 15.148 -9.653 -4.623 1.00 0.04 H new ATOM 0 HG LEU A 833 15.257 -11.149 -2.636 1.00 0.04 H new ATOM 0 HD11 LEU A 833 17.683 -12.101 -1.705 1.00 0.04 H new ATOM 0 HD12 LEU A 833 17.256 -12.906 -3.233 1.00 0.04 H new ATOM 0 HD13 LEU A 833 18.449 -11.585 -3.226 1.00 0.04 H new ATOM 0 HD21 LEU A 833 16.872 -9.502 -1.188 1.00 0.04 H new ATOM 0 HD22 LEU A 833 17.558 -8.887 -2.710 1.00 0.04 H new ATOM 0 HD23 LEU A 833 15.858 -8.554 -2.302 1.00 0.04 H new ATOM 478 N ARG A 834 13.657 -13.375 -4.827 1.00 0.04 N ATOM 479 CA ARG A 834 12.385 -13.824 -4.269 1.00 0.04 C ATOM 480 C ARG A 834 12.605 -15.267 -3.541 1.00 0.04 C ATOM 481 O ARG A 834 12.669 -15.238 -2.414 1.00 0.04 O ATOM 482 CB ARG A 834 11.331 -13.889 -5.436 1.00 0.04 C ATOM 483 CG ARG A 834 9.696 -13.076 -5.081 1.00 0.03 C ATOM 484 CD ARG A 834 9.674 -11.652 -5.902 1.00 0.03 C ATOM 485 NE ARG A 834 10.935 -10.839 -5.574 1.00 0.03 N ATOM 486 CZ ARG A 834 11.265 -9.826 -6.220 1.00 0.03 C ATOM 487 NH1 ARG A 834 10.506 -9.441 -7.268 1.00 0.03 N ATOM 488 NH2 ARG A 834 12.310 -9.158 -5.973 1.00 0.04 N ATOM 0 H ARG A 834 14.223 -14.125 -5.222 1.00 0.04 H new ATOM 0 HA ARG A 834 12.010 -13.134 -3.513 1.00 0.04 H new ATOM 0 HB2 ARG A 834 11.765 -13.423 -6.321 1.00 0.04 H new ATOM 0 HB3 ARG A 834 11.151 -14.935 -5.683 1.00 0.04 H new ATOM 0 HG2 ARG A 834 8.872 -13.715 -5.397 1.00 0.03 H new ATOM 0 HG3 ARG A 834 9.575 -12.905 -4.011 1.00 0.03 H new ATOM 0 HD2 ARG A 834 9.622 -11.841 -6.974 1.00 0.03 H new ATOM 0 HD3 ARG A 834 8.784 -11.082 -5.635 1.00 0.03 H new ATOM 0 HE ARG A 834 11.525 -11.140 -4.798 1.00 0.03 H new ATOM 0 HH11 ARG A 834 9.676 -9.977 -7.521 1.00 0.03 H new ATOM 0 HH12 ARG A 834 10.763 -8.614 -7.807 1.00 0.03 H new ATOM 0 HH21 ARG A 834 12.929 -9.442 -5.214 1.00 0.04 H new ATOM 0 HH22 ARG A 834 12.534 -8.336 -6.533 1.00 0.04 H new ATOM 502 N ASN A 835 12.478 -16.402 -4.381 1.00 0.04 N ATOM 503 CA ASN A 835 12.443 -17.662 -3.888 1.00 0.04 C ATOM 504 C ASN A 835 11.476 -17.699 -2.656 1.00 0.04 C ATOM 505 O ASN A 835 10.409 -17.551 -2.573 1.00 0.04 O ATOM 506 CB ASN A 835 13.988 -17.986 -3.686 1.00 0.04 C ATOM 507 CG ASN A 835 14.775 -17.726 -4.926 1.00 0.04 C ATOM 508 OD1 ASN A 835 15.197 -16.537 -5.097 1.00 0.04 O ATOM 509 ND2 ASN A 835 14.982 -18.671 -5.712 1.00 0.04 N ATOM 0 H ASN A 835 12.405 -16.349 -5.397 1.00 0.04 H new ATOM 0 HA ASN A 835 12.017 -18.453 -4.505 1.00 0.04 H new ATOM 0 HB2 ASN A 835 14.383 -17.380 -2.871 1.00 0.04 H new ATOM 0 HB3 ASN A 835 14.105 -19.029 -3.393 1.00 0.04 H new ATOM 0 HD21 ASN A 835 15.524 -18.518 -6.562 1.00 0.04 H new ATOM 0 HD22 ASN A 835 14.610 -19.598 -5.505 1.00 0.04 H new ATOM 516 N LEU A 836 12.226 -18.239 -1.531 1.00 0.04 N ATOM 517 CA LEU A 836 11.633 -18.450 -0.242 1.00 0.04 C ATOM 518 C LEU A 836 12.189 -17.377 0.725 1.00 0.04 C ATOM 519 O LEU A 836 12.381 -17.976 1.928 1.00 0.04 O ATOM 520 CB LEU A 836 11.951 -19.946 0.240 1.00 0.04 C ATOM 521 CG LEU A 836 11.300 -21.017 -0.776 1.00 0.04 C ATOM 522 CD1 LEU A 836 11.712 -22.601 -0.302 1.00 0.04 C ATOM 523 CD2 LEU A 836 9.478 -20.968 -0.901 1.00 0.04 C ATOM 0 H LEU A 836 13.211 -18.500 -1.583 1.00 0.04 H new ATOM 0 HA LEU A 836 10.548 -18.347 -0.272 1.00 0.04 H new ATOM 0 HB2 LEU A 836 13.029 -20.096 0.294 1.00 0.04 H new ATOM 0 HB3 LEU A 836 11.557 -20.102 1.244 1.00 0.04 H new ATOM 0 HG LEU A 836 11.708 -20.740 -1.748 1.00 0.04 H new ATOM 0 HD11 LEU A 836 11.267 -23.315 -0.995 1.00 0.04 H new ATOM 0 HD12 LEU A 836 12.796 -22.713 -0.311 1.00 0.04 H new ATOM 0 HD13 LEU A 836 11.336 -22.789 0.704 1.00 0.04 H new ATOM 0 HD21 LEU A 836 9.141 -21.726 -1.608 1.00 0.04 H new ATOM 0 HD22 LEU A 836 9.041 -21.165 0.078 1.00 0.04 H new ATOM 0 HD23 LEU A 836 9.163 -19.983 -1.247 1.00 0.04 H new ATOM 535 N MET A 837 12.330 -16.351 0.413 1.00 0.04 N ATOM 536 CA MET A 837 12.847 -15.342 1.291 1.00 0.04 C ATOM 537 C MET A 837 11.792 -14.962 2.375 1.00 0.04 C ATOM 538 O MET A 837 10.953 -14.072 2.154 1.00 0.04 O ATOM 539 CB MET A 837 13.237 -14.123 0.499 1.00 0.04 C ATOM 540 CG MET A 837 14.429 -13.227 1.269 1.00 0.04 C ATOM 541 SD MET A 837 14.685 -11.632 0.534 1.00 0.04 S ATOM 542 CE MET A 837 16.130 -11.077 1.405 1.00 0.04 C ATOM 0 HA MET A 837 13.729 -15.739 1.794 1.00 0.04 H new ATOM 0 HB2 MET A 837 13.592 -14.429 -0.485 1.00 0.04 H new ATOM 0 HB3 MET A 837 12.359 -13.497 0.341 1.00 0.04 H new ATOM 0 HG2 MET A 837 14.158 -13.098 2.317 1.00 0.04 H new ATOM 0 HG3 MET A 837 15.365 -13.785 1.248 1.00 0.04 H new ATOM 0 HE1 MET A 837 16.411 -10.086 1.049 1.00 0.04 H new ATOM 0 HE2 MET A 837 15.916 -11.032 2.473 1.00 0.04 H new ATOM 0 HE3 MET A 837 16.951 -11.772 1.228 1.00 0.04 H new ATOM 552 N ALA A 838 11.899 -15.520 3.499 1.00 0.04 N ATOM 553 CA ALA A 838 10.935 -15.241 4.628 1.00 0.04 C ATOM 554 C ALA A 838 11.367 -13.907 5.345 1.00 0.04 C ATOM 555 O ALA A 838 12.176 -13.217 4.972 1.00 0.04 O ATOM 556 CB ALA A 838 10.894 -16.594 5.630 1.00 0.04 C ATOM 0 H ALA A 838 12.631 -16.191 3.731 1.00 0.04 H new ATOM 0 HA ALA A 838 9.915 -15.079 4.280 1.00 0.04 H new ATOM 0 HB1 ALA A 838 10.203 -16.416 6.454 1.00 0.04 H new ATOM 0 HB2 ALA A 838 10.561 -17.460 5.058 1.00 0.04 H new ATOM 0 HB3 ALA A 838 11.891 -16.783 6.027 1.00 0.04 H new ATOM 562 N ALA A 839 10.736 -13.799 6.624 1.00 0.04 N ATOM 563 CA ALA A 839 10.998 -12.692 7.496 1.00 0.04 C ATOM 564 C ALA A 839 10.653 -11.373 6.708 1.00 0.04 C ATOM 565 O ALA A 839 11.659 -10.503 6.690 1.00 0.04 O ATOM 566 CB ALA A 839 12.589 -12.756 8.064 1.00 0.04 C ATOM 0 H ALA A 839 10.075 -14.482 6.994 1.00 0.04 H new ATOM 0 HA ALA A 839 10.375 -12.724 8.390 1.00 0.04 H new ATOM 0 HB1 ALA A 839 12.774 -11.909 8.725 1.00 0.04 H new ATOM 0 HB2 ALA A 839 12.742 -13.685 8.613 1.00 0.04 H new ATOM 0 HB3 ALA A 839 13.278 -12.715 7.221 1.00 0.04 H new ATOM 572 N HIS A 840 9.594 -11.221 6.252 1.00 0.04 N ATOM 573 CA HIS A 840 9.224 -9.989 5.534 1.00 0.04 C ATOM 574 C HIS A 840 7.940 -9.373 6.125 1.00 0.04 C ATOM 575 O HIS A 840 6.828 -9.862 5.853 1.00 0.04 O ATOM 576 CB HIS A 840 9.031 -10.298 4.018 1.00 0.04 C ATOM 577 CG HIS A 840 10.333 -10.492 3.297 1.00 0.04 C ATOM 578 ND1 HIS A 840 11.565 -10.356 3.901 1.00 0.04 N ATOM 579 CD2 HIS A 840 10.573 -10.827 2.015 1.00 0.04 C ATOM 580 CE1 HIS A 840 12.513 -10.583 3.007 1.00 0.04 C ATOM 581 NE2 HIS A 840 11.935 -10.877 1.858 1.00 0.04 N ATOM 0 H HIS A 840 8.847 -11.913 6.309 1.00 0.04 H new ATOM 0 HA HIS A 840 10.030 -9.264 5.650 1.00 0.04 H new ATOM 0 HB2 HIS A 840 8.422 -11.196 3.909 1.00 0.04 H new ATOM 0 HB3 HIS A 840 8.480 -9.481 3.552 1.00 0.04 H new ATOM 0 HD1 HIS A 840 11.720 -10.118 4.881 1.00 0.04 H new ATOM 0 HD2 HIS A 840 9.832 -11.020 1.253 1.00 0.04 H new ATOM 0 HE1 HIS A 840 13.577 -10.536 3.187 1.00 0.04 H new ATOM 0 HE2 HIS A 840 12.423 -11.105 0.992 1.00 0.04 H new ATOM 590 N SER A 841 8.083 -8.390 6.817 1.00 0.04 N ATOM 591 CA SER A 841 6.905 -7.676 7.471 1.00 0.04 C ATOM 592 C SER A 841 6.219 -6.803 6.403 1.00 0.04 C ATOM 593 O SER A 841 6.624 -5.570 6.282 1.00 0.04 O ATOM 594 CB SER A 841 7.444 -6.764 8.810 1.00 0.04 C ATOM 595 OG SER A 841 8.685 -6.142 8.496 1.00 0.04 O ATOM 0 H SER A 841 8.989 -7.966 7.016 1.00 0.04 H new ATOM 0 HA SER A 841 6.177 -8.392 7.853 1.00 0.04 H new ATOM 0 HB2 SER A 841 6.703 -6.008 9.070 1.00 0.04 H new ATOM 0 HB3 SER A 841 7.560 -7.410 9.680 1.00 0.04 H new ATOM 0 HG SER A 841 8.992 -5.618 9.265 1.00 0.04 H new ATOM 601 N ALA A 842 5.134 -7.267 5.967 1.00 0.03 N ATOM 602 CA ALA A 842 4.213 -6.434 5.018 1.00 0.03 C ATOM 603 C ALA A 842 2.721 -6.647 5.269 1.00 0.03 C ATOM 604 O ALA A 842 2.529 -7.978 4.798 1.00 0.03 O ATOM 605 CB ALA A 842 4.674 -6.896 3.538 1.00 0.03 C ATOM 0 H ALA A 842 4.779 -8.197 6.192 1.00 0.03 H new ATOM 0 HA ALA A 842 4.327 -5.362 5.179 1.00 0.03 H new ATOM 0 HB1 ALA A 842 4.084 -6.365 2.791 1.00 0.03 H new ATOM 0 HB2 ALA A 842 5.730 -6.665 3.397 1.00 0.03 H new ATOM 0 HB3 ALA A 842 4.519 -7.969 3.427 1.00 0.03 H new ATOM 611 N ASP A 843 2.041 -5.868 5.311 1.00 0.03 N ATOM 612 CA ASP A 843 0.590 -6.106 5.348 1.00 0.03 C ATOM 613 C ASP A 843 -0.039 -5.958 3.959 1.00 0.03 C ATOM 614 O ASP A 843 -0.198 -4.885 3.380 1.00 0.03 O ATOM 615 CB ASP A 843 -0.073 -5.136 6.305 1.00 0.03 C ATOM 616 CG ASP A 843 -1.382 -5.677 6.810 1.00 0.03 C ATOM 617 OD1 ASP A 843 -1.725 -6.773 6.329 1.00 0.03 O ATOM 618 OD2 ASP A 843 -2.047 -5.016 7.621 1.00 0.03 O ATOM 0 HA ASP A 843 0.432 -7.129 5.690 1.00 0.03 H new ATOM 0 HB2 ASP A 843 0.591 -4.941 7.147 1.00 0.03 H new ATOM 0 HB3 ASP A 843 -0.240 -4.183 5.803 1.00 0.03 H new ATOM 623 N LEU A 844 -0.450 -7.041 3.461 1.00 0.03 N ATOM 624 CA LEU A 844 -1.143 -7.099 2.155 1.00 0.03 C ATOM 625 C LEU A 844 -2.718 -6.835 2.434 1.00 0.03 C ATOM 626 O LEU A 844 -3.349 -6.692 1.296 1.00 0.03 O ATOM 627 CB LEU A 844 -0.734 -8.609 1.470 1.00 0.03 C ATOM 628 CG LEU A 844 -1.720 -8.935 0.323 1.00 0.03 C ATOM 629 CD1 LEU A 844 -1.377 -8.122 -1.151 1.00 0.03 C ATOM 630 CD2 LEU A 844 -1.666 -10.577 -0.031 1.00 0.03 C ATOM 0 H LEU A 844 -0.338 -7.948 3.913 1.00 0.03 H new ATOM 0 HA LEU A 844 -0.850 -6.341 1.429 1.00 0.03 H new ATOM 0 HB2 LEU A 844 0.288 -8.584 1.091 1.00 0.03 H new ATOM 0 HB3 LEU A 844 -0.773 -9.389 2.231 1.00 0.03 H new ATOM 0 HG LEU A 844 -2.693 -8.607 0.689 1.00 0.03 H new ATOM 0 HD11 LEU A 844 -2.114 -8.405 -1.903 1.00 0.03 H new ATOM 0 HD12 LEU A 844 -1.418 -7.045 -0.990 1.00 0.03 H new ATOM 0 HD13 LEU A 844 -0.381 -8.400 -1.497 1.00 0.03 H new ATOM 0 HD21 LEU A 844 -2.363 -10.798 -0.839 1.00 0.03 H new ATOM 0 HD22 LEU A 844 -0.656 -10.850 -0.338 1.00 0.03 H new ATOM 0 HD23 LEU A 844 -1.944 -11.149 0.854 1.00 0.03 H new ATOM 642 N LYS A 845 -3.056 -7.044 3.334 1.00 0.03 N ATOM 643 CA LYS A 845 -4.480 -6.993 3.661 1.00 0.03 C ATOM 644 C LYS A 845 -4.792 -5.734 4.549 1.00 0.03 C ATOM 645 O LYS A 845 -4.148 -4.744 4.467 1.00 0.03 O ATOM 646 CB LYS A 845 -4.934 -8.316 4.449 1.00 0.03 C ATOM 647 CG LYS A 845 -3.937 -8.533 5.772 1.00 0.03 C ATOM 648 CD LYS A 845 -4.806 -8.669 7.156 1.00 0.03 C ATOM 649 CE LYS A 845 -3.842 -8.776 8.435 1.00 0.03 C ATOM 650 NZ LYS A 845 -3.207 -7.574 8.541 1.00 0.03 N ATOM 0 HA LYS A 845 -5.034 -6.928 2.725 1.00 0.03 H new ATOM 0 HB2 LYS A 845 -5.971 -8.225 4.771 1.00 0.03 H new ATOM 0 HB3 LYS A 845 -4.880 -9.183 3.791 1.00 0.03 H new ATOM 0 HG2 LYS A 845 -3.331 -9.428 5.631 1.00 0.03 H new ATOM 0 HG3 LYS A 845 -3.249 -7.692 5.853 1.00 0.03 H new ATOM 0 HD2 LYS A 845 -5.463 -7.806 7.263 1.00 0.03 H new ATOM 0 HD3 LYS A 845 -5.444 -9.551 7.103 1.00 0.03 H new ATOM 0 HE2 LYS A 845 -4.415 -8.993 9.336 1.00 0.03 H new ATOM 0 HE3 LYS A 845 -3.123 -9.586 8.312 1.00 0.03 H new ATOM 0 HZ1 LYS A 845 -2.813 -7.473 9.498 1.00 0.03 H new ATOM 0 HZ2 LYS A 845 -2.438 -7.525 7.843 1.00 0.03 H new ATOM 0 HZ3 LYS A 845 -3.885 -6.806 8.363 1.00 0.03 H new ATOM 664 N CYS A 846 -5.994 -5.761 5.227 1.00 0.03 N ATOM 665 CA CYS A 846 -6.464 -4.632 6.005 1.00 0.03 C ATOM 666 C CYS A 846 -5.774 -4.603 7.370 1.00 0.03 C ATOM 667 O CYS A 846 -5.272 -5.631 7.830 1.00 0.03 O ATOM 668 CB CYS A 846 -7.982 -4.752 6.179 1.00 0.03 C ATOM 669 SG CYS A 846 -8.594 -6.470 6.306 1.00 0.03 S ATOM 0 H CYS A 846 -6.625 -6.562 5.229 1.00 0.03 H new ATOM 0 HA CYS A 846 -6.226 -3.704 5.486 1.00 0.03 H new ATOM 0 HB2 CYS A 846 -8.277 -4.207 7.076 1.00 0.03 H new ATOM 0 HB3 CYS A 846 -8.472 -4.266 5.335 1.00 0.03 H new ATOM 674 N PRO A 847 -5.731 -3.434 8.032 1.00 0.03 N ATOM 675 CA PRO A 847 -5.109 -3.302 9.355 1.00 0.03 C ATOM 676 C PRO A 847 -5.864 -4.077 10.439 1.00 0.04 C ATOM 677 O PRO A 847 -5.338 -4.307 11.530 1.00 0.04 O ATOM 678 CB PRO A 847 -5.172 -1.799 9.637 1.00 0.03 C ATOM 679 CG PRO A 847 -6.260 -1.284 8.762 1.00 0.03 C ATOM 680 CD PRO A 847 -6.250 -2.149 7.534 1.00 0.03 C ATOM 0 HA PRO A 847 -4.098 -3.709 9.365 1.00 0.03 H new ATOM 0 HB2 PRO A 847 -5.386 -1.604 10.688 1.00 0.03 H new ATOM 0 HB3 PRO A 847 -4.222 -1.315 9.410 1.00 0.03 H new ATOM 0 HG2 PRO A 847 -7.224 -1.336 9.267 1.00 0.03 H new ATOM 0 HG3 PRO A 847 -6.091 -0.239 8.504 1.00 0.03 H new ATOM 0 HD2 PRO A 847 -7.248 -2.255 7.108 1.00 0.03 H new ATOM 0 HD3 PRO A 847 -5.613 -1.733 6.753 1.00 0.03 H new ATOM 688 N THR A 848 -7.095 -4.470 10.135 1.00 0.04 N ATOM 689 CA THR A 848 -7.921 -5.218 11.071 1.00 0.04 C ATOM 690 C THR A 848 -7.336 -6.610 11.330 1.00 0.04 C ATOM 691 O THR A 848 -7.235 -7.423 10.414 1.00 0.04 O ATOM 692 CB THR A 848 -9.354 -5.359 10.522 1.00 0.04 C ATOM 693 OG1 THR A 848 -9.654 -4.252 9.661 1.00 0.04 O ATOM 694 CG2 THR A 848 -10.371 -5.419 11.656 1.00 0.04 C ATOM 0 H THR A 848 -7.545 -4.280 9.239 1.00 0.04 H new ATOM 0 HA THR A 848 -7.943 -4.667 12.011 1.00 0.04 H new ATOM 0 HB THR A 848 -9.414 -6.290 9.958 1.00 0.04 H new ATOM 0 HG1 THR A 848 -10.395 -4.492 9.066 1.00 0.04 H new ATOM 0 HG21 THR A 848 -11.374 -5.518 11.241 1.00 0.04 H new ATOM 0 HG22 THR A 848 -10.155 -6.277 12.293 1.00 0.04 H new ATOM 0 HG23 THR A 848 -10.312 -4.505 12.246 1.00 0.04 H new ATOM 702 N PRO A 849 -6.933 -6.895 12.586 1.00 0.04 N ATOM 703 CA PRO A 849 -6.341 -8.191 12.960 1.00 0.04 C ATOM 704 C PRO A 849 -7.292 -9.372 12.769 1.00 0.04 C ATOM 705 O PRO A 849 -6.876 -10.442 12.328 1.00 0.04 O ATOM 706 CB PRO A 849 -6.003 -8.025 14.448 1.00 0.04 C ATOM 707 CG PRO A 849 -6.020 -6.557 14.703 1.00 0.04 C ATOM 708 CD PRO A 849 -7.004 -5.975 13.733 1.00 0.04 C ATOM 0 HA PRO A 849 -5.482 -8.421 12.329 1.00 0.04 H new ATOM 0 HB2 PRO A 849 -6.731 -8.540 15.075 1.00 0.04 H new ATOM 0 HB3 PRO A 849 -5.026 -8.451 14.678 1.00 0.04 H new ATOM 0 HG2 PRO A 849 -6.314 -6.344 15.731 1.00 0.04 H new ATOM 0 HG3 PRO A 849 -5.030 -6.125 14.559 1.00 0.04 H new ATOM 0 HD2 PRO A 849 -8.008 -5.934 14.154 1.00 0.04 H new ATOM 0 HD3 PRO A 849 -6.736 -4.957 13.450 1.00 0.04 H new ATOM 716 N GLY A 850 -8.563 -9.178 13.106 1.00 0.04 N ATOM 717 CA GLY A 850 -9.544 -10.240 12.964 1.00 0.04 C ATOM 718 C GLY A 850 -9.834 -10.572 11.514 1.00 0.04 C ATOM 719 O GLY A 850 -10.075 -11.732 11.164 1.00 0.04 O ATOM 0 H GLY A 850 -8.932 -8.302 13.476 1.00 0.04 H new ATOM 0 HA2 GLY A 850 -9.183 -11.134 13.473 1.00 0.04 H new ATOM 0 HA3 GLY A 850 -10.470 -9.944 13.458 1.00 0.04 H new ATOM 723 N CYS A 851 -9.799 -9.548 10.672 1.00 0.04 N ATOM 724 CA CYS A 851 -10.052 -9.702 9.247 1.00 0.04 C ATOM 725 C CYS A 851 -8.805 -10.243 8.557 1.00 0.03 C ATOM 726 O CYS A 851 -7.698 -10.108 9.076 1.00 0.03 O ATOM 727 CB CYS A 851 -10.444 -8.337 8.657 1.00 0.03 C ATOM 728 SG CYS A 851 -10.944 -8.327 6.903 1.00 0.03 S ATOM 0 H CYS A 851 -9.595 -8.590 10.957 1.00 0.04 H new ATOM 0 HA CYS A 851 -10.867 -10.408 9.089 1.00 0.04 H new ATOM 0 HB2 CYS A 851 -11.265 -7.932 9.249 1.00 0.03 H new ATOM 0 HB3 CYS A 851 -9.600 -7.658 8.776 1.00 0.03 H new ATOM 733 N ASP A 852 -8.984 -10.852 7.398 1.00 0.03 N ATOM 734 CA ASP A 852 -7.858 -11.397 6.646 1.00 0.03 C ATOM 735 C ASP A 852 -7.696 -10.660 5.320 1.00 0.03 C ATOM 736 O ASP A 852 -6.685 -10.815 4.633 1.00 0.03 O ATOM 737 CB ASP A 852 -8.034 -12.900 6.405 1.00 0.03 C ATOM 738 CG ASP A 852 -8.675 -13.213 5.073 1.00 0.03 C ATOM 739 OD1 ASP A 852 -9.886 -12.964 4.921 1.00 0.03 O ATOM 740 OD2 ASP A 852 -7.970 -13.708 4.171 1.00 0.03 O ATOM 0 H ASP A 852 -9.893 -10.983 6.955 1.00 0.03 H new ATOM 0 HA ASP A 852 -6.954 -11.253 7.238 1.00 0.03 H new ATOM 0 HB2 ASP A 852 -7.060 -13.387 6.457 1.00 0.03 H new ATOM 0 HB3 ASP A 852 -8.644 -13.321 7.204 1.00 0.03 H new ATOM 745 N GLY A 853 -8.691 -9.854 4.972 1.00 0.03 N ATOM 746 CA GLY A 853 -8.633 -9.097 3.737 1.00 0.03 C ATOM 747 C GLY A 853 -9.496 -9.692 2.638 1.00 0.03 C ATOM 748 O GLY A 853 -9.803 -9.019 1.651 1.00 0.03 O ATOM 0 H GLY A 853 -9.537 -9.711 5.523 1.00 0.03 H new ATOM 0 HA2 GLY A 853 -8.953 -8.073 3.929 1.00 0.03 H new ATOM 0 HA3 GLY A 853 -7.599 -9.049 3.394 1.00 0.03 H new ATOM 752 N SER A 854 -9.888 -10.945 2.799 1.00 0.03 N ATOM 753 CA SER A 854 -10.716 -11.613 1.809 1.00 0.03 C ATOM 754 C SER A 854 -12.188 -11.363 2.107 1.00 0.03 C ATOM 755 O SER A 854 -12.589 -11.269 3.270 1.00 0.03 O ATOM 756 CB SER A 854 -10.428 -13.114 1.800 1.00 0.03 C ATOM 757 OG SER A 854 -9.031 -13.365 1.730 1.00 0.03 O ATOM 0 H SER A 854 -9.646 -11.520 3.606 1.00 0.03 H new ATOM 0 HA SER A 854 -10.480 -11.208 0.825 1.00 0.03 H new ATOM 0 HB2 SER A 854 -10.839 -13.572 2.700 1.00 0.03 H new ATOM 0 HB3 SER A 854 -10.927 -13.578 0.950 1.00 0.03 H new ATOM 0 HG SER A 854 -8.638 -13.278 2.623 1.00 0.03 H new ATOM 763 N GLY A 855 -12.864 -11.076 1.013 1.00 0.03 N ATOM 764 CA GLY A 855 -14.266 -10.849 1.055 1.00 0.03 C ATOM 765 C GLY A 855 -14.587 -9.460 1.545 1.00 0.03 C ATOM 766 O GLY A 855 -13.758 -8.825 2.200 1.00 0.03 O ATOM 0 H GLY A 855 -12.448 -10.998 0.085 1.00 0.03 H new ATOM 0 HA2 GLY A 855 -14.689 -10.992 0.060 1.00 0.03 H new ATOM 0 HA3 GLY A 855 -14.735 -11.584 1.709 1.00 0.03 H new ATOM 770 N HIS A 856 -15.737 -8.962 1.184 1.00 0.03 N ATOM 771 CA HIS A 856 -16.147 -7.652 1.636 1.00 0.03 C ATOM 772 C HIS A 856 -17.419 -7.717 2.464 1.00 0.03 C ATOM 773 O HIS A 856 -18.048 -8.781 2.575 1.00 0.04 O ATOM 774 CB HIS A 856 -16.350 -6.775 0.408 1.00 0.03 C ATOM 775 CG HIS A 856 -15.357 -5.668 0.297 1.00 0.03 C ATOM 776 ND1 HIS A 856 -15.219 -4.755 1.296 1.00 0.04 N ATOM 777 CD2 HIS A 856 -14.501 -5.366 -0.702 1.00 0.05 C ATOM 778 CE1 HIS A 856 -14.294 -3.921 0.893 1.00 0.04 C ATOM 779 NE2 HIS A 856 -13.832 -4.246 -0.311 1.00 0.05 N ATOM 0 H HIS A 856 -16.408 -9.437 0.581 1.00 0.03 H new ATOM 0 HA HIS A 856 -15.375 -7.233 2.281 1.00 0.03 H new ATOM 0 HB2 HIS A 856 -16.291 -7.396 -0.486 1.00 0.03 H new ATOM 0 HB3 HIS A 856 -17.354 -6.351 0.436 1.00 0.03 H new ATOM 0 HD2 HIS A 856 -14.372 -5.906 -1.628 1.00 0.05 H new ATOM 0 HE1 HIS A 856 -13.949 -3.074 1.467 1.00 0.04 H new ATOM 0 HE2 HIS A 856 -13.114 -3.751 -0.840 1.00 0.05 H new ATOM 787 N ILE A 857 -17.766 -6.593 3.079 1.00 0.03 N ATOM 788 CA ILE A 857 -18.966 -6.517 3.902 1.00 0.04 C ATOM 789 C ILE A 857 -20.209 -6.848 3.067 1.00 0.04 C ATOM 790 O ILE A 857 -21.099 -7.568 3.520 1.00 0.05 O ATOM 791 CB ILE A 857 -19.108 -5.126 4.571 1.00 0.04 C ATOM 792 CG1 ILE A 857 -20.409 -5.048 5.379 1.00 0.09 C ATOM 793 CG2 ILE A 857 -19.044 -4.009 3.535 1.00 0.07 C ATOM 794 CD1 ILE A 857 -20.598 -3.736 6.112 1.00 1.22 C ATOM 0 H ILE A 857 -17.235 -5.724 3.024 1.00 0.03 H new ATOM 0 HA ILE A 857 -18.874 -7.256 4.698 1.00 0.04 H new ATOM 0 HB ILE A 857 -18.270 -4.992 5.256 1.00 0.04 H new ATOM 0 HG12 ILE A 857 -21.253 -5.202 4.706 1.00 0.09 H new ATOM 0 HG13 ILE A 857 -20.425 -5.863 6.103 1.00 0.09 H new ATOM 0 HG21 ILE A 857 -19.146 -3.045 4.033 1.00 0.07 H new ATOM 0 HG22 ILE A 857 -18.087 -4.049 3.015 1.00 0.07 H new ATOM 0 HG23 ILE A 857 -19.853 -4.133 2.815 1.00 0.07 H new ATOM 0 HD11 ILE A 857 -21.540 -3.758 6.660 1.00 1.22 H new ATOM 0 HD12 ILE A 857 -19.775 -3.588 6.811 1.00 1.22 H new ATOM 0 HD13 ILE A 857 -20.615 -2.917 5.393 1.00 1.22 H new ATOM 806 N THR A 858 -20.251 -6.334 1.836 1.00 0.04 N ATOM 807 CA THR A 858 -21.362 -6.596 0.931 1.00 0.05 C ATOM 808 C THR A 858 -21.066 -7.828 0.070 1.00 0.05 C ATOM 809 O THR A 858 -21.963 -8.417 -0.528 1.00 0.06 O ATOM 810 CB THR A 858 -21.656 -5.368 0.038 1.00 0.05 C ATOM 811 OG1 THR A 858 -22.666 -5.676 -0.925 1.00 0.06 O ATOM 812 CG2 THR A 858 -20.400 -4.889 -0.678 1.00 0.05 C ATOM 0 H THR A 858 -19.525 -5.733 1.446 1.00 0.04 H new ATOM 0 HA THR A 858 -22.250 -6.793 1.532 1.00 0.05 H new ATOM 0 HB THR A 858 -22.010 -4.569 0.689 1.00 0.05 H new ATOM 0 HG1 THR A 858 -22.345 -6.385 -1.520 1.00 0.06 H new ATOM 0 HG21 THR A 858 -20.641 -4.025 -1.297 1.00 0.05 H new ATOM 0 HG22 THR A 858 -19.646 -4.609 0.058 1.00 0.05 H new ATOM 0 HG23 THR A 858 -20.012 -5.690 -1.308 1.00 0.05 H new ATOM 820 N GLY A 859 -19.791 -8.216 0.030 1.00 0.04 N ATOM 821 CA GLY A 859 -19.383 -9.377 -0.745 1.00 0.04 C ATOM 822 C GLY A 859 -19.408 -9.130 -2.245 1.00 0.04 C ATOM 823 O GLY A 859 -19.310 -10.069 -3.032 1.00 0.05 O ATOM 0 H GLY A 859 -19.032 -7.745 0.522 1.00 0.04 H new ATOM 0 HA2 GLY A 859 -18.376 -9.670 -0.448 1.00 0.04 H new ATOM 0 HA3 GLY A 859 -20.041 -10.214 -0.509 1.00 0.04 H new ATOM 827 N ASN A 860 -19.508 -7.863 -2.643 1.00 0.04 N ATOM 828 CA ASN A 860 -19.564 -7.507 -4.066 1.00 0.04 C ATOM 829 C ASN A 860 -18.163 -7.271 -4.640 1.00 0.03 C ATOM 830 O ASN A 860 -17.994 -7.110 -5.848 1.00 0.05 O ATOM 831 CB ASN A 860 -20.428 -6.257 -4.272 1.00 0.04 C ATOM 832 CG ASN A 860 -21.909 -6.526 -4.069 1.00 0.07 C ATOM 833 OD1 ASN A 860 -22.299 -7.396 -3.293 1.00 0.21 O ATOM 834 ND2 ASN A 860 -22.748 -5.775 -4.773 1.00 0.33 N ATOM 0 H ASN A 860 -19.552 -7.067 -2.007 1.00 0.04 H new ATOM 0 HA ASN A 860 -20.013 -8.346 -4.598 1.00 0.04 H new ATOM 0 HB2 ASN A 860 -20.106 -5.480 -3.579 1.00 0.04 H new ATOM 0 HB3 ASN A 860 -20.268 -5.872 -5.279 1.00 0.04 H new ATOM 0 HD21 ASN A 860 -23.755 -5.910 -4.680 1.00 0.33 H new ATOM 0 HD22 ASN A 860 -22.386 -5.063 -5.407 1.00 0.33 H new ATOM 841 N TYR A 861 -17.181 -7.239 -3.748 1.00 0.03 N ATOM 842 CA TYR A 861 -15.789 -7.019 -4.141 1.00 0.03 C ATOM 843 C TYR A 861 -14.819 -7.860 -3.313 1.00 0.04 C ATOM 844 O TYR A 861 -15.230 -8.804 -2.630 1.00 0.07 O ATOM 845 CB TYR A 861 -15.433 -5.537 -4.010 1.00 0.04 C ATOM 846 CG TYR A 861 -16.330 -4.603 -4.800 1.00 0.04 C ATOM 847 CD1 TYR A 861 -17.536 -4.159 -4.270 1.00 0.05 C ATOM 848 CD2 TYR A 861 -15.964 -4.154 -6.061 1.00 0.05 C ATOM 849 CE1 TYR A 861 -18.348 -3.289 -4.972 1.00 0.05 C ATOM 850 CE2 TYR A 861 -16.771 -3.285 -6.771 1.00 0.06 C ATOM 851 CZ TYR A 861 -17.961 -2.857 -6.222 1.00 0.06 C ATOM 852 OH TYR A 861 -18.762 -1.985 -6.919 1.00 0.07 O ATOM 0 H TYR A 861 -17.320 -7.363 -2.745 1.00 0.03 H new ATOM 0 HA TYR A 861 -15.692 -7.330 -5.181 1.00 0.03 H new ATOM 0 HB2 TYR A 861 -15.476 -5.258 -2.957 1.00 0.04 H new ATOM 0 HB3 TYR A 861 -14.403 -5.393 -4.336 1.00 0.04 H new ATOM 0 HD1 TYR A 861 -17.844 -4.500 -3.293 1.00 0.05 H new ATOM 0 HD2 TYR A 861 -15.033 -4.489 -6.495 1.00 0.05 H new ATOM 0 HE1 TYR A 861 -19.280 -2.950 -4.544 1.00 0.05 H new ATOM 0 HE2 TYR A 861 -16.471 -2.943 -7.751 1.00 0.06 H new ATOM 0 HH TYR A 861 -18.346 -1.777 -7.782 1.00 0.07 H new ATOM 862 N ALA A 862 -13.536 -7.519 -3.394 1.00 0.03 N ATOM 863 CA ALA A 862 -12.509 -8.242 -2.660 1.00 0.04 C ATOM 864 C ALA A 862 -11.455 -7.297 -2.099 1.00 0.05 C ATOM 865 O ALA A 862 -10.966 -7.498 -0.988 1.00 0.07 O ATOM 866 CB ALA A 862 -11.847 -9.286 -3.549 1.00 0.05 C ATOM 0 H ALA A 862 -13.186 -6.747 -3.961 1.00 0.03 H new ATOM 0 HA ALA A 862 -12.998 -8.743 -1.824 1.00 0.04 H new ATOM 0 HB1 ALA A 862 -11.082 -9.815 -2.981 1.00 0.05 H new ATOM 0 HB2 ALA A 862 -12.597 -9.996 -3.897 1.00 0.05 H new ATOM 0 HB3 ALA A 862 -11.387 -8.795 -4.407 1.00 0.05 H new ATOM 872 N SER A 863 -11.114 -6.249 -2.855 1.00 0.05 N ATOM 873 CA SER A 863 -10.087 -5.290 -2.430 1.00 0.05 C ATOM 874 C SER A 863 -10.570 -4.421 -1.252 1.00 0.04 C ATOM 875 O SER A 863 -11.543 -3.681 -1.383 1.00 0.04 O ATOM 876 CB SER A 863 -9.700 -4.403 -3.623 1.00 0.06 C ATOM 877 OG SER A 863 -9.418 -3.070 -3.217 1.00 0.05 O ATOM 0 H SER A 863 -11.532 -6.042 -3.762 1.00 0.05 H new ATOM 0 HA SER A 863 -9.217 -5.848 -2.085 1.00 0.05 H new ATOM 0 HB2 SER A 863 -8.827 -4.824 -4.122 1.00 0.06 H new ATOM 0 HB3 SER A 863 -10.511 -4.398 -4.351 1.00 0.06 H new ATOM 0 HG SER A 863 -10.109 -2.469 -3.566 1.00 0.05 H new ATOM 883 N HIS A 864 -9.844 -4.501 -0.130 1.00 0.04 N ATOM 884 CA HIS A 864 -10.153 -3.743 1.111 1.00 0.03 C ATOM 885 C HIS A 864 -8.918 -3.690 1.977 1.00 0.03 C ATOM 886 O HIS A 864 -8.336 -4.720 2.309 1.00 0.04 O ATOM 887 CB HIS A 864 -11.377 -4.288 1.937 1.00 0.03 C ATOM 888 CG HIS A 864 -11.133 -5.159 3.225 1.00 0.03 C ATOM 889 ND1 HIS A 864 -11.549 -6.470 3.283 1.00 0.03 N ATOM 890 CD2 HIS A 864 -10.578 -4.886 4.486 1.00 0.03 C ATOM 891 CE1 HIS A 864 -11.270 -6.967 4.521 1.00 0.03 C ATOM 892 NE2 HIS A 864 -10.660 -6.060 5.334 1.00 0.03 N ATOM 0 H HIS A 864 -9.019 -5.094 -0.047 1.00 0.04 H new ATOM 0 HA HIS A 864 -10.455 -2.746 0.791 1.00 0.03 H new ATOM 0 HB2 HIS A 864 -11.975 -3.427 2.236 1.00 0.03 H new ATOM 0 HB3 HIS A 864 -11.989 -4.880 1.257 1.00 0.03 H new ATOM 0 HD2 HIS A 864 -10.152 -3.939 4.782 1.00 0.03 H new ATOM 0 HE1 HIS A 864 -11.508 -7.975 4.826 1.00 0.03 H new ATOM 0 HE2 HIS A 864 -10.341 -6.177 6.296 1.00 0.03 H new ATOM 900 N ARG A 865 -8.496 -2.483 2.318 1.00 0.04 N ATOM 901 CA ARG A 865 -7.330 -2.315 3.171 1.00 0.04 C ATOM 902 C ARG A 865 -7.455 -1.082 4.067 1.00 0.05 C ATOM 903 O ARG A 865 -6.495 -0.705 4.736 1.00 0.05 O ATOM 904 CB ARG A 865 -6.029 -2.255 2.350 1.00 0.06 C ATOM 905 CG ARG A 865 -6.176 -1.735 0.922 1.00 0.05 C ATOM 906 CD ARG A 865 -6.776 -0.335 0.869 1.00 0.06 C ATOM 907 NE ARG A 865 -7.129 0.068 -0.496 1.00 0.05 N ATOM 908 CZ ARG A 865 -7.983 -0.595 -1.281 1.00 0.06 C ATOM 909 NH1 ARG A 865 -8.639 -1.650 -0.824 1.00 0.07 N ATOM 910 NH2 ARG A 865 -8.199 -0.189 -2.520 1.00 0.07 N ATOM 0 H ARG A 865 -8.938 -1.613 2.021 1.00 0.04 H new ATOM 0 HA ARG A 865 -7.284 -3.194 3.814 1.00 0.04 H new ATOM 0 HB2 ARG A 865 -5.316 -1.621 2.877 1.00 0.06 H new ATOM 0 HB3 ARG A 865 -5.598 -3.255 2.311 1.00 0.06 H new ATOM 0 HG2 ARG A 865 -5.199 -1.726 0.440 1.00 0.05 H new ATOM 0 HG3 ARG A 865 -6.806 -2.419 0.353 1.00 0.05 H new ATOM 0 HD2 ARG A 865 -7.666 -0.299 1.497 1.00 0.06 H new ATOM 0 HD3 ARG A 865 -6.064 0.379 1.284 1.00 0.06 H new ATOM 0 HE ARG A 865 -6.694 0.911 -0.871 1.00 0.05 H new ATOM 0 HH11 ARG A 865 -8.495 -1.964 0.136 1.00 0.07 H new ATOM 0 HH12 ARG A 865 -9.289 -2.149 -1.432 1.00 0.07 H new ATOM 0 HH21 ARG A 865 -7.713 0.633 -2.879 1.00 0.07 H new ATOM 0 HH22 ARG A 865 -8.852 -0.697 -3.117 1.00 0.07 H new ATOM 924 N SER A 866 -8.635 -0.468 4.087 1.00 0.05 N ATOM 925 CA SER A 866 -8.861 0.711 4.920 1.00 0.07 C ATOM 926 C SER A 866 -10.305 0.762 5.413 1.00 0.07 C ATOM 927 O SER A 866 -10.804 -0.210 5.987 1.00 0.07 O ATOM 928 CB SER A 866 -8.504 1.984 4.155 1.00 0.08 C ATOM 929 OG SER A 866 -9.246 2.111 2.937 1.00 0.12 O ATOM 0 H SER A 866 -9.444 -0.764 3.541 1.00 0.05 H new ATOM 0 HA SER A 866 -8.211 0.641 5.792 1.00 0.07 H new ATOM 0 HB2 SER A 866 -8.696 2.851 4.787 1.00 0.08 H new ATOM 0 HB3 SER A 866 -7.437 1.983 3.930 1.00 0.08 H new ATOM 0 HG SER A 866 -8.794 2.746 2.343 1.00 0.12 H new ATOM 935 N LEU A 867 -10.979 1.893 5.208 1.00 0.09 N ATOM 936 CA LEU A 867 -12.364 2.040 5.627 1.00 0.11 C ATOM 937 C LEU A 867 -13.280 1.599 4.493 1.00 0.11 C ATOM 938 O LEU A 867 -14.143 2.360 4.042 1.00 0.19 O ATOM 939 CB LEU A 867 -12.671 3.499 6.013 1.00 0.15 C ATOM 940 CG LEU A 867 -11.831 4.584 5.310 1.00 0.39 C ATOM 941 CD1 LEU A 867 -12.674 5.822 5.038 1.00 0.54 C ATOM 942 CD2 LEU A 867 -10.622 4.960 6.156 1.00 0.61 C ATOM 0 H LEU A 867 -10.585 2.717 4.755 1.00 0.09 H new ATOM 0 HA LEU A 867 -12.534 1.416 6.504 1.00 0.11 H new ATOM 0 HB2 LEU A 867 -13.723 3.693 5.805 1.00 0.15 H new ATOM 0 HB3 LEU A 867 -12.534 3.604 7.089 1.00 0.15 H new ATOM 0 HG LEU A 867 -11.484 4.178 4.360 1.00 0.39 H new ATOM 0 HD11 LEU A 867 -12.063 6.576 4.542 1.00 0.54 H new ATOM 0 HD12 LEU A 867 -13.515 5.556 4.397 1.00 0.54 H new ATOM 0 HD13 LEU A 867 -13.049 6.221 5.980 1.00 0.54 H new ATOM 0 HD21 LEU A 867 -10.043 5.727 5.642 1.00 0.61 H new ATOM 0 HD22 LEU A 867 -10.957 5.343 7.120 1.00 0.61 H new ATOM 0 HD23 LEU A 867 -9.999 4.079 6.313 1.00 0.61 H new ATOM 954 N SER A 868 -13.079 0.375 4.027 1.00 0.05 N ATOM 955 CA SER A 868 -13.866 -0.148 2.930 1.00 0.06 C ATOM 956 C SER A 868 -14.881 -1.199 3.410 1.00 0.04 C ATOM 957 O SER A 868 -16.062 -0.876 3.550 1.00 0.05 O ATOM 958 CB SER A 868 -12.947 -0.713 1.842 1.00 0.07 C ATOM 959 OG SER A 868 -11.835 0.149 1.574 1.00 0.13 O ATOM 0 H SER A 868 -12.379 -0.270 4.393 1.00 0.05 H new ATOM 0 HA SER A 868 -14.441 0.674 2.502 1.00 0.06 H new ATOM 0 HB2 SER A 868 -12.580 -1.692 2.151 1.00 0.07 H new ATOM 0 HB3 SER A 868 -13.519 -0.861 0.926 1.00 0.07 H new ATOM 0 HG SER A 868 -11.690 0.204 0.606 1.00 0.13 H new ATOM 965 N GLY A 869 -14.453 -2.441 3.698 1.00 0.04 N ATOM 966 CA GLY A 869 -15.422 -3.447 4.122 1.00 0.04 C ATOM 967 C GLY A 869 -14.820 -4.757 4.641 1.00 0.03 C ATOM 968 O GLY A 869 -14.661 -5.720 3.896 1.00 0.03 O ATOM 0 H GLY A 869 -13.484 -2.756 3.646 1.00 0.04 H new ATOM 0 HA2 GLY A 869 -16.047 -3.018 4.905 1.00 0.04 H new ATOM 0 HA3 GLY A 869 -16.076 -3.675 3.281 1.00 0.04 H new ATOM 972 N CYS A 870 -14.489 -4.753 5.917 1.00 0.03 N ATOM 973 CA CYS A 870 -13.953 -5.894 6.639 1.00 0.03 C ATOM 974 C CYS A 870 -15.094 -6.764 7.167 1.00 0.04 C ATOM 975 O CYS A 870 -15.865 -6.337 8.026 1.00 0.04 O ATOM 976 CB CYS A 870 -13.048 -5.443 7.799 1.00 0.03 C ATOM 977 SG CYS A 870 -11.300 -5.189 7.325 1.00 0.03 S ATOM 0 H CYS A 870 -14.589 -3.924 6.503 1.00 0.03 H new ATOM 0 HA CYS A 870 -13.347 -6.479 5.947 1.00 0.03 H new ATOM 0 HB2 CYS A 870 -13.440 -4.514 8.212 1.00 0.03 H new ATOM 0 HB3 CYS A 870 -13.094 -6.189 8.593 1.00 0.03 H new ATOM 982 N PRO A 871 -15.252 -7.998 6.636 1.00 0.04 N ATOM 983 CA PRO A 871 -16.349 -8.910 7.032 1.00 0.04 C ATOM 984 C PRO A 871 -16.076 -9.715 8.310 1.00 0.04 C ATOM 985 O PRO A 871 -16.387 -10.904 8.381 1.00 0.04 O ATOM 986 CB PRO A 871 -16.431 -9.849 5.832 1.00 0.04 C ATOM 987 CG PRO A 871 -15.026 -9.950 5.344 1.00 0.03 C ATOM 988 CD PRO A 871 -14.384 -8.611 5.612 1.00 0.03 C ATOM 0 HA PRO A 871 -17.260 -8.358 7.265 1.00 0.04 H new ATOM 0 HB2 PRO A 871 -16.824 -10.825 6.117 1.00 0.04 H new ATOM 0 HB3 PRO A 871 -17.092 -9.452 5.061 1.00 0.04 H new ATOM 0 HG2 PRO A 871 -14.492 -10.747 5.861 1.00 0.03 H new ATOM 0 HG3 PRO A 871 -15.000 -10.187 4.280 1.00 0.03 H new ATOM 0 HD2 PRO A 871 -13.361 -8.723 5.971 1.00 0.03 H new ATOM 0 HD3 PRO A 871 -14.340 -8.002 4.709 1.00 0.03 H new ATOM 996 N ARG A 872 -15.502 -8.967 9.323 1.00 0.04 N ATOM 997 CA ARG A 872 -15.123 -9.548 10.597 1.00 0.04 C ATOM 998 C ARG A 872 -14.455 -8.495 11.408 1.00 0.04 C ATOM 999 O ARG A 872 -14.453 -7.472 11.159 1.00 0.04 O ATOM 1000 CB ARG A 872 -14.224 -10.768 10.326 1.00 0.04 C ATOM 1001 CG ARG A 872 -14.595 -12.173 11.411 1.00 0.04 C ATOM 1002 CD ARG A 872 -16.002 -13.010 10.981 1.00 0.04 C ATOM 1003 NE ARG A 872 -16.184 -14.020 11.777 1.00 0.04 N ATOM 1004 CZ ARG A 872 -17.137 -14.775 11.677 1.00 0.04 C ATOM 1005 NH1 ARG A 872 -18.035 -14.538 10.724 1.00 0.04 N ATOM 1006 NH2 ARG A 872 -17.303 -15.754 12.467 1.00 0.04 N ATOM 0 H ARG A 872 -15.308 -7.969 9.247 1.00 0.04 H new ATOM 0 HA ARG A 872 -15.984 -9.900 11.165 1.00 0.04 H new ATOM 0 HB2 ARG A 872 -14.342 -11.076 9.287 1.00 0.04 H new ATOM 0 HB3 ARG A 872 -13.181 -10.480 10.456 1.00 0.04 H new ATOM 0 HG2 ARG A 872 -13.753 -12.864 11.397 1.00 0.04 H new ATOM 0 HG3 ARG A 872 -14.695 -11.814 12.435 1.00 0.04 H new ATOM 0 HD2 ARG A 872 -16.861 -12.341 11.029 1.00 0.04 H new ATOM 0 HD3 ARG A 872 -15.926 -13.358 9.951 1.00 0.04 H new ATOM 0 HE ARG A 872 -15.502 -14.189 12.516 1.00 0.04 H new ATOM 0 HH11 ARG A 872 -17.917 -13.741 10.099 1.00 0.04 H new ATOM 0 HH12 ARG A 872 -18.841 -15.154 10.619 1.00 0.04 H new ATOM 0 HH21 ARG A 872 -16.629 -15.928 13.212 1.00 0.04 H new ATOM 0 HH22 ARG A 872 -18.111 -16.367 12.357 1.00 0.04 H new ATOM 1020 N ALA A 873 -13.923 -8.993 12.587 1.00 0.04 N ATOM 1021 CA ALA A 873 -13.253 -8.182 13.483 1.00 0.04 C ATOM 1022 C ALA A 873 -11.817 -7.877 12.806 1.00 0.04 C ATOM 1023 O ALA A 873 -11.667 -7.942 11.727 1.00 0.04 O ATOM 1024 CB ALA A 873 -13.143 -8.888 15.010 1.00 0.04 C ATOM 0 H ALA A 873 -13.986 -9.971 12.871 1.00 0.04 H new ATOM 0 HA ALA A 873 -13.788 -7.250 13.667 1.00 0.04 H new ATOM 0 HB1 ALA A 873 -12.609 -8.217 15.683 1.00 0.04 H new ATOM 0 HB2 ALA A 873 -14.145 -9.071 15.399 1.00 0.04 H new ATOM 0 HB3 ALA A 873 -12.604 -9.833 14.936 1.00 0.04 H new TER 1030 ALA A 873 ATOM 1031 O5' DA B 1 23.088 13.921 3.157 1.00 0.15 O ATOM 1032 C5' DA B 1 24.234 13.455 2.419 1.00 0.16 C ATOM 1033 C4' DA B 1 23.786 12.623 1.230 1.00 0.15 C ATOM 1034 O4' DA B 1 23.603 11.242 1.664 1.00 0.15 O ATOM 1035 C3' DA B 1 22.439 13.010 0.617 1.00 0.15 C ATOM 1036 O3' DA B 1 22.230 12.637 -0.739 1.00 0.15 O ATOM 1037 C2' DA B 1 21.439 12.224 1.467 1.00 0.14 C ATOM 1038 C1' DA B 1 22.220 10.940 1.762 1.00 0.14 C ATOM 1039 N9 DA B 1 21.919 10.357 3.134 1.00 0.13 N ATOM 1040 C8 DA B 1 21.709 10.961 4.345 1.00 0.13 C ATOM 1041 N7 DA B 1 21.417 10.132 5.302 1.00 0.13 N ATOM 1042 C5 DA B 1 21.434 8.885 4.686 1.00 0.13 C ATOM 1043 C6 DA B 1 21.201 7.592 5.168 1.00 0.12 C ATOM 1044 N6 DA B 1 20.894 7.322 6.442 1.00 0.12 N ATOM 1045 N1 DA B 1 21.298 6.582 4.293 1.00 0.12 N ATOM 1046 C2 DA B 1 21.606 6.856 3.027 1.00 0.12 C ATOM 1047 N3 DA B 1 21.844 8.025 2.463 1.00 0.13 N ATOM 1048 C4 DA B 1 21.740 9.024 3.366 1.00 0.13 C ATOM 0 H5' DA B 1 24.877 12.860 3.068 1.00 0.16 H new ATOM 0 H5'' DA B 1 24.826 14.304 2.076 1.00 0.16 H new ATOM 0 H4' DA B 1 24.565 12.783 0.485 1.00 0.15 H new ATOM 0 H3' DA B 1 22.355 14.097 0.614 1.00 0.15 H new ATOM 0 H2' DA B 1 21.169 12.757 2.379 1.00 0.14 H new ATOM 0 H2'' DA B 1 20.513 12.025 0.929 1.00 0.14 H new ATOM 0 HO5' DA B 1 23.387 14.455 3.923 1.00 0.15 H new ATOM 0 H1' DA B 1 21.918 10.184 1.037 1.00 0.14 H new ATOM 0 H8 DA B 1 21.780 12.029 4.491 1.00 0.13 H new ATOM 0 H61 DA B 1 20.735 6.358 6.735 1.00 0.12 H new ATOM 0 H62 DA B 1 20.819 8.080 7.120 1.00 0.12 H new ATOM 0 H2 DA B 1 21.670 6.002 2.369 1.00 0.12 H new ATOM 1061 P DC B 2 20.958 12.595 -0.734 1.00 0.14 P ATOM 1062 OP1 DC B 2 21.542 13.379 -1.846 1.00 0.15 O ATOM 1063 OP2 DC B 2 19.807 13.189 -0.020 1.00 0.13 O ATOM 1064 O5' DC B 2 20.614 11.163 -1.358 1.00 0.13 O ATOM 1065 C5' DC B 2 21.687 10.239 -1.618 1.00 0.14 C ATOM 1066 C4' DC B 2 21.134 8.952 -2.205 1.00 0.13 C ATOM 1067 O4' DC B 2 20.738 8.065 -1.115 1.00 0.12 O ATOM 1068 C3' DC B 2 19.870 9.097 -3.055 1.00 0.13 C ATOM 1069 O3' DC B 2 19.625 8.074 -4.009 1.00 0.12 O ATOM 1070 C2' DC B 2 18.751 9.030 -2.015 1.00 0.12 C ATOM 1071 C1' DC B 2 19.323 8.035 -1.000 1.00 0.11 C ATOM 1072 N1 DC B 2 18.964 8.337 0.412 1.00 0.11 N ATOM 1073 C2 DC B 2 18.678 7.270 1.255 1.00 0.10 C ATOM 1074 O2 DC B 2 18.737 6.119 0.794 1.00 0.10 O ATOM 1075 N3 DC B 2 18.351 7.519 2.550 1.00 0.10 N ATOM 1076 C4 DC B 2 18.302 8.769 3.006 1.00 0.11 C ATOM 1077 N4 DC B 2 17.979 8.961 4.269 1.00 0.10 N ATOM 1078 C5 DC B 2 18.591 9.888 2.161 1.00 0.11 C ATOM 1079 C6 DC B 2 18.917 9.615 0.870 1.00 0.11 C ATOM 0 H5' DC B 2 22.225 10.025 -0.695 1.00 0.14 H new ATOM 0 H5'' DC B 2 22.403 10.685 -2.308 1.00 0.14 H new ATOM 0 H4' DC B 2 21.940 8.584 -2.840 1.00 0.13 H new ATOM 0 H3' DC B 2 19.953 10.006 -3.651 1.00 0.13 H new ATOM 0 H2' DC B 2 18.552 10.003 -1.566 1.00 0.12 H new ATOM 0 H2'' DC B 2 17.813 8.680 -2.446 1.00 0.12 H new ATOM 0 H1' DC B 2 18.896 7.059 -1.230 1.00 0.11 H new ATOM 0 H41 DC B 2 17.934 9.908 4.646 1.00 0.10 H new ATOM 0 H42 DC B 2 17.774 8.163 4.870 1.00 0.10 H new ATOM 0 H5 DC B 2 18.552 10.902 2.532 1.00 0.11 H new ATOM 0 H6 DC B 2 19.143 10.429 0.196 1.00 0.11 H new ATOM 1091 P DC B 3 18.167 8.071 -4.036 1.00 0.11 P ATOM 1092 OP1 DC B 3 18.795 8.001 -5.372 1.00 0.12 O ATOM 1093 OP2 DC B 3 17.114 9.096 -3.836 1.00 0.11 O ATOM 1094 O5' DC B 3 17.639 6.593 -3.732 1.00 0.10 O ATOM 1095 C5' DC B 3 18.591 5.574 -3.370 1.00 0.11 C ATOM 1096 C4' DC B 3 17.873 4.256 -3.127 1.00 0.10 C ATOM 1097 O4' DC B 3 17.418 4.214 -1.741 1.00 0.09 O ATOM 1098 C3' DC B 3 16.604 4.028 -3.952 1.00 0.09 C ATOM 1099 O3' DC B 3 16.211 2.677 -4.148 1.00 0.08 O ATOM 1100 C2' DC B 3 15.524 4.702 -3.102 1.00 0.08 C ATOM 1101 C1' DC B 3 16.014 4.416 -1.683 1.00 0.08 C ATOM 1102 N1 DC B 3 15.744 5.516 -0.714 1.00 0.08 N ATOM 1103 C2 DC B 3 15.370 5.171 0.575 1.00 0.08 C ATOM 1104 O2 DC B 3 15.279 3.969 0.867 1.00 0.07 O ATOM 1105 N3 DC B 3 15.118 6.159 1.477 1.00 0.08 N ATOM 1106 C4 DC B 3 15.230 7.437 1.126 1.00 0.08 C ATOM 1107 N4 DC B 3 14.974 8.358 2.036 1.00 0.09 N ATOM 1108 C5 DC B 3 15.612 7.822 -0.198 1.00 0.09 C ATOM 1109 C6 DC B 3 15.860 6.821 -1.082 1.00 0.09 C ATOM 0 H5' DC B 3 19.133 5.873 -2.473 1.00 0.11 H new ATOM 0 H5'' DC B 3 19.329 5.455 -4.164 1.00 0.11 H new ATOM 0 H4' DC B 3 18.607 3.499 -3.403 1.00 0.10 H new ATOM 0 H3' DC B 3 16.765 4.409 -4.960 1.00 0.09 H new ATOM 0 H2' DC B 3 15.455 5.771 -3.302 1.00 0.08 H new ATOM 0 H2'' DC B 3 14.536 4.279 -3.286 1.00 0.08 H new ATOM 0 H1' DC B 3 15.470 3.542 -1.326 1.00 0.08 H new ATOM 0 H41 DC B 3 15.051 9.347 1.797 1.00 0.09 H new ATOM 0 H42 DC B 3 14.699 8.081 2.978 1.00 0.09 H new ATOM 0 H5 DC B 3 15.699 8.861 -0.481 1.00 0.09 H new ATOM 0 H6 DC B 3 16.154 7.064 -2.092 1.00 0.09 H new ATOM 1121 P DG B 4 14.766 2.804 -4.230 1.00 0.08 P ATOM 1122 OP1 DG B 4 15.338 1.896 -5.248 1.00 0.08 O ATOM 1123 OP2 DG B 4 13.845 3.859 -4.705 1.00 0.08 O ATOM 1124 O5' DG B 4 14.087 1.848 -3.142 1.00 0.07 O ATOM 1125 C5' DG B 4 14.927 1.134 -2.216 1.00 0.07 C ATOM 1126 C4' DG B 4 14.073 0.294 -1.280 1.00 0.06 C ATOM 1127 O4' DG B 4 13.661 1.119 -0.148 1.00 0.06 O ATOM 1128 C3' DG B 4 12.760 -0.228 -1.865 1.00 0.05 C ATOM 1129 O3' DG B 4 12.209 -1.388 -1.253 1.00 0.04 O ATOM 1130 C2' DG B 4 11.791 0.927 -1.611 1.00 0.05 C ATOM 1131 C1' DG B 4 12.292 1.472 -0.273 1.00 0.05 C ATOM 1132 N9 DG B 4 12.183 2.951 -0.138 1.00 0.05 N ATOM 1133 C8 DG B 4 12.395 3.931 -1.087 1.00 0.06 C ATOM 1134 N7 DG B 4 12.215 5.151 -0.642 1.00 0.06 N ATOM 1135 C5 DG B 4 11.856 4.970 0.691 1.00 0.06 C ATOM 1136 C6 DG B 4 11.534 5.922 1.692 1.00 0.06 C ATOM 1137 O6 DG B 4 11.499 7.150 1.607 1.00 0.06 O ATOM 1138 N1 DG B 4 11.230 5.298 2.908 1.00 0.06 N ATOM 1139 C2 DG B 4 11.233 3.936 3.130 1.00 0.05 C ATOM 1140 N2 DG B 4 10.914 3.541 4.368 1.00 0.05 N ATOM 1141 N3 DG B 4 11.534 3.046 2.188 1.00 0.05 N ATOM 1142 C4 DG B 4 11.831 3.637 0.998 1.00 0.05 C ATOM 0 H5' DG B 4 15.528 1.838 -1.640 1.00 0.07 H new ATOM 0 H5'' DG B 4 15.621 0.494 -2.761 1.00 0.07 H new ATOM 0 H4' DG B 4 14.708 -0.557 -1.035 1.00 0.06 H new ATOM 0 H3' DG B 4 12.932 -0.525 -2.899 1.00 0.05 H new ATOM 0 H2' DG B 4 11.835 1.678 -2.400 1.00 0.05 H new ATOM 0 H2'' DG B 4 10.757 0.587 -1.552 1.00 0.05 H new ATOM 0 H1' DG B 4 11.663 1.039 0.504 1.00 0.05 H new ATOM 0 H8 DG B 4 12.683 3.712 -2.105 1.00 0.06 H new ATOM 0 H1 DG B 4 10.986 5.900 3.695 1.00 0.06 H new ATOM 0 H21 DG B 4 10.898 2.547 4.598 1.00 0.05 H new ATOM 0 H22 DG B 4 10.687 4.234 5.082 1.00 0.05 H new ATOM 1154 P DA B 5 10.704 -1.376 -1.417 1.00 0.04 P ATOM 1155 OP1 DA B 5 11.037 -2.795 -1.681 1.00 0.04 O ATOM 1156 OP2 DA B 5 9.954 -0.649 -2.466 1.00 0.04 O ATOM 1157 O5' DA B 5 9.943 -1.372 -0.010 1.00 0.03 O ATOM 1158 C5' DA B 5 10.705 -1.550 1.197 1.00 0.04 C ATOM 1159 C4' DA B 5 9.782 -1.514 2.406 1.00 0.04 C ATOM 1160 O4' DA B 5 9.603 -0.124 2.816 1.00 0.04 O ATOM 1161 C3' DA B 5 8.360 -2.029 2.174 1.00 0.04 C ATOM 1162 O3' DA B 5 7.658 -2.487 3.320 1.00 0.04 O ATOM 1163 C2' DA B 5 7.631 -0.788 1.653 1.00 0.03 C ATOM 1164 C1' DA B 5 8.312 0.332 2.442 1.00 0.04 C ATOM 1165 N9 DA B 5 8.436 1.628 1.658 1.00 0.04 N ATOM 1166 C8 DA B 5 8.726 1.864 0.339 1.00 0.04 C ATOM 1167 N7 DA B 5 8.687 3.118 0.008 1.00 0.04 N ATOM 1168 C5 DA B 5 8.348 3.770 1.187 1.00 0.04 C ATOM 1169 C6 DA B 5 8.148 5.121 1.497 1.00 0.04 C ATOM 1170 N6 DA B 5 8.265 6.112 0.602 1.00 0.05 N ATOM 1171 N1 DA B 5 7.820 5.422 2.762 1.00 0.05 N ATOM 1172 C2 DA B 5 7.704 4.437 3.646 1.00 0.04 C ATOM 1173 N3 DA B 5 7.867 3.136 3.471 1.00 0.04 N ATOM 1174 C4 DA B 5 8.194 2.861 2.193 1.00 0.04 C ATOM 0 H5' DA B 5 11.458 -0.766 1.280 1.00 0.04 H new ATOM 0 H5'' DA B 5 11.237 -2.501 1.164 1.00 0.04 H new ATOM 0 H4' DA B 5 10.270 -2.162 3.135 1.00 0.04 H new ATOM 0 H3' DA B 5 8.404 -2.900 1.521 1.00 0.04 H new ATOM 0 H2' DA B 5 7.755 -0.663 0.577 1.00 0.03 H new ATOM 0 H2'' DA B 5 6.559 -0.832 1.848 1.00 0.03 H new ATOM 0 H1' DA B 5 7.694 0.559 3.311 1.00 0.04 H new ATOM 0 H8 DA B 5 8.965 1.077 -0.361 1.00 0.04 H new ATOM 0 H61 DA B 5 8.107 7.078 0.888 1.00 0.05 H new ATOM 0 H62 DA B 5 8.512 5.900 -0.365 1.00 0.05 H new ATOM 0 H2 DA B 5 7.440 4.741 4.648 1.00 0.04 H new ATOM 1186 P DA B 6 6.038 -2.587 3.280 1.00 0.05 P ATOM 1187 OP1 DA B 6 5.647 -3.931 3.766 1.00 0.05 O ATOM 1188 OP2 DA B 6 5.500 -2.120 1.964 1.00 0.04 O ATOM 1189 O5' DA B 6 5.490 -1.643 4.438 1.00 0.05 O ATOM 1190 C5' DA B 6 6.319 -1.081 5.455 1.00 0.05 C ATOM 1191 C4' DA B 6 5.487 -0.130 6.281 1.00 0.05 C ATOM 1192 O4' DA B 6 5.482 1.152 5.617 1.00 0.05 O ATOM 1193 C3' DA B 6 4.032 -0.581 6.343 1.00 0.06 C ATOM 1194 O3' DA B 6 3.369 -0.030 7.465 1.00 0.07 O ATOM 1195 C2' DA B 6 3.447 0.060 5.095 1.00 0.05 C ATOM 1196 C1' DA B 6 4.215 1.374 5.015 1.00 0.05 C ATOM 1197 N9 DA B 6 4.432 1.877 3.660 1.00 0.05 N ATOM 1198 C8 DA B 6 4.695 1.180 2.506 1.00 0.04 C ATOM 1199 N7 DA B 6 4.846 1.947 1.446 1.00 0.04 N ATOM 1200 C5 DA B 6 4.661 3.236 1.943 1.00 0.04 C ATOM 1201 C6 DA B 6 4.685 4.509 1.325 1.00 0.04 C ATOM 1202 N6 DA B 6 4.913 4.703 0.018 1.00 0.05 N ATOM 1203 N1 DA B 6 4.462 5.590 2.112 1.00 0.05 N ATOM 1204 C2 DA B 6 4.228 5.398 3.417 1.00 0.05 C ATOM 1205 N3 DA B 6 4.179 4.258 4.107 1.00 0.05 N ATOM 1206 C4 DA B 6 4.406 3.204 3.302 1.00 0.05 C ATOM 0 H5' DA B 6 7.163 -0.556 5.008 1.00 0.05 H new ATOM 0 H5'' DA B 6 6.732 -1.869 6.085 1.00 0.05 H new ATOM 0 H4' DA B 6 5.910 -0.091 7.285 1.00 0.05 H new ATOM 0 H3' DA B 6 3.933 -1.664 6.410 1.00 0.06 H new ATOM 0 H2' DA B 6 3.603 -0.557 4.210 1.00 0.05 H new ATOM 0 H2'' DA B 6 2.373 0.222 5.186 1.00 0.05 H new ATOM 0 H1' DA B 6 3.614 2.130 5.520 1.00 0.05 H new ATOM 0 H8 DA B 6 4.771 0.103 2.471 1.00 0.04 H new ATOM 0 H61 DA B 6 4.917 5.649 -0.364 1.00 0.05 H new ATOM 0 H62 DA B 6 5.083 3.905 -0.594 1.00 0.05 H new ATOM 0 H2 DA B 6 4.054 6.295 3.993 1.00 0.05 H new ATOM 1218 P DA B 7 1.769 0.021 7.480 1.00 0.07 P ATOM 1219 OP1 DA B 7 1.294 -0.633 8.726 1.00 0.08 O ATOM 1220 OP2 DA B 7 1.162 -0.372 6.185 1.00 0.06 O ATOM 1221 O5' DA B 7 1.492 1.561 7.686 1.00 0.07 O ATOM 1222 C5' DA B 7 2.356 2.425 8.413 1.00 0.07 C ATOM 1223 C4' DA B 7 1.508 3.537 8.949 1.00 0.07 C ATOM 1224 O4' DA B 7 1.423 4.534 7.893 1.00 0.06 O ATOM 1225 C3' DA B 7 0.104 3.020 9.216 1.00 0.07 C ATOM 1226 O3' DA B 7 -0.656 3.767 10.139 1.00 0.07 O ATOM 1227 C2' DA B 7 -0.512 3.215 7.834 1.00 0.06 C ATOM 1228 C1' DA B 7 0.131 4.499 7.312 1.00 0.06 C ATOM 1229 N9 DA B 7 0.311 4.411 5.855 1.00 0.06 N ATOM 1230 C8 DA B 7 0.391 3.206 5.199 1.00 0.07 C ATOM 1231 N7 DA B 7 0.495 3.311 3.901 1.00 0.06 N ATOM 1232 C5 DA B 7 0.502 4.676 3.674 1.00 0.05 C ATOM 1233 C6 DA B 7 0.586 5.423 2.490 1.00 0.05 C ATOM 1234 N6 DA B 7 0.668 4.876 1.274 1.00 0.05 N ATOM 1235 N1 DA B 7 0.574 6.763 2.594 1.00 0.04 N ATOM 1236 C2 DA B 7 0.474 7.313 3.815 1.00 0.04 C ATOM 1237 N3 DA B 7 0.381 6.713 5.008 1.00 0.05 N ATOM 1238 C4 DA B 7 0.400 5.376 4.869 1.00 0.05 C ATOM 0 H5' DA B 7 3.143 2.816 7.768 1.00 0.07 H new ATOM 0 H5'' DA B 7 2.846 1.887 9.225 1.00 0.07 H new ATOM 0 H4' DA B 7 1.930 3.940 9.870 1.00 0.07 H new ATOM 0 H3' DA B 7 0.123 2.018 9.645 1.00 0.07 H new ATOM 0 H2' DA B 7 -0.299 2.369 7.180 1.00 0.06 H new ATOM 0 H2'' DA B 7 -1.597 3.308 7.891 1.00 0.06 H new ATOM 0 H1' DA B 7 -0.479 5.370 7.550 1.00 0.06 H new ATOM 0 H8 DA B 7 0.370 2.256 5.712 1.00 0.07 H new ATOM 0 H61 DA B 7 0.727 5.473 0.449 1.00 0.05 H new ATOM 0 H62 DA B 7 0.672 3.861 1.170 1.00 0.05 H new ATOM 0 H2 DA B 7 0.468 8.393 3.838 1.00 0.04 H new ATOM 1250 P DG B 8 -2.251 3.619 10.143 1.00 0.07 P ATOM 1251 OP1 DG B 8 -2.682 3.256 11.520 1.00 0.07 O ATOM 1252 OP2 DG B 8 -2.762 2.825 9.000 1.00 0.06 O ATOM 1253 O5' DG B 8 -2.688 5.109 9.925 1.00 0.06 O ATOM 1254 C5' DG B 8 -1.746 6.165 9.974 1.00 0.06 C ATOM 1255 C4' DG B 8 -2.321 7.332 9.221 1.00 0.06 C ATOM 1256 O4' DG B 8 -2.039 7.106 7.820 1.00 0.06 O ATOM 1257 C3' DG B 8 -3.826 7.200 9.407 1.00 0.05 C ATOM 1258 O3' DG B 8 -4.497 8.404 9.216 1.00 0.06 O ATOM 1259 C2' DG B 8 -4.213 6.269 8.268 1.00 0.06 C ATOM 1260 C1' DG B 8 -3.237 6.725 7.181 1.00 0.06 C ATOM 1261 N9 DG B 8 -2.957 5.768 6.112 1.00 0.06 N ATOM 1262 C8 DG B 8 -2.806 4.412 6.213 1.00 0.07 C ATOM 1263 N7 DG B 8 -2.674 3.819 5.054 1.00 0.06 N ATOM 1264 C5 DG B 8 -2.718 4.857 4.130 1.00 0.06 C ATOM 1265 C6 DG B 8 -2.628 4.838 2.704 1.00 0.06 C ATOM 1266 O6 DG B 8 -2.497 3.869 1.948 1.00 0.06 O ATOM 1267 N1 DG B 8 -2.716 6.116 2.163 1.00 0.05 N ATOM 1268 C2 DG B 8 -2.863 7.268 2.890 1.00 0.05 C ATOM 1269 N2 DG B 8 -2.919 8.407 2.169 1.00 0.05 N ATOM 1270 N3 DG B 8 -2.949 7.306 4.215 1.00 0.05 N ATOM 1271 C4 DG B 8 -2.870 6.072 4.766 1.00 0.06 C ATOM 0 H5' DG B 8 -0.800 5.853 9.531 1.00 0.06 H new ATOM 0 H5'' DG B 8 -1.538 6.443 11.007 1.00 0.06 H new ATOM 0 H4' DG B 8 -1.932 8.296 9.548 1.00 0.06 H new ATOM 0 H3' DG B 8 -4.077 6.861 10.412 1.00 0.05 H new ATOM 0 H2' DG B 8 -4.080 5.219 8.529 1.00 0.06 H new ATOM 0 H2'' DG B 8 -5.253 6.393 7.968 1.00 0.06 H new ATOM 0 H1' DG B 8 -3.724 7.549 6.659 1.00 0.06 H new ATOM 0 H8 DG B 8 -2.797 3.884 7.155 1.00 0.07 H new ATOM 0 H1 DG B 8 -2.667 6.202 1.148 1.00 0.05 H new ATOM 0 H21 DG B 8 -3.028 9.305 2.641 1.00 0.05 H new ATOM 0 H22 DG B 8 -2.853 8.370 1.152 1.00 0.05 H new ATOM 1283 P DT B 9 -6.026 8.358 8.773 1.00 0.06 P ATOM 1284 OP1 DT B 9 -6.748 9.313 9.640 1.00 0.06 O ATOM 1285 OP2 DT B 9 -6.582 6.988 8.598 1.00 0.05 O ATOM 1286 O5' DT B 9 -5.931 9.032 7.351 1.00 0.06 O ATOM 1287 C5' DT B 9 -4.716 9.604 6.861 1.00 0.07 C ATOM 1288 C4' DT B 9 -5.046 10.343 5.599 1.00 0.07 C ATOM 1289 O4' DT B 9 -5.041 9.373 4.532 1.00 0.06 O ATOM 1290 C3' DT B 9 -6.474 10.841 5.758 1.00 0.06 C ATOM 1291 O3' DT B 9 -6.765 11.926 4.923 1.00 0.07 O ATOM 1292 C2' DT B 9 -7.275 9.648 5.259 1.00 0.05 C ATOM 1293 C1' DT B 9 -6.370 9.120 4.146 1.00 0.05 C ATOM 1294 N1 DT B 9 -6.499 7.688 3.842 1.00 0.05 N ATOM 1295 C2 DT B 9 -6.466 7.349 2.518 1.00 0.05 C ATOM 1296 O2 DT B 9 -6.290 8.163 1.631 1.00 0.05 O ATOM 1297 N3 DT B 9 -6.652 6.019 2.266 1.00 0.04 N ATOM 1298 C4 DT B 9 -6.842 5.021 3.191 1.00 0.05 C ATOM 1299 O4 DT B 9 -7.006 3.871 2.816 1.00 0.05 O ATOM 1300 C5 DT B 9 -6.838 5.442 4.565 1.00 0.05 C ATOM 1301 C7 DT B 9 -7.043 4.415 5.631 1.00 0.06 C ATOM 1302 C6 DT B 9 -6.657 6.746 4.832 1.00 0.05 C ATOM 0 H5' DT B 9 -3.976 8.827 6.669 1.00 0.07 H new ATOM 0 H5'' DT B 9 -4.284 10.279 7.600 1.00 0.07 H new ATOM 0 H4' DT B 9 -4.350 11.158 5.398 1.00 0.07 H new ATOM 0 H3' DT B 9 -6.676 11.174 6.776 1.00 0.06 H new ATOM 0 H2' DT B 9 -7.438 8.907 6.041 1.00 0.05 H new ATOM 0 H2'' DT B 9 -8.257 9.940 4.886 1.00 0.05 H new ATOM 0 H1' DT B 9 -6.673 9.635 3.234 1.00 0.05 H new ATOM 0 H3 DT B 9 -6.650 5.737 1.286 1.00 0.04 H new ATOM 0 H71 DT B 9 -6.516 4.719 6.535 1.00 0.06 H new ATOM 0 H72 DT B 9 -8.108 4.321 5.846 1.00 0.06 H new ATOM 0 H73 DT B 9 -6.655 3.455 5.291 1.00 0.06 H new ATOM 0 H6 DT B 9 -6.635 7.067 5.863 1.00 0.05 H new ATOM 1315 P DT B 10 -8.291 12.253 4.593 1.00 0.07 P ATOM 1316 OP1 DT B 10 -8.520 13.685 4.907 1.00 0.08 O ATOM 1317 OP2 DT B 10 -9.245 11.242 5.113 1.00 0.06 O ATOM 1318 O5' DT B 10 -8.292 12.153 3.022 1.00 0.06 O ATOM 1319 C5' DT B 10 -7.092 12.054 2.257 1.00 0.06 C ATOM 1320 C4' DT B 10 -7.482 12.085 0.809 1.00 0.06 C ATOM 1321 O4' DT B 10 -7.830 10.742 0.429 1.00 0.06 O ATOM 1322 C3' DT B 10 -8.737 12.929 0.712 1.00 0.06 C ATOM 1323 O3' DT B 10 -8.943 13.451 -0.556 1.00 0.06 O ATOM 1324 C2' DT B 10 -9.822 11.903 0.990 1.00 0.06 C ATOM 1325 C1' DT B 10 -9.231 10.662 0.295 1.00 0.05 C ATOM 1326 N1 DT B 10 -9.639 9.378 0.875 1.00 0.05 N ATOM 1327 C2 DT B 10 -9.765 8.286 0.048 1.00 0.06 C ATOM 1328 O2 DT B 10 -9.590 8.347 -1.150 1.00 0.05 O ATOM 1329 N3 DT B 10 -10.111 7.124 0.687 1.00 0.06 N ATOM 1330 C4 DT B 10 -10.337 6.950 2.039 1.00 0.06 C ATOM 1331 O4 DT B 10 -10.635 5.829 2.484 1.00 0.07 O ATOM 1332 C5 DT B 10 -10.191 8.148 2.841 1.00 0.06 C ATOM 1333 C7 DT B 10 -10.394 8.078 4.321 1.00 0.07 C ATOM 1334 C6 DT B 10 -9.855 9.289 2.227 1.00 0.06 C ATOM 0 H5' DT B 10 -6.561 11.131 2.492 1.00 0.06 H new ATOM 0 H5'' DT B 10 -6.418 12.878 2.491 1.00 0.06 H new ATOM 0 H4' DT B 10 -6.683 12.477 0.180 1.00 0.06 H new ATOM 0 H3' DT B 10 -8.702 13.788 1.382 1.00 0.06 H new ATOM 0 H2' DT B 10 -9.977 11.744 2.057 1.00 0.06 H new ATOM 0 H2'' DT B 10 -10.784 12.194 0.568 1.00 0.06 H new ATOM 0 H1' DT B 10 -9.593 10.676 -0.733 1.00 0.05 H new ATOM 0 H3 DT B 10 -10.213 6.296 0.100 1.00 0.06 H new ATOM 0 H71 DT B 10 -11.115 7.294 4.553 1.00 0.07 H new ATOM 0 H72 DT B 10 -9.445 7.854 4.808 1.00 0.07 H new ATOM 0 H73 DT B 10 -10.771 9.035 4.682 1.00 0.07 H new ATOM 0 H6 DT B 10 -9.749 10.182 2.824 1.00 0.06 H new ATOM 1347 P DC B 11 -10.410 13.856 -1.039 1.00 0.06 P ATOM 1348 OP1 DC B 11 -9.796 15.174 -1.320 1.00 0.06 O ATOM 1349 OP2 DC B 11 -11.606 13.836 -0.170 1.00 0.06 O ATOM 1350 O5' DC B 11 -10.686 13.202 -2.473 1.00 0.06 O ATOM 1351 C5' DC B 11 -9.578 12.670 -3.224 1.00 0.06 C ATOM 1352 C4' DC B 11 -10.067 12.100 -4.543 1.00 0.06 C ATOM 1353 O4' DC B 11 -10.489 10.720 -4.336 1.00 0.06 O ATOM 1354 C3' DC B 11 -11.296 12.787 -5.148 1.00 0.06 C ATOM 1355 O3' DC B 11 -11.471 12.657 -6.549 1.00 0.07 O ATOM 1356 C2' DC B 11 -12.459 12.057 -4.470 1.00 0.06 C ATOM 1357 C1' DC B 11 -11.908 10.636 -4.344 1.00 0.06 C ATOM 1358 N1 DC B 11 -12.336 9.925 -3.105 1.00 0.05 N ATOM 1359 C2 DC B 11 -12.629 8.573 -3.200 1.00 0.05 C ATOM 1360 O2 DC B 11 -12.522 8.017 -4.302 1.00 0.05 O ATOM 1361 N3 DC B 11 -13.021 7.905 -2.080 1.00 0.05 N ATOM 1362 C4 DC B 11 -13.124 8.537 -0.916 1.00 0.05 C ATOM 1363 N4 DC B 11 -13.509 7.845 0.137 1.00 0.05 N ATOM 1364 C5 DC B 11 -12.830 9.931 -0.790 1.00 0.05 C ATOM 1365 C6 DC B 11 -12.438 10.582 -1.919 1.00 0.05 C ATOM 0 H5' DC B 11 -9.077 11.893 -2.647 1.00 0.06 H new ATOM 0 H5'' DC B 11 -8.843 13.454 -3.408 1.00 0.06 H new ATOM 0 H4' DC B 11 -9.223 12.235 -5.219 1.00 0.06 H new ATOM 0 H3' DC B 11 -11.210 13.862 -4.989 1.00 0.06 H new ATOM 0 H2' DC B 11 -12.702 12.489 -3.499 1.00 0.06 H new ATOM 0 H2'' DC B 11 -13.368 12.091 -5.070 1.00 0.06 H new ATOM 0 H1' DC B 11 -12.300 10.065 -5.186 1.00 0.06 H new ATOM 0 H41 DC B 11 -13.597 8.303 1.044 1.00 0.05 H new ATOM 0 H42 DC B 11 -13.719 6.851 0.045 1.00 0.05 H new ATOM 0 H5 DC B 11 -12.915 10.443 0.157 1.00 0.05 H new ATOM 0 H6 DC B 11 -12.205 11.635 -1.872 1.00 0.05 H new ATOM 1377 P DA B 12 -12.932 12.722 -6.901 1.00 0.07 P ATOM 1378 OP1 DA B 12 -12.320 13.525 -7.980 1.00 0.08 O ATOM 1379 OP2 DA B 12 -13.972 13.375 -6.077 1.00 0.07 O ATOM 1380 O5' DA B 12 -13.467 11.391 -7.610 1.00 0.07 O ATOM 1381 C5' DA B 12 -12.519 10.379 -8.001 1.00 0.07 C ATOM 1382 C4' DA B 12 -13.244 9.214 -8.652 1.00 0.07 C ATOM 1383 O4' DA B 12 -13.682 8.289 -7.611 1.00 0.06 O ATOM 1384 C3' DA B 12 -14.524 9.564 -9.412 1.00 0.08 C ATOM 1385 O3' DA B 12 -14.931 8.655 -10.425 1.00 0.08 O ATOM 1386 C2' DA B 12 -15.589 9.535 -8.315 1.00 0.07 C ATOM 1387 C1' DA B 12 -15.085 8.405 -7.416 1.00 0.07 C ATOM 1388 N9 DA B 12 -15.377 8.630 -5.943 1.00 0.06 N ATOM 1389 C8 DA B 12 -15.343 9.766 -5.180 1.00 0.06 C ATOM 1390 N7 DA B 12 -15.721 9.589 -3.948 1.00 0.06 N ATOM 1391 C5 DA B 12 -16.033 8.235 -3.885 1.00 0.06 C ATOM 1392 C6 DA B 12 -16.496 7.419 -2.846 1.00 0.06 C ATOM 1393 N6 DA B 12 -16.741 7.870 -1.608 1.00 0.06 N ATOM 1394 N1 DA B 12 -16.702 6.124 -3.122 1.00 0.06 N ATOM 1395 C2 DA B 12 -16.455 5.686 -4.353 1.00 0.06 C ATOM 1396 N3 DA B 12 -16.021 6.351 -5.404 1.00 0.06 N ATOM 1397 C4 DA B 12 -15.822 7.654 -5.100 1.00 0.06 C ATOM 0 H5' DA B 12 -11.964 10.032 -7.129 1.00 0.07 H new ATOM 0 H5'' DA B 12 -11.791 10.799 -8.695 1.00 0.07 H new ATOM 0 H4' DA B 12 -12.518 8.816 -9.361 1.00 0.07 H new ATOM 0 H3' DA B 12 -14.370 10.504 -9.943 1.00 0.08 H new ATOM 0 H2' DA B 12 -15.652 10.484 -7.782 1.00 0.07 H new ATOM 0 H2'' DA B 12 -16.582 9.327 -8.715 1.00 0.07 H new ATOM 0 H1' DA B 12 -15.612 7.492 -7.694 1.00 0.07 H new ATOM 0 H8 DA B 12 -15.030 10.725 -5.567 1.00 0.06 H new ATOM 0 H61 DA B 12 -17.078 7.229 -0.889 1.00 0.06 H new ATOM 0 H62 DA B 12 -16.591 8.854 -1.385 1.00 0.06 H new ATOM 0 H2 DA B 12 -16.636 4.634 -4.514 1.00 0.06 H new ATOM 1409 P DC B 13 -16.175 8.917 -10.435 1.00 0.08 P ATOM 1410 OP1 DC B 13 -15.535 8.917 -11.772 1.00 0.09 O ATOM 1411 OP2 DC B 13 -17.100 10.030 -10.127 1.00 0.09 O ATOM 1412 O5' DC B 13 -16.877 7.486 -10.299 1.00 0.08 O ATOM 1413 C5' DC B 13 -16.059 6.328 -10.052 1.00 0.08 C ATOM 1414 C4' DC B 13 -16.930 5.086 -9.959 1.00 0.08 C ATOM 1415 O4' DC B 13 -17.410 4.946 -8.587 1.00 0.07 O ATOM 1416 C3' DC B 13 -18.203 5.102 -10.809 1.00 0.09 C ATOM 1417 O3' DC B 13 -18.750 3.838 -11.154 1.00 0.09 O ATOM 1418 C2' DC B 13 -19.210 5.802 -9.894 1.00 0.09 C ATOM 1419 C1' DC B 13 -18.781 5.304 -8.511 1.00 0.08 C ATOM 1420 N1 DC B 13 -18.936 6.317 -7.427 1.00 0.08 N ATOM 1421 C2 DC B 13 -19.368 5.878 -6.185 1.00 0.07 C ATOM 1422 O2 DC B 13 -19.605 4.671 -6.032 1.00 0.07 O ATOM 1423 N3 DC B 13 -19.517 6.785 -5.180 1.00 0.07 N ATOM 1424 C4 DC B 13 -19.251 8.070 -5.387 1.00 0.08 C ATOM 1425 N4 DC B 13 -19.410 8.909 -4.381 1.00 0.08 N ATOM 1426 C5 DC B 13 -18.804 8.551 -6.660 1.00 0.08 C ATOM 1427 C6 DC B 13 -18.662 7.630 -7.650 1.00 0.08 C ATOM 0 H5' DC B 13 -15.499 6.459 -9.126 1.00 0.08 H new ATOM 0 H5'' DC B 13 -15.329 6.211 -10.853 1.00 0.08 H new ATOM 0 H4' DC B 13 -16.285 4.282 -10.314 1.00 0.08 H new ATOM 0 H3' DC B 13 -17.980 5.569 -11.768 1.00 0.09 H new ATOM 0 H2' DC B 13 -19.149 6.887 -9.974 1.00 0.09 H new ATOM 0 H2'' DC B 13 -20.237 5.523 -10.128 1.00 0.09 H new ATOM 0 HO3' DC B 13 -19.558 3.967 -11.693 1.00 0.09 H new ATOM 0 H1' DC B 13 -19.429 4.466 -8.255 1.00 0.08 H new ATOM 0 H41 DC B 13 -19.214 9.902 -4.509 1.00 0.08 H new ATOM 0 H42 DC B 13 -19.729 8.565 -3.475 1.00 0.08 H new ATOM 0 H5 DC B 13 -18.590 9.596 -6.826 1.00 0.08 H new ATOM 0 H6 DC B 13 -18.327 7.946 -8.627 1.00 0.08 H new TER 1439 DC B 13 ATOM 1440 O5' DG C 14 -23.772 4.537 4.069 1.00 0.10 O ATOM 1441 C5' DG C 14 -24.726 3.761 3.320 1.00 0.10 C ATOM 1442 C4' DG C 14 -24.031 2.579 2.663 1.00 0.09 C ATOM 1443 O4' DG C 14 -23.491 3.008 1.376 1.00 0.09 O ATOM 1444 C3' DG C 14 -22.824 2.014 3.413 1.00 0.09 C ATOM 1445 O3' DG C 14 -22.479 0.664 3.134 1.00 0.09 O ATOM 1446 C2' DG C 14 -21.672 2.891 2.914 1.00 0.09 C ATOM 1447 C1' DG C 14 -22.082 3.149 1.462 1.00 0.08 C ATOM 1448 N9 DG C 14 -21.724 4.505 0.965 1.00 0.08 N ATOM 1449 C8 DG C 14 -21.761 5.718 1.622 1.00 0.09 C ATOM 1450 N7 DG C 14 -21.378 6.737 0.892 1.00 0.08 N ATOM 1451 C5 DG C 14 -21.063 6.164 -0.335 1.00 0.08 C ATOM 1452 C6 DG C 14 -20.588 6.764 -1.533 1.00 0.07 C ATOM 1453 O6 DG C 14 -20.345 7.947 -1.759 1.00 0.08 O ATOM 1454 N1 DG C 14 -20.397 5.807 -2.538 1.00 0.07 N ATOM 1455 C2 DG C 14 -20.633 4.455 -2.407 1.00 0.07 C ATOM 1456 N2 DG C 14 -20.388 3.707 -3.492 1.00 0.06 N ATOM 1457 N3 DG C 14 -21.078 3.895 -1.284 1.00 0.07 N ATOM 1458 C4 DG C 14 -21.267 4.810 -0.295 1.00 0.07 C ATOM 0 H5' DG C 14 -25.198 4.384 2.561 1.00 0.10 H new ATOM 0 H5'' DG C 14 -25.518 3.407 3.980 1.00 0.10 H new ATOM 0 H4' DG C 14 -24.801 1.809 2.618 1.00 0.09 H new ATOM 0 H3' DG C 14 -23.041 2.022 4.481 1.00 0.09 H new ATOM 0 H2' DG C 14 -21.585 3.816 3.485 1.00 0.09 H new ATOM 0 H2'' DG C 14 -20.711 2.382 2.983 1.00 0.09 H new ATOM 0 HO5' DG C 14 -24.226 5.298 4.488 1.00 0.10 H new ATOM 0 H1' DG C 14 -21.542 2.432 0.844 1.00 0.08 H new ATOM 0 H8 DG C 14 -22.078 5.819 2.649 1.00 0.09 H new ATOM 0 H1 DG C 14 -20.055 6.137 -3.440 1.00 0.07 H new ATOM 0 H21 DG C 14 -20.542 2.699 -3.462 1.00 0.06 H new ATOM 0 H22 DG C 14 -20.048 4.146 -4.348 1.00 0.06 H new ATOM 1470 P DT C 15 -21.033 0.499 3.328 1.00 0.08 P ATOM 1471 OP1 DT C 15 -21.609 -0.723 3.930 1.00 0.09 O ATOM 1472 OP2 DT C 15 -20.173 1.342 4.189 1.00 0.09 O ATOM 1473 O5' DT C 15 -20.274 0.009 2.008 1.00 0.08 O ATOM 1474 C5' DT C 15 -21.051 -0.351 0.849 1.00 0.07 C ATOM 1475 C4' DT C 15 -20.129 -0.784 -0.279 1.00 0.07 C ATOM 1476 O4' DT C 15 -19.710 0.398 -1.026 1.00 0.06 O ATOM 1477 C3' DT C 15 -18.819 -1.450 0.148 1.00 0.06 C ATOM 1478 O3' DT C 15 -18.201 -2.302 -0.804 1.00 0.06 O ATOM 1479 C2' DT C 15 -17.891 -0.255 0.368 1.00 0.06 C ATOM 1480 C1' DT C 15 -18.360 0.716 -0.717 1.00 0.06 C ATOM 1481 N1 DT C 15 -18.261 2.185 -0.299 1.00 0.06 N ATOM 1482 C2 DT C 15 -17.800 3.028 -1.275 1.00 0.06 C ATOM 1483 O2 DT C 15 -17.531 2.653 -2.405 1.00 0.05 O ATOM 1484 N3 DT C 15 -17.655 4.346 -0.896 1.00 0.06 N ATOM 1485 C4 DT C 15 -17.929 4.874 0.351 1.00 0.07 C ATOM 1486 O4 DT C 15 -17.759 6.072 0.574 1.00 0.07 O ATOM 1487 C5 DT C 15 -18.409 3.908 1.306 1.00 0.07 C ATOM 1488 C7 DT C 15 -18.729 4.399 2.688 1.00 0.08 C ATOM 1489 C6 DT C 15 -18.559 2.622 0.965 1.00 0.07 C ATOM 0 H5' DT C 15 -21.657 0.497 0.529 1.00 0.07 H new ATOM 0 H5'' DT C 15 -21.739 -1.159 1.098 1.00 0.07 H new ATOM 0 H4' DT C 15 -20.719 -1.509 -0.839 1.00 0.07 H new ATOM 0 H3' DT C 15 -19.016 -2.101 1.000 1.00 0.06 H new ATOM 0 H2' DT C 15 -17.999 0.167 1.367 1.00 0.06 H new ATOM 0 H2'' DT C 15 -16.842 -0.525 0.248 1.00 0.06 H new ATOM 0 H1' DT C 15 -17.706 0.602 -1.581 1.00 0.06 H new ATOM 0 H3 DT C 15 -17.312 4.994 -1.605 1.00 0.06 H new ATOM 0 H71 DT C 15 -18.088 5.247 2.931 1.00 0.08 H new ATOM 0 H72 DT C 15 -19.773 4.710 2.731 1.00 0.08 H new ATOM 0 H73 DT C 15 -18.559 3.598 3.407 1.00 0.08 H new ATOM 0 H6 DT C 15 -18.921 1.917 1.699 1.00 0.07 H new ATOM 1502 P DG C 16 -16.992 -2.238 -0.439 1.00 0.06 P ATOM 1503 OP1 DG C 16 -17.473 -3.619 -0.675 1.00 0.06 O ATOM 1504 OP2 DG C 16 -16.223 -1.990 0.801 1.00 0.06 O ATOM 1505 O5' DG C 16 -16.167 -1.845 -1.754 1.00 0.05 O ATOM 1506 C5' DG C 16 -16.885 -1.526 -2.960 1.00 0.05 C ATOM 1507 C4' DG C 16 -15.909 -1.183 -4.075 1.00 0.05 C ATOM 1508 O4' DG C 16 -15.575 0.234 -3.990 1.00 0.05 O ATOM 1509 C3' DG C 16 -14.557 -1.899 -4.014 1.00 0.05 C ATOM 1510 O3' DG C 16 -13.849 -2.020 -5.238 1.00 0.05 O ATOM 1511 C2' DG C 16 -13.733 -0.993 -3.097 1.00 0.05 C ATOM 1512 C1' DG C 16 -14.263 0.394 -3.467 1.00 0.05 C ATOM 1513 N9 DG C 16 -14.336 1.345 -2.321 1.00 0.05 N ATOM 1514 C8 DG C 16 -14.695 1.106 -1.013 1.00 0.05 C ATOM 1515 N7 DG C 16 -14.656 2.167 -0.246 1.00 0.06 N ATOM 1516 C5 DG C 16 -14.243 3.181 -1.102 1.00 0.05 C ATOM 1517 C6 DG C 16 -14.015 4.560 -0.852 1.00 0.06 C ATOM 1518 O6 DG C 16 -14.137 5.184 0.202 1.00 0.06 O ATOM 1519 N1 DG C 16 -13.602 5.228 -2.012 1.00 0.05 N ATOM 1520 C2 DG C 16 -13.429 4.640 -3.249 1.00 0.05 C ATOM 1521 N2 DG C 16 -13.026 5.456 -4.234 1.00 0.05 N ATOM 1522 N3 DG C 16 -13.640 3.349 -3.482 1.00 0.05 N ATOM 1523 C4 DG C 16 -14.042 2.684 -2.364 1.00 0.05 C ATOM 0 H5' DG C 16 -17.555 -0.685 -2.782 1.00 0.05 H new ATOM 0 H5'' DG C 16 -17.506 -2.371 -3.257 1.00 0.05 H new ATOM 0 H4' DG C 16 -16.424 -1.488 -4.986 1.00 0.05 H new ATOM 0 H3' DG C 16 -14.720 -2.928 -3.694 1.00 0.05 H new ATOM 0 H2' DG C 16 -13.893 -1.224 -2.044 1.00 0.05 H new ATOM 0 H2'' DG C 16 -12.663 -1.085 -3.285 1.00 0.05 H new ATOM 0 H1' DG C 16 -13.563 0.820 -4.186 1.00 0.05 H new ATOM 0 H8 DG C 16 -14.983 0.130 -0.652 1.00 0.05 H new ATOM 0 H1 DG C 16 -13.414 6.228 -1.937 1.00 0.05 H new ATOM 0 H21 DG C 16 -12.879 5.087 -5.174 1.00 0.05 H new ATOM 0 H22 DG C 16 -12.867 6.445 -4.044 1.00 0.05 H new ATOM 1535 P DA C 17 -12.264 -2.151 -5.206 1.00 0.05 P ATOM 1536 OP1 DA C 17 -11.923 -3.256 -6.134 1.00 0.06 O ATOM 1537 OP2 DA C 17 -11.728 -2.194 -3.829 1.00 0.05 O ATOM 1538 O5' DA C 17 -11.759 -0.846 -5.899 1.00 0.05 O ATOM 1539 C5' DA C 17 -12.620 0.085 -6.516 1.00 0.05 C ATOM 1540 C4' DA C 17 -11.755 1.257 -6.864 1.00 0.05 C ATOM 1541 O4' DA C 17 -11.683 2.077 -5.675 1.00 0.04 O ATOM 1542 C3' DA C 17 -10.355 0.730 -7.151 1.00 0.05 C ATOM 1543 O3' DA C 17 -9.569 1.604 -7.955 1.00 0.05 O ATOM 1544 C2' DA C 17 -9.764 0.723 -5.741 1.00 0.04 C ATOM 1545 C1' DA C 17 -10.402 1.945 -5.084 1.00 0.04 C ATOM 1546 N9 DA C 17 -10.604 1.839 -3.632 1.00 0.04 N ATOM 1547 C8 DA C 17 -10.940 0.745 -2.860 1.00 0.05 C ATOM 1548 N7 DA C 17 -11.065 1.018 -1.578 1.00 0.05 N ATOM 1549 C5 DA C 17 -10.786 2.378 -1.500 1.00 0.05 C ATOM 1550 C6 DA C 17 -10.746 3.290 -0.417 1.00 0.05 C ATOM 1551 N6 DA C 17 -10.988 2.963 0.868 1.00 0.06 N ATOM 1552 N1 DA C 17 -10.431 4.573 -0.703 1.00 0.05 N ATOM 1553 C2 DA C 17 -10.180 4.910 -1.975 1.00 0.04 C ATOM 1554 N3 DA C 17 -10.188 4.156 -3.061 1.00 0.04 N ATOM 1555 C4 DA C 17 -10.500 2.890 -2.757 1.00 0.04 C ATOM 0 H5' DA C 17 -13.427 0.378 -5.845 1.00 0.05 H new ATOM 0 H5'' DA C 17 -13.084 -0.339 -7.407 1.00 0.05 H new ATOM 0 H4' DA C 17 -12.141 1.811 -7.719 1.00 0.05 H new ATOM 0 H3' DA C 17 -10.374 -0.216 -7.692 1.00 0.05 H new ATOM 0 H2' DA C 17 -10.010 -0.195 -5.207 1.00 0.04 H new ATOM 0 H2'' DA C 17 -8.677 0.799 -5.761 1.00 0.04 H new ATOM 0 H1' DA C 17 -9.727 2.788 -5.236 1.00 0.04 H new ATOM 0 H8 DA C 17 -11.087 -0.243 -3.270 1.00 0.05 H new ATOM 0 H61 DA C 17 -10.940 3.678 1.594 1.00 0.06 H new ATOM 0 H62 DA C 17 -11.219 2.001 1.114 1.00 0.06 H new ATOM 0 H2 DA C 17 -9.935 5.949 -2.137 1.00 0.04 H new ATOM 1567 P DA C 18 -7.968 1.462 -7.968 1.00 0.05 P ATOM 1568 OP1 DA C 18 -7.528 1.271 -9.371 1.00 0.06 O ATOM 1569 OP2 DA C 18 -7.511 0.503 -6.933 1.00 0.05 O ATOM 1570 O5' DA C 18 -7.475 2.898 -7.527 1.00 0.05 O ATOM 1571 C5' DA C 18 -8.265 4.060 -7.755 1.00 0.06 C ATOM 1572 C4' DA C 18 -7.435 5.273 -7.424 1.00 0.05 C ATOM 1573 O4' DA C 18 -7.551 5.527 -6.012 1.00 0.05 O ATOM 1574 C3' DA C 18 -5.945 5.055 -7.680 1.00 0.05 C ATOM 1575 O3' DA C 18 -5.267 6.307 -7.848 1.00 0.05 O ATOM 1576 C2' DA C 18 -5.483 4.428 -6.389 1.00 0.05 C ATOM 1577 C1' DA C 18 -6.339 5.152 -5.380 1.00 0.05 C ATOM 1578 N9 DA C 18 -6.648 4.316 -4.238 1.00 0.05 N ATOM 1579 C8 DA C 18 -6.924 2.978 -4.199 1.00 0.05 C ATOM 1580 N7 DA C 18 -7.072 2.510 -2.985 1.00 0.05 N ATOM 1581 C5 DA C 18 -6.900 3.629 -2.182 1.00 0.05 C ATOM 1582 C6 DA C 18 -6.928 3.808 -0.805 1.00 0.05 C ATOM 1583 N6 DA C 18 -7.141 2.819 0.064 1.00 0.05 N ATOM 1584 N1 DA C 18 -6.724 5.059 -0.337 1.00 0.04 N ATOM 1585 C2 DA C 18 -6.499 6.045 -1.208 1.00 0.04 C ATOM 1586 N3 DA C 18 -6.444 5.998 -2.520 1.00 0.04 N ATOM 1587 C4 DA C 18 -6.655 4.746 -2.946 1.00 0.04 C ATOM 0 H5' DA C 18 -9.163 4.035 -7.138 1.00 0.06 H new ATOM 0 H5'' DA C 18 -8.593 4.097 -8.794 1.00 0.06 H new ATOM 0 H4' DA C 18 -7.798 6.087 -8.051 1.00 0.05 H new ATOM 0 H3' DA C 18 -5.751 4.463 -8.574 1.00 0.05 H new ATOM 0 H2' DA C 18 -5.652 3.351 -6.373 1.00 0.05 H new ATOM 0 H2'' DA C 18 -4.419 4.587 -6.214 1.00 0.05 H new ATOM 0 H1' DA C 18 -5.789 6.022 -5.021 1.00 0.05 H new ATOM 0 H8 DA C 18 -7.012 2.366 -5.084 1.00 0.05 H new ATOM 0 H61 DA C 18 -7.150 3.013 1.065 1.00 0.05 H new ATOM 0 H62 DA C 18 -7.295 1.869 -0.273 1.00 0.05 H new ATOM 0 H2 DA C 18 -6.339 7.020 -0.772 1.00 0.04 H new ATOM 1599 P DC C 19 -3.657 6.393 -7.646 1.00 0.05 P ATOM 1600 OP1 DC C 19 -3.073 6.947 -8.894 1.00 0.06 O ATOM 1601 OP2 DC C 19 -3.108 5.127 -7.102 1.00 0.05 O ATOM 1602 O5' DC C 19 -3.426 7.512 -6.529 1.00 0.04 O ATOM 1603 C5' DC C 19 -4.408 8.506 -6.203 1.00 0.05 C ATOM 1604 C4' DC C 19 -3.741 9.675 -5.512 1.00 0.05 C ATOM 1605 O4' DC C 19 -3.721 9.385 -4.092 1.00 0.05 O ATOM 1606 C3' DC C 19 -2.291 9.900 -5.951 1.00 0.05 C ATOM 1607 O3' DC C 19 -1.793 11.251 -5.726 1.00 0.06 O ATOM 1608 C2' DC C 19 -1.588 8.946 -4.985 1.00 0.04 C ATOM 1609 C1' DC C 19 -2.410 9.040 -3.685 1.00 0.04 C ATOM 1610 N1 DC C 19 -2.497 7.766 -2.920 1.00 0.04 N ATOM 1611 C2 DC C 19 -2.631 7.786 -1.503 1.00 0.04 C ATOM 1612 O2 DC C 19 -2.759 8.873 -0.914 1.00 0.05 O ATOM 1613 N3 DC C 19 -2.619 6.607 -0.822 1.00 0.05 N ATOM 1614 C4 DC C 19 -2.495 5.455 -1.485 1.00 0.05 C ATOM 1615 N4 DC C 19 -2.450 4.325 -0.777 1.00 0.06 N ATOM 1616 C5 DC C 19 -2.402 5.405 -2.910 1.00 0.05 C ATOM 1617 C6 DC C 19 -2.417 6.570 -3.577 1.00 0.04 C ATOM 0 H5' DC C 19 -5.173 8.077 -5.556 1.00 0.05 H new ATOM 0 H5'' DC C 19 -4.911 8.845 -7.109 1.00 0.05 H new ATOM 0 H4' DC C 19 -4.305 10.572 -5.769 1.00 0.05 H new ATOM 0 H3' DC C 19 -2.146 9.744 -7.020 1.00 0.05 H new ATOM 0 H2' DC C 19 -1.574 7.927 -5.373 1.00 0.04 H new ATOM 0 H2'' DC C 19 -0.551 9.239 -4.821 1.00 0.04 H new ATOM 0 H1' DC C 19 -1.927 9.760 -3.025 1.00 0.04 H new ATOM 0 H41 DC C 19 -2.356 3.428 -1.253 1.00 0.06 H new ATOM 0 H42 DC C 19 -2.510 4.358 0.241 1.00 0.06 H new ATOM 0 H5 DC C 19 -2.322 4.463 -3.432 1.00 0.05 H new ATOM 0 H6 DC C 19 -2.365 6.562 -4.656 1.00 0.04 H new ATOM 1629 P DT C 20 -0.198 11.545 -5.522 1.00 0.06 P ATOM 1630 OP1 DT C 20 0.186 12.691 -6.393 1.00 0.08 O ATOM 1631 OP2 DT C 20 0.586 10.289 -5.620 1.00 0.05 O ATOM 1632 O5' DT C 20 0.019 12.106 -4.055 1.00 0.06 O ATOM 1633 C5' DT C 20 -0.974 12.809 -3.321 1.00 0.07 C ATOM 1634 C4' DT C 20 -0.358 13.279 -2.031 1.00 0.08 C ATOM 1635 O4' DT C 20 -0.437 12.198 -1.069 1.00 0.07 O ATOM 1636 C3' DT C 20 1.133 13.570 -2.185 1.00 0.07 C ATOM 1637 O3' DT C 20 1.580 14.444 -1.181 1.00 0.08 O ATOM 1638 C2' DT C 20 1.769 12.221 -1.941 1.00 0.06 C ATOM 1639 C1' DT C 20 0.855 11.635 -0.888 1.00 0.05 C ATOM 1640 N1 DT C 20 0.764 10.184 -0.997 1.00 0.04 N ATOM 1641 C2 DT C 20 0.664 9.445 0.149 1.00 0.04 C ATOM 1642 O2 DT C 20 0.591 9.948 1.258 1.00 0.04 O ATOM 1643 N3 DT C 20 0.663 8.093 -0.051 1.00 0.04 N ATOM 1644 C4 DT C 20 0.735 7.431 -1.256 1.00 0.04 C ATOM 1645 O4 DT C 20 0.738 6.208 -1.270 1.00 0.05 O ATOM 1646 C5 DT C 20 0.806 8.284 -2.425 1.00 0.04 C ATOM 1647 C7 DT C 20 0.899 7.668 -3.789 1.00 0.05 C ATOM 1648 C6 DT C 20 0.810 9.605 -2.244 1.00 0.04 C ATOM 0 H5' DT C 20 -1.828 12.162 -3.121 1.00 0.07 H new ATOM 0 H5'' DT C 20 -1.344 13.657 -3.897 1.00 0.07 H new ATOM 0 H4' DT C 20 -0.890 14.180 -1.725 1.00 0.08 H new ATOM 0 H3' DT C 20 1.367 14.024 -3.148 1.00 0.07 H new ATOM 0 H2' DT C 20 1.795 11.612 -2.845 1.00 0.06 H new ATOM 0 H2'' DT C 20 2.796 12.311 -1.587 1.00 0.06 H new ATOM 0 H1' DT C 20 1.258 11.867 0.098 1.00 0.05 H new ATOM 0 H3 DT C 20 0.602 7.511 0.784 1.00 0.04 H new ATOM 0 H71 DT C 20 0.428 8.327 -4.519 1.00 0.05 H new ATOM 0 H72 DT C 20 1.947 7.525 -4.053 1.00 0.05 H new ATOM 0 H73 DT C 20 0.390 6.704 -3.788 1.00 0.05 H new ATOM 0 H6 DT C 20 0.851 10.247 -3.112 1.00 0.04 H new ATOM 1661 P DT C 21 3.144 14.485 -0.836 1.00 0.08 P ATOM 1662 OP1 DT C 21 3.585 15.903 -0.879 1.00 0.10 O ATOM 1663 OP2 DT C 21 3.959 13.458 -1.526 1.00 0.07 O ATOM 1664 O5' DT C 21 3.101 14.120 0.698 1.00 0.08 O ATOM 1665 C5' DT C 21 1.870 13.963 1.408 1.00 0.08 C ATOM 1666 C4' DT C 21 2.181 13.511 2.804 1.00 0.07 C ATOM 1667 O4' DT C 21 2.366 12.082 2.754 1.00 0.07 O ATOM 1668 C3' DT C 21 3.518 14.124 3.125 1.00 0.07 C ATOM 1669 O3' DT C 21 3.785 14.247 4.453 1.00 0.07 O ATOM 1670 C2' DT C 21 4.500 13.104 2.588 1.00 0.07 C ATOM 1671 C1' DT C 21 3.744 11.802 2.887 1.00 0.07 C ATOM 1672 N1 DT C 21 4.061 10.713 1.970 1.00 0.06 N ATOM 1673 C2 DT C 21 4.080 9.409 2.420 1.00 0.06 C ATOM 1674 O2 DT C 21 3.886 9.095 3.578 1.00 0.06 O ATOM 1675 N3 DT C 21 4.353 8.484 1.448 1.00 0.05 N ATOM 1676 C4 DT C 21 4.599 8.726 0.113 1.00 0.06 C ATOM 1677 O4 DT C 21 4.801 7.783 -0.656 1.00 0.06 O ATOM 1678 C5 DT C 21 4.572 10.124 -0.271 1.00 0.06 C ATOM 1679 C7 DT C 21 4.844 10.516 -1.686 1.00 0.08 C ATOM 1680 C6 DT C 21 4.310 11.034 0.665 1.00 0.07 C ATOM 0 H5' DT C 21 1.234 13.234 0.907 1.00 0.08 H new ATOM 0 H5'' DT C 21 1.321 14.905 1.428 1.00 0.08 H new ATOM 0 H4' DT C 21 1.408 13.781 3.523 1.00 0.07 H new ATOM 0 H3' DT C 21 3.562 15.131 2.710 1.00 0.07 H new ATOM 0 H2' DT C 21 4.694 13.236 1.523 1.00 0.07 H new ATOM 0 H2'' DT C 21 5.464 13.149 3.095 1.00 0.07 H new ATOM 0 H1' DT C 21 4.033 11.476 3.886 1.00 0.07 H new ATOM 0 H3 DT C 21 4.377 7.508 1.744 1.00 0.05 H new ATOM 0 H71 DT C 21 5.524 9.795 -2.139 1.00 0.08 H new ATOM 0 H72 DT C 21 3.908 10.533 -2.245 1.00 0.08 H new ATOM 0 H73 DT C 21 5.298 11.507 -1.708 1.00 0.08 H new ATOM 0 H6 DT C 21 4.293 12.075 0.379 1.00 0.07 H new ATOM 1693 P DT C 22 5.284 14.347 4.923 1.00 0.07 P ATOM 1694 OP1 DT C 22 4.869 15.541 5.693 1.00 0.08 O ATOM 1695 OP2 DT C 22 6.389 14.515 3.956 1.00 0.07 O ATOM 1696 O5' DT C 22 5.599 13.224 6.018 1.00 0.07 O ATOM 1697 C5' DT C 22 4.503 12.570 6.684 1.00 0.07 C ATOM 1698 C4' DT C 22 5.032 11.546 7.675 1.00 0.07 C ATOM 1699 O4' DT C 22 5.254 10.284 6.976 1.00 0.06 O ATOM 1700 C3' DT C 22 6.385 11.873 8.311 1.00 0.07 C ATOM 1701 O3' DT C 22 6.663 11.259 9.560 1.00 0.07 O ATOM 1702 C2' DT C 22 7.381 11.316 7.292 1.00 0.07 C ATOM 1703 C1' DT C 22 6.647 10.077 6.777 1.00 0.06 C ATOM 1704 N1 DT C 22 6.917 9.783 5.301 1.00 0.06 N ATOM 1705 C2 DT C 22 7.100 8.457 5.005 1.00 0.06 C ATOM 1706 O2 DT C 22 7.008 7.572 5.839 1.00 0.06 O ATOM 1707 N3 DT C 22 7.399 8.183 3.687 1.00 0.06 N ATOM 1708 C4 DT C 22 7.525 9.104 2.666 1.00 0.06 C ATOM 1709 O4 DT C 22 7.796 8.739 1.523 1.00 0.06 O ATOM 1710 C5 DT C 22 7.316 10.467 3.076 1.00 0.06 C ATOM 1711 C7 DT C 22 7.433 11.536 2.029 1.00 0.07 C ATOM 1712 C6 DT C 22 7.025 10.765 4.351 1.00 0.06 C ATOM 0 H5' DT C 22 3.861 12.081 5.951 1.00 0.07 H new ATOM 0 H5'' DT C 22 3.890 13.307 7.203 1.00 0.07 H new ATOM 0 H4' DT C 22 4.276 11.521 8.460 1.00 0.07 H new ATOM 0 H3' DT C 22 6.424 12.941 8.524 1.00 0.07 H new ATOM 0 H2' DT C 22 7.590 12.028 6.494 1.00 0.07 H new ATOM 0 H2'' DT C 22 8.337 11.063 7.751 1.00 0.07 H new ATOM 0 H1' DT C 22 7.013 9.212 7.331 1.00 0.06 H new ATOM 0 H3 DT C 22 7.541 7.203 3.442 1.00 0.06 H new ATOM 0 H71 DT C 22 8.145 11.222 1.266 1.00 0.07 H new ATOM 0 H72 DT C 22 6.459 11.703 1.570 1.00 0.07 H new ATOM 0 H73 DT C 22 7.780 12.461 2.490 1.00 0.07 H new ATOM 0 H6 DT C 22 6.873 11.796 4.634 1.00 0.06 H new ATOM 1725 P DC C 23 7.935 11.248 9.523 1.00 0.07 P ATOM 1726 OP1 DC C 23 7.361 11.770 10.785 1.00 0.07 O ATOM 1727 OP2 DC C 23 9.042 12.018 8.913 1.00 0.07 O ATOM 1728 O5' DC C 23 8.347 9.736 9.838 1.00 0.07 O ATOM 1729 C5' DC C 23 7.315 8.734 9.930 1.00 0.07 C ATOM 1730 C4' DC C 23 7.933 7.378 10.232 1.00 0.07 C ATOM 1731 O4' DC C 23 8.321 6.747 8.977 1.00 0.07 O ATOM 1732 C3' DC C 23 9.219 7.403 11.062 1.00 0.08 C ATOM 1733 O3' DC C 23 9.530 6.218 11.781 1.00 0.08 O ATOM 1734 C2' DC C 23 10.305 7.590 10.001 1.00 0.07 C ATOM 1735 C1' DC C 23 9.732 6.797 8.823 1.00 0.07 C ATOM 1736 N1 DC C 23 10.033 7.389 7.487 1.00 0.07 N ATOM 1737 C2 DC C 23 10.326 6.526 6.443 1.00 0.07 C ATOM 1738 O2 DC C 23 10.325 5.307 6.662 1.00 0.07 O ATOM 1739 N3 DC C 23 10.603 7.045 5.216 1.00 0.06 N ATOM 1740 C4 DC C 23 10.594 8.360 5.023 1.00 0.07 C ATOM 1741 N4 DC C 23 10.869 8.815 3.813 1.00 0.07 N ATOM 1742 C5 DC C 23 10.295 9.273 6.082 1.00 0.07 C ATOM 1743 C6 DC C 23 10.020 8.736 7.300 1.00 0.07 C ATOM 0 H5' DC C 23 6.757 8.688 8.995 1.00 0.07 H new ATOM 0 H5'' DC C 23 6.605 9.002 10.713 1.00 0.07 H new ATOM 0 H4' DC C 23 7.164 6.856 10.801 1.00 0.07 H new ATOM 0 H3' DC C 23 9.125 8.170 11.831 1.00 0.08 H new ATOM 0 H2' DC C 23 10.457 8.640 9.752 1.00 0.07 H new ATOM 0 H2'' DC C 23 11.268 7.198 10.328 1.00 0.07 H new ATOM 0 H1' DC C 23 10.199 5.813 8.843 1.00 0.07 H new ATOM 0 H41 DC C 23 10.870 9.819 3.634 1.00 0.07 H new ATOM 0 H42 DC C 23 11.080 8.162 3.058 1.00 0.07 H new ATOM 0 H5 DC C 23 10.288 10.341 5.921 1.00 0.07 H new ATOM 0 H6 DC C 23 9.788 9.387 8.130 1.00 0.07 H new ATOM 1755 P DG C 24 10.984 6.254 11.787 1.00 0.08 P ATOM 1756 OP1 DG C 24 10.400 5.879 13.093 1.00 0.09 O ATOM 1757 OP2 DG C 24 11.994 7.336 11.783 1.00 0.08 O ATOM 1758 O5' DG C 24 11.550 4.890 11.169 1.00 0.08 O ATOM 1759 C5' DG C 24 10.623 3.932 10.623 1.00 0.08 C ATOM 1760 C4' DG C 24 11.376 2.722 10.094 1.00 0.08 C ATOM 1761 O4' DG C 24 11.790 2.989 8.720 1.00 0.08 O ATOM 1762 C3' DG C 24 12.676 2.376 10.824 1.00 0.09 C ATOM 1763 O3' DG C 24 13.122 1.033 10.726 1.00 0.09 O ATOM 1764 C2' DG C 24 13.710 3.254 10.112 1.00 0.09 C ATOM 1765 C1' DG C 24 13.186 3.253 8.673 1.00 0.08 C ATOM 1766 N9 DG C 24 13.390 4.539 7.951 1.00 0.08 N ATOM 1767 C8 DG C 24 13.284 5.831 8.425 1.00 0.08 C ATOM 1768 N7 DG C 24 13.527 6.750 7.524 1.00 0.08 N ATOM 1769 C5 DG C 24 13.811 6.023 6.374 1.00 0.08 C ATOM 1770 C6 DG C 24 14.150 6.462 5.067 1.00 0.08 C ATOM 1771 O6 DG C 24 14.274 7.612 4.647 1.00 0.08 O ATOM 1772 N1 DG C 24 14.360 5.380 4.201 1.00 0.08 N ATOM 1773 C2 DG C 24 14.256 4.048 4.551 1.00 0.08 C ATOM 1774 N2 DG C 24 14.493 3.166 3.575 1.00 0.08 N ATOM 1775 N3 DG C 24 13.939 3.639 5.776 1.00 0.08 N ATOM 1776 C4 DG C 24 13.732 4.679 6.629 1.00 0.08 C ATOM 0 H5' DG C 24 10.045 4.390 9.821 1.00 0.08 H new ATOM 0 H5'' DG C 24 9.914 3.622 11.390 1.00 0.08 H new ATOM 0 H4' DG C 24 10.676 1.896 10.222 1.00 0.08 H new ATOM 0 H3' DG C 24 12.528 2.532 11.893 1.00 0.09 H new ATOM 0 H2' DG C 24 13.751 4.259 10.531 1.00 0.09 H new ATOM 0 H2'' DG C 24 14.716 2.839 10.181 1.00 0.09 H new ATOM 0 H1' DG C 24 13.748 2.495 8.128 1.00 0.08 H new ATOM 0 H8 DG C 24 13.024 6.063 9.447 1.00 0.08 H new ATOM 0 H1 DG C 24 14.610 5.593 3.235 1.00 0.08 H new ATOM 0 H21 DG C 24 14.433 2.166 3.766 1.00 0.08 H new ATOM 0 H22 DG C 24 14.734 3.493 2.639 1.00 0.08 H new ATOM 1788 P DG C 25 14.574 1.215 10.810 1.00 0.10 P ATOM 1789 OP1 DG C 25 14.068 0.098 11.637 1.00 0.10 O ATOM 1790 OP2 DG C 25 15.476 2.190 11.463 1.00 0.10 O ATOM 1791 O5' DG C 25 15.251 0.525 9.534 1.00 0.10 O ATOM 1792 C5' DG C 25 14.404 -0.021 8.506 1.00 0.09 C ATOM 1793 C4' DG C 25 15.251 -0.623 7.399 1.00 0.09 C ATOM 1794 O4' DG C 25 15.597 0.429 6.443 1.00 0.09 O ATOM 1795 C3' DG C 25 16.601 -1.200 7.831 1.00 0.10 C ATOM 1796 O3' DG C 25 17.172 -2.188 6.984 1.00 0.10 O ATOM 1797 C2' DG C 25 17.522 0.023 7.791 1.00 0.10 C ATOM 1798 C1' DG C 25 16.957 0.803 6.603 1.00 0.09 C ATOM 1799 N9 DG C 25 17.013 2.283 6.767 1.00 0.09 N ATOM 1800 C8 DG C 25 16.798 3.044 7.898 1.00 0.09 C ATOM 1801 N7 DG C 25 16.923 4.334 7.705 1.00 0.09 N ATOM 1802 C5 DG C 25 17.242 4.441 6.355 1.00 0.09 C ATOM 1803 C6 DG C 25 17.497 5.587 5.557 1.00 0.09 C ATOM 1804 O6 DG C 25 17.495 6.772 5.887 1.00 0.09 O ATOM 1805 N1 DG C 25 17.782 5.232 4.232 1.00 0.09 N ATOM 1806 C2 DG C 25 17.817 3.943 3.742 1.00 0.09 C ATOM 1807 N2 DG C 25 18.108 3.815 2.440 1.00 0.09 N ATOM 1808 N3 DG C 25 17.579 2.870 4.493 1.00 0.09 N ATOM 1809 C4 DG C 25 17.302 3.197 5.782 1.00 0.09 C ATOM 0 H5' DG C 25 13.762 0.760 8.100 1.00 0.09 H new ATOM 0 H5'' DG C 25 13.750 -0.783 8.929 1.00 0.09 H new ATOM 0 H4' DG C 25 14.636 -1.433 7.006 1.00 0.09 H new ATOM 0 H3' DG C 25 16.473 -1.708 8.787 1.00 0.10 H new ATOM 0 H2' DG C 25 17.478 0.598 8.716 1.00 0.10 H new ATOM 0 H2'' DG C 25 18.565 -0.255 7.638 1.00 0.10 H new ATOM 0 H1' DG C 25 17.573 0.557 5.738 1.00 0.09 H new ATOM 0 H8 DG C 25 16.549 2.614 8.857 1.00 0.09 H new ATOM 0 H1 DG C 25 17.980 5.988 3.576 1.00 0.09 H new ATOM 0 H21 DG C 25 18.150 2.888 2.015 1.00 0.09 H new ATOM 0 H22 DG C 25 18.288 4.644 1.874 1.00 0.09 H new ATOM 1821 P DT C 26 18.635 -2.118 7.100 1.00 0.11 P ATOM 1822 OP1 DT C 26 18.351 -3.571 7.087 1.00 0.11 O ATOM 1823 OP2 DT C 26 19.387 -1.587 8.259 1.00 0.11 O ATOM 1824 O5' DT C 26 19.362 -1.811 5.710 1.00 0.11 O ATOM 1825 C5' DT C 26 18.576 -1.776 4.504 1.00 0.10 C ATOM 1826 C4' DT C 26 19.468 -1.470 3.311 1.00 0.10 C ATOM 1827 O4' DT C 26 19.595 -0.022 3.176 1.00 0.10 O ATOM 1828 C3' DT C 26 20.910 -1.973 3.414 1.00 0.11 C ATOM 1829 O3' DT C 26 21.599 -2.172 2.186 1.00 0.11 O ATOM 1830 C2' DT C 26 21.614 -0.835 4.154 1.00 0.11 C ATOM 1831 C1' DT C 26 20.882 0.395 3.612 1.00 0.11 C ATOM 1832 N1 DT C 26 20.736 1.514 4.644 1.00 0.11 N ATOM 1833 C2 DT C 26 20.951 2.776 4.154 1.00 0.11 C ATOM 1834 O2 DT C 26 21.192 3.001 2.979 1.00 0.11 O ATOM 1835 N3 DT C 26 20.874 3.790 5.086 1.00 0.11 N ATOM 1836 C4 DT C 26 20.607 3.649 6.431 1.00 0.11 C ATOM 1837 O4 DT C 26 20.565 4.635 7.168 1.00 0.11 O ATOM 1838 C5 DT C 26 20.397 2.288 6.850 1.00 0.11 C ATOM 1839 C7 DT C 26 20.100 2.044 8.299 1.00 0.11 C ATOM 1840 C6 DT C 26 20.464 1.284 5.965 1.00 0.11 C ATOM 0 H5' DT C 26 17.797 -1.019 4.590 1.00 0.10 H new ATOM 0 H5'' DT C 26 18.075 -2.733 4.358 1.00 0.10 H new ATOM 0 H4' DT C 26 18.982 -1.977 2.477 1.00 0.10 H new ATOM 0 H3' DT C 26 20.907 -2.956 3.885 1.00 0.11 H new ATOM 0 H2' DT C 26 21.513 -0.927 5.235 1.00 0.11 H new ATOM 0 H2'' DT C 26 22.681 -0.804 3.935 1.00 0.11 H new ATOM 0 HO3' DT C 26 22.508 -2.491 2.369 1.00 0.11 H new ATOM 0 H1' DT C 26 21.473 0.808 2.795 1.00 0.11 H new ATOM 0 H3 DT C 26 21.030 4.739 4.746 1.00 0.11 H new ATOM 0 H71 DT C 26 20.585 2.810 8.904 1.00 0.11 H new ATOM 0 H72 DT C 26 19.023 2.081 8.461 1.00 0.11 H new ATOM 0 H73 DT C 26 20.476 1.063 8.587 1.00 0.11 H new ATOM 0 H6 DT C 26 20.300 0.271 6.302 1.00 0.11 H new TER 1854 DT C 26 HETATM 1855 ZN ZN A 901 3.976 -1.672 -9.216 1.00 0.03 ZN HETATM 1856 ZN ZN A 902 -9.837 -6.424 7.815 1.00 0.03 ZN CONECT 58 1855 CONECT 117 1855 CONECT 281 1855 CONECT 366 1855 CONECT 669 1856 CONECT 728 1856 CONECT 892 1856 CONECT 977 1856 CONECT 1855 58 117 281 366 CONECT 1856 669 728 892 977 END