Browse entries in the PDBbind-CN Database
HEADER INTEGRASE/DNA 21-JAN-99 1B69 TITLE THE SOLUTION STRUCTURE OF TN916 INTEGRASE N-TERMINAL DOMAIN/DNA TITLE 2 COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (5'-D(*GP*AP*GP*TP*AP*GP*TP*AP*AP*AP*TP*TP*C)-3'); COMPND 3 CHAIN: B; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*GP*AP*AP*TP*TP*TP*AP*CP*TP*AP*CP*TP*C)-3'); COMPND 7 CHAIN: C; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: PROTEIN (INTEGRASE); COMPND 11 CHAIN: A; COMPND 12 FRAGMENT: N-TERMINAL DNA BINDING DOMAIN; COMPND 13 ENGINEERED: YES; COMPND 14 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 4 ORGANISM_TAXID: 32630; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: YES; SOURCE 7 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 8 ORGANISM_TAXID: 32630; SOURCE 9 MOL_ID: 3; SOURCE 10 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; SOURCE 11 ORGANISM_TAXID: 1351; SOURCE 12 STRAIN: BL21(DE3); SOURCE 13 CELLULAR_LOCATION: CYTOPLASM; SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 15 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 16 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 17 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 18 EXPRESSION_SYSTEM_PLASMID: PET11A KEYWDS INTEGRASE, DNA BINDING, TRANSPOSITION, COMPLEX, BETA-SHEET KEYWDS 2 RECOGNITION, INTEGRASE-DNA COMPLEX EXPDTA SOLUTION NMR AUTHOR R.T.CLUBB,J.M.WOJCIAK,K.M.CONNOLLY REVDAT 6 16-OCT-19 1B69 1 SOURCE REMARK ATOM REVDAT 5 14-MAR-18 1B69 1 REMARK SEQADV REVDAT 4 24-FEB-09 1B69 1 VERSN REVDAT 3 01-APR-03 1B69 1 JRNL REVDAT 2 28-OCT-99 1B69 1 HELIX REVDAT 1 29-SEP-99 1B69 0 JRNL AUTH J.M.WOJCIAK,K.M.CONNOLLY,R.T.CLUBB JRNL TITL NMR STRUCTURE OF THE TN916 INTEGRASE-DNA COMPLEX. JRNL REF NAT.STRUCT.BIOL. V. 6 366 1999 JRNL REFN ISSN 1072-8368 JRNL PMID 10201406 JRNL DOI 10.1038/7603 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.843 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1B69 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUL-99. REMARK 100 THE DEPOSITION ID IS D_1000007237. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 305 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY ETC. REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.843 REMARK 210 METHOD USED : DISTANCE GEOMETRY AND SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THREE AND FOUR-DIMENSIONAL HETERONUCLEAR NMR EXPERIMENTS 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: B, C, A 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DT C 125 C5 DT C 125 C7 0.036 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DG B 101 O4' - C1' - N9 ANGL. DEV. = 3.5 DEGREES REMARK 500 DA B 102 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DG B 103 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DT B 104 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 105 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG B 106 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DT B 107 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DA B 108 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA B 109 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 DA B 110 O4' - C1' - N9 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT B 111 O4' - C1' - N1 ANGL. DEV. = 2.8 DEGREES REMARK 500 DT B 112 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DC B 113 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DG C 114 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DA C 115 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA C 116 O4' - C1' - N9 ANGL. DEV. = 3.4 DEGREES REMARK 500 DT C 117 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DT C 118 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DT C 119 O4' - C1' - N1 ANGL. DEV. = 2.4 DEGREES REMARK 500 DA C 120 O4' - C1' - N9 ANGL. DEV. = 2.4 DEGREES REMARK 500 DC C 121 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DT C 122 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DT C 122 C6 - C5 - C7 ANGL. DEV. = -3.7 DEGREES REMARK 500 DA C 123 O4' - C1' - N9 ANGL. DEV. = 2.5 DEGREES REMARK 500 DC C 124 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DT C 125 O4' - C1' - N1 ANGL. DEV. = 3.0 DEGREES REMARK 500 DC C 126 O4' - C1' - N1 ANGL. DEV. = 2.4 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 ARG A 9 -108.02 -104.99 REMARK 500 THR A 15 162.79 -46.76 REMARK 500 SER A 18 -162.84 -176.07 REMARK 500 ARG A 20 -154.16 -84.65 REMARK 500 SER A 32 11.66 -66.56 REMARK 500 PRO A 36 151.92 -42.80 REMARK 500 ALA A 46 65.70 -69.42 REMARK 500 THR A 47 -31.56 -151.78 REMARK 500 ASP A 48 -164.11 -68.14 REMARK 500 LYS A 69 -94.59 -74.50 REMARK 500 ASP A 70 -44.59 -157.23 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1TN9 RELATED DB: PDB REMARK 900 20 STRUCTURES DBREF 1B69 A 3 71 UNP P22886 TNR6_ENTFA 3 71 DBREF 1B69 B 101 113 PDB 1B69 1B69 101 113 DBREF 1B69 C 114 126 PDB 1B69 1B69 114 126 SEQADV 1B69 ALA A 57 UNP P22886 CYS 57 ENGINEERED MUTATION SEQRES 1 B 13 DG DA DG DT DA DG DT DA DA DA DT DT DC SEQRES 1 C 13 DG DA DA DT DT DT DA DC DT DA DC DT DC SEQRES 1 A 69 GLU LYS ARG ARG ASP ASN ARG GLY ARG ILE LEU LYS THR SEQRES 2 A 69 GLY GLU SER GLN ARG LYS ASP GLY ARG TYR LEU TYR LYS SEQRES 3 A 69 TYR ILE ASP SER PHE GLY GLU PRO GLN PHE VAL TYR SER SEQRES 4 A 69 TRP LYS LEU VAL ALA THR ASP ARG VAL PRO ALA GLY LYS SEQRES 5 A 69 ARG ASP ALA ILE SER LEU ARG GLU LYS ILE ALA GLU LEU SEQRES 6 A 69 GLN LYS ASP ILE HELIX 1 1 SER A 59 LYS A 69 1 11 SHEET 1 A 3 GLU A 17 GLN A 19 0 SHEET 2 A 3 TYR A 25 ILE A 30 0 SHEET 3 A 3 PRO A 36 SER A 41 0 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 ATOM 1 O5' DG B 101 -2.075 -15.300 0.473 1.00 0.76 O ATOM 2 C5' DG B 101 -1.603 -15.582 1.793 1.00 0.77 C ATOM 3 C4' DG B 101 -0.067 -15.626 1.849 1.00 0.70 C ATOM 4 O4' DG B 101 0.461 -16.135 0.603 1.00 0.69 O ATOM 5 C3' DG B 101 0.574 -14.249 2.103 1.00 0.63 C ATOM 6 O3' DG B 101 1.232 -14.220 3.371 1.00 0.65 O ATOM 7 C2' DG B 101 1.578 -14.057 0.986 1.00 0.57 C ATOM 8 C1' DG B 101 1.604 -15.359 0.198 1.00 0.62 C ATOM 9 N9 DG B 101 1.602 -15.099 -1.255 1.00 0.60 N ATOM 10 C8 DG B 101 0.581 -14.684 -2.062 1.00 0.60 C ATOM 11 N7 DG B 101 0.897 -14.529 -3.315 1.00 0.59 N ATOM 12 C5 DG B 101 2.249 -14.870 -3.347 1.00 0.62 C ATOM 13 C6 DG B 101 3.160 -14.897 -4.441 1.00 0.70 C ATOM 14 O6 DG B 101 2.947 -14.618 -5.619 1.00 0.70 O ATOM 15 N1 DG B 101 4.428 -15.300 -4.037 1.00 0.86 N ATOM 16 C2 DG B 101 4.779 -15.635 -2.747 1.00 0.90 C ATOM 17 N2 DG B 101 6.044 -16.004 -2.556 1.00 1.11 N ATOM 18 N3 DG B 101 3.927 -15.611 -1.719 1.00 0.79 N ATOM 19 C4 DG B 101 2.686 -15.221 -2.090 1.00 0.65 C ATOM 20 H5' DG B 101 -1.998 -16.551 2.103 1.00 0.96 H ATOM 21 H5'' DG B 101 -1.972 -14.819 2.477 1.00 0.74 H ATOM 22 H4' DG B 101 0.234 -16.296 2.651 1.00 0.73 H ATOM 23 H3' DG B 101 -0.173 -13.456 2.070 1.00 0.64 H ATOM 24 H2' DG B 101 1.272 -13.237 0.333 1.00 0.54 H ATOM 25 H2'' DG B 101 2.564 -13.847 1.407 1.00 0.56 H ATOM 26 H1' DG B 101 2.503 -15.914 0.452 1.00 0.65 H ATOM 27 H8 DG B 101 -0.424 -14.497 -1.685 1.00 0.66 H ATOM 28 H1 DG B 101 5.133 -15.341 -4.760 1.00 0.97 H ATOM 29 H21 DG B 101 6.688 -16.023 -3.334 1.00 1.21 H ATOM 30 H22 DG B 101 6.360 -16.264 -1.633 1.00 1.16 H ATOM 31 HO5' DG B 101 -2.518 -16.089 0.153 1.00 1.01 H ATOM 32 P DA B 102 1.550 -12.815 4.092 1.00 0.63 P ATOM 33 OP1 DA B 102 1.781 -13.074 5.531 1.00 0.76 O ATOM 34 OP2 DA B 102 0.520 -11.839 3.675 1.00 0.68 O ATOM 35 O5' DA B 102 2.951 -12.384 3.426 1.00 0.50 O ATOM 36 C5' DA B 102 4.187 -12.664 4.088 1.00 0.63 C ATOM 37 C4' DA B 102 5.281 -11.665 3.697 1.00 0.55 C ATOM 38 O4' DA B 102 5.624 -11.822 2.302 1.00 0.53 O ATOM 39 C3' DA B 102 4.849 -10.209 3.922 1.00 0.48 C ATOM 40 O3' DA B 102 5.830 -9.527 4.723 1.00 0.51 O ATOM 41 C2' DA B 102 4.742 -9.605 2.534 1.00 0.40 C ATOM 42 C1' DA B 102 5.384 -10.598 1.577 1.00 0.43 C ATOM 43 N9 DA B 102 4.513 -10.843 0.417 1.00 0.40 N ATOM 44 C8 DA B 102 3.225 -11.279 0.392 1.00 0.41 C ATOM 45 N7 DA B 102 2.706 -11.395 -0.798 1.00 0.41 N ATOM 46 C5 DA B 102 3.752 -10.998 -1.636 1.00 0.38 C ATOM 47 C6 DA B 102 3.873 -10.887 -3.031 1.00 0.37 C ATOM 48 N6 DA B 102 2.887 -11.176 -3.881 1.00 0.39 N ATOM 49 N1 DA B 102 5.053 -10.463 -3.516 1.00 0.37 N ATOM 50 C2 DA B 102 6.054 -10.165 -2.688 1.00 0.39 C ATOM 51 N3 DA B 102 6.045 -10.235 -1.363 1.00 0.39 N ATOM 52 C4 DA B 102 4.852 -10.662 -0.901 1.00 0.38 C ATOM 53 H5' DA B 102 4.513 -13.669 3.821 1.00 0.80 H ATOM 54 H5'' DA B 102 4.032 -12.616 5.165 1.00 0.82 H ATOM 55 H4' DA B 102 6.168 -11.863 4.299 1.00 0.59 H ATOM 56 H3' DA B 102 3.876 -10.166 4.422 1.00 0.50 H ATOM 57 H2' DA B 102 3.694 -9.461 2.264 1.00 0.39 H ATOM 58 H2'' DA B 102 5.262 -8.652 2.491 1.00 0.39 H ATOM 59 H1' DA B 102 6.337 -10.201 1.227 1.00 0.44 H ATOM 60 H8 DA B 102 2.672 -11.509 1.307 1.00 0.44 H ATOM 61 H61 DA B 102 3.033 -11.075 -4.877 1.00 0.40 H ATOM 62 H62 DA B 102 1.994 -11.495 -3.530 1.00 0.42 H ATOM 63 H2 DA B 102 6.982 -9.826 -3.149 1.00 0.42 H ATOM 64 P DG B 103 5.785 -7.930 4.953 1.00 0.51 P ATOM 65 OP1 DG B 103 6.783 -7.583 5.989 1.00 0.63 O ATOM 66 OP2 DG B 103 4.376 -7.518 5.120 1.00 0.53 O ATOM 67 O5' DG B 103 6.305 -7.361 3.540 1.00 0.45 O ATOM 68 C5' DG B 103 7.623 -7.658 3.069 1.00 0.47 C ATOM 69 C4' DG B 103 8.070 -6.648 2.006 1.00 0.46 C ATOM 70 O4' DG B 103 7.665 -7.089 0.686 1.00 0.44 O ATOM 71 C3' DG B 103 7.464 -5.257 2.249 1.00 0.44 C ATOM 72 O3' DG B 103 8.504 -4.276 2.366 1.00 0.50 O ATOM 73 C2' DG B 103 6.589 -4.988 1.040 1.00 0.41 C ATOM 74 C1' DG B 103 6.962 -6.031 0.000 1.00 0.39 C ATOM 75 N9 DG B 103 5.765 -6.541 -0.704 1.00 0.34 N ATOM 76 C8 DG B 103 4.614 -7.073 -0.193 1.00 0.33 C ATOM 77 N7 DG B 103 3.730 -7.430 -1.077 1.00 0.34 N ATOM 78 C5 DG B 103 4.341 -7.109 -2.288 1.00 0.33 C ATOM 79 C6 DG B 103 3.866 -7.265 -3.620 1.00 0.35 C ATOM 80 O6 DG B 103 2.790 -7.725 -3.998 1.00 0.39 O ATOM 81 N1 DG B 103 4.796 -6.814 -4.548 1.00 0.36 N ATOM 82 C2 DG B 103 6.030 -6.279 -4.237 1.00 0.38 C ATOM 83 N2 DG B 103 6.787 -5.899 -5.265 1.00 0.44 N ATOM 84 N3 DG B 103 6.478 -6.131 -2.988 1.00 0.38 N ATOM 85 C4 DG B 103 5.586 -6.565 -2.068 1.00 0.34 C ATOM 86 H5' DG B 103 7.628 -8.658 2.635 1.00 0.50 H ATOM 87 H5'' DG B 103 8.317 -7.631 3.911 1.00 0.53 H ATOM 88 H4' DG B 103 9.158 -6.567 2.029 1.00 0.51 H ATOM 89 H3' DG B 103 6.858 -5.250 3.161 1.00 0.43 H ATOM 90 H2' DG B 103 5.535 -5.092 1.304 1.00 0.39 H ATOM 91 H2'' DG B 103 6.774 -3.989 0.655 1.00 0.46 H ATOM 92 H1' DG B 103 7.636 -5.579 -0.732 1.00 0.44 H ATOM 93 H8 DG B 103 4.444 -7.183 0.876 1.00 0.34 H ATOM 94 H1 DG B 103 4.529 -6.892 -5.519 1.00 0.39 H ATOM 95 H21 DG B 103 6.449 -6.009 -6.210 1.00 0.45 H ATOM 96 H22 DG B 103 7.700 -5.500 -5.099 1.00 0.48 H ATOM 97 P DT B 104 8.161 -2.706 2.493 1.00 0.55 P ATOM 98 OP1 DT B 104 9.043 -2.119 3.527 1.00 0.68 O ATOM 99 OP2 DT B 104 6.693 -2.559 2.604 1.00 0.54 O ATOM 100 O5' DT B 104 8.618 -2.138 1.055 1.00 0.52 O ATOM 101 C5' DT B 104 9.626 -2.819 0.300 1.00 0.52 C ATOM 102 C4' DT B 104 9.771 -2.242 -1.116 1.00 0.48 C ATOM 103 O4' DT B 104 8.899 -2.938 -2.036 1.00 0.45 O ATOM 104 C3' DT B 104 9.435 -0.746 -1.177 1.00 0.49 C ATOM 105 O3' DT B 104 10.591 0.014 -1.546 1.00 0.52 O ATOM 106 C2' DT B 104 8.351 -0.614 -2.223 1.00 0.45 C ATOM 107 C1' DT B 104 8.128 -2.000 -2.816 1.00 0.43 C ATOM 108 N1 DT B 104 6.686 -2.373 -2.806 1.00 0.42 N ATOM 109 C2 DT B 104 6.075 -2.687 -4.013 1.00 0.44 C ATOM 110 O2 DT B 104 6.682 -2.651 -5.081 1.00 0.48 O ATOM 111 N3 DT B 104 4.741 -3.043 -3.946 1.00 0.45 N ATOM 112 C4 DT B 104 3.972 -3.111 -2.798 1.00 0.44 C ATOM 113 O4 DT B 104 2.790 -3.444 -2.855 1.00 0.47 O ATOM 114 C5 DT B 104 4.688 -2.766 -1.591 1.00 0.43 C ATOM 115 C7 DT B 104 3.949 -2.787 -0.253 1.00 0.47 C ATOM 116 C6 DT B 104 5.993 -2.417 -1.632 1.00 0.43 C ATOM 117 H5' DT B 104 9.360 -3.873 0.226 1.00 0.52 H ATOM 118 H5'' DT B 104 10.579 -2.730 0.825 1.00 0.58 H ATOM 119 H4' DT B 104 10.802 -2.379 -1.447 1.00 0.50 H ATOM 120 H3' DT B 104 9.062 -0.388 -0.213 1.00 0.51 H ATOM 121 H2' DT B 104 7.430 -0.254 -1.765 1.00 0.45 H ATOM 122 H2'' DT B 104 8.677 0.080 -2.999 1.00 0.45 H ATOM 123 H1' DT B 104 8.501 -2.006 -3.838 1.00 0.44 H ATOM 124 H3 DT B 104 4.285 -3.276 -4.816 1.00 0.49 H ATOM 125 H71 DT B 104 3.471 -1.821 -0.088 1.00 1.11 H ATOM 126 H72 DT B 104 4.654 -2.986 0.555 1.00 1.04 H ATOM 127 H73 DT B 104 3.189 -3.569 -0.272 1.00 1.12 H ATOM 128 H6 DT B 104 6.508 -2.159 -0.712 1.00 0.45 H ATOM 129 P DA B 105 10.497 1.608 -1.763 1.00 0.56 P ATOM 130 OP1 DA B 105 11.871 2.134 -1.931 1.00 0.63 O ATOM 131 OP2 DA B 105 9.616 2.168 -0.713 1.00 0.60 O ATOM 132 O5' DA B 105 9.734 1.729 -3.178 1.00 0.51 O ATOM 133 C5' DA B 105 10.433 1.489 -4.404 1.00 0.49 C ATOM 134 C4' DA B 105 9.573 1.838 -5.624 1.00 0.45 C ATOM 135 O4' DA B 105 8.435 0.950 -5.709 1.00 0.43 O ATOM 136 C3' DA B 105 9.051 3.282 -5.573 1.00 0.47 C ATOM 137 O3' DA B 105 9.515 4.020 -6.712 1.00 0.51 O ATOM 138 C2' DA B 105 7.539 3.166 -5.584 1.00 0.46 C ATOM 139 C1' DA B 105 7.215 1.706 -5.857 1.00 0.42 C ATOM 140 N9 DA B 105 6.174 1.219 -4.932 1.00 0.40 N ATOM 141 C8 DA B 105 6.167 1.219 -3.568 1.00 0.43 C ATOM 142 N7 DA B 105 5.098 0.719 -3.023 1.00 0.44 N ATOM 143 C5 DA B 105 4.325 0.353 -4.124 1.00 0.39 C ATOM 144 C6 DA B 105 3.062 -0.239 -4.242 1.00 0.39 C ATOM 145 N6 DA B 105 2.323 -0.593 -3.191 1.00 0.43 N ATOM 146 N1 DA B 105 2.595 -0.459 -5.484 1.00 0.38 N ATOM 147 C2 DA B 105 3.325 -0.119 -6.547 1.00 0.40 C ATOM 148 N3 DA B 105 4.529 0.445 -6.545 1.00 0.40 N ATOM 149 C4 DA B 105 4.972 0.654 -5.289 1.00 0.38 C ATOM 150 H5' DA B 105 10.711 0.436 -4.455 1.00 0.56 H ATOM 151 H5'' DA B 105 11.338 2.096 -4.422 1.00 0.53 H ATOM 152 H4' DA B 105 10.178 1.718 -6.522 1.00 0.47 H ATOM 153 H3' DA B 105 9.381 3.782 -4.657 1.00 0.50 H ATOM 154 H2' DA B 105 7.129 3.457 -4.617 1.00 0.48 H ATOM 155 H2'' DA B 105 7.120 3.798 -6.364 1.00 0.51 H ATOM 156 H1' DA B 105 6.857 1.600 -6.882 1.00 0.45 H ATOM 157 H8 DA B 105 6.993 1.616 -2.979 1.00 0.48 H ATOM 158 H61 DA B 105 1.418 -1.018 -3.331 1.00 0.44 H ATOM 159 H62 DA B 105 2.668 -0.437 -2.255 1.00 0.48 H ATOM 160 H2 DA B 105 2.887 -0.324 -7.523 1.00 0.45 H ATOM 161 P DG B 106 9.035 5.538 -6.976 1.00 0.58 P ATOM 162 OP1 DG B 106 9.928 6.134 -7.995 1.00 0.66 O ATOM 163 OP2 DG B 106 8.862 6.205 -5.667 1.00 0.64 O ATOM 164 O5' DG B 106 7.577 5.337 -7.637 1.00 0.52 O ATOM 165 C5' DG B 106 7.426 4.591 -8.848 1.00 0.49 C ATOM 166 C4' DG B 106 5.992 4.664 -9.394 1.00 0.47 C ATOM 167 O4' DG B 106 5.162 3.657 -8.768 1.00 0.44 O ATOM 168 C3' DG B 106 5.341 6.033 -9.143 1.00 0.49 C ATOM 169 O3' DG B 106 5.115 6.726 -10.374 1.00 0.54 O ATOM 170 C2' DG B 106 4.019 5.737 -8.464 1.00 0.47 C ATOM 171 C1' DG B 106 3.890 4.222 -8.389 1.00 0.44 C ATOM 172 N9 DG B 106 3.494 3.804 -7.029 1.00 0.42 N ATOM 173 C8 DG B 106 4.106 4.060 -5.837 1.00 0.44 C ATOM 174 N7 DG B 106 3.500 3.585 -4.790 1.00 0.45 N ATOM 175 C5 DG B 106 2.381 2.954 -5.329 1.00 0.43 C ATOM 176 C6 DG B 106 1.331 2.250 -4.679 1.00 0.44 C ATOM 177 O6 DG B 106 1.182 2.042 -3.477 1.00 0.47 O ATOM 178 N1 DG B 106 0.399 1.771 -5.591 1.00 0.43 N ATOM 179 C2 DG B 106 0.466 1.945 -6.958 1.00 0.43 C ATOM 180 N2 DG B 106 -0.525 1.410 -7.671 1.00 0.46 N ATOM 181 N3 DG B 106 1.451 2.607 -7.572 1.00 0.42 N ATOM 182 C4 DG B 106 2.370 3.082 -6.700 1.00 0.41 C ATOM 183 H5' DG B 106 7.679 3.548 -8.655 1.00 0.51 H ATOM 184 H5'' DG B 106 8.113 4.989 -9.596 1.00 0.51 H ATOM 185 H4' DG B 106 6.015 4.479 -10.468 1.00 0.49 H ATOM 186 H3' DG B 106 5.969 6.647 -8.489 1.00 0.51 H ATOM 187 H2' DG B 106 4.004 6.160 -7.457 1.00 0.48 H ATOM 188 H2'' DG B 106 3.201 6.156 -9.051 1.00 0.49 H ATOM 189 H1' DG B 106 3.130 3.885 -9.099 1.00 0.45 H ATOM 190 H8 DG B 106 5.029 4.632 -5.768 1.00 0.47 H ATOM 191 H1 DG B 106 -0.382 1.262 -5.202 1.00 0.46 H ATOM 192 H21 DG B 106 -1.269 0.910 -7.206 1.00 0.48 H ATOM 193 H22 DG B 106 -0.531 1.504 -8.677 1.00 0.48 H ATOM 194 P DT B 107 4.374 8.157 -10.381 1.00 0.60 P ATOM 195 OP1 DT B 107 4.626 8.802 -11.689 1.00 0.68 O ATOM 196 OP2 DT B 107 4.725 8.866 -9.130 1.00 0.61 O ATOM 197 O5' DT B 107 2.816 7.749 -10.310 1.00 0.59 O ATOM 198 C5' DT B 107 2.149 7.242 -11.469 1.00 0.62 C ATOM 199 C4' DT B 107 0.852 6.497 -11.108 1.00 0.58 C ATOM 200 O4' DT B 107 0.979 5.821 -9.839 1.00 0.52 O ATOM 201 C3' DT B 107 -0.364 7.429 -11.015 1.00 0.60 C ATOM 202 O3' DT B 107 -1.205 7.286 -12.164 1.00 0.65 O ATOM 203 C2' DT B 107 -1.097 7.008 -9.755 1.00 0.53 C ATOM 204 C1' DT B 107 -0.271 5.894 -9.120 1.00 0.49 C ATOM 205 N1 DT B 107 -0.043 6.164 -7.678 1.00 0.46 N ATOM 206 C2 DT B 107 -0.873 5.542 -6.756 1.00 0.42 C ATOM 207 O2 DT B 107 -1.779 4.786 -7.099 1.00 0.43 O ATOM 208 N3 DT B 107 -0.623 5.822 -5.427 1.00 0.41 N ATOM 209 C4 DT B 107 0.368 6.656 -4.942 1.00 0.43 C ATOM 210 O4 DT B 107 0.501 6.832 -3.732 1.00 0.44 O ATOM 211 C5 DT B 107 1.182 7.260 -5.974 1.00 0.47 C ATOM 212 C7 DT B 107 2.317 8.202 -5.580 1.00 0.51 C ATOM 213 C6 DT B 107 0.957 7.003 -7.279 1.00 0.47 C ATOM 214 H5' DT B 107 2.822 6.555 -11.986 1.00 0.63 H ATOM 215 H5'' DT B 107 1.916 8.073 -12.137 1.00 0.69 H ATOM 216 H4' DT B 107 0.653 5.750 -11.879 1.00 0.60 H ATOM 217 H3' DT B 107 -0.042 8.471 -10.927 1.00 0.63 H ATOM 218 H2' DT B 107 -1.178 7.848 -9.062 1.00 0.53 H ATOM 219 H2'' DT B 107 -2.094 6.644 -10.011 1.00 0.53 H ATOM 220 H1' DT B 107 -0.790 4.943 -9.237 1.00 0.48 H ATOM 221 H3 DT B 107 -1.218 5.375 -4.746 1.00 0.39 H ATOM 222 H71 DT B 107 3.261 7.656 -5.589 1.00 1.09 H ATOM 223 H72 DT B 107 2.134 8.595 -4.580 1.00 1.13 H ATOM 224 H73 DT B 107 2.368 9.026 -6.291 1.00 1.10 H ATOM 225 H6 DT B 107 1.579 7.477 -8.034 1.00 0.51 H ATOM 226 P DA B 108 -2.527 8.192 -12.330 1.00 0.78 P ATOM 227 OP1 DA B 108 -2.903 8.203 -13.762 1.00 0.91 O ATOM 228 OP2 DA B 108 -2.305 9.469 -11.616 1.00 0.83 O ATOM 229 O5' DA B 108 -3.638 7.348 -11.523 1.00 0.84 O ATOM 230 C5' DA B 108 -4.756 6.766 -12.204 1.00 0.77 C ATOM 231 C4' DA B 108 -6.038 6.872 -11.370 1.00 0.67 C ATOM 232 O4' DA B 108 -5.773 6.487 -10.001 1.00 0.61 O ATOM 233 C3' DA B 108 -6.613 8.297 -11.366 1.00 0.65 C ATOM 234 O3' DA B 108 -7.943 8.308 -11.900 1.00 0.65 O ATOM 235 C2' DA B 108 -6.615 8.732 -9.915 1.00 0.58 C ATOM 236 C1' DA B 108 -6.091 7.562 -9.094 1.00 0.55 C ATOM 237 N9 DA B 108 -4.901 7.957 -8.315 1.00 0.53 N ATOM 238 C8 DA B 108 -3.742 8.540 -8.742 1.00 0.56 C ATOM 239 N7 DA B 108 -2.866 8.772 -7.809 1.00 0.55 N ATOM 240 C5 DA B 108 -3.499 8.302 -6.659 1.00 0.50 C ATOM 241 C6 DA B 108 -3.112 8.250 -5.314 1.00 0.48 C ATOM 242 N6 DA B 108 -1.935 8.699 -4.875 1.00 0.49 N ATOM 243 N1 DA B 108 -3.983 7.720 -4.439 1.00 0.45 N ATOM 244 C2 DA B 108 -5.165 7.267 -4.858 1.00 0.45 C ATOM 245 N3 DA B 108 -5.628 7.268 -6.103 1.00 0.47 N ATOM 246 C4 DA B 108 -4.736 7.805 -6.959 1.00 0.50 C ATOM 247 H5' DA B 108 -4.545 5.715 -12.397 1.00 0.85 H ATOM 248 H5'' DA B 108 -4.906 7.279 -13.155 1.00 0.77 H ATOM 249 H4' DA B 108 -6.784 6.195 -11.786 1.00 0.70 H ATOM 250 H3' DA B 108 -5.984 8.971 -11.956 1.00 0.70 H ATOM 251 H2' DA B 108 -5.967 9.600 -9.777 1.00 0.59 H ATOM 252 H2'' DA B 108 -7.632 8.977 -9.607 1.00 0.56 H ATOM 253 H1' DA B 108 -6.869 7.229 -8.404 1.00 0.52 H ATOM 254 H8 DA B 108 -3.564 8.791 -9.788 1.00 0.60 H ATOM 255 H61 DA B 108 -1.706 8.638 -3.893 1.00 0.48 H ATOM 256 H62 DA B 108 -1.273 9.100 -5.525 1.00 0.53 H ATOM 257 H2 DA B 108 -5.823 6.850 -4.096 1.00 0.45 H ATOM 258 P DA B 109 -8.839 9.649 -11.856 1.00 0.65 P ATOM 259 OP1 DA B 109 -10.058 9.418 -12.663 1.00 0.69 O ATOM 260 OP2 DA B 109 -7.962 10.803 -12.157 1.00 0.70 O ATOM 261 O5' DA B 109 -9.270 9.732 -10.303 1.00 0.59 O ATOM 262 C5' DA B 109 -10.289 8.868 -9.790 1.00 0.57 C ATOM 263 C4' DA B 109 -10.511 9.058 -8.283 1.00 0.54 C ATOM 264 O4' DA B 109 -9.290 8.835 -7.542 1.00 0.56 O ATOM 265 C3' DA B 109 -11.017 10.463 -7.937 1.00 0.49 C ATOM 266 O3' DA B 109 -12.410 10.435 -7.607 1.00 0.50 O ATOM 267 C2' DA B 109 -10.189 10.906 -6.745 1.00 0.49 C ATOM 268 C1' DA B 109 -9.190 9.788 -6.463 1.00 0.52 C ATOM 269 N9 DA B 109 -7.820 10.325 -6.351 1.00 0.52 N ATOM 270 C8 DA B 109 -7.007 10.823 -7.326 1.00 0.54 C ATOM 271 N7 DA B 109 -5.844 11.235 -6.919 1.00 0.56 N ATOM 272 C5 DA B 109 -5.887 10.990 -5.548 1.00 0.55 C ATOM 273 C6 DA B 109 -4.964 11.201 -4.519 1.00 0.57 C ATOM 274 N6 DA B 109 -3.758 11.733 -4.719 1.00 0.62 N ATOM 275 N1 DA B 109 -5.330 10.844 -3.276 1.00 0.57 N ATOM 276 C2 DA B 109 -6.533 10.311 -3.056 1.00 0.54 C ATOM 277 N3 DA B 109 -7.479 10.069 -3.958 1.00 0.52 N ATOM 278 C4 DA B 109 -7.085 10.437 -5.194 1.00 0.52 C ATOM 279 H5' DA B 109 -10.001 7.833 -9.977 1.00 0.63 H ATOM 280 H5'' DA B 109 -11.223 9.074 -10.313 1.00 0.63 H ATOM 281 H4' DA B 109 -11.253 8.332 -7.951 1.00 0.56 H ATOM 282 H3' DA B 109 -10.857 11.146 -8.777 1.00 0.48 H ATOM 283 H2' DA B 109 -9.654 11.830 -6.975 1.00 0.49 H ATOM 284 H2'' DA B 109 -10.838 11.063 -5.880 1.00 0.51 H ATOM 285 H1' DA B 109 -9.453 9.290 -5.527 1.00 0.55 H ATOM 286 H8 DA B 109 -7.312 10.874 -8.368 1.00 0.56 H ATOM 287 H61 DA B 109 -3.128 11.864 -3.941 1.00 0.64 H ATOM 288 H62 DA B 109 -3.475 12.005 -5.650 1.00 0.63 H ATOM 289 H2 DA B 109 -6.765 10.045 -2.025 1.00 0.55 H ATOM 290 P DA B 110 -13.149 11.755 -7.055 1.00 0.51 P ATOM 291 OP1 DA B 110 -14.608 11.506 -7.059 1.00 0.57 O ATOM 292 OP2 DA B 110 -12.599 12.928 -7.771 1.00 0.50 O ATOM 293 O5' DA B 110 -12.654 11.822 -5.523 1.00 0.52 O ATOM 294 C5' DA B 110 -13.204 10.937 -4.543 1.00 0.59 C ATOM 295 C4' DA B 110 -12.754 11.310 -3.127 1.00 0.57 C ATOM 296 O4' DA B 110 -11.313 11.415 -3.069 1.00 0.55 O ATOM 297 C3' DA B 110 -13.354 12.645 -2.660 1.00 0.53 C ATOM 298 O3' DA B 110 -14.158 12.451 -1.487 1.00 0.60 O ATOM 299 C2' DA B 110 -12.167 13.540 -2.366 1.00 0.48 C ATOM 300 C1' DA B 110 -10.917 12.684 -2.510 1.00 0.48 C ATOM 301 N9 DA B 110 -9.922 13.354 -3.370 1.00 0.43 N ATOM 302 C8 DA B 110 -10.053 13.806 -4.651 1.00 0.43 C ATOM 303 N7 DA B 110 -8.993 14.377 -5.144 1.00 0.42 N ATOM 304 C5 DA B 110 -8.076 14.296 -4.096 1.00 0.43 C ATOM 305 C6 DA B 110 -6.748 14.719 -3.960 1.00 0.46 C ATOM 306 N6 DA B 110 -6.077 15.343 -4.928 1.00 0.51 N ATOM 307 N1 DA B 110 -6.140 14.478 -2.785 1.00 0.48 N ATOM 308 C2 DA B 110 -6.795 13.859 -1.803 1.00 0.46 C ATOM 309 N3 DA B 110 -8.048 13.420 -1.828 1.00 0.44 N ATOM 310 C4 DA B 110 -8.634 13.674 -3.015 1.00 0.42 C ATOM 311 H5' DA B 110 -12.880 9.919 -4.762 1.00 0.71 H ATOM 312 H5'' DA B 110 -14.292 10.982 -4.594 1.00 0.60 H ATOM 313 H4' DA B 110 -13.075 10.525 -2.441 1.00 0.63 H ATOM 314 H3' DA B 110 -13.969 13.090 -3.449 1.00 0.52 H ATOM 315 H2' DA B 110 -12.130 14.368 -3.077 1.00 0.47 H ATOM 316 H2'' DA B 110 -12.236 13.930 -1.354 1.00 0.53 H ATOM 317 H1' DA B 110 -10.477 12.516 -1.523 1.00 0.52 H ATOM 318 H8 DA B 110 -10.978 13.698 -5.218 1.00 0.44 H ATOM 319 H61 DA B 110 -5.119 15.627 -4.777 1.00 0.55 H ATOM 320 H62 DA B 110 -6.526 15.531 -5.813 1.00 0.51 H ATOM 321 H2 DA B 110 -6.243 13.696 -0.877 1.00 0.48 H ATOM 322 P DT B 111 -14.754 13.705 -0.664 1.00 0.62 P ATOM 323 OP1 DT B 111 -15.916 13.234 0.123 1.00 0.73 O ATOM 324 OP2 DT B 111 -14.907 14.843 -1.597 1.00 0.61 O ATOM 325 O5' DT B 111 -13.555 14.048 0.360 1.00 0.58 O ATOM 326 C5' DT B 111 -12.882 12.995 1.059 1.00 0.61 C ATOM 327 C4' DT B 111 -11.789 13.523 1.998 1.00 0.54 C ATOM 328 O4' DT B 111 -10.566 13.767 1.264 1.00 0.48 O ATOM 329 C3' DT B 111 -12.190 14.831 2.695 1.00 0.56 C ATOM 330 O3' DT B 111 -12.341 14.626 4.103 1.00 0.61 O ATOM 331 C2' DT B 111 -11.054 15.800 2.425 1.00 0.50 C ATOM 332 C1' DT B 111 -9.980 15.021 1.670 1.00 0.44 C ATOM 333 N1 DT B 111 -9.489 15.791 0.491 1.00 0.43 N ATOM 334 C2 DT B 111 -8.147 16.148 0.452 1.00 0.42 C ATOM 335 O2 DT B 111 -7.364 15.838 1.348 1.00 0.41 O ATOM 336 N3 DT B 111 -7.739 16.871 -0.653 1.00 0.45 N ATOM 337 C4 DT B 111 -8.538 17.263 -1.712 1.00 0.50 C ATOM 338 O4 DT B 111 -8.066 17.901 -2.650 1.00 0.55 O ATOM 339 C5 DT B 111 -9.918 16.852 -1.592 1.00 0.50 C ATOM 340 C7 DT B 111 -10.908 17.242 -2.692 1.00 0.58 C ATOM 341 C6 DT B 111 -10.343 16.144 -0.520 1.00 0.48 C ATOM 342 H5' DT B 111 -12.428 12.322 0.332 1.00 0.66 H ATOM 343 H5'' DT B 111 -13.615 12.439 1.645 1.00 0.68 H ATOM 344 H4' DT B 111 -11.591 12.769 2.761 1.00 0.57 H ATOM 345 H3' DT B 111 -13.124 15.222 2.280 1.00 0.61 H ATOM 346 H2' DT B 111 -11.404 16.636 1.818 1.00 0.53 H ATOM 347 H2'' DT B 111 -10.655 16.175 3.370 1.00 0.51 H ATOM 348 H1' DT B 111 -9.147 14.807 2.350 1.00 0.44 H ATOM 349 H3 DT B 111 -6.768 17.143 -0.688 1.00 0.47 H ATOM 350 H71 DT B 111 -10.447 17.082 -3.667 1.00 1.17 H ATOM 351 H72 DT B 111 -11.170 18.295 -2.586 1.00 1.17 H ATOM 352 H73 DT B 111 -11.812 16.636 -2.616 1.00 1.19 H ATOM 353 H6 DT B 111 -11.387 15.851 -0.456 1.00 0.51 H ATOM 354 P DT B 112 -12.698 15.859 5.077 1.00 0.67 P ATOM 355 OP1 DT B 112 -13.316 15.313 6.307 1.00 0.75 O ATOM 356 OP2 DT B 112 -13.413 16.884 4.284 1.00 0.72 O ATOM 357 O5' DT B 112 -11.245 16.439 5.457 1.00 0.59 O ATOM 358 C5' DT B 112 -10.320 15.648 6.209 1.00 0.61 C ATOM 359 C4' DT B 112 -9.062 16.442 6.575 1.00 0.55 C ATOM 360 O4' DT B 112 -8.368 16.861 5.378 1.00 0.52 O ATOM 361 C3' DT B 112 -9.388 17.693 7.403 1.00 0.60 C ATOM 362 O3' DT B 112 -8.842 17.586 8.720 1.00 0.66 O ATOM 363 C2' DT B 112 -8.759 18.853 6.658 1.00 0.59 C ATOM 364 C1' DT B 112 -8.067 18.272 5.428 1.00 0.54 C ATOM 365 N1 DT B 112 -8.540 18.950 4.193 1.00 0.59 N ATOM 366 C2 DT B 112 -7.624 19.673 3.440 1.00 0.66 C ATOM 367 O2 DT B 112 -6.442 19.766 3.763 1.00 0.68 O ATOM 368 N3 DT B 112 -8.119 20.283 2.303 1.00 0.74 N ATOM 369 C4 DT B 112 -9.427 20.239 1.857 1.00 0.78 C ATOM 370 O4 DT B 112 -9.757 20.822 0.826 1.00 0.88 O ATOM 371 C5 DT B 112 -10.311 19.465 2.702 1.00 0.72 C ATOM 372 C7 DT B 112 -11.790 19.346 2.322 1.00 0.82 C ATOM 373 C6 DT B 112 -9.848 18.858 3.820 1.00 0.63 C ATOM 374 H5' DT B 112 -10.033 14.779 5.617 1.00 0.64 H ATOM 375 H5'' DT B 112 -10.806 15.309 7.125 1.00 0.72 H ATOM 376 H4' DT B 112 -8.399 15.799 7.157 1.00 0.55 H ATOM 377 H3' DT B 112 -10.471 17.839 7.473 1.00 0.66 H ATOM 378 H2' DT B 112 -9.525 19.568 6.349 1.00 0.63 H ATOM 379 H2'' DT B 112 -8.031 19.351 7.303 1.00 0.63 H ATOM 380 H1' DT B 112 -6.989 18.392 5.529 1.00 0.56 H ATOM 381 H3 DT B 112 -7.464 20.812 1.746 1.00 0.81 H ATOM 382 H71 DT B 112 -11.872 19.139 1.255 1.00 1.38 H ATOM 383 H72 DT B 112 -12.298 20.282 2.549 1.00 1.31 H ATOM 384 H73 DT B 112 -12.257 18.535 2.884 1.00 1.28 H ATOM 385 H6 DT B 112 -10.530 18.281 4.440 1.00 0.63 H ATOM 386 P DC B 113 -9.381 18.533 9.905 1.00 0.76 P ATOM 387 OP1 DC B 113 -9.348 17.760 11.167 1.00 0.96 O ATOM 388 OP2 DC B 113 -10.644 19.161 9.458 1.00 0.79 O ATOM 389 O5' DC B 113 -8.250 19.676 9.984 1.00 0.81 O ATOM 390 C5' DC B 113 -6.950 19.375 10.499 1.00 0.91 C ATOM 391 C4' DC B 113 -5.952 20.500 10.205 1.00 1.00 C ATOM 392 O4' DC B 113 -5.986 20.851 8.805 1.00 0.92 O ATOM 393 C3' DC B 113 -6.244 21.764 11.024 1.00 1.14 C ATOM 394 O3' DC B 113 -5.219 21.986 11.995 1.00 1.38 O ATOM 395 C2' DC B 113 -6.290 22.899 10.021 1.00 1.16 C ATOM 396 C1' DC B 113 -6.102 22.280 8.638 1.00 0.99 C ATOM 397 N1 DC B 113 -7.253 22.605 7.762 1.00 0.89 N ATOM 398 C2 DC B 113 -7.096 23.595 6.797 1.00 0.92 C ATOM 399 O2 DC B 113 -6.018 24.175 6.681 1.00 1.01 O ATOM 400 N3 DC B 113 -8.157 23.894 5.999 1.00 0.94 N ATOM 401 C4 DC B 113 -9.324 23.252 6.138 1.00 0.96 C ATOM 402 N4 DC B 113 -10.343 23.568 5.340 1.00 1.11 N ATOM 403 C5 DC B 113 -9.489 22.233 7.129 1.00 0.91 C ATOM 404 C6 DC B 113 -8.432 21.947 7.914 1.00 0.85 C ATOM 405 H5' DC B 113 -6.592 18.454 10.040 1.00 0.98 H ATOM 406 H5'' DC B 113 -7.019 19.233 11.577 1.00 1.03 H ATOM 407 H4' DC B 113 -4.951 20.149 10.452 1.00 1.14 H ATOM 408 H3' DC B 113 -7.210 21.679 11.533 1.00 1.14 H ATOM 409 HO3' DC B 113 -5.460 21.494 12.783 1.00 1.63 H ATOM 410 H2' DC B 113 -7.254 23.411 10.069 1.00 1.18 H ATOM 411 H2'' DC B 113 -5.487 23.608 10.233 1.00 1.35 H ATOM 412 H1' DC B 113 -5.180 22.653 8.192 1.00 1.11 H ATOM 413 H41 DC B 113 -10.232 24.286 4.639 1.00 1.16 H ATOM 414 H42 DC B 113 -11.228 23.090 5.438 1.00 1.19 H ATOM 415 H5 DC B 113 -10.437 21.709 7.246 1.00 0.98 H ATOM 416 H6 DC B 113 -8.519 21.180 8.680 1.00 0.85 H TER 417 DC B 113 ATOM 418 O5' DG C 114 -8.012 30.061 -2.218 1.00 2.07 O ATOM 419 C5' DG C 114 -6.913 30.974 -2.157 1.00 2.03 C ATOM 420 C4' DG C 114 -5.668 30.316 -1.555 1.00 1.74 C ATOM 421 O4' DG C 114 -5.919 29.928 -0.186 1.00 1.68 O ATOM 422 C3' DG C 114 -5.236 29.069 -2.338 1.00 1.52 C ATOM 423 O3' DG C 114 -3.933 29.251 -2.898 1.00 1.50 O ATOM 424 C2' DG C 114 -5.235 27.933 -1.336 1.00 1.32 C ATOM 425 C1' DG C 114 -5.667 28.520 0.004 1.00 1.41 C ATOM 426 N9 DG C 114 -6.880 27.842 0.504 1.00 1.37 N ATOM 427 C8 DG C 114 -8.140 27.836 -0.023 1.00 1.49 C ATOM 428 N7 DG C 114 -9.014 27.142 0.643 1.00 1.49 N ATOM 429 C5 DG C 114 -8.274 26.639 1.711 1.00 1.32 C ATOM 430 C6 DG C 114 -8.681 25.804 2.787 1.00 1.26 C ATOM 431 O6 DG C 114 -9.796 25.338 3.011 1.00 1.34 O ATOM 432 N1 DG C 114 -7.626 25.530 3.647 1.00 1.14 N ATOM 433 C2 DG C 114 -6.337 25.999 3.494 1.00 1.14 C ATOM 434 N2 DG C 114 -5.459 25.626 4.426 1.00 1.15 N ATOM 435 N3 DG C 114 -5.950 26.784 2.484 1.00 1.21 N ATOM 436 C4 DG C 114 -6.966 27.062 1.634 1.00 1.27 C ATOM 437 H5' DG C 114 -7.196 31.829 -1.543 1.00 2.19 H ATOM 438 H5'' DG C 114 -6.681 31.320 -3.164 1.00 2.15 H ATOM 439 H4' DG C 114 -4.851 31.038 -1.569 1.00 1.82 H ATOM 440 H3' DG C 114 -5.946 28.854 -3.144 1.00 1.63 H ATOM 441 H2' DG C 114 -5.936 27.154 -1.642 1.00 1.31 H ATOM 442 H2'' DG C 114 -4.230 27.512 -1.260 1.00 1.26 H ATOM 443 H1' DG C 114 -4.865 28.399 0.735 1.00 1.40 H ATOM 444 H8 DG C 114 -8.394 28.373 -0.937 1.00 1.61 H ATOM 445 H1 DG C 114 -7.840 24.940 4.438 1.00 1.11 H ATOM 446 H21 DG C 114 -5.753 25.033 5.188 1.00 1.12 H ATOM 447 H22 DG C 114 -4.500 25.937 4.369 1.00 1.22 H ATOM 448 HO5' DG C 114 -8.537 30.298 -2.986 1.00 2.45 H ATOM 449 P DA C 115 -3.305 28.145 -3.884 1.00 1.41 P ATOM 450 OP1 DA C 115 -2.296 28.808 -4.741 1.00 1.52 O ATOM 451 OP2 DA C 115 -4.418 27.391 -4.503 1.00 1.51 O ATOM 452 O5' DA C 115 -2.536 27.163 -2.867 1.00 1.30 O ATOM 453 C5' DA C 115 -1.579 27.683 -1.939 1.00 1.33 C ATOM 454 C4' DA C 115 -0.987 26.574 -1.063 1.00 1.22 C ATOM 455 O4' DA C 115 -2.020 25.981 -0.241 1.00 1.15 O ATOM 456 C3' DA C 115 -0.340 25.462 -1.899 1.00 1.17 C ATOM 457 O3' DA C 115 1.042 25.310 -1.549 1.00 1.22 O ATOM 458 C2' DA C 115 -1.119 24.204 -1.577 1.00 1.14 C ATOM 459 C1' DA C 115 -2.128 24.565 -0.496 1.00 1.07 C ATOM 460 N9 DA C 115 -3.501 24.213 -0.909 1.00 1.02 N ATOM 461 C8 DA C 115 -4.191 24.584 -2.028 1.00 1.08 C ATOM 462 N7 DA C 115 -5.403 24.118 -2.108 1.00 1.05 N ATOM 463 C5 DA C 115 -5.531 23.370 -0.937 1.00 0.95 C ATOM 464 C6 DA C 115 -6.580 22.610 -0.403 1.00 0.90 C ATOM 465 N6 DA C 115 -7.761 22.471 -1.005 1.00 0.95 N ATOM 466 N1 DA C 115 -6.365 22.002 0.776 1.00 0.82 N ATOM 467 C2 DA C 115 -5.191 22.131 1.395 1.00 0.81 C ATOM 468 N3 DA C 115 -4.137 22.824 0.979 1.00 0.88 N ATOM 469 C4 DA C 115 -4.379 23.423 -0.204 1.00 0.94 C ATOM 470 H5' DA C 115 -2.067 28.419 -1.300 1.00 1.39 H ATOM 471 H5'' DA C 115 -0.775 28.168 -2.491 1.00 1.43 H ATOM 472 H4' DA C 115 -0.229 27.010 -0.413 1.00 1.27 H ATOM 473 H3' DA C 115 -0.417 25.685 -2.969 1.00 1.18 H ATOM 474 H2' DA C 115 -1.642 23.839 -2.464 1.00 1.17 H ATOM 475 H2'' DA C 115 -0.440 23.440 -1.208 1.00 1.20 H ATOM 476 H1' DA C 115 -1.885 24.018 0.418 1.00 1.06 H ATOM 477 H8 DA C 115 -3.758 25.224 -2.797 1.00 1.16 H ATOM 478 H61 DA C 115 -8.484 21.910 -0.575 1.00 0.93 H ATOM 479 H62 DA C 115 -7.934 22.925 -1.890 1.00 1.03 H ATOM 480 H2 DA C 115 -5.085 21.611 2.347 1.00 0.77 H ATOM 481 P DA C 116 1.928 24.112 -2.168 1.00 1.24 P ATOM 482 OP1 DA C 116 3.356 24.426 -1.939 1.00 1.44 O ATOM 483 OP2 DA C 116 1.443 23.838 -3.539 1.00 1.30 O ATOM 484 O5' DA C 116 1.528 22.861 -1.230 1.00 1.04 O ATOM 485 C5' DA C 116 1.729 22.922 0.186 1.00 1.07 C ATOM 486 C4' DA C 116 1.071 21.741 0.912 1.00 0.83 C ATOM 487 O4' DA C 116 -0.365 21.742 0.715 1.00 0.77 O ATOM 488 C3' DA C 116 1.612 20.385 0.432 1.00 0.75 C ATOM 489 O3' DA C 116 2.279 19.710 1.511 1.00 0.74 O ATOM 490 C2' DA C 116 0.391 19.613 -0.034 1.00 0.62 C ATOM 491 C1' DA C 116 -0.820 20.403 0.430 1.00 0.62 C ATOM 492 N9 DA C 116 -1.891 20.394 -0.587 1.00 0.64 N ATOM 493 C8 DA C 116 -1.910 20.959 -1.825 1.00 0.71 C ATOM 494 N7 DA C 116 -3.004 20.773 -2.502 1.00 0.74 N ATOM 495 C5 DA C 116 -3.786 20.016 -1.633 1.00 0.67 C ATOM 496 C6 DA C 116 -5.074 19.478 -1.740 1.00 0.67 C ATOM 497 N6 DA C 116 -5.839 19.629 -2.821 1.00 0.75 N ATOM 498 N1 DA C 116 -5.543 18.781 -0.690 1.00 0.61 N ATOM 499 C2 DA C 116 -4.791 18.620 0.399 1.00 0.56 C ATOM 500 N3 DA C 116 -3.562 19.085 0.602 1.00 0.56 N ATOM 501 C4 DA C 116 -3.118 19.780 -0.466 1.00 0.61 C ATOM 502 H5' DA C 116 1.302 23.851 0.564 1.00 1.17 H ATOM 503 H5'' DA C 116 2.799 22.914 0.393 1.00 1.25 H ATOM 504 H4' DA C 116 1.274 21.836 1.978 1.00 0.82 H ATOM 505 H3' DA C 116 2.311 20.517 -0.401 1.00 0.89 H ATOM 506 H2' DA C 116 0.383 19.532 -1.122 1.00 0.71 H ATOM 507 H2'' DA C 116 0.381 18.623 0.408 1.00 0.57 H ATOM 508 H1' DA C 116 -1.206 19.959 1.347 1.00 0.57 H ATOM 509 H8 DA C 116 -1.071 21.522 -2.217 1.00 0.75 H ATOM 510 H61 DA C 116 -6.763 19.221 -2.846 1.00 0.75 H ATOM 511 H62 DA C 116 -5.496 20.151 -3.614 1.00 0.81 H ATOM 512 H2 DA C 116 -5.232 18.044 1.213 1.00 0.53 H ATOM 513 P DT C 117 2.761 18.176 1.379 1.00 1.08 P ATOM 514 OP1 DT C 117 3.756 17.909 2.442 1.00 1.74 O ATOM 515 OP2 DT C 117 3.106 17.917 -0.037 1.00 1.77 O ATOM 516 O5' DT C 117 1.414 17.358 1.730 1.00 0.82 O ATOM 517 C5' DT C 117 0.631 17.708 2.877 1.00 0.80 C ATOM 518 C4' DT C 117 -0.517 16.716 3.118 1.00 0.64 C ATOM 519 O4' DT C 117 -1.665 17.058 2.306 1.00 0.56 O ATOM 520 C3' DT C 117 -0.120 15.272 2.785 1.00 0.58 C ATOM 521 O3' DT C 117 -0.094 14.466 3.963 1.00 0.63 O ATOM 522 C2' DT C 117 -1.185 14.764 1.833 1.00 0.52 C ATOM 523 C1' DT C 117 -2.228 15.870 1.710 1.00 0.51 C ATOM 524 N1 DT C 117 -2.590 16.101 0.285 1.00 0.49 N ATOM 525 C2 DT C 117 -3.895 15.849 -0.119 1.00 0.55 C ATOM 526 O2 DT C 117 -4.755 15.448 0.661 1.00 0.62 O ATOM 527 N3 DT C 117 -4.171 16.076 -1.456 1.00 0.57 N ATOM 528 C4 DT C 117 -3.276 16.525 -2.408 1.00 0.54 C ATOM 529 O4 DT C 117 -3.631 16.692 -3.573 1.00 0.59 O ATOM 530 C5 DT C 117 -1.946 16.760 -1.896 1.00 0.48 C ATOM 531 C7 DT C 117 -0.857 17.261 -2.841 1.00 0.50 C ATOM 532 C6 DT C 117 -1.652 16.546 -0.597 1.00 0.46 C ATOM 533 H5' DT C 117 0.213 18.704 2.733 1.00 0.90 H ATOM 534 H5'' DT C 117 1.279 17.721 3.754 1.00 0.96 H ATOM 535 H4' DT C 117 -0.807 16.764 4.168 1.00 0.75 H ATOM 536 H3' DT C 117 0.862 15.240 2.303 1.00 0.65 H ATOM 537 H2' DT C 117 -0.751 14.554 0.855 1.00 0.57 H ATOM 538 H2'' DT C 117 -1.639 13.857 2.236 1.00 0.59 H ATOM 539 H1' DT C 117 -3.116 15.589 2.276 1.00 0.58 H ATOM 540 H3 DT C 117 -5.114 15.895 -1.765 1.00 0.65 H ATOM 541 H71 DT C 117 -1.104 16.975 -3.864 1.00 1.06 H ATOM 542 H72 DT C 117 0.100 16.821 -2.562 1.00 1.12 H ATOM 543 H73 DT C 117 -0.791 18.347 -2.775 1.00 1.12 H ATOM 544 H6 DT C 117 -0.644 16.717 -0.241 1.00 0.47 H ATOM 545 P DT C 118 0.282 12.905 3.865 1.00 0.67 P ATOM 546 OP1 DT C 118 0.920 12.506 5.137 1.00 0.79 O ATOM 547 OP2 DT C 118 0.988 12.679 2.583 1.00 0.71 O ATOM 548 O5' DT C 118 -1.162 12.198 3.776 1.00 0.64 O ATOM 549 C5' DT C 118 -2.017 12.142 4.920 1.00 0.70 C ATOM 550 C4' DT C 118 -3.325 11.406 4.610 1.00 0.66 C ATOM 551 O4' DT C 118 -3.960 11.982 3.446 1.00 0.64 O ATOM 552 C3' DT C 118 -3.101 9.912 4.345 1.00 0.63 C ATOM 553 O3' DT C 118 -3.743 9.118 5.347 1.00 0.66 O ATOM 554 C2' DT C 118 -3.704 9.641 2.982 1.00 0.61 C ATOM 555 C1' DT C 118 -4.262 10.965 2.468 1.00 0.61 C ATOM 556 N1 DT C 118 -3.651 11.312 1.156 1.00 0.58 N ATOM 557 C2 DT C 118 -4.473 11.361 0.038 1.00 0.59 C ATOM 558 O2 DT C 118 -5.677 11.128 0.103 1.00 0.62 O ATOM 559 N3 DT C 118 -3.858 11.688 -1.156 1.00 0.59 N ATOM 560 C4 DT C 118 -2.514 11.965 -1.333 1.00 0.58 C ATOM 561 O4 DT C 118 -2.074 12.244 -2.446 1.00 0.60 O ATOM 562 C5 DT C 118 -1.733 11.891 -0.120 1.00 0.57 C ATOM 563 C7 DT C 118 -0.230 12.176 -0.185 1.00 0.58 C ATOM 564 C6 DT C 118 -2.310 11.574 1.062 1.00 0.57 C ATOM 565 H5' DT C 118 -2.248 13.157 5.242 1.00 0.83 H ATOM 566 H5'' DT C 118 -1.500 11.622 5.726 1.00 0.76 H ATOM 567 H4' DT C 118 -3.996 11.513 5.462 1.00 0.69 H ATOM 568 H3' DT C 118 -2.031 9.678 4.332 1.00 0.64 H ATOM 569 H2' DT C 118 -2.940 9.274 2.295 1.00 0.60 H ATOM 570 H2'' DT C 118 -4.502 8.901 3.073 1.00 0.64 H ATOM 571 H1' DT C 118 -5.350 10.887 2.369 1.00 0.64 H ATOM 572 H3 DT C 118 -4.445 11.728 -1.976 1.00 0.62 H ATOM 573 H71 DT C 118 0.286 11.305 -0.589 1.00 1.18 H ATOM 574 H72 DT C 118 0.154 12.392 0.814 1.00 1.11 H ATOM 575 H73 DT C 118 -0.053 13.035 -0.833 1.00 1.20 H ATOM 576 H6 DT C 118 -1.694 11.525 1.960 1.00 0.58 H ATOM 577 P DT C 119 -3.731 7.511 5.247 1.00 0.64 P ATOM 578 OP1 DT C 119 -4.246 6.964 6.522 1.00 0.70 O ATOM 579 OP2 DT C 119 -2.405 7.088 4.745 1.00 0.64 O ATOM 580 O5' DT C 119 -4.822 7.221 4.098 1.00 0.60 O ATOM 581 C5' DT C 119 -6.208 7.108 4.428 1.00 0.66 C ATOM 582 C4' DT C 119 -7.056 6.745 3.204 1.00 0.63 C ATOM 583 O4' DT C 119 -6.727 7.607 2.091 1.00 0.59 O ATOM 584 C3' DT C 119 -6.845 5.291 2.760 1.00 0.59 C ATOM 585 O3' DT C 119 -8.040 4.525 2.932 1.00 0.64 O ATOM 586 C2' DT C 119 -6.472 5.361 1.295 1.00 0.53 C ATOM 587 C1' DT C 119 -6.523 6.832 0.891 1.00 0.53 C ATOM 588 N1 DT C 119 -5.260 7.236 0.210 1.00 0.48 N ATOM 589 C2 DT C 119 -5.335 7.678 -1.104 1.00 0.47 C ATOM 590 O2 DT C 119 -6.404 7.754 -1.707 1.00 0.49 O ATOM 591 N3 DT C 119 -4.138 8.030 -1.699 1.00 0.45 N ATOM 592 C4 DT C 119 -2.888 7.980 -1.109 1.00 0.44 C ATOM 593 O4 DT C 119 -1.886 8.316 -1.739 1.00 0.45 O ATOM 594 C5 DT C 119 -2.900 7.509 0.258 1.00 0.46 C ATOM 595 C7 DT C 119 -1.574 7.395 1.016 1.00 0.48 C ATOM 596 C6 DT C 119 -4.058 7.160 0.864 1.00 0.48 C ATOM 597 H5' DT C 119 -6.556 8.059 4.832 1.00 0.72 H ATOM 598 H5'' DT C 119 -6.331 6.334 5.186 1.00 0.73 H ATOM 599 H4' DT C 119 -8.108 6.885 3.455 1.00 0.67 H ATOM 600 H3' DT C 119 -6.034 4.826 3.330 1.00 0.59 H ATOM 601 H2' DT C 119 -5.467 4.969 1.141 1.00 0.51 H ATOM 602 H2'' DT C 119 -7.186 4.780 0.706 1.00 0.54 H ATOM 603 H1' DT C 119 -7.378 6.995 0.225 1.00 0.55 H ATOM 604 H3 DT C 119 -4.180 8.353 -2.654 1.00 0.46 H ATOM 605 H71 DT C 119 -0.985 8.297 0.852 1.00 1.14 H ATOM 606 H72 DT C 119 -1.021 6.531 0.648 1.00 1.05 H ATOM 607 H73 DT C 119 -1.761 7.275 2.085 1.00 1.07 H ATOM 608 H6 DT C 119 -4.037 6.809 1.896 1.00 0.51 H ATOM 609 P DA C 120 -8.068 2.962 2.544 1.00 0.63 P ATOM 610 OP1 DA C 120 -9.355 2.394 3.005 1.00 0.68 O ATOM 611 OP2 DA C 120 -6.794 2.353 2.985 1.00 0.66 O ATOM 612 O5' DA C 120 -8.081 2.994 0.933 1.00 0.56 O ATOM 613 C5' DA C 120 -9.221 2.523 0.209 1.00 0.54 C ATOM 614 C4' DA C 120 -8.846 2.025 -1.192 1.00 0.48 C ATOM 615 O4' DA C 120 -7.968 2.969 -1.847 1.00 0.47 O ATOM 616 C3' DA C 120 -8.143 0.661 -1.156 1.00 0.46 C ATOM 617 O3' DA C 120 -8.948 -0.338 -1.788 1.00 0.47 O ATOM 618 C2' DA C 120 -6.840 0.851 -1.909 1.00 0.44 C ATOM 619 C1' DA C 120 -6.812 2.297 -2.392 1.00 0.42 C ATOM 620 N9 DA C 120 -5.569 2.965 -1.962 1.00 0.41 N ATOM 621 C8 DA C 120 -5.076 3.132 -0.702 1.00 0.44 C ATOM 622 N7 DA C 120 -3.944 3.767 -0.632 1.00 0.44 N ATOM 623 C5 DA C 120 -3.658 4.049 -1.966 1.00 0.41 C ATOM 624 C6 DA C 120 -2.592 4.709 -2.588 1.00 0.41 C ATOM 625 N6 DA C 120 -1.565 5.234 -1.918 1.00 0.45 N ATOM 626 N1 DA C 120 -2.624 4.809 -3.928 1.00 0.40 N ATOM 627 C2 DA C 120 -3.642 4.292 -4.617 1.00 0.39 C ATOM 628 N3 DA C 120 -4.699 3.651 -4.127 1.00 0.38 N ATOM 629 C4 DA C 120 -4.641 3.564 -2.783 1.00 0.39 C ATOM 630 H5' DA C 120 -9.942 3.335 0.115 1.00 0.60 H ATOM 631 H5'' DA C 120 -9.679 1.704 0.764 1.00 0.55 H ATOM 632 H4' DA C 120 -9.757 1.931 -1.783 1.00 0.50 H ATOM 633 H3' DA C 120 -7.936 0.359 -0.124 1.00 0.50 H ATOM 634 H2' DA C 120 -5.989 0.665 -1.249 1.00 0.46 H ATOM 635 H2'' DA C 120 -6.801 0.166 -2.758 1.00 0.44 H ATOM 636 H1' DA C 120 -6.871 2.321 -3.483 1.00 0.42 H ATOM 637 H8 DA C 120 -5.593 2.759 0.182 1.00 0.47 H ATOM 638 H61 DA C 120 -0.821 5.700 -2.418 1.00 0.46 H ATOM 639 H62 DA C 120 -1.531 5.164 -0.911 1.00 0.47 H ATOM 640 H2 DA C 120 -3.603 4.408 -5.699 1.00 0.39 H ATOM 641 P DC C 121 -8.399 -1.841 -1.965 1.00 0.48 P ATOM 642 OP1 DC C 121 -9.555 -2.729 -2.224 1.00 0.54 O ATOM 643 OP2 DC C 121 -7.480 -2.134 -0.842 1.00 0.52 O ATOM 644 O5' DC C 121 -7.529 -1.739 -3.316 1.00 0.43 O ATOM 645 C5' DC C 121 -8.140 -1.326 -4.541 1.00 0.43 C ATOM 646 C4' DC C 121 -7.270 -1.680 -5.753 1.00 0.41 C ATOM 647 O4' DC C 121 -6.256 -0.670 -5.959 1.00 0.41 O ATOM 648 C3' DC C 121 -6.574 -3.038 -5.590 1.00 0.41 C ATOM 649 O3' DC C 121 -7.057 -3.967 -6.573 1.00 0.44 O ATOM 650 C2' DC C 121 -5.093 -2.760 -5.774 1.00 0.38 C ATOM 651 C1' DC C 121 -4.944 -1.267 -6.046 1.00 0.37 C ATOM 652 N1 DC C 121 -4.018 -0.623 -5.071 1.00 0.36 N ATOM 653 C2 DC C 121 -2.940 0.106 -5.570 1.00 0.36 C ATOM 654 O2 DC C 121 -2.757 0.176 -6.783 1.00 0.36 O ATOM 655 N3 DC C 121 -2.112 0.727 -4.688 1.00 0.38 N ATOM 656 C4 DC C 121 -2.324 0.644 -3.370 1.00 0.39 C ATOM 657 N4 DC C 121 -1.495 1.268 -2.533 1.00 0.43 N ATOM 658 C5 DC C 121 -3.426 -0.102 -2.847 1.00 0.38 C ATOM 659 C6 DC C 121 -4.241 -0.718 -3.726 1.00 0.38 C ATOM 660 H5' DC C 121 -8.292 -0.247 -4.517 1.00 0.46 H ATOM 661 H5'' DC C 121 -9.107 -1.819 -4.639 1.00 0.45 H ATOM 662 H4' DC C 121 -7.906 -1.719 -6.639 1.00 0.44 H ATOM 663 H3' DC C 121 -6.754 -3.447 -4.591 1.00 0.43 H ATOM 664 H2' DC C 121 -4.537 -3.037 -4.876 1.00 0.40 H ATOM 665 H2'' DC C 121 -4.718 -3.323 -6.620 1.00 0.38 H ATOM 666 H1' DC C 121 -4.563 -1.131 -7.066 1.00 0.37 H ATOM 667 H41 DC C 121 -0.715 1.797 -2.897 1.00 0.46 H ATOM 668 H42 DC C 121 -1.646 1.213 -1.536 1.00 0.44 H ATOM 669 H5 DC C 121 -3.606 -0.164 -1.775 1.00 0.41 H ATOM 670 H6 DC C 121 -5.077 -1.313 -3.360 1.00 0.41 H ATOM 671 P DT C 122 -6.313 -5.375 -6.836 1.00 0.46 P ATOM 672 OP1 DT C 122 -7.308 -6.334 -7.366 1.00 0.52 O ATOM 673 OP2 DT C 122 -5.525 -5.716 -5.630 1.00 0.46 O ATOM 674 O5' DT C 122 -5.286 -5.001 -8.022 1.00 0.44 O ATOM 675 C5' DT C 122 -5.640 -4.009 -8.992 1.00 0.51 C ATOM 676 C4' DT C 122 -4.417 -3.458 -9.735 1.00 0.43 C ATOM 677 O4' DT C 122 -3.656 -2.573 -8.880 1.00 0.43 O ATOM 678 C3' DT C 122 -3.475 -4.569 -10.221 1.00 0.42 C ATOM 679 O3' DT C 122 -3.464 -4.624 -11.651 1.00 0.46 O ATOM 680 C2' DT C 122 -2.100 -4.195 -9.697 1.00 0.39 C ATOM 681 C1' DT C 122 -2.244 -2.833 -9.022 1.00 0.40 C ATOM 682 N1 DT C 122 -1.561 -2.805 -7.697 1.00 0.40 N ATOM 683 C2 DT C 122 -0.533 -1.890 -7.499 1.00 0.45 C ATOM 684 O2 DT C 122 -0.163 -1.122 -8.385 1.00 0.49 O ATOM 685 N3 DT C 122 0.052 -1.894 -6.246 1.00 0.47 N ATOM 686 C4 DT C 122 -0.292 -2.719 -5.188 1.00 0.47 C ATOM 687 O4 DT C 122 0.294 -2.637 -4.112 1.00 0.52 O ATOM 688 C5 DT C 122 -1.369 -3.635 -5.489 1.00 0.44 C ATOM 689 C7 DT C 122 -1.862 -4.602 -4.415 1.00 0.49 C ATOM 690 C6 DT C 122 -1.951 -3.650 -6.701 1.00 0.40 C ATOM 691 H5' DT C 122 -6.145 -3.186 -8.486 1.00 0.59 H ATOM 692 H5'' DT C 122 -6.324 -4.451 -9.716 1.00 0.67 H ATOM 693 H4' DT C 122 -4.762 -2.893 -10.600 1.00 0.44 H ATOM 694 H3' DT C 122 -3.780 -5.540 -9.820 1.00 0.46 H ATOM 695 H2' DT C 122 -1.755 -4.937 -8.975 1.00 0.38 H ATOM 696 H2'' DT C 122 -1.393 -4.134 -10.527 1.00 0.43 H ATOM 697 H1' DT C 122 -1.819 -2.068 -9.670 1.00 0.45 H ATOM 698 H3 DT C 122 0.803 -1.236 -6.088 1.00 0.52 H ATOM 699 H71 DT C 122 -2.697 -4.150 -3.877 1.00 1.16 H ATOM 700 H72 DT C 122 -1.050 -4.816 -3.723 1.00 1.04 H ATOM 701 H73 DT C 122 -2.193 -5.531 -4.882 1.00 1.14 H ATOM 702 H6 DT C 122 -2.741 -4.360 -6.895 1.00 0.40 H ATOM 703 P DA C 123 -2.516 -5.670 -12.424 1.00 0.53 P ATOM 704 OP1 DA C 123 -2.863 -5.635 -13.862 1.00 0.62 O ATOM 705 OP2 DA C 123 -2.545 -6.954 -11.688 1.00 0.59 O ATOM 706 O5' DA C 123 -1.056 -5.017 -12.242 1.00 0.52 O ATOM 707 C5' DA C 123 -0.499 -4.185 -13.263 1.00 0.56 C ATOM 708 C4' DA C 123 1.032 -4.227 -13.247 1.00 0.51 C ATOM 709 O4' DA C 123 1.537 -3.637 -12.027 1.00 0.46 O ATOM 710 C3' DA C 123 1.569 -5.662 -13.347 1.00 0.49 C ATOM 711 O3' DA C 123 2.348 -5.835 -14.536 1.00 0.53 O ATOM 712 C2' DA C 123 2.426 -5.863 -12.115 1.00 0.40 C ATOM 713 C1' DA C 123 2.390 -4.564 -11.323 1.00 0.39 C ATOM 714 N9 DA C 123 1.895 -4.792 -9.949 1.00 0.36 N ATOM 715 C8 DA C 123 0.784 -5.466 -9.528 1.00 0.37 C ATOM 716 N7 DA C 123 0.617 -5.502 -8.239 1.00 0.35 N ATOM 717 C5 DA C 123 1.714 -4.787 -7.759 1.00 0.32 C ATOM 718 C6 DA C 123 2.138 -4.453 -6.467 1.00 0.31 C ATOM 719 N6 DA C 123 1.483 -4.820 -5.366 1.00 0.31 N ATOM 720 N1 DA C 123 3.270 -3.736 -6.353 1.00 0.32 N ATOM 721 C2 DA C 123 3.945 -3.369 -7.443 1.00 0.33 C ATOM 722 N3 DA C 123 3.633 -3.633 -8.707 1.00 0.33 N ATOM 723 C4 DA C 123 2.495 -4.352 -8.792 1.00 0.33 C ATOM 724 H5' DA C 123 -0.828 -3.158 -13.105 1.00 0.66 H ATOM 725 H5'' DA C 123 -0.855 -4.527 -14.234 1.00 0.63 H ATOM 726 H4' DA C 123 1.406 -3.654 -14.095 1.00 0.54 H ATOM 727 H3' DA C 123 0.746 -6.384 -13.349 1.00 0.53 H ATOM 728 H2' DA C 123 2.034 -6.681 -11.508 1.00 0.39 H ATOM 729 H2'' DA C 123 3.449 -6.083 -12.417 1.00 0.39 H ATOM 730 H1' DA C 123 3.399 -4.151 -11.268 1.00 0.38 H ATOM 731 H8 DA C 123 0.089 -5.939 -10.221 1.00 0.41 H ATOM 732 H61 DA C 123 1.833 -4.552 -4.457 1.00 0.32 H ATOM 733 H62 DA C 123 0.637 -5.368 -5.440 1.00 0.33 H ATOM 734 H2 DA C 123 4.853 -2.788 -7.278 1.00 0.35 H ATOM 735 P DC C 124 3.160 -7.204 -14.796 1.00 0.53 P ATOM 736 OP1 DC C 124 3.745 -7.146 -16.154 1.00 0.60 O ATOM 737 OP2 DC C 124 2.288 -8.338 -14.415 1.00 0.56 O ATOM 738 O5' DC C 124 4.363 -7.109 -13.722 1.00 0.44 O ATOM 739 C5' DC C 124 5.538 -6.347 -14.020 1.00 0.45 C ATOM 740 C4' DC C 124 6.553 -6.366 -12.868 1.00 0.37 C ATOM 741 O4' DC C 124 5.952 -5.868 -11.649 1.00 0.34 O ATOM 742 C3' DC C 124 7.091 -7.778 -12.584 1.00 0.35 C ATOM 743 O3' DC C 124 8.484 -7.865 -12.901 1.00 0.37 O ATOM 744 C2' DC C 124 6.879 -8.001 -11.098 1.00 0.32 C ATOM 745 C1' DC C 124 6.350 -6.687 -10.530 1.00 0.29 C ATOM 746 N1 DC C 124 5.210 -6.923 -9.600 1.00 0.27 N ATOM 747 C2 DC C 124 5.342 -6.524 -8.272 1.00 0.26 C ATOM 748 O2 DC C 124 6.376 -5.980 -7.892 1.00 0.29 O ATOM 749 N3 DC C 124 4.303 -6.754 -7.422 1.00 0.25 N ATOM 750 C4 DC C 124 3.181 -7.345 -7.852 1.00 0.26 C ATOM 751 N4 DC C 124 2.183 -7.555 -6.995 1.00 0.28 N ATOM 752 C5 DC C 124 3.043 -7.753 -9.215 1.00 0.30 C ATOM 753 C6 DC C 124 4.077 -7.521 -10.045 1.00 0.30 C ATOM 754 H5' DC C 124 5.249 -5.315 -14.219 1.00 0.48 H ATOM 755 H5'' DC C 124 6.009 -6.760 -14.912 1.00 0.51 H ATOM 756 H4' DC C 124 7.391 -5.721 -13.132 1.00 0.38 H ATOM 757 H3' DC C 124 6.539 -8.527 -13.159 1.00 0.40 H ATOM 758 H2' DC C 124 6.156 -8.801 -10.936 1.00 0.35 H ATOM 759 H2'' DC C 124 7.825 -8.263 -10.624 1.00 0.33 H ATOM 760 H1' DC C 124 7.155 -6.177 -10.002 1.00 0.30 H ATOM 761 H41 DC C 124 2.275 -7.269 -6.031 1.00 0.27 H ATOM 762 H42 DC C 124 1.333 -8.000 -7.311 1.00 0.31 H ATOM 763 H5 DC C 124 2.132 -8.236 -9.570 1.00 0.34 H ATOM 764 H6 DC C 124 4.015 -7.824 -11.083 1.00 0.33 H ATOM 765 P DT C 125 9.298 -9.232 -12.643 1.00 0.40 P ATOM 766 OP1 DT C 125 10.572 -9.162 -13.393 1.00 0.46 O ATOM 767 OP2 DT C 125 8.375 -10.369 -12.860 1.00 0.42 O ATOM 768 O5' DT C 125 9.634 -9.149 -11.069 1.00 0.39 O ATOM 769 C5' DT C 125 10.456 -8.095 -10.561 1.00 0.43 C ATOM 770 C4' DT C 125 10.683 -8.222 -9.051 1.00 0.41 C ATOM 771 O4' DT C 125 9.458 -7.946 -8.333 1.00 0.37 O ATOM 772 C3' DT C 125 11.162 -9.624 -8.648 1.00 0.47 C ATOM 773 O3' DT C 125 12.500 -9.580 -8.148 1.00 0.55 O ATOM 774 C2' DT C 125 10.213 -10.079 -7.557 1.00 0.45 C ATOM 775 C1' DT C 125 9.277 -8.905 -7.272 1.00 0.39 C ATOM 776 N1 DT C 125 7.855 -9.349 -7.181 1.00 0.35 N ATOM 777 C2 DT C 125 7.167 -9.114 -5.997 1.00 0.38 C ATOM 778 O2 DT C 125 7.691 -8.549 -5.040 1.00 0.43 O ATOM 779 N3 DT C 125 5.857 -9.552 -5.955 1.00 0.38 N ATOM 780 C4 DT C 125 5.179 -10.198 -6.971 1.00 0.36 C ATOM 781 O4 DT C 125 4.013 -10.557 -6.813 1.00 0.39 O ATOM 782 C5 DT C 125 5.967 -10.400 -8.168 1.00 0.34 C ATOM 783 C7 DT C 125 5.330 -11.114 -9.365 1.00 0.37 C ATOM 784 C6 DT C 125 7.254 -9.977 -8.234 1.00 0.34 C ATOM 785 H5' DT C 125 9.975 -7.139 -10.768 1.00 0.47 H ATOM 786 H5'' DT C 125 11.421 -8.123 -11.068 1.00 0.56 H ATOM 787 H4' DT C 125 11.436 -7.495 -8.749 1.00 0.44 H ATOM 788 H3' DT C 125 11.114 -10.311 -9.499 1.00 0.50 H ATOM 789 H2' DT C 125 9.642 -10.945 -7.890 1.00 0.46 H ATOM 790 H2'' DT C 125 10.780 -10.338 -6.661 1.00 0.52 H ATOM 791 H1' DT C 125 9.575 -8.436 -6.335 1.00 0.42 H ATOM 792 H3 DT C 125 5.345 -9.380 -5.103 1.00 0.42 H ATOM 793 H71 DT C 125 5.974 -11.029 -10.242 1.00 1.13 H ATOM 794 H72 DT C 125 4.364 -10.659 -9.583 1.00 1.05 H ATOM 795 H73 DT C 125 5.187 -12.167 -9.124 1.00 1.05 H ATOM 796 H6 DT C 125 7.827 -10.138 -9.143 1.00 0.35 H ATOM 797 P DC C 126 13.271 -10.940 -7.759 1.00 0.64 P ATOM 798 OP1 DC C 126 14.626 -10.584 -7.284 1.00 0.75 O ATOM 799 OP2 DC C 126 13.109 -11.899 -8.875 1.00 0.67 O ATOM 800 O5' DC C 126 12.421 -11.483 -6.501 1.00 0.64 O ATOM 801 C5' DC C 126 12.809 -11.156 -5.162 1.00 0.71 C ATOM 802 C4' DC C 126 12.549 -12.317 -4.196 1.00 0.73 C ATOM 803 O4' DC C 126 11.160 -12.337 -3.795 1.00 0.71 O ATOM 804 C3' DC C 126 12.886 -13.679 -4.817 1.00 0.79 C ATOM 805 O3' DC C 126 13.987 -14.285 -4.137 1.00 0.89 O ATOM 806 C2' DC C 126 11.636 -14.522 -4.659 1.00 0.80 C ATOM 807 C1' DC C 126 10.616 -13.668 -3.911 1.00 0.74 C ATOM 808 N1 DC C 126 9.320 -13.644 -4.638 1.00 0.68 N ATOM 809 C2 DC C 126 8.214 -14.250 -4.048 1.00 0.79 C ATOM 810 O2 DC C 126 8.323 -14.785 -2.947 1.00 0.98 O ATOM 811 N3 DC C 126 7.029 -14.231 -4.720 1.00 0.77 N ATOM 812 C4 DC C 126 6.931 -13.642 -5.919 1.00 0.64 C ATOM 813 N4 DC C 126 5.757 -13.635 -6.553 1.00 0.64 N ATOM 814 C5 DC C 126 8.065 -13.019 -6.527 1.00 0.63 C ATOM 815 C6 DC C 126 9.232 -13.044 -5.853 1.00 0.65 C ATOM 816 H5' DC C 126 12.244 -10.285 -4.831 1.00 0.77 H ATOM 817 H5'' DC C 126 13.873 -10.914 -5.148 1.00 0.77 H ATOM 818 H4' DC C 126 13.165 -12.177 -3.307 1.00 0.78 H ATOM 819 H3' DC C 126 13.131 -13.571 -5.879 1.00 0.79 H ATOM 820 HO3' DC C 126 14.083 -13.838 -3.293 1.00 1.15 H ATOM 821 H2' DC C 126 11.237 -14.799 -5.638 1.00 0.80 H ATOM 822 H2'' DC C 126 11.869 -15.424 -4.089 1.00 0.90 H ATOM 823 H1' DC C 126 10.472 -14.071 -2.909 1.00 0.82 H ATOM 824 H41 DC C 126 4.951 -14.072 -6.130 1.00 0.74 H ATOM 825 H42 DC C 126 5.674 -13.192 -7.456 1.00 0.63 H ATOM 826 H5 DC C 126 7.988 -12.543 -7.504 1.00 0.71 H ATOM 827 H6 DC C 126 10.117 -12.581 -6.281 1.00 0.74 H TER 828 DC C 126 ATOM 829 N GLU A 3 16.094 -13.192 10.706 1.00 3.25 N ATOM 830 CA GLU A 3 16.125 -11.804 10.164 1.00 2.61 C ATOM 831 C GLU A 3 14.801 -11.103 10.466 1.00 2.05 C ATOM 832 O GLU A 3 13.743 -11.579 10.104 1.00 2.37 O ATOM 833 CB GLU A 3 16.330 -11.850 8.647 1.00 3.14 C ATOM 834 CG GLU A 3 17.532 -12.735 8.314 1.00 3.72 C ATOM 835 CD GLU A 3 17.671 -12.852 6.796 1.00 4.48 C ATOM 836 OE1 GLU A 3 16.655 -13.002 6.138 1.00 4.94 O ATOM 837 OE2 GLU A 3 18.791 -12.788 6.318 1.00 4.96 O ATOM 838 H1 GLU A 3 15.257 -13.701 10.700 1.00 3.64 H ATOM 839 HA GLU A 3 16.935 -11.255 10.621 1.00 2.84 H ATOM 840 HB2 GLU A 3 15.444 -12.254 8.179 1.00 3.53 H ATOM 841 HB3 GLU A 3 16.507 -10.850 8.277 1.00 3.38 H ATOM 842 HG2 GLU A 3 18.429 -12.294 8.726 1.00 3.85 H ATOM 843 HG3 GLU A 3 17.386 -13.717 8.738 1.00 3.99 H ATOM 844 N LYS A 4 14.852 -9.967 11.118 1.00 1.75 N ATOM 845 CA LYS A 4 13.599 -9.211 11.442 1.00 1.51 C ATOM 846 C LYS A 4 13.801 -7.746 11.037 1.00 1.34 C ATOM 847 O LYS A 4 14.740 -7.100 11.456 1.00 1.81 O ATOM 848 CB LYS A 4 13.315 -9.298 12.972 1.00 1.74 C ATOM 849 CG LYS A 4 12.058 -10.162 13.290 1.00 1.68 C ATOM 850 CD LYS A 4 12.474 -11.595 13.666 1.00 2.02 C ATOM 851 CE LYS A 4 13.242 -11.605 15.007 1.00 2.03 C ATOM 852 NZ LYS A 4 12.796 -12.773 15.816 1.00 2.64 N ATOM 853 H LYS A 4 15.721 -9.602 11.389 1.00 2.13 H ATOM 854 HA LYS A 4 12.772 -9.613 10.877 1.00 1.76 H ATOM 855 HB2 LYS A 4 14.179 -9.730 13.456 1.00 2.22 H ATOM 856 HB3 LYS A 4 13.163 -8.301 13.373 1.00 2.36 H ATOM 857 HG2 LYS A 4 11.523 -9.722 14.121 1.00 1.98 H ATOM 858 HG3 LYS A 4 11.399 -10.197 12.439 1.00 2.11 H ATOM 859 HD2 LYS A 4 11.588 -12.207 13.759 1.00 2.42 H ATOM 860 HD3 LYS A 4 13.104 -11.999 12.886 1.00 2.40 H ATOM 861 HE2 LYS A 4 14.304 -11.687 14.819 1.00 2.20 H ATOM 862 HE3 LYS A 4 13.049 -10.696 15.560 1.00 2.10 H ATOM 863 HZ1 LYS A 4 12.379 -13.490 15.190 1.00 2.99 H ATOM 864 HZ2 LYS A 4 13.610 -13.182 16.316 1.00 3.02 H ATOM 865 HZ3 LYS A 4 12.084 -12.460 16.509 1.00 2.89 H ATOM 866 N ARG A 5 12.918 -7.211 10.243 1.00 1.21 N ATOM 867 CA ARG A 5 13.058 -5.789 9.840 1.00 1.09 C ATOM 868 C ARG A 5 12.577 -4.916 10.998 1.00 0.93 C ATOM 869 O ARG A 5 11.986 -5.405 11.940 1.00 0.95 O ATOM 870 CB ARG A 5 12.207 -5.522 8.596 1.00 1.24 C ATOM 871 CG ARG A 5 12.867 -6.184 7.382 1.00 1.58 C ATOM 872 CD ARG A 5 11.908 -6.170 6.184 1.00 1.47 C ATOM 873 NE ARG A 5 11.876 -4.811 5.575 1.00 2.25 N ATOM 874 CZ ARG A 5 11.393 -4.651 4.372 1.00 2.83 C ATOM 875 NH1 ARG A 5 10.943 -5.679 3.706 1.00 2.80 N ATOM 876 NH2 ARG A 5 11.359 -3.463 3.836 1.00 3.86 N ATOM 877 H ARG A 5 12.158 -7.741 9.924 1.00 1.59 H ATOM 878 HA ARG A 5 14.095 -5.570 9.627 1.00 1.17 H ATOM 879 HB2 ARG A 5 11.219 -5.933 8.745 1.00 1.71 H ATOM 880 HB3 ARG A 5 12.135 -4.458 8.430 1.00 1.60 H ATOM 881 HG2 ARG A 5 13.769 -5.647 7.128 1.00 2.28 H ATOM 882 HG3 ARG A 5 13.116 -7.206 7.625 1.00 2.19 H ATOM 883 HD2 ARG A 5 12.249 -6.882 5.448 1.00 1.57 H ATOM 884 HD3 ARG A 5 10.916 -6.438 6.509 1.00 1.89 H ATOM 885 HE ARG A 5 12.213 -4.039 6.076 1.00 2.72 H ATOM 886 HH11 ARG A 5 10.967 -6.590 4.116 1.00 2.39 H ATOM 887 HH12 ARG A 5 10.573 -5.555 2.785 1.00 3.49 H ATOM 888 HH21 ARG A 5 11.702 -2.674 4.346 1.00 4.23 H ATOM 889 HH22 ARG A 5 10.988 -3.341 2.916 1.00 4.42 H ATOM 890 N ARG A 6 12.831 -3.634 10.944 1.00 0.86 N ATOM 891 CA ARG A 6 12.396 -2.726 12.052 1.00 0.77 C ATOM 892 C ARG A 6 11.687 -1.505 11.471 1.00 0.73 C ATOM 893 O ARG A 6 11.658 -1.300 10.273 1.00 0.79 O ATOM 894 CB ARG A 6 13.618 -2.250 12.833 1.00 0.90 C ATOM 895 CG ARG A 6 14.446 -3.465 13.324 1.00 1.26 C ATOM 896 CD ARG A 6 15.113 -3.169 14.686 1.00 0.98 C ATOM 897 NE ARG A 6 16.528 -3.627 14.656 1.00 1.69 N ATOM 898 CZ ARG A 6 17.370 -3.186 15.550 1.00 1.92 C ATOM 899 NH1 ARG A 6 16.962 -2.364 16.479 1.00 2.10 N ATOM 900 NH2 ARG A 6 18.617 -3.568 15.518 1.00 2.68 N ATOM 901 H ARG A 6 13.315 -3.267 10.175 1.00 0.95 H ATOM 902 HA ARG A 6 11.730 -3.247 12.731 1.00 0.74 H ATOM 903 HB2 ARG A 6 14.230 -1.627 12.194 1.00 1.23 H ATOM 904 HB3 ARG A 6 13.278 -1.670 13.677 1.00 1.38 H ATOM 905 HG2 ARG A 6 13.801 -4.330 13.423 1.00 1.98 H ATOM 906 HG3 ARG A 6 15.216 -3.686 12.598 1.00 1.94 H ATOM 907 HD2 ARG A 6 15.091 -2.108 14.895 1.00 1.11 H ATOM 908 HD3 ARG A 6 14.589 -3.698 15.467 1.00 1.15 H ATOM 909 HE ARG A 6 16.827 -4.255 13.964 1.00 2.42 H ATOM 910 HH11 ARG A 6 16.005 -2.074 16.505 1.00 2.00 H ATOM 911 HH12 ARG A 6 17.606 -2.026 17.165 1.00 2.76 H ATOM 912 HH21 ARG A 6 18.929 -4.199 14.809 1.00 3.18 H ATOM 913 HH22 ARG A 6 19.260 -3.228 16.205 1.00 3.02 H ATOM 914 N ASP A 7 11.131 -0.680 12.314 1.00 0.67 N ATOM 915 CA ASP A 7 10.441 0.544 11.822 1.00 0.69 C ATOM 916 C ASP A 7 11.481 1.644 11.612 1.00 0.76 C ATOM 917 O ASP A 7 12.668 1.388 11.571 1.00 0.88 O ATOM 918 CB ASP A 7 9.419 1.007 12.861 1.00 0.67 C ATOM 919 CG ASP A 7 10.091 1.084 14.233 1.00 0.86 C ATOM 920 OD1 ASP A 7 11.276 0.802 14.307 1.00 1.38 O ATOM 921 OD2 ASP A 7 9.409 1.422 15.186 1.00 1.56 O ATOM 922 H ASP A 7 11.180 -0.860 13.277 1.00 0.67 H ATOM 923 HA ASP A 7 9.940 0.332 10.888 1.00 0.72 H ATOM 924 HB2 ASP A 7 9.045 1.983 12.586 1.00 0.87 H ATOM 925 HB3 ASP A 7 8.601 0.306 12.903 1.00 0.70 H ATOM 926 N ASN A 8 11.050 2.867 11.485 1.00 0.75 N ATOM 927 CA ASN A 8 12.025 3.979 11.286 1.00 0.82 C ATOM 928 C ASN A 8 12.715 4.294 12.616 1.00 0.83 C ATOM 929 O ASN A 8 13.564 5.160 12.695 1.00 0.94 O ATOM 930 CB ASN A 8 11.291 5.225 10.791 1.00 0.87 C ATOM 931 CG ASN A 8 10.540 4.897 9.500 1.00 1.41 C ATOM 932 OD1 ASN A 8 11.018 4.135 8.682 1.00 2.20 O ATOM 933 ND2 ASN A 8 9.376 5.443 9.282 1.00 1.93 N ATOM 934 H ASN A 8 10.086 3.056 11.523 1.00 0.73 H ATOM 935 HA ASN A 8 12.766 3.683 10.558 1.00 0.93 H ATOM 936 HB2 ASN A 8 10.588 5.551 11.544 1.00 1.17 H ATOM 937 HB3 ASN A 8 12.005 6.012 10.599 1.00 1.28 H ATOM 938 HD21 ASN A 8 8.992 6.057 9.942 1.00 2.17 H ATOM 939 HD22 ASN A 8 8.886 5.240 8.458 1.00 2.51 H ATOM 940 N ARG A 9 12.351 3.597 13.663 1.00 0.82 N ATOM 941 CA ARG A 9 12.972 3.844 15.003 1.00 0.91 C ATOM 942 C ARG A 9 13.959 2.718 15.326 1.00 0.96 C ATOM 943 O ARG A 9 15.023 2.629 14.748 1.00 1.24 O ATOM 944 CB ARG A 9 11.871 3.873 16.067 1.00 0.92 C ATOM 945 CG ARG A 9 10.851 4.968 15.732 1.00 1.02 C ATOM 946 CD ARG A 9 11.513 6.351 15.806 1.00 1.43 C ATOM 947 NE ARG A 9 10.470 7.381 16.072 1.00 1.91 N ATOM 948 CZ ARG A 9 10.818 8.575 16.465 1.00 2.30 C ATOM 949 NH1 ARG A 9 12.080 8.866 16.625 1.00 2.49 N ATOM 950 NH2 ARG A 9 9.904 9.476 16.699 1.00 3.03 N ATOM 951 H ARG A 9 11.662 2.907 13.570 1.00 0.83 H ATOM 952 HA ARG A 9 13.496 4.790 15.004 1.00 1.00 H ATOM 953 HB2 ARG A 9 11.371 2.916 16.090 1.00 0.85 H ATOM 954 HB3 ARG A 9 12.308 4.073 17.034 1.00 1.04 H ATOM 955 HG2 ARG A 9 10.467 4.806 14.735 1.00 1.21 H ATOM 956 HG3 ARG A 9 10.037 4.925 16.440 1.00 1.26 H ATOM 957 HD2 ARG A 9 12.242 6.367 16.603 1.00 1.85 H ATOM 958 HD3 ARG A 9 12.000 6.569 14.867 1.00 1.88 H ATOM 959 HE ARG A 9 9.522 7.161 15.953 1.00 2.40 H ATOM 960 HH11 ARG A 9 12.779 8.175 16.446 1.00 2.41 H ATOM 961 HH12 ARG A 9 12.347 9.781 16.927 1.00 3.07 H ATOM 962 HH21 ARG A 9 8.938 9.251 16.577 1.00 3.42 H ATOM 963 HH22 ARG A 9 10.171 10.391 17.001 1.00 3.43 H ATOM 964 N GLY A 10 13.614 1.858 16.248 1.00 0.85 N ATOM 965 CA GLY A 10 14.529 0.737 16.613 1.00 0.94 C ATOM 966 C GLY A 10 13.701 -0.423 17.164 1.00 0.89 C ATOM 967 O GLY A 10 14.219 -1.337 17.775 1.00 0.95 O ATOM 968 H GLY A 10 12.750 1.948 16.703 1.00 0.84 H ATOM 969 HA2 GLY A 10 15.073 0.411 15.737 1.00 0.97 H ATOM 970 HA3 GLY A 10 15.224 1.070 17.368 1.00 1.05 H ATOM 971 N ARG A 11 12.414 -0.388 16.948 1.00 0.81 N ATOM 972 CA ARG A 11 11.536 -1.480 17.451 1.00 0.79 C ATOM 973 C ARG A 11 11.579 -2.653 16.470 1.00 0.73 C ATOM 974 O ARG A 11 12.460 -2.737 15.638 1.00 0.85 O ATOM 975 CB ARG A 11 10.105 -0.949 17.575 1.00 0.80 C ATOM 976 CG ARG A 11 9.987 -0.098 18.846 1.00 1.25 C ATOM 977 CD ARG A 11 8.648 0.644 18.858 1.00 1.29 C ATOM 978 NE ARG A 11 8.490 1.398 17.583 1.00 0.91 N ATOM 979 CZ ARG A 11 7.332 1.899 17.254 1.00 1.19 C ATOM 980 NH1 ARG A 11 6.310 1.767 18.053 1.00 1.82 N ATOM 981 NH2 ARG A 11 7.195 2.539 16.127 1.00 1.51 N ATOM 982 H ARG A 11 12.024 0.360 16.451 1.00 0.79 H ATOM 983 HA ARG A 11 11.886 -1.809 18.419 1.00 0.88 H ATOM 984 HB2 ARG A 11 9.876 -0.342 16.710 1.00 1.13 H ATOM 985 HB3 ARG A 11 9.414 -1.776 17.630 1.00 1.03 H ATOM 986 HG2 ARG A 11 10.051 -0.738 19.714 1.00 1.80 H ATOM 987 HG3 ARG A 11 10.792 0.621 18.871 1.00 1.75 H ATOM 988 HD2 ARG A 11 7.840 -0.064 18.957 1.00 1.75 H ATOM 989 HD3 ARG A 11 8.627 1.331 19.692 1.00 1.88 H ATOM 990 HE ARG A 11 9.257 1.507 16.983 1.00 1.17 H ATOM 991 HH11 ARG A 11 6.412 1.281 18.921 1.00 2.09 H ATOM 992 HH12 ARG A 11 5.425 2.152 17.797 1.00 2.27 H ATOM 993 HH21 ARG A 11 7.979 2.646 15.516 1.00 1.73 H ATOM 994 HH22 ARG A 11 6.306 2.921 15.874 1.00 1.89 H ATOM 995 N ILE A 12 10.641 -3.565 16.566 1.00 0.72 N ATOM 996 CA ILE A 12 10.628 -4.749 15.643 1.00 0.67 C ATOM 997 C ILE A 12 9.231 -4.921 15.039 1.00 0.59 C ATOM 998 O ILE A 12 8.263 -5.144 15.739 1.00 0.66 O ATOM 999 CB ILE A 12 10.978 -6.021 16.427 1.00 0.77 C ATOM 1000 CG1 ILE A 12 12.389 -5.902 17.054 1.00 0.94 C ATOM 1001 CG2 ILE A 12 10.910 -7.227 15.481 1.00 0.74 C ATOM 1002 CD1 ILE A 12 13.480 -6.311 16.052 1.00 0.99 C ATOM 1003 H ILE A 12 9.945 -3.474 17.250 1.00 0.87 H ATOM 1004 HA ILE A 12 11.343 -4.610 14.845 1.00 0.67 H ATOM 1005 HB ILE A 12 10.249 -6.155 17.215 1.00 0.82 H ATOM 1006 HG12 ILE A 12 12.560 -4.883 17.366 1.00 1.01 H ATOM 1007 HG13 ILE A 12 12.446 -6.548 17.919 1.00 1.05 H ATOM 1008 HG21 ILE A 12 11.399 -6.980 14.548 1.00 1.28 H ATOM 1009 HG22 ILE A 12 11.406 -8.071 15.936 1.00 1.11 H ATOM 1010 HG23 ILE A 12 9.876 -7.476 15.290 1.00 1.35 H ATOM 1011 HD11 ILE A 12 13.222 -5.953 15.068 1.00 1.41 H ATOM 1012 HD12 ILE A 12 14.425 -5.884 16.354 1.00 1.45 H ATOM 1013 HD13 ILE A 12 13.563 -7.388 16.033 1.00 1.39 H ATOM 1014 N LEU A 13 9.125 -4.841 13.739 1.00 0.54 N ATOM 1015 CA LEU A 13 7.800 -5.022 13.075 1.00 0.55 C ATOM 1016 C LEU A 13 7.616 -6.508 12.755 1.00 0.52 C ATOM 1017 O LEU A 13 8.558 -7.190 12.403 1.00 0.56 O ATOM 1018 CB LEU A 13 7.769 -4.217 11.769 1.00 0.65 C ATOM 1019 CG LEU A 13 7.612 -2.711 12.065 1.00 0.63 C ATOM 1020 CD1 LEU A 13 8.131 -1.898 10.875 1.00 0.84 C ATOM 1021 CD2 LEU A 13 6.135 -2.361 12.293 1.00 0.98 C ATOM 1022 H LEU A 13 9.923 -4.676 13.194 1.00 0.56 H ATOM 1023 HA LEU A 13 7.010 -4.691 13.732 1.00 0.62 H ATOM 1024 HB2 LEU A 13 8.694 -4.384 11.235 1.00 0.96 H ATOM 1025 HB3 LEU A 13 6.944 -4.554 11.159 1.00 0.87 H ATOM 1026 HG LEU A 13 8.184 -2.456 12.947 1.00 1.01 H ATOM 1027 HD11 LEU A 13 7.672 -2.260 9.965 1.00 1.41 H ATOM 1028 HD12 LEU A 13 7.881 -0.857 11.014 1.00 1.39 H ATOM 1029 HD13 LEU A 13 9.204 -2.006 10.805 1.00 1.34 H ATOM 1030 HD21 LEU A 13 5.543 -2.735 11.472 1.00 1.46 H ATOM 1031 HD22 LEU A 13 5.792 -2.803 13.215 1.00 1.59 H ATOM 1032 HD23 LEU A 13 6.028 -1.288 12.350 1.00 1.46 H ATOM 1033 N LYS A 14 6.420 -7.024 12.869 1.00 0.50 N ATOM 1034 CA LYS A 14 6.207 -8.474 12.563 1.00 0.52 C ATOM 1035 C LYS A 14 5.874 -8.628 11.073 1.00 0.47 C ATOM 1036 O LYS A 14 5.478 -7.686 10.416 1.00 0.54 O ATOM 1037 CB LYS A 14 5.048 -9.017 13.423 1.00 0.61 C ATOM 1038 CG LYS A 14 5.574 -9.477 14.798 1.00 1.17 C ATOM 1039 CD LYS A 14 6.098 -10.922 14.708 1.00 0.88 C ATOM 1040 CE LYS A 14 7.074 -11.193 15.855 1.00 1.33 C ATOM 1041 NZ LYS A 14 6.406 -10.914 17.158 1.00 2.16 N ATOM 1042 H LYS A 14 5.665 -6.463 13.155 1.00 0.51 H ATOM 1043 HA LYS A 14 7.111 -9.026 12.782 1.00 0.57 H ATOM 1044 HB2 LYS A 14 4.316 -8.235 13.565 1.00 0.86 H ATOM 1045 HB3 LYS A 14 4.580 -9.853 12.920 1.00 0.82 H ATOM 1046 HG2 LYS A 14 6.372 -8.820 15.117 1.00 1.75 H ATOM 1047 HG3 LYS A 14 4.770 -9.436 15.518 1.00 1.93 H ATOM 1048 HD2 LYS A 14 5.267 -11.609 14.775 1.00 1.43 H ATOM 1049 HD3 LYS A 14 6.606 -11.068 13.767 1.00 1.05 H ATOM 1050 HE2 LYS A 14 7.385 -12.227 15.825 1.00 1.60 H ATOM 1051 HE3 LYS A 14 7.938 -10.554 15.750 1.00 1.80 H ATOM 1052 HZ1 LYS A 14 5.433 -10.590 16.987 1.00 2.57 H ATOM 1053 HZ2 LYS A 14 6.387 -11.783 17.730 1.00 2.59 H ATOM 1054 HZ3 LYS A 14 6.931 -10.175 17.666 1.00 2.64 H ATOM 1055 N THR A 15 6.039 -9.808 10.533 1.00 0.51 N ATOM 1056 CA THR A 15 5.738 -10.018 9.085 1.00 0.53 C ATOM 1057 C THR A 15 4.386 -9.391 8.747 1.00 0.55 C ATOM 1058 O THR A 15 3.587 -9.107 9.618 1.00 1.14 O ATOM 1059 CB THR A 15 5.688 -11.520 8.777 1.00 0.62 C ATOM 1060 OG1 THR A 15 6.977 -12.084 8.968 1.00 0.98 O ATOM 1061 CG2 THR A 15 5.244 -11.738 7.326 1.00 0.92 C ATOM 1062 H THR A 15 6.364 -10.555 11.078 1.00 0.61 H ATOM 1063 HA THR A 15 6.508 -9.554 8.487 1.00 0.52 H ATOM 1064 HB THR A 15 4.983 -11.999 9.439 1.00 0.87 H ATOM 1065 HG1 THR A 15 7.237 -12.514 8.150 1.00 1.41 H ATOM 1066 HG21 THR A 15 5.775 -11.054 6.679 1.00 1.37 H ATOM 1067 HG22 THR A 15 5.464 -12.754 7.032 1.00 1.40 H ATOM 1068 HG23 THR A 15 4.182 -11.561 7.242 1.00 1.61 H ATOM 1069 N GLY A 16 4.121 -9.175 7.489 1.00 0.57 N ATOM 1070 CA GLY A 16 2.818 -8.568 7.102 1.00 0.54 C ATOM 1071 C GLY A 16 2.872 -7.059 7.336 1.00 0.45 C ATOM 1072 O GLY A 16 2.306 -6.285 6.590 1.00 0.44 O ATOM 1073 H GLY A 16 4.777 -9.411 6.801 1.00 1.04 H ATOM 1074 HA2 GLY A 16 2.618 -8.771 6.060 1.00 0.57 H ATOM 1075 HA3 GLY A 16 2.031 -8.993 7.706 1.00 0.61 H ATOM 1076 N GLU A 17 3.537 -6.632 8.380 1.00 0.44 N ATOM 1077 CA GLU A 17 3.616 -5.168 8.679 1.00 0.41 C ATOM 1078 C GLU A 17 4.864 -4.566 8.033 1.00 0.42 C ATOM 1079 O GLU A 17 5.821 -5.254 7.735 1.00 0.54 O ATOM 1080 CB GLU A 17 3.688 -4.961 10.193 1.00 0.49 C ATOM 1081 CG GLU A 17 2.380 -5.424 10.836 1.00 0.66 C ATOM 1082 CD GLU A 17 2.569 -5.540 12.348 1.00 1.24 C ATOM 1083 OE1 GLU A 17 3.218 -4.675 12.912 1.00 2.07 O ATOM 1084 OE2 GLU A 17 2.061 -6.492 12.917 1.00 1.81 O ATOM 1085 H GLU A 17 3.977 -7.275 8.975 1.00 0.51 H ATOM 1086 HA GLU A 17 2.737 -4.669 8.295 1.00 0.39 H ATOM 1087 HB2 GLU A 17 4.513 -5.531 10.597 1.00 0.59 H ATOM 1088 HB3 GLU A 17 3.838 -3.913 10.403 1.00 0.69 H ATOM 1089 HG2 GLU A 17 1.601 -4.706 10.623 1.00 1.35 H ATOM 1090 HG3 GLU A 17 2.102 -6.387 10.435 1.00 1.17 H ATOM 1091 N SER A 18 4.858 -3.279 7.822 1.00 0.39 N ATOM 1092 CA SER A 18 6.035 -2.611 7.202 1.00 0.44 C ATOM 1093 C SER A 18 5.787 -1.101 7.168 1.00 0.50 C ATOM 1094 O SER A 18 4.925 -0.592 7.858 1.00 0.91 O ATOM 1095 CB SER A 18 6.223 -3.136 5.778 1.00 0.51 C ATOM 1096 OG SER A 18 4.968 -3.145 5.111 1.00 1.35 O ATOM 1097 H SER A 18 4.075 -2.747 8.074 1.00 0.42 H ATOM 1098 HA SER A 18 6.919 -2.818 7.785 1.00 0.48 H ATOM 1099 HB2 SER A 18 6.905 -2.498 5.243 1.00 0.97 H ATOM 1100 HB3 SER A 18 6.628 -4.139 5.817 1.00 1.19 H ATOM 1101 HG SER A 18 4.496 -3.938 5.375 1.00 1.83 H ATOM 1102 N GLN A 19 6.528 -0.378 6.369 1.00 0.58 N ATOM 1103 CA GLN A 19 6.327 1.103 6.286 1.00 0.56 C ATOM 1104 C GLN A 19 6.537 1.552 4.839 1.00 0.56 C ATOM 1105 O GLN A 19 7.398 1.052 4.142 1.00 0.65 O ATOM 1106 CB GLN A 19 7.323 1.816 7.207 1.00 0.62 C ATOM 1107 CG GLN A 19 8.749 1.386 6.862 1.00 1.20 C ATOM 1108 CD GLN A 19 9.711 1.892 7.938 1.00 1.66 C ATOM 1109 OE1 GLN A 19 10.908 1.722 7.826 1.00 2.44 O ATOM 1110 NE2 GLN A 19 9.237 2.513 8.983 1.00 1.95 N ATOM 1111 H GLN A 19 7.214 -0.809 5.817 1.00 0.93 H ATOM 1112 HA GLN A 19 5.317 1.350 6.587 1.00 0.56 H ATOM 1113 HB2 GLN A 19 7.229 2.885 7.078 1.00 1.14 H ATOM 1114 HB3 GLN A 19 7.111 1.558 8.234 1.00 1.30 H ATOM 1115 HG2 GLN A 19 8.797 0.308 6.815 1.00 1.90 H ATOM 1116 HG3 GLN A 19 9.030 1.803 5.907 1.00 1.75 H ATOM 1117 HE21 GLN A 19 8.271 2.653 9.075 1.00 2.10 H ATOM 1118 HE22 GLN A 19 9.847 2.839 9.676 1.00 2.46 H ATOM 1119 N ARG A 20 5.741 2.479 4.374 1.00 0.58 N ATOM 1120 CA ARG A 20 5.877 2.945 2.962 1.00 0.63 C ATOM 1121 C ARG A 20 6.957 4.034 2.870 1.00 0.61 C ATOM 1122 O ARG A 20 7.875 4.086 3.664 1.00 0.76 O ATOM 1123 CB ARG A 20 4.506 3.484 2.476 1.00 0.72 C ATOM 1124 CG ARG A 20 4.128 2.845 1.127 1.00 0.99 C ATOM 1125 CD ARG A 20 2.959 3.607 0.478 1.00 1.10 C ATOM 1126 NE ARG A 20 3.495 4.638 -0.452 1.00 1.63 N ATOM 1127 CZ ARG A 20 2.707 5.191 -1.332 1.00 2.03 C ATOM 1128 NH1 ARG A 20 1.449 4.846 -1.387 1.00 2.24 N ATOM 1129 NH2 ARG A 20 3.174 6.088 -2.156 1.00 2.84 N ATOM 1130 H ARG A 20 5.043 2.858 4.948 1.00 0.63 H ATOM 1131 HA ARG A 20 6.178 2.107 2.346 1.00 0.73 H ATOM 1132 HB2 ARG A 20 3.752 3.232 3.207 1.00 1.12 H ATOM 1133 HB3 ARG A 20 4.541 4.559 2.364 1.00 1.28 H ATOM 1134 HG2 ARG A 20 4.983 2.876 0.467 1.00 1.75 H ATOM 1135 HG3 ARG A 20 3.841 1.816 1.291 1.00 1.57 H ATOM 1136 HD2 ARG A 20 2.341 2.915 -0.078 1.00 1.56 H ATOM 1137 HD3 ARG A 20 2.361 4.086 1.239 1.00 1.51 H ATOM 1138 HE ARG A 20 4.439 4.897 -0.407 1.00 2.22 H ATOM 1139 HH11 ARG A 20 1.092 4.158 -0.755 1.00 2.19 H ATOM 1140 HH12 ARG A 20 0.844 5.268 -2.061 1.00 2.86 H ATOM 1141 HH21 ARG A 20 4.138 6.352 -2.113 1.00 3.28 H ATOM 1142 HH22 ARG A 20 2.569 6.511 -2.830 1.00 3.26 H ATOM 1143 N LYS A 21 6.855 4.887 1.887 1.00 0.59 N ATOM 1144 CA LYS A 21 7.870 5.964 1.705 1.00 0.61 C ATOM 1145 C LYS A 21 7.494 7.189 2.548 1.00 0.59 C ATOM 1146 O LYS A 21 8.323 8.028 2.841 1.00 0.65 O ATOM 1147 CB LYS A 21 7.910 6.365 0.222 1.00 0.70 C ATOM 1148 CG LYS A 21 8.131 5.113 -0.678 1.00 0.80 C ATOM 1149 CD LYS A 21 7.326 5.220 -1.988 1.00 0.86 C ATOM 1150 CE LYS A 21 8.046 6.147 -2.971 1.00 1.07 C ATOM 1151 NZ LYS A 21 8.440 7.405 -2.280 1.00 1.77 N ATOM 1152 H LYS A 21 6.111 4.810 1.254 1.00 0.70 H ATOM 1153 HA LYS A 21 8.842 5.603 2.005 1.00 0.64 H ATOM 1154 HB2 LYS A 21 6.978 6.849 -0.028 1.00 0.74 H ATOM 1155 HB3 LYS A 21 8.721 7.063 0.071 1.00 0.75 H ATOM 1156 HG2 LYS A 21 9.181 5.027 -0.920 1.00 0.96 H ATOM 1157 HG3 LYS A 21 7.821 4.221 -0.154 1.00 1.14 H ATOM 1158 HD2 LYS A 21 7.241 4.238 -2.428 1.00 1.05 H ATOM 1159 HD3 LYS A 21 6.338 5.603 -1.789 1.00 1.28 H ATOM 1160 HE2 LYS A 21 8.929 5.653 -3.346 1.00 1.41 H ATOM 1161 HE3 LYS A 21 7.387 6.378 -3.794 1.00 1.54 H ATOM 1162 HZ1 LYS A 21 7.689 7.690 -1.620 1.00 2.36 H ATOM 1163 HZ2 LYS A 21 9.321 7.248 -1.751 1.00 2.12 H ATOM 1164 HZ3 LYS A 21 8.587 8.155 -2.988 1.00 2.14 H ATOM 1165 N ASP A 22 6.249 7.308 2.927 1.00 0.56 N ATOM 1166 CA ASP A 22 5.821 8.489 3.737 1.00 0.60 C ATOM 1167 C ASP A 22 6.130 8.257 5.221 1.00 0.54 C ATOM 1168 O ASP A 22 5.794 9.065 6.064 1.00 0.58 O ATOM 1169 CB ASP A 22 4.317 8.708 3.559 1.00 0.66 C ATOM 1170 CG ASP A 22 4.015 9.000 2.089 1.00 0.72 C ATOM 1171 OD1 ASP A 22 4.948 9.296 1.360 1.00 1.29 O ATOM 1172 OD2 ASP A 22 2.856 8.922 1.715 1.00 1.33 O ATOM 1173 H ASP A 22 5.594 6.627 2.670 1.00 0.55 H ATOM 1174 HA ASP A 22 6.350 9.367 3.397 1.00 0.70 H ATOM 1175 HB2 ASP A 22 3.785 7.820 3.867 1.00 0.70 H ATOM 1176 HB3 ASP A 22 4.001 9.545 4.162 1.00 0.75 H ATOM 1177 N GLY A 23 6.767 7.166 5.550 1.00 0.50 N ATOM 1178 CA GLY A 23 7.093 6.898 6.981 1.00 0.51 C ATOM 1179 C GLY A 23 5.871 6.308 7.685 1.00 0.43 C ATOM 1180 O GLY A 23 5.981 5.698 8.730 1.00 0.41 O ATOM 1181 H GLY A 23 7.032 6.525 4.860 1.00 0.52 H ATOM 1182 HA2 GLY A 23 7.914 6.197 7.036 1.00 0.54 H ATOM 1183 HA3 GLY A 23 7.374 7.820 7.468 1.00 0.57 H ATOM 1184 N ARG A 24 4.706 6.479 7.124 1.00 0.45 N ATOM 1185 CA ARG A 24 3.487 5.919 7.770 1.00 0.42 C ATOM 1186 C ARG A 24 3.551 4.394 7.716 1.00 0.39 C ATOM 1187 O ARG A 24 4.173 3.821 6.844 1.00 0.45 O ATOM 1188 CB ARG A 24 2.241 6.408 7.029 1.00 0.53 C ATOM 1189 CG ARG A 24 2.235 5.849 5.606 1.00 0.63 C ATOM 1190 CD ARG A 24 1.211 6.612 4.763 1.00 0.54 C ATOM 1191 NE ARG A 24 1.548 8.064 4.768 1.00 0.86 N ATOM 1192 CZ ARG A 24 0.989 8.868 3.907 1.00 0.99 C ATOM 1193 NH1 ARG A 24 0.134 8.403 3.041 1.00 1.15 N ATOM 1194 NH2 ARG A 24 1.284 10.139 3.915 1.00 1.49 N ATOM 1195 H ARG A 24 4.634 6.972 6.280 1.00 0.52 H ATOM 1196 HA ARG A 24 3.445 6.242 8.800 1.00 0.42 H ATOM 1197 HB2 ARG A 24 1.358 6.071 7.551 1.00 1.00 H ATOM 1198 HB3 ARG A 24 2.246 7.484 6.991 1.00 0.83 H ATOM 1199 HG2 ARG A 24 3.218 5.960 5.172 1.00 0.99 H ATOM 1200 HG3 ARG A 24 1.970 4.803 5.633 1.00 1.14 H ATOM 1201 HD2 ARG A 24 1.230 6.242 3.749 1.00 0.71 H ATOM 1202 HD3 ARG A 24 0.224 6.467 5.179 1.00 0.81 H ATOM 1203 HE ARG A 24 2.190 8.415 5.420 1.00 1.33 H ATOM 1204 HH11 ARG A 24 -0.094 7.429 3.038 1.00 1.19 H ATOM 1205 HH12 ARG A 24 -0.296 9.019 2.381 1.00 1.54 H ATOM 1206 HH21 ARG A 24 1.937 10.496 4.582 1.00 1.84 H ATOM 1207 HH22 ARG A 24 0.855 10.756 3.255 1.00 1.69 H ATOM 1208 N TYR A 25 2.925 3.728 8.646 1.00 0.36 N ATOM 1209 CA TYR A 25 2.969 2.240 8.645 1.00 0.37 C ATOM 1210 C TYR A 25 2.022 1.688 7.580 1.00 0.42 C ATOM 1211 O TYR A 25 1.039 2.311 7.214 1.00 0.49 O ATOM 1212 CB TYR A 25 2.560 1.711 10.021 1.00 0.38 C ATOM 1213 CG TYR A 25 3.624 2.077 11.033 1.00 0.38 C ATOM 1214 CD1 TYR A 25 4.913 1.536 10.920 1.00 0.42 C ATOM 1215 CD2 TYR A 25 3.326 2.958 12.081 1.00 0.44 C ATOM 1216 CE1 TYR A 25 5.901 1.876 11.851 1.00 0.47 C ATOM 1217 CE2 TYR A 25 4.315 3.298 13.013 1.00 0.50 C ATOM 1218 CZ TYR A 25 5.603 2.758 12.897 1.00 0.50 C ATOM 1219 OH TYR A 25 6.576 3.093 13.816 1.00 0.59 O ATOM 1220 H TYR A 25 2.435 4.205 9.348 1.00 0.38 H ATOM 1221 HA TYR A 25 3.973 1.917 8.423 1.00 0.40 H ATOM 1222 HB2 TYR A 25 1.615 2.148 10.308 1.00 0.40 H ATOM 1223 HB3 TYR A 25 2.461 0.636 9.977 1.00 0.42 H ATOM 1224 HD1 TYR A 25 5.143 0.854 10.116 1.00 0.46 H ATOM 1225 HD2 TYR A 25 2.334 3.376 12.169 1.00 0.49 H ATOM 1226 HE1 TYR A 25 6.896 1.461 11.760 1.00 0.53 H ATOM 1227 HE2 TYR A 25 4.086 3.978 13.820 1.00 0.59 H ATOM 1228 HH TYR A 25 7.172 2.345 13.903 1.00 0.64 H ATOM 1229 N LEU A 26 2.323 0.514 7.085 1.00 0.45 N ATOM 1230 CA LEU A 26 1.475 -0.126 6.037 1.00 0.55 C ATOM 1231 C LEU A 26 1.412 -1.628 6.325 1.00 0.47 C ATOM 1232 O LEU A 26 2.425 -2.289 6.445 1.00 0.54 O ATOM 1233 CB LEU A 26 2.114 0.132 4.656 1.00 0.69 C ATOM 1234 CG LEU A 26 1.574 -0.839 3.588 1.00 0.73 C ATOM 1235 CD1 LEU A 26 0.050 -0.734 3.495 1.00 1.21 C ATOM 1236 CD2 LEU A 26 2.181 -0.475 2.231 1.00 1.24 C ATOM 1237 H LEU A 26 3.122 0.048 7.409 1.00 0.43 H ATOM 1238 HA LEU A 26 0.479 0.292 6.063 1.00 0.62 H ATOM 1239 HB2 LEU A 26 1.896 1.145 4.352 1.00 1.04 H ATOM 1240 HB3 LEU A 26 3.184 0.010 4.735 1.00 1.07 H ATOM 1241 HG LEU A 26 1.852 -1.852 3.837 1.00 1.39 H ATOM 1242 HD11 LEU A 26 -0.232 0.295 3.329 1.00 1.77 H ATOM 1243 HD12 LEU A 26 -0.298 -1.340 2.673 1.00 1.64 H ATOM 1244 HD13 LEU A 26 -0.396 -1.087 4.410 1.00 1.81 H ATOM 1245 HD21 LEU A 26 3.257 -0.545 2.288 1.00 1.87 H ATOM 1246 HD22 LEU A 26 1.814 -1.157 1.478 1.00 1.77 H ATOM 1247 HD23 LEU A 26 1.899 0.535 1.970 1.00 1.63 H ATOM 1248 N TYR A 27 0.224 -2.166 6.436 1.00 0.44 N ATOM 1249 CA TYR A 27 0.059 -3.625 6.717 1.00 0.38 C ATOM 1250 C TYR A 27 -0.701 -4.270 5.555 1.00 0.35 C ATOM 1251 O TYR A 27 -1.895 -4.081 5.390 1.00 0.38 O ATOM 1252 CB TYR A 27 -0.718 -3.781 8.032 1.00 0.41 C ATOM 1253 CG TYR A 27 -1.192 -5.206 8.216 1.00 0.38 C ATOM 1254 CD1 TYR A 27 -0.261 -6.230 8.398 1.00 0.37 C ATOM 1255 CD2 TYR A 27 -2.563 -5.500 8.220 1.00 0.42 C ATOM 1256 CE1 TYR A 27 -0.694 -7.549 8.585 1.00 0.37 C ATOM 1257 CE2 TYR A 27 -2.997 -6.818 8.406 1.00 0.43 C ATOM 1258 CZ TYR A 27 -2.063 -7.842 8.589 1.00 0.38 C ATOM 1259 OH TYR A 27 -2.490 -9.141 8.771 1.00 0.41 O ATOM 1260 H TYR A 27 -0.571 -1.602 6.334 1.00 0.51 H ATOM 1261 HA TYR A 27 1.025 -4.100 6.814 1.00 0.37 H ATOM 1262 HB2 TYR A 27 -0.069 -3.517 8.854 1.00 0.45 H ATOM 1263 HB3 TYR A 27 -1.563 -3.119 8.025 1.00 0.46 H ATOM 1264 HD1 TYR A 27 0.792 -6.003 8.397 1.00 0.41 H ATOM 1265 HD2 TYR A 27 -3.285 -4.710 8.079 1.00 0.49 H ATOM 1266 HE1 TYR A 27 0.026 -8.340 8.728 1.00 0.41 H ATOM 1267 HE2 TYR A 27 -4.053 -7.044 8.414 1.00 0.50 H ATOM 1268 HH TYR A 27 -3.055 -9.374 8.029 1.00 0.98 H ATOM 1269 N LYS A 28 -0.002 -5.023 4.741 1.00 0.35 N ATOM 1270 CA LYS A 28 -0.644 -5.701 3.575 1.00 0.37 C ATOM 1271 C LYS A 28 -1.015 -7.129 3.991 1.00 0.38 C ATOM 1272 O LYS A 28 -0.246 -7.809 4.642 1.00 0.44 O ATOM 1273 CB LYS A 28 0.353 -5.729 2.394 1.00 0.47 C ATOM 1274 CG LYS A 28 -0.388 -5.632 1.047 1.00 0.45 C ATOM 1275 CD LYS A 28 0.580 -5.969 -0.104 1.00 0.62 C ATOM 1276 CE LYS A 28 0.087 -5.353 -1.425 1.00 0.44 C ATOM 1277 NZ LYS A 28 0.618 -6.148 -2.568 1.00 1.17 N ATOM 1278 H LYS A 28 0.957 -5.144 4.902 1.00 0.38 H ATOM 1279 HA LYS A 28 -1.538 -5.165 3.290 1.00 0.39 H ATOM 1280 HB2 LYS A 28 1.028 -4.892 2.485 1.00 0.73 H ATOM 1281 HB3 LYS A 28 0.924 -6.647 2.418 1.00 0.78 H ATOM 1282 HG2 LYS A 28 -1.213 -6.330 1.041 1.00 0.96 H ATOM 1283 HG3 LYS A 28 -0.766 -4.628 0.918 1.00 0.86 H ATOM 1284 HD2 LYS A 28 1.563 -5.579 0.124 1.00 1.08 H ATOM 1285 HD3 LYS A 28 0.641 -7.042 -0.214 1.00 1.17 H ATOM 1286 HE2 LYS A 28 -0.994 -5.360 -1.456 1.00 0.75 H ATOM 1287 HE3 LYS A 28 0.441 -4.335 -1.503 1.00 0.59 H ATOM 1288 HZ1 LYS A 28 1.458 -6.679 -2.259 1.00 1.74 H ATOM 1289 HZ2 LYS A 28 -0.111 -6.812 -2.897 1.00 1.63 H ATOM 1290 HZ3 LYS A 28 0.877 -5.509 -3.345 1.00 1.68 H ATOM 1291 N TYR A 29 -2.174 -7.598 3.622 1.00 0.39 N ATOM 1292 CA TYR A 29 -2.564 -8.990 4.002 1.00 0.46 C ATOM 1293 C TYR A 29 -3.568 -9.543 2.990 1.00 0.47 C ATOM 1294 O TYR A 29 -4.556 -8.915 2.664 1.00 0.53 O ATOM 1295 CB TYR A 29 -3.165 -9.003 5.414 1.00 0.55 C ATOM 1296 CG TYR A 29 -4.539 -8.372 5.416 1.00 0.57 C ATOM 1297 CD1 TYR A 29 -5.671 -9.157 5.157 1.00 0.60 C ATOM 1298 CD2 TYR A 29 -4.684 -7.006 5.687 1.00 0.60 C ATOM 1299 CE1 TYR A 29 -6.945 -8.576 5.169 1.00 0.68 C ATOM 1300 CE2 TYR A 29 -5.958 -6.426 5.698 1.00 0.66 C ATOM 1301 CZ TYR A 29 -7.088 -7.210 5.438 1.00 0.70 C ATOM 1302 OH TYR A 29 -8.343 -6.636 5.450 1.00 0.80 O ATOM 1303 H TYR A 29 -2.782 -7.043 3.091 1.00 0.39 H ATOM 1304 HA TYR A 29 -1.683 -9.618 3.990 1.00 0.50 H ATOM 1305 HB2 TYR A 29 -3.243 -10.024 5.757 1.00 0.60 H ATOM 1306 HB3 TYR A 29 -2.519 -8.452 6.081 1.00 0.59 H ATOM 1307 HD1 TYR A 29 -5.560 -10.211 4.947 1.00 0.61 H ATOM 1308 HD2 TYR A 29 -3.813 -6.400 5.888 1.00 0.60 H ATOM 1309 HE1 TYR A 29 -7.817 -9.182 4.971 1.00 0.74 H ATOM 1310 HE2 TYR A 29 -6.070 -5.372 5.906 1.00 0.70 H ATOM 1311 HH TYR A 29 -8.929 -7.213 5.947 1.00 1.06 H ATOM 1312 N ILE A 30 -3.306 -10.718 2.488 1.00 0.49 N ATOM 1313 CA ILE A 30 -4.217 -11.337 1.487 1.00 0.53 C ATOM 1314 C ILE A 30 -5.500 -11.795 2.185 1.00 0.58 C ATOM 1315 O ILE A 30 -5.475 -12.614 3.082 1.00 0.65 O ATOM 1316 CB ILE A 30 -3.519 -12.543 0.829 1.00 0.59 C ATOM 1317 CG1 ILE A 30 -2.051 -12.202 0.477 1.00 0.73 C ATOM 1318 CG2 ILE A 30 -4.261 -12.948 -0.446 1.00 0.58 C ATOM 1319 CD1 ILE A 30 -1.961 -11.253 -0.729 1.00 0.81 C ATOM 1320 H ILE A 30 -2.498 -11.194 2.768 1.00 0.53 H ATOM 1321 HA ILE A 30 -4.472 -10.608 0.736 1.00 0.52 H ATOM 1322 HB ILE A 30 -3.534 -13.374 1.519 1.00 0.67 H ATOM 1323 HG12 ILE A 30 -1.569 -11.742 1.324 1.00 1.03 H ATOM 1324 HG13 ILE A 30 -1.530 -13.113 0.235 1.00 0.75 H ATOM 1325 HG21 ILE A 30 -4.409 -12.079 -1.073 1.00 1.19 H ATOM 1326 HG22 ILE A 30 -3.675 -13.682 -0.982 1.00 1.03 H ATOM 1327 HG23 ILE A 30 -5.218 -13.371 -0.186 1.00 1.28 H ATOM 1328 HD11 ILE A 30 -2.911 -10.780 -0.913 1.00 1.23 H ATOM 1329 HD12 ILE A 30 -1.217 -10.497 -0.528 1.00 1.27 H ATOM 1330 HD13 ILE A 30 -1.668 -11.817 -1.601 1.00 1.47 H ATOM 1331 N ASP A 31 -6.624 -11.260 1.782 1.00 0.60 N ATOM 1332 CA ASP A 31 -7.916 -11.647 2.423 1.00 0.71 C ATOM 1333 C ASP A 31 -8.411 -12.972 1.826 1.00 0.77 C ATOM 1334 O ASP A 31 -7.845 -13.496 0.887 1.00 0.87 O ATOM 1335 CB ASP A 31 -8.965 -10.532 2.192 1.00 0.78 C ATOM 1336 CG ASP A 31 -8.596 -9.712 0.952 1.00 1.33 C ATOM 1337 OD1 ASP A 31 -7.489 -9.198 0.913 1.00 2.05 O ATOM 1338 OD2 ASP A 31 -9.428 -9.603 0.067 1.00 1.92 O ATOM 1339 H ASP A 31 -6.617 -10.592 1.063 1.00 0.58 H ATOM 1340 HA ASP A 31 -7.760 -11.778 3.485 1.00 0.74 H ATOM 1341 HB2 ASP A 31 -9.947 -10.967 2.053 1.00 1.14 H ATOM 1342 HB3 ASP A 31 -8.989 -9.878 3.052 1.00 1.13 H ATOM 1343 N SER A 32 -9.461 -13.519 2.378 1.00 1.04 N ATOM 1344 CA SER A 32 -9.994 -14.814 1.865 1.00 1.16 C ATOM 1345 C SER A 32 -10.552 -14.637 0.450 1.00 1.17 C ATOM 1346 O SER A 32 -11.218 -15.511 -0.070 1.00 1.31 O ATOM 1347 CB SER A 32 -11.113 -15.303 2.787 1.00 1.34 C ATOM 1348 OG SER A 32 -10.585 -15.552 4.083 1.00 2.06 O ATOM 1349 H SER A 32 -9.894 -13.081 3.142 1.00 1.29 H ATOM 1350 HA SER A 32 -9.202 -15.547 1.849 1.00 1.15 H ATOM 1351 HB2 SER A 32 -11.878 -14.549 2.855 1.00 1.68 H ATOM 1352 HB3 SER A 32 -11.538 -16.209 2.380 1.00 1.45 H ATOM 1353 HG SER A 32 -11.048 -16.305 4.453 1.00 2.49 H ATOM 1354 N PHE A 33 -10.290 -13.522 -0.183 1.00 1.06 N ATOM 1355 CA PHE A 33 -10.808 -13.298 -1.566 1.00 1.13 C ATOM 1356 C PHE A 33 -9.685 -13.578 -2.568 1.00 1.02 C ATOM 1357 O PHE A 33 -9.923 -13.984 -3.689 1.00 1.13 O ATOM 1358 CB PHE A 33 -11.266 -11.840 -1.697 1.00 1.17 C ATOM 1359 CG PHE A 33 -12.666 -11.689 -1.140 1.00 1.42 C ATOM 1360 CD1 PHE A 33 -13.775 -11.956 -1.952 1.00 1.66 C ATOM 1361 CD2 PHE A 33 -12.852 -11.289 0.189 1.00 1.47 C ATOM 1362 CE1 PHE A 33 -15.070 -11.819 -1.436 1.00 1.90 C ATOM 1363 CE2 PHE A 33 -14.146 -11.154 0.705 1.00 1.73 C ATOM 1364 CZ PHE A 33 -15.254 -11.420 -0.107 1.00 1.92 C ATOM 1365 H PHE A 33 -9.750 -12.829 0.250 1.00 0.97 H ATOM 1366 HA PHE A 33 -11.640 -13.962 -1.768 1.00 1.30 H ATOM 1367 HB2 PHE A 33 -10.593 -11.207 -1.143 1.00 1.06 H ATOM 1368 HB3 PHE A 33 -11.258 -11.549 -2.734 1.00 1.19 H ATOM 1369 HD1 PHE A 33 -13.632 -12.264 -2.977 1.00 1.69 H ATOM 1370 HD2 PHE A 33 -11.996 -11.083 0.816 1.00 1.37 H ATOM 1371 HE1 PHE A 33 -15.925 -12.024 -2.062 1.00 2.11 H ATOM 1372 HE2 PHE A 33 -14.289 -10.844 1.730 1.00 1.81 H ATOM 1373 HZ PHE A 33 -16.253 -11.316 0.292 1.00 2.13 H ATOM 1374 N GLY A 34 -8.461 -13.356 -2.170 1.00 0.86 N ATOM 1375 CA GLY A 34 -7.304 -13.598 -3.086 1.00 0.85 C ATOM 1376 C GLY A 34 -6.835 -12.263 -3.659 1.00 0.75 C ATOM 1377 O GLY A 34 -6.287 -12.199 -4.742 1.00 0.88 O ATOM 1378 H GLY A 34 -8.302 -13.024 -1.264 1.00 0.81 H ATOM 1379 HA2 GLY A 34 -6.497 -14.057 -2.531 1.00 0.88 H ATOM 1380 HA3 GLY A 34 -7.599 -14.251 -3.896 1.00 0.98 H ATOM 1381 N GLU A 35 -7.049 -11.194 -2.935 1.00 0.66 N ATOM 1382 CA GLU A 35 -6.621 -9.841 -3.420 1.00 0.67 C ATOM 1383 C GLU A 35 -5.993 -9.075 -2.233 1.00 0.57 C ATOM 1384 O GLU A 35 -6.675 -8.786 -1.270 1.00 0.56 O ATOM 1385 CB GLU A 35 -7.853 -9.061 -3.968 1.00 0.85 C ATOM 1386 CG GLU A 35 -9.129 -9.902 -3.828 1.00 1.19 C ATOM 1387 CD GLU A 35 -10.297 -9.165 -4.482 1.00 1.86 C ATOM 1388 OE1 GLU A 35 -10.274 -7.945 -4.486 1.00 2.45 O ATOM 1389 OE2 GLU A 35 -11.195 -9.832 -4.968 1.00 2.51 O ATOM 1390 H GLU A 35 -7.495 -11.279 -2.063 1.00 0.71 H ATOM 1391 HA GLU A 35 -5.896 -9.960 -4.209 1.00 0.74 H ATOM 1392 HB2 GLU A 35 -7.983 -8.135 -3.423 1.00 1.22 H ATOM 1393 HB3 GLU A 35 -7.700 -8.832 -5.014 1.00 1.16 H ATOM 1394 HG2 GLU A 35 -8.988 -10.856 -4.316 1.00 1.10 H ATOM 1395 HG3 GLU A 35 -9.347 -10.061 -2.783 1.00 1.82 H ATOM 1396 N PRO A 36 -4.716 -8.743 -2.279 1.00 0.55 N ATOM 1397 CA PRO A 36 -4.058 -8.005 -1.163 1.00 0.50 C ATOM 1398 C PRO A 36 -4.936 -6.868 -0.621 1.00 0.50 C ATOM 1399 O PRO A 36 -5.750 -6.311 -1.332 1.00 0.66 O ATOM 1400 CB PRO A 36 -2.778 -7.459 -1.799 1.00 0.59 C ATOM 1401 CG PRO A 36 -2.432 -8.447 -2.869 1.00 0.66 C ATOM 1402 CD PRO A 36 -3.762 -9.023 -3.374 1.00 0.64 C ATOM 1403 HA PRO A 36 -3.802 -8.684 -0.369 1.00 0.47 H ATOM 1404 HB2 PRO A 36 -2.956 -6.480 -2.228 1.00 0.63 H ATOM 1405 HB3 PRO A 36 -1.985 -7.411 -1.067 1.00 0.60 H ATOM 1406 HG2 PRO A 36 -1.903 -7.952 -3.676 1.00 0.75 H ATOM 1407 HG3 PRO A 36 -1.823 -9.242 -2.461 1.00 0.66 H ATOM 1408 HD2 PRO A 36 -4.069 -8.523 -4.284 1.00 0.72 H ATOM 1409 HD3 PRO A 36 -3.681 -10.088 -3.533 1.00 0.66 H ATOM 1410 N GLN A 37 -4.776 -6.528 0.636 1.00 0.42 N ATOM 1411 CA GLN A 37 -5.595 -5.433 1.251 1.00 0.46 C ATOM 1412 C GLN A 37 -4.662 -4.418 1.925 1.00 0.41 C ATOM 1413 O GLN A 37 -3.738 -4.781 2.621 1.00 0.49 O ATOM 1414 CB GLN A 37 -6.543 -6.046 2.292 1.00 0.52 C ATOM 1415 CG GLN A 37 -7.514 -4.964 2.847 1.00 0.63 C ATOM 1416 CD GLN A 37 -8.962 -5.464 2.778 1.00 1.07 C ATOM 1417 OE1 GLN A 37 -9.651 -5.513 3.777 1.00 1.79 O ATOM 1418 NE2 GLN A 37 -9.451 -5.837 1.629 1.00 1.83 N ATOM 1419 H GLN A 37 -4.113 -7.001 1.182 1.00 0.44 H ATOM 1420 HA GLN A 37 -6.176 -4.929 0.490 1.00 0.53 H ATOM 1421 HB2 GLN A 37 -7.102 -6.850 1.824 1.00 0.60 H ATOM 1422 HB3 GLN A 37 -5.957 -6.456 3.101 1.00 0.48 H ATOM 1423 HG2 GLN A 37 -7.266 -4.746 3.876 1.00 1.22 H ATOM 1424 HG3 GLN A 37 -7.431 -4.054 2.266 1.00 1.16 H ATOM 1425 HE21 GLN A 37 -8.893 -5.794 0.823 1.00 2.18 H ATOM 1426 HE22 GLN A 37 -10.373 -6.160 1.569 1.00 2.44 H ATOM 1427 N PHE A 38 -4.886 -3.145 1.702 1.00 0.38 N ATOM 1428 CA PHE A 38 -3.998 -2.093 2.301 1.00 0.36 C ATOM 1429 C PHE A 38 -4.619 -1.486 3.572 1.00 0.35 C ATOM 1430 O PHE A 38 -5.765 -1.081 3.588 1.00 0.40 O ATOM 1431 CB PHE A 38 -3.806 -0.960 1.266 1.00 0.42 C ATOM 1432 CG PHE A 38 -2.591 -1.214 0.396 1.00 0.46 C ATOM 1433 CD1 PHE A 38 -2.616 -2.227 -0.565 1.00 0.54 C ATOM 1434 CD2 PHE A 38 -1.447 -0.418 0.541 1.00 0.60 C ATOM 1435 CE1 PHE A 38 -1.501 -2.443 -1.377 1.00 0.59 C ATOM 1436 CE2 PHE A 38 -0.330 -0.639 -0.270 1.00 0.67 C ATOM 1437 CZ PHE A 38 -0.358 -1.651 -1.231 1.00 0.60 C ATOM 1438 H PHE A 38 -5.626 -2.879 1.119 1.00 0.46 H ATOM 1439 HA PHE A 38 -3.037 -2.522 2.547 1.00 0.35 H ATOM 1440 HB2 PHE A 38 -4.681 -0.908 0.636 1.00 0.47 H ATOM 1441 HB3 PHE A 38 -3.683 -0.011 1.774 1.00 0.45 H ATOM 1442 HD1 PHE A 38 -3.493 -2.845 -0.680 1.00 0.67 H ATOM 1443 HD2 PHE A 38 -1.425 0.362 1.284 1.00 0.74 H ATOM 1444 HE1 PHE A 38 -1.524 -3.217 -2.117 1.00 0.73 H ATOM 1445 HE2 PHE A 38 0.551 -0.026 -0.156 1.00 0.86 H ATOM 1446 HZ PHE A 38 0.502 -1.822 -1.862 1.00 0.67 H ATOM 1447 N VAL A 39 -3.830 -1.364 4.613 1.00 0.33 N ATOM 1448 CA VAL A 39 -4.305 -0.716 5.879 1.00 0.33 C ATOM 1449 C VAL A 39 -3.262 0.349 6.243 1.00 0.32 C ATOM 1450 O VAL A 39 -2.102 0.043 6.439 1.00 0.35 O ATOM 1451 CB VAL A 39 -4.412 -1.749 7.004 1.00 0.34 C ATOM 1452 CG1 VAL A 39 -4.891 -1.066 8.289 1.00 0.36 C ATOM 1453 CG2 VAL A 39 -5.410 -2.839 6.612 1.00 0.48 C ATOM 1454 H VAL A 39 -2.896 -1.666 4.548 1.00 0.33 H ATOM 1455 HA VAL A 39 -5.265 -0.241 5.720 1.00 0.36 H ATOM 1456 HB VAL A 39 -3.446 -2.190 7.172 1.00 0.40 H ATOM 1457 HG11 VAL A 39 -5.823 -0.555 8.098 1.00 1.02 H ATOM 1458 HG12 VAL A 39 -5.041 -1.810 9.059 1.00 1.10 H ATOM 1459 HG13 VAL A 39 -4.149 -0.354 8.617 1.00 1.02 H ATOM 1460 HG21 VAL A 39 -5.183 -3.197 5.618 1.00 1.06 H ATOM 1461 HG22 VAL A 39 -5.338 -3.656 7.314 1.00 1.00 H ATOM 1462 HG23 VAL A 39 -6.411 -2.434 6.630 1.00 1.05 H ATOM 1463 N TYR A 40 -3.649 1.603 6.287 1.00 0.36 N ATOM 1464 CA TYR A 40 -2.659 2.695 6.583 1.00 0.37 C ATOM 1465 C TYR A 40 -2.796 3.197 8.019 1.00 0.35 C ATOM 1466 O TYR A 40 -3.811 3.022 8.664 1.00 0.40 O ATOM 1467 CB TYR A 40 -2.922 3.873 5.638 1.00 0.47 C ATOM 1468 CG TYR A 40 -2.440 3.535 4.253 1.00 0.50 C ATOM 1469 CD1 TYR A 40 -1.104 3.756 3.907 1.00 0.60 C ATOM 1470 CD2 TYR A 40 -3.330 3.006 3.313 1.00 0.53 C ATOM 1471 CE1 TYR A 40 -0.656 3.448 2.620 1.00 0.67 C ATOM 1472 CE2 TYR A 40 -2.883 2.698 2.024 1.00 0.58 C ATOM 1473 CZ TYR A 40 -1.545 2.920 1.677 1.00 0.63 C ATOM 1474 OH TYR A 40 -1.103 2.617 0.406 1.00 0.72 O ATOM 1475 H TYR A 40 -4.581 1.831 6.090 1.00 0.41 H ATOM 1476 HA TYR A 40 -1.652 2.336 6.425 1.00 0.37 H ATOM 1477 HB2 TYR A 40 -3.982 4.079 5.608 1.00 0.51 H ATOM 1478 HB3 TYR A 40 -2.397 4.748 5.994 1.00 0.51 H ATOM 1479 HD1 TYR A 40 -0.418 4.164 4.635 1.00 0.67 H ATOM 1480 HD2 TYR A 40 -4.362 2.836 3.582 1.00 0.59 H ATOM 1481 HE1 TYR A 40 0.375 3.618 2.354 1.00 0.80 H ATOM 1482 HE2 TYR A 40 -3.568 2.289 1.299 1.00 0.65 H ATOM 1483 HH TYR A 40 -1.341 3.346 -0.172 1.00 0.69 H ATOM 1484 N SER A 41 -1.765 3.836 8.510 1.00 0.35 N ATOM 1485 CA SER A 41 -1.798 4.379 9.898 1.00 0.37 C ATOM 1486 C SER A 41 -0.473 5.094 10.190 1.00 0.39 C ATOM 1487 O SER A 41 0.469 4.993 9.431 1.00 0.60 O ATOM 1488 CB SER A 41 -1.981 3.231 10.877 1.00 0.36 C ATOM 1489 OG SER A 41 -1.647 3.670 12.186 1.00 0.92 O ATOM 1490 H SER A 41 -0.962 3.961 7.956 1.00 0.38 H ATOM 1491 HA SER A 41 -2.617 5.076 9.996 1.00 0.40 H ATOM 1492 HB2 SER A 41 -3.006 2.899 10.863 1.00 0.81 H ATOM 1493 HB3 SER A 41 -1.338 2.420 10.582 1.00 0.83 H ATOM 1494 HG SER A 41 -2.193 4.433 12.391 1.00 1.11 H ATOM 1495 N TRP A 42 -0.394 5.814 11.286 1.00 0.35 N ATOM 1496 CA TRP A 42 0.868 6.544 11.637 1.00 0.37 C ATOM 1497 C TRP A 42 1.401 6.015 12.972 1.00 0.37 C ATOM 1498 O TRP A 42 2.593 5.944 13.196 1.00 0.40 O ATOM 1499 CB TRP A 42 0.549 8.036 11.786 1.00 0.40 C ATOM 1500 CG TRP A 42 0.413 8.674 10.441 1.00 0.41 C ATOM 1501 CD1 TRP A 42 -0.759 9.039 9.873 1.00 0.45 C ATOM 1502 CD2 TRP A 42 1.460 9.036 9.493 1.00 0.43 C ATOM 1503 NE1 TRP A 42 -0.499 9.604 8.638 1.00 0.48 N ATOM 1504 CE2 TRP A 42 0.853 9.625 8.358 1.00 0.46 C ATOM 1505 CE3 TRP A 42 2.862 8.913 9.505 1.00 0.44 C ATOM 1506 CZ2 TRP A 42 1.609 10.076 7.277 1.00 0.49 C ATOM 1507 CZ3 TRP A 42 3.626 9.366 8.416 1.00 0.48 C ATOM 1508 CH2 TRP A 42 3.000 9.947 7.305 1.00 0.50 C ATOM 1509 H TRP A 42 -1.169 5.879 11.885 1.00 0.47 H ATOM 1510 HA TRP A 42 1.616 6.407 10.867 1.00 0.38 H ATOM 1511 HB2 TRP A 42 -0.380 8.147 12.324 1.00 0.40 H ATOM 1512 HB3 TRP A 42 1.343 8.524 12.334 1.00 0.41 H ATOM 1513 HD1 TRP A 42 -1.738 8.911 10.314 1.00 0.48 H ATOM 1514 HE1 TRP A 42 -1.177 9.953 8.021 1.00 0.52 H ATOM 1515 HE3 TRP A 42 3.353 8.466 10.357 1.00 0.44 H ATOM 1516 HZ2 TRP A 42 1.122 10.524 6.425 1.00 0.53 H ATOM 1517 HZ3 TRP A 42 4.703 9.265 8.434 1.00 0.52 H ATOM 1518 HH2 TRP A 42 3.592 10.294 6.470 1.00 0.54 H ATOM 1519 N LYS A 43 0.518 5.662 13.868 1.00 0.36 N ATOM 1520 CA LYS A 43 0.948 5.155 15.205 1.00 0.38 C ATOM 1521 C LYS A 43 1.010 3.626 15.183 1.00 0.37 C ATOM 1522 O LYS A 43 0.050 2.967 14.836 1.00 0.40 O ATOM 1523 CB LYS A 43 -0.074 5.597 16.265 1.00 0.42 C ATOM 1524 CG LYS A 43 -0.293 7.120 16.199 1.00 0.43 C ATOM 1525 CD LYS A 43 -1.661 7.496 16.805 1.00 0.51 C ATOM 1526 CE LYS A 43 -1.899 6.756 18.125 1.00 1.07 C ATOM 1527 NZ LYS A 43 -2.873 7.528 18.947 1.00 2.03 N ATOM 1528 H LYS A 43 -0.438 5.743 13.665 1.00 0.37 H ATOM 1529 HA LYS A 43 1.921 5.554 15.457 1.00 0.41 H ATOM 1530 HB2 LYS A 43 -1.010 5.092 16.084 1.00 0.45 H ATOM 1531 HB3 LYS A 43 0.293 5.329 17.244 1.00 0.46 H ATOM 1532 HG2 LYS A 43 0.490 7.618 16.751 1.00 0.53 H ATOM 1533 HG3 LYS A 43 -0.267 7.447 15.168 1.00 0.49 H ATOM 1534 HD2 LYS A 43 -1.688 8.556 16.994 1.00 1.19 H ATOM 1535 HD3 LYS A 43 -2.442 7.239 16.106 1.00 1.11 H ATOM 1536 HE2 LYS A 43 -2.299 5.774 17.921 1.00 1.75 H ATOM 1537 HE3 LYS A 43 -0.969 6.665 18.665 1.00 1.42 H ATOM 1538 HZ1 LYS A 43 -3.163 8.382 18.428 1.00 2.56 H ATOM 1539 HZ2 LYS A 43 -3.708 6.939 19.140 1.00 2.49 H ATOM 1540 HZ3 LYS A 43 -2.429 7.801 19.846 1.00 2.50 H ATOM 1541 N LEU A 44 2.119 3.050 15.567 1.00 0.41 N ATOM 1542 CA LEU A 44 2.204 1.562 15.578 1.00 0.42 C ATOM 1543 C LEU A 44 1.358 1.052 16.740 1.00 0.44 C ATOM 1544 O LEU A 44 0.721 0.024 16.654 1.00 0.47 O ATOM 1545 CB LEU A 44 3.663 1.116 15.754 1.00 0.50 C ATOM 1546 CG LEU A 44 3.746 -0.420 15.823 1.00 0.51 C ATOM 1547 CD1 LEU A 44 3.153 -1.048 14.551 1.00 0.53 C ATOM 1548 CD2 LEU A 44 5.213 -0.839 15.965 1.00 0.69 C ATOM 1549 H LEU A 44 2.882 3.591 15.859 1.00 0.47 H ATOM 1550 HA LEU A 44 1.812 1.177 14.651 1.00 0.40 H ATOM 1551 HB2 LEU A 44 4.246 1.469 14.915 1.00 0.52 H ATOM 1552 HB3 LEU A 44 4.057 1.536 16.667 1.00 0.56 H ATOM 1553 HG LEU A 44 3.192 -0.771 16.681 1.00 0.62 H ATOM 1554 HD11 LEU A 44 3.389 -0.431 13.696 1.00 1.13 H ATOM 1555 HD12 LEU A 44 3.567 -2.036 14.404 1.00 1.12 H ATOM 1556 HD13 LEU A 44 2.081 -1.124 14.656 1.00 1.23 H ATOM 1557 HD21 LEU A 44 5.796 -0.385 15.177 1.00 1.29 H ATOM 1558 HD22 LEU A 44 5.588 -0.515 16.926 1.00 1.10 H ATOM 1559 HD23 LEU A 44 5.287 -1.915 15.893 1.00 1.27 H ATOM 1560 N VAL A 45 1.328 1.789 17.820 1.00 0.46 N ATOM 1561 CA VAL A 45 0.506 1.389 19.002 1.00 0.48 C ATOM 1562 C VAL A 45 -0.214 2.634 19.505 1.00 0.49 C ATOM 1563 O VAL A 45 0.224 3.746 19.286 1.00 0.50 O ATOM 1564 CB VAL A 45 1.402 0.801 20.107 1.00 0.55 C ATOM 1565 CG1 VAL A 45 2.412 -0.173 19.490 1.00 0.60 C ATOM 1566 CG2 VAL A 45 2.151 1.929 20.833 1.00 0.61 C ATOM 1567 H VAL A 45 1.838 2.628 17.848 1.00 0.49 H ATOM 1568 HA VAL A 45 -0.238 0.657 18.710 1.00 0.48 H ATOM 1569 HB VAL A 45 0.785 0.263 20.813 1.00 0.56 H ATOM 1570 HG11 VAL A 45 2.982 0.333 18.726 1.00 1.06 H ATOM 1571 HG12 VAL A 45 3.081 -0.530 20.259 1.00 1.23 H ATOM 1572 HG13 VAL A 45 1.886 -1.013 19.054 1.00 1.25 H ATOM 1573 HG21 VAL A 45 2.561 2.614 20.106 1.00 1.10 H ATOM 1574 HG22 VAL A 45 1.463 2.461 21.478 1.00 1.30 H ATOM 1575 HG23 VAL A 45 2.950 1.510 21.426 1.00 1.16 H ATOM 1576 N ALA A 46 -1.328 2.465 20.144 1.00 0.51 N ATOM 1577 CA ALA A 46 -2.083 3.649 20.614 1.00 0.54 C ATOM 1578 C ALA A 46 -1.325 4.338 21.748 1.00 0.58 C ATOM 1579 O ALA A 46 -1.774 4.398 22.875 1.00 0.64 O ATOM 1580 CB ALA A 46 -3.475 3.206 21.065 1.00 0.59 C ATOM 1581 H ALA A 46 -1.683 1.564 20.289 1.00 0.53 H ATOM 1582 HA ALA A 46 -2.177 4.344 19.797 1.00 0.53 H ATOM 1583 HB1 ALA A 46 -3.401 2.244 21.552 1.00 1.23 H ATOM 1584 HB2 ALA A 46 -3.887 3.932 21.751 1.00 0.94 H ATOM 1585 HB3 ALA A 46 -4.122 3.120 20.196 1.00 1.19 H ATOM 1586 N THR A 47 -0.178 4.877 21.435 1.00 0.57 N ATOM 1587 CA THR A 47 0.633 5.593 22.458 1.00 0.63 C ATOM 1588 C THR A 47 1.474 6.663 21.758 1.00 0.64 C ATOM 1589 O THR A 47 1.765 7.704 22.311 1.00 0.71 O ATOM 1590 CB THR A 47 1.552 4.604 23.177 1.00 0.68 C ATOM 1591 OG1 THR A 47 0.815 3.437 23.514 1.00 1.01 O ATOM 1592 CG2 THR A 47 2.096 5.250 24.449 1.00 1.34 C ATOM 1593 H THR A 47 0.145 4.822 20.513 1.00 0.53 H ATOM 1594 HA THR A 47 -0.023 6.062 23.174 1.00 0.67 H ATOM 1595 HB THR A 47 2.375 4.339 22.532 1.00 1.15 H ATOM 1596 HG1 THR A 47 1.367 2.890 24.078 1.00 1.43 H ATOM 1597 HG21 THR A 47 2.617 6.161 24.195 1.00 1.96 H ATOM 1598 HG22 THR A 47 1.277 5.478 25.114 1.00 1.89 H ATOM 1599 HG23 THR A 47 2.777 4.569 24.937 1.00 1.64 H ATOM 1600 N ASP A 48 1.864 6.405 20.539 1.00 0.59 N ATOM 1601 CA ASP A 48 2.687 7.384 19.778 1.00 0.62 C ATOM 1602 C ASP A 48 1.852 8.631 19.453 1.00 0.63 C ATOM 1603 O ASP A 48 0.807 8.858 20.031 1.00 0.67 O ATOM 1604 CB ASP A 48 3.154 6.717 18.479 1.00 0.57 C ATOM 1605 CG ASP A 48 4.343 5.798 18.771 1.00 0.70 C ATOM 1606 OD1 ASP A 48 4.240 5.003 19.690 1.00 1.43 O ATOM 1607 OD2 ASP A 48 5.337 5.908 18.072 1.00 1.20 O ATOM 1608 H ASP A 48 1.616 5.557 20.118 1.00 0.55 H ATOM 1609 HA ASP A 48 3.545 7.670 20.368 1.00 0.69 H ATOM 1610 HB2 ASP A 48 2.344 6.134 18.066 1.00 0.53 H ATOM 1611 HB3 ASP A 48 3.451 7.468 17.768 1.00 0.59 H ATOM 1612 N ARG A 49 2.313 9.440 18.527 1.00 0.63 N ATOM 1613 CA ARG A 49 1.568 10.682 18.139 1.00 0.68 C ATOM 1614 C ARG A 49 1.434 10.724 16.612 1.00 0.58 C ATOM 1615 O ARG A 49 1.564 9.716 15.949 1.00 0.58 O ATOM 1616 CB ARG A 49 2.353 11.909 18.611 1.00 0.85 C ATOM 1617 CG ARG A 49 2.270 12.024 20.140 1.00 0.99 C ATOM 1618 CD ARG A 49 0.847 12.414 20.583 1.00 1.36 C ATOM 1619 NE ARG A 49 0.932 13.230 21.828 1.00 1.88 N ATOM 1620 CZ ARG A 49 -0.105 13.908 22.239 1.00 2.40 C ATOM 1621 NH1 ARG A 49 -1.226 13.854 21.572 1.00 2.80 N ATOM 1622 NH2 ARG A 49 -0.021 14.639 23.316 1.00 3.01 N ATOM 1623 H ARG A 49 3.159 9.227 18.080 1.00 0.65 H ATOM 1624 HA ARG A 49 0.585 10.686 18.589 1.00 0.71 H ATOM 1625 HB2 ARG A 49 3.386 11.804 18.317 1.00 0.87 H ATOM 1626 HB3 ARG A 49 1.943 12.798 18.159 1.00 0.90 H ATOM 1627 HG2 ARG A 49 2.536 11.074 20.582 1.00 0.91 H ATOM 1628 HG3 ARG A 49 2.965 12.779 20.476 1.00 1.17 H ATOM 1629 HD2 ARG A 49 0.361 12.995 19.813 1.00 1.61 H ATOM 1630 HD3 ARG A 49 0.269 11.522 20.777 1.00 1.60 H ATOM 1631 HE ARG A 49 1.771 13.265 22.334 1.00 2.26 H ATOM 1632 HH11 ARG A 49 -1.291 13.292 20.747 1.00 2.68 H ATOM 1633 HH12 ARG A 49 -2.020 14.374 21.887 1.00 3.48 H ATOM 1634 HH21 ARG A 49 0.837 14.679 23.828 1.00 3.21 H ATOM 1635 HH22 ARG A 49 -0.815 15.160 23.630 1.00 3.52 H ATOM 1636 N VAL A 50 1.183 11.879 16.044 1.00 0.76 N ATOM 1637 CA VAL A 50 1.047 11.972 14.555 1.00 0.69 C ATOM 1638 C VAL A 50 1.330 13.420 14.106 1.00 0.69 C ATOM 1639 O VAL A 50 0.687 14.340 14.571 1.00 0.70 O ATOM 1640 CB VAL A 50 -0.384 11.601 14.129 1.00 0.67 C ATOM 1641 CG1 VAL A 50 -0.650 10.128 14.431 1.00 0.76 C ATOM 1642 CG2 VAL A 50 -1.403 12.475 14.879 1.00 0.71 C ATOM 1643 H VAL A 50 1.085 12.685 16.593 1.00 1.02 H ATOM 1644 HA VAL A 50 1.738 11.288 14.097 1.00 0.74 H ATOM 1645 HB VAL A 50 -0.488 11.765 13.065 1.00 0.64 H ATOM 1646 HG11 VAL A 50 0.184 9.535 14.092 1.00 1.25 H ATOM 1647 HG12 VAL A 50 -0.775 9.999 15.491 1.00 1.40 H ATOM 1648 HG13 VAL A 50 -1.548 9.812 13.921 1.00 1.17 H ATOM 1649 HG21 VAL A 50 -1.094 12.595 15.906 1.00 1.12 H ATOM 1650 HG22 VAL A 50 -1.462 13.443 14.405 1.00 1.11 H ATOM 1651 HG23 VAL A 50 -2.376 12.004 14.850 1.00 1.42 H ATOM 1652 N PRO A 51 2.271 13.642 13.207 1.00 0.75 N ATOM 1653 CA PRO A 51 2.585 15.016 12.722 1.00 0.83 C ATOM 1654 C PRO A 51 1.326 15.842 12.453 1.00 0.81 C ATOM 1655 O PRO A 51 0.398 15.394 11.810 1.00 0.82 O ATOM 1656 CB PRO A 51 3.363 14.772 11.427 1.00 0.90 C ATOM 1657 CG PRO A 51 4.050 13.460 11.635 1.00 0.95 C ATOM 1658 CD PRO A 51 3.140 12.636 12.559 1.00 0.83 C ATOM 1659 HA PRO A 51 3.212 15.529 13.427 1.00 0.91 H ATOM 1660 HB2 PRO A 51 2.683 14.715 10.586 1.00 0.86 H ATOM 1661 HB3 PRO A 51 4.091 15.555 11.269 1.00 1.02 H ATOM 1662 HG2 PRO A 51 4.184 12.955 10.685 1.00 1.00 H ATOM 1663 HG3 PRO A 51 5.009 13.613 12.110 1.00 1.06 H ATOM 1664 HD2 PRO A 51 2.548 11.936 11.983 1.00 0.80 H ATOM 1665 HD3 PRO A 51 3.727 12.116 13.302 1.00 0.90 H ATOM 1666 N ALA A 52 1.299 17.046 12.939 1.00 0.90 N ATOM 1667 CA ALA A 52 0.117 17.917 12.717 1.00 0.98 C ATOM 1668 C ALA A 52 -0.231 17.934 11.225 1.00 1.05 C ATOM 1669 O ALA A 52 0.634 17.844 10.376 1.00 1.61 O ATOM 1670 CB ALA A 52 0.458 19.328 13.189 1.00 1.16 C ATOM 1671 H ALA A 52 2.063 17.383 13.450 1.00 0.95 H ATOM 1672 HA ALA A 52 -0.723 17.540 13.281 1.00 0.94 H ATOM 1673 HB1 ALA A 52 1.462 19.575 12.873 1.00 1.56 H ATOM 1674 HB2 ALA A 52 -0.240 20.034 12.763 1.00 1.56 H ATOM 1675 HB3 ALA A 52 0.401 19.368 14.266 1.00 1.58 H ATOM 1676 N GLY A 53 -1.493 18.043 10.899 1.00 0.94 N ATOM 1677 CA GLY A 53 -1.907 18.061 9.461 1.00 0.97 C ATOM 1678 C GLY A 53 -2.358 16.657 9.049 1.00 0.85 C ATOM 1679 O GLY A 53 -3.058 16.478 8.073 1.00 0.88 O ATOM 1680 H GLY A 53 -2.172 18.111 11.602 1.00 1.24 H ATOM 1681 HA2 GLY A 53 -2.727 18.754 9.334 1.00 1.06 H ATOM 1682 HA3 GLY A 53 -1.078 18.367 8.839 1.00 1.02 H ATOM 1683 N LYS A 54 -1.961 15.661 9.792 1.00 0.76 N ATOM 1684 CA LYS A 54 -2.358 14.263 9.463 1.00 0.67 C ATOM 1685 C LYS A 54 -3.707 13.952 10.122 1.00 0.63 C ATOM 1686 O LYS A 54 -4.065 14.533 11.127 1.00 0.66 O ATOM 1687 CB LYS A 54 -1.286 13.308 10.008 1.00 0.66 C ATOM 1688 CG LYS A 54 -0.079 13.238 9.059 1.00 0.88 C ATOM 1689 CD LYS A 54 0.351 14.640 8.601 1.00 0.80 C ATOM 1690 CE LYS A 54 1.669 14.535 7.829 1.00 0.81 C ATOM 1691 NZ LYS A 54 2.204 15.902 7.572 1.00 1.71 N ATOM 1692 H LYS A 54 -1.397 15.831 10.575 1.00 0.77 H ATOM 1693 HA LYS A 54 -2.446 14.141 8.393 1.00 0.72 H ATOM 1694 HB2 LYS A 54 -0.958 13.659 10.975 1.00 0.70 H ATOM 1695 HB3 LYS A 54 -1.708 12.320 10.115 1.00 0.61 H ATOM 1696 HG2 LYS A 54 0.748 12.773 9.579 1.00 1.42 H ATOM 1697 HG3 LYS A 54 -0.338 12.644 8.196 1.00 1.53 H ATOM 1698 HD2 LYS A 54 -0.403 15.063 7.953 1.00 1.41 H ATOM 1699 HD3 LYS A 54 0.489 15.277 9.461 1.00 1.29 H ATOM 1700 HE2 LYS A 54 2.384 13.971 8.407 1.00 1.03 H ATOM 1701 HE3 LYS A 54 1.495 14.035 6.888 1.00 1.07 H ATOM 1702 HZ1 LYS A 54 1.424 16.536 7.307 1.00 2.19 H ATOM 1703 HZ2 LYS A 54 2.666 16.261 8.433 1.00 2.17 H ATOM 1704 HZ3 LYS A 54 2.896 15.864 6.797 1.00 2.22 H ATOM 1705 N ARG A 55 -4.457 13.040 9.562 1.00 0.60 N ATOM 1706 CA ARG A 55 -5.779 12.693 10.156 1.00 0.60 C ATOM 1707 C ARG A 55 -5.573 11.724 11.321 1.00 0.58 C ATOM 1708 O ARG A 55 -4.945 10.694 11.182 1.00 0.71 O ATOM 1709 CB ARG A 55 -6.660 12.030 9.090 1.00 0.65 C ATOM 1710 CG ARG A 55 -6.685 12.894 7.799 1.00 0.89 C ATOM 1711 CD ARG A 55 -8.119 13.030 7.276 1.00 0.84 C ATOM 1712 NE ARG A 55 -8.693 11.676 7.033 1.00 1.73 N ATOM 1713 CZ ARG A 55 -9.978 11.534 6.858 1.00 2.45 C ATOM 1714 NH1 ARG A 55 -10.760 12.579 6.883 1.00 2.53 N ATOM 1715 NH2 ARG A 55 -10.482 10.348 6.654 1.00 3.40 N ATOM 1716 H ARG A 55 -4.151 12.585 8.751 1.00 0.61 H ATOM 1717 HA ARG A 55 -6.263 13.591 10.511 1.00 0.65 H ATOM 1718 HB2 ARG A 55 -6.262 11.049 8.864 1.00 0.87 H ATOM 1719 HB3 ARG A 55 -7.662 11.924 9.481 1.00 0.93 H ATOM 1720 HG2 ARG A 55 -6.294 13.882 8.005 1.00 1.34 H ATOM 1721 HG3 ARG A 55 -6.075 12.425 7.039 1.00 1.52 H ATOM 1722 HD2 ARG A 55 -8.718 13.547 8.009 1.00 1.11 H ATOM 1723 HD3 ARG A 55 -8.114 13.593 6.354 1.00 1.16 H ATOM 1724 HE ARG A 55 -8.105 10.892 7.009 1.00 2.10 H ATOM 1725 HH11 ARG A 55 -10.374 13.488 7.036 1.00 2.09 H ATOM 1726 HH12 ARG A 55 -11.745 12.470 6.749 1.00 3.26 H ATOM 1727 HH21 ARG A 55 -9.883 9.547 6.632 1.00 3.62 H ATOM 1728 HH22 ARG A 55 -11.467 10.239 6.521 1.00 4.02 H ATOM 1729 N ASP A 56 -6.096 12.049 12.472 1.00 0.61 N ATOM 1730 CA ASP A 56 -5.928 11.150 13.647 1.00 0.62 C ATOM 1731 C ASP A 56 -6.456 9.755 13.307 1.00 0.59 C ATOM 1732 O ASP A 56 -7.289 9.588 12.439 1.00 0.61 O ATOM 1733 CB ASP A 56 -6.706 11.720 14.836 1.00 0.73 C ATOM 1734 CG ASP A 56 -8.075 12.207 14.363 1.00 1.61 C ATOM 1735 OD1 ASP A 56 -8.621 11.595 13.460 1.00 2.40 O ATOM 1736 OD2 ASP A 56 -8.553 13.186 14.911 1.00 2.29 O ATOM 1737 H ASP A 56 -6.597 12.886 12.563 1.00 0.76 H ATOM 1738 HA ASP A 56 -4.881 11.082 13.902 1.00 0.62 H ATOM 1739 HB2 ASP A 56 -6.835 10.953 15.586 1.00 1.19 H ATOM 1740 HB3 ASP A 56 -6.158 12.549 15.258 1.00 1.32 H ATOM 1741 N ALA A 57 -5.974 8.751 13.985 1.00 0.58 N ATOM 1742 CA ALA A 57 -6.444 7.368 13.703 1.00 0.58 C ATOM 1743 C ALA A 57 -5.948 6.443 14.809 1.00 0.60 C ATOM 1744 O ALA A 57 -4.987 6.744 15.489 1.00 0.84 O ATOM 1745 CB ALA A 57 -5.865 6.896 12.365 1.00 0.56 C ATOM 1746 H ALA A 57 -5.299 8.906 14.683 1.00 0.61 H ATOM 1747 HA ALA A 57 -7.522 7.347 13.663 1.00 0.62 H ATOM 1748 HB1 ALA A 57 -4.795 7.054 12.360 1.00 1.18 H ATOM 1749 HB2 ALA A 57 -6.072 5.843 12.231 1.00 1.16 H ATOM 1750 HB3 ALA A 57 -6.315 7.458 11.560 1.00 1.09 H ATOM 1751 N ILE A 58 -6.567 5.310 14.987 1.00 0.52 N ATOM 1752 CA ILE A 58 -6.080 4.386 16.036 1.00 0.53 C ATOM 1753 C ILE A 58 -4.759 3.815 15.556 1.00 0.59 C ATOM 1754 O ILE A 58 -4.363 4.016 14.424 1.00 1.01 O ATOM 1755 CB ILE A 58 -7.080 3.245 16.253 1.00 0.53 C ATOM 1756 CG1 ILE A 58 -7.186 2.384 14.976 1.00 0.56 C ATOM 1757 CG2 ILE A 58 -8.453 3.824 16.593 1.00 0.53 C ATOM 1758 CD1 ILE A 58 -8.296 1.320 15.110 1.00 0.58 C ATOM 1759 H ILE A 58 -7.329 5.062 14.426 1.00 0.59 H ATOM 1760 HA ILE A 58 -5.930 4.924 16.963 1.00 0.53 H ATOM 1761 HB ILE A 58 -6.741 2.634 17.074 1.00 0.53 H ATOM 1762 HG12 ILE A 58 -7.411 3.024 14.136 1.00 0.57 H ATOM 1763 HG13 ILE A 58 -6.244 1.886 14.796 1.00 0.58 H ATOM 1764 HG21 ILE A 58 -8.339 4.627 17.308 1.00 0.97 H ATOM 1765 HG22 ILE A 58 -8.916 4.202 15.691 1.00 1.11 H ATOM 1766 HG23 ILE A 58 -9.071 3.043 17.019 1.00 1.18 H ATOM 1767 HD11 ILE A 58 -8.738 1.344 16.096 1.00 1.14 H ATOM 1768 HD12 ILE A 58 -9.060 1.509 14.370 1.00 1.12 H ATOM 1769 HD13 ILE A 58 -7.872 0.342 14.939 1.00 1.18 H ATOM 1770 N SER A 59 -4.074 3.101 16.388 1.00 0.42 N ATOM 1771 CA SER A 59 -2.784 2.519 15.957 1.00 0.41 C ATOM 1772 C SER A 59 -3.061 1.310 15.071 1.00 0.39 C ATOM 1773 O SER A 59 -3.990 0.562 15.301 1.00 0.43 O ATOM 1774 CB SER A 59 -1.999 2.110 17.193 1.00 0.44 C ATOM 1775 OG SER A 59 -2.279 0.753 17.505 1.00 1.16 O ATOM 1776 H SER A 59 -4.410 2.943 17.295 1.00 0.62 H ATOM 1777 HA SER A 59 -2.226 3.253 15.395 1.00 0.43 H ATOM 1778 HB2 SER A 59 -0.944 2.226 17.014 1.00 0.81 H ATOM 1779 HB3 SER A 59 -2.299 2.746 18.012 1.00 0.93 H ATOM 1780 HG SER A 59 -3.114 0.520 17.094 1.00 1.65 H ATOM 1781 N LEU A 60 -2.276 1.127 14.048 1.00 0.41 N ATOM 1782 CA LEU A 60 -2.501 -0.021 13.126 1.00 0.42 C ATOM 1783 C LEU A 60 -2.762 -1.290 13.942 1.00 0.43 C ATOM 1784 O LEU A 60 -3.508 -2.161 13.538 1.00 0.52 O ATOM 1785 CB LEU A 60 -1.247 -0.214 12.256 1.00 0.49 C ATOM 1786 CG LEU A 60 -1.580 -0.984 10.947 1.00 0.75 C ATOM 1787 CD1 LEU A 60 -0.707 -0.465 9.790 1.00 1.06 C ATOM 1788 CD2 LEU A 60 -1.320 -2.480 11.149 1.00 1.49 C ATOM 1789 H LEU A 60 -1.546 1.756 13.875 1.00 0.48 H ATOM 1790 HA LEU A 60 -3.355 0.200 12.505 1.00 0.42 H ATOM 1791 HB2 LEU A 60 -0.844 0.755 12.017 1.00 0.48 H ATOM 1792 HB3 LEU A 60 -0.503 -0.763 12.819 1.00 0.86 H ATOM 1793 HG LEU A 60 -2.617 -0.846 10.684 1.00 1.65 H ATOM 1794 HD11 LEU A 60 0.281 -0.233 10.159 1.00 1.51 H ATOM 1795 HD12 LEU A 60 -0.636 -1.216 9.017 1.00 1.66 H ATOM 1796 HD13 LEU A 60 -1.153 0.429 9.379 1.00 1.71 H ATOM 1797 HD21 LEU A 60 -1.737 -2.790 12.095 1.00 2.00 H ATOM 1798 HD22 LEU A 60 -1.789 -3.033 10.351 1.00 2.03 H ATOM 1799 HD23 LEU A 60 -0.256 -2.669 11.143 1.00 2.04 H ATOM 1800 N ARG A 61 -2.145 -1.395 15.086 1.00 0.42 N ATOM 1801 CA ARG A 61 -2.343 -2.598 15.938 1.00 0.44 C ATOM 1802 C ARG A 61 -3.815 -2.701 16.337 1.00 0.45 C ATOM 1803 O ARG A 61 -4.340 -3.779 16.531 1.00 0.47 O ATOM 1804 CB ARG A 61 -1.468 -2.472 17.190 1.00 0.46 C ATOM 1805 CG ARG A 61 0.011 -2.762 16.834 1.00 0.72 C ATOM 1806 CD ARG A 61 0.339 -4.232 17.104 1.00 0.81 C ATOM 1807 NE ARG A 61 1.569 -4.628 16.355 1.00 0.57 N ATOM 1808 CZ ARG A 61 2.192 -5.728 16.676 1.00 1.27 C ATOM 1809 NH1 ARG A 61 1.730 -6.483 17.634 1.00 2.14 N ATOM 1810 NH2 ARG A 61 3.274 -6.078 16.037 1.00 1.33 N ATOM 1811 H ARG A 61 -1.548 -0.678 15.386 1.00 0.45 H ATOM 1812 HA ARG A 61 -2.058 -3.482 15.387 1.00 0.45 H ATOM 1813 HB2 ARG A 61 -1.555 -1.468 17.580 1.00 0.42 H ATOM 1814 HB3 ARG A 61 -1.809 -3.174 17.939 1.00 0.51 H ATOM 1815 HG2 ARG A 61 0.192 -2.539 15.792 1.00 1.40 H ATOM 1816 HG3 ARG A 61 0.652 -2.145 17.444 1.00 1.56 H ATOM 1817 HD2 ARG A 61 0.510 -4.361 18.163 1.00 1.64 H ATOM 1818 HD3 ARG A 61 -0.491 -4.852 16.789 1.00 1.51 H ATOM 1819 HE ARG A 61 1.910 -4.063 15.628 1.00 0.58 H ATOM 1820 HH11 ARG A 61 0.898 -6.218 18.121 1.00 2.23 H ATOM 1821 HH12 ARG A 61 2.205 -7.327 17.879 1.00 2.78 H ATOM 1822 HH21 ARG A 61 3.629 -5.504 15.300 1.00 0.95 H ATOM 1823 HH22 ARG A 61 3.749 -6.923 16.285 1.00 1.97 H ATOM 1824 N GLU A 62 -4.494 -1.590 16.443 1.00 0.45 N ATOM 1825 CA GLU A 62 -5.932 -1.643 16.807 1.00 0.48 C ATOM 1826 C GLU A 62 -6.716 -2.086 15.571 1.00 0.49 C ATOM 1827 O GLU A 62 -7.687 -2.813 15.661 1.00 0.55 O ATOM 1828 CB GLU A 62 -6.393 -0.260 17.257 1.00 0.50 C ATOM 1829 CG GLU A 62 -5.890 0.014 18.675 1.00 0.52 C ATOM 1830 CD GLU A 62 -6.666 -0.856 19.663 1.00 1.24 C ATOM 1831 OE1 GLU A 62 -7.883 -0.775 19.661 1.00 1.90 O ATOM 1832 OE2 GLU A 62 -6.031 -1.589 20.402 1.00 1.97 O ATOM 1833 H GLU A 62 -4.064 -0.725 16.268 1.00 0.45 H ATOM 1834 HA GLU A 62 -6.081 -2.353 17.605 1.00 0.49 H ATOM 1835 HB2 GLU A 62 -5.996 0.482 16.587 1.00 0.49 H ATOM 1836 HB3 GLU A 62 -7.470 -0.221 17.246 1.00 0.56 H ATOM 1837 HG2 GLU A 62 -4.837 -0.222 18.736 1.00 0.97 H ATOM 1838 HG3 GLU A 62 -6.042 1.054 18.918 1.00 1.01 H ATOM 1839 N LYS A 63 -6.279 -1.669 14.411 1.00 0.47 N ATOM 1840 CA LYS A 63 -6.974 -2.079 13.160 1.00 0.49 C ATOM 1841 C LYS A 63 -6.750 -3.574 12.949 1.00 0.48 C ATOM 1842 O LYS A 63 -7.683 -4.337 12.807 1.00 0.57 O ATOM 1843 CB LYS A 63 -6.408 -1.292 11.973 1.00 0.50 C ATOM 1844 CG LYS A 63 -6.622 0.208 12.210 1.00 0.53 C ATOM 1845 CD LYS A 63 -6.505 0.968 10.887 1.00 0.63 C ATOM 1846 CE LYS A 63 -6.806 2.454 11.117 1.00 0.74 C ATOM 1847 NZ LYS A 63 -7.148 3.092 9.816 1.00 1.39 N ATOM 1848 H LYS A 63 -5.482 -1.100 14.364 1.00 0.46 H ATOM 1849 HA LYS A 63 -8.029 -1.884 13.250 1.00 0.53 H ATOM 1850 HB2 LYS A 63 -5.351 -1.496 11.876 1.00 0.52 H ATOM 1851 HB3 LYS A 63 -6.918 -1.590 11.068 1.00 0.56 H ATOM 1852 HG2 LYS A 63 -7.605 0.371 12.627 1.00 0.66 H ATOM 1853 HG3 LYS A 63 -5.874 0.572 12.897 1.00 0.71 H ATOM 1854 HD2 LYS A 63 -5.503 0.859 10.497 1.00 0.80 H ATOM 1855 HD3 LYS A 63 -7.212 0.567 10.177 1.00 0.80 H ATOM 1856 HE2 LYS A 63 -7.640 2.558 11.799 1.00 0.79 H ATOM 1857 HE3 LYS A 63 -5.936 2.937 11.537 1.00 1.07 H ATOM 1858 HZ1 LYS A 63 -6.784 2.507 9.037 1.00 1.94 H ATOM 1859 HZ2 LYS A 63 -8.182 3.176 9.733 1.00 1.93 H ATOM 1860 HZ3 LYS A 63 -6.717 4.036 9.768 1.00 1.70 H ATOM 1861 N ILE A 64 -5.514 -4.000 12.950 1.00 0.43 N ATOM 1862 CA ILE A 64 -5.222 -5.452 12.769 1.00 0.43 C ATOM 1863 C ILE A 64 -6.111 -6.252 13.732 1.00 0.48 C ATOM 1864 O ILE A 64 -6.677 -7.267 13.378 1.00 0.56 O ATOM 1865 CB ILE A 64 -3.723 -5.711 13.058 1.00 0.39 C ATOM 1866 CG1 ILE A 64 -2.916 -5.442 11.783 1.00 0.41 C ATOM 1867 CG2 ILE A 64 -3.491 -7.162 13.503 1.00 0.42 C ATOM 1868 CD1 ILE A 64 -1.417 -5.440 12.094 1.00 0.45 C ATOM 1869 H ILE A 64 -4.781 -3.366 13.083 1.00 0.44 H ATOM 1870 HA ILE A 64 -5.450 -5.733 11.753 1.00 0.45 H ATOM 1871 HB ILE A 64 -3.393 -5.041 13.838 1.00 0.40 H ATOM 1872 HG12 ILE A 64 -3.129 -6.211 11.056 1.00 0.46 H ATOM 1873 HG13 ILE A 64 -3.202 -4.486 11.385 1.00 0.50 H ATOM 1874 HG21 ILE A 64 -4.042 -7.828 12.856 1.00 1.13 H ATOM 1875 HG22 ILE A 64 -2.438 -7.395 13.448 1.00 1.13 H ATOM 1876 HG23 ILE A 64 -3.831 -7.282 14.522 1.00 1.02 H ATOM 1877 HD11 ILE A 64 -1.230 -4.856 12.983 1.00 1.15 H ATOM 1878 HD12 ILE A 64 -1.083 -6.455 12.256 1.00 0.97 H ATOM 1879 HD13 ILE A 64 -0.878 -5.014 11.260 1.00 1.14 H ATOM 1880 N ALA A 65 -6.234 -5.792 14.944 1.00 0.47 N ATOM 1881 CA ALA A 65 -7.083 -6.508 15.936 1.00 0.54 C ATOM 1882 C ALA A 65 -8.495 -6.686 15.373 1.00 0.62 C ATOM 1883 O ALA A 65 -9.155 -7.672 15.633 1.00 0.72 O ATOM 1884 CB ALA A 65 -7.155 -5.690 17.227 1.00 0.53 C ATOM 1885 H ALA A 65 -5.769 -4.970 15.203 1.00 0.44 H ATOM 1886 HA ALA A 65 -6.653 -7.476 16.147 1.00 0.56 H ATOM 1887 HB1 ALA A 65 -6.156 -5.428 17.544 1.00 1.22 H ATOM 1888 HB2 ALA A 65 -7.724 -4.789 17.050 1.00 1.11 H ATOM 1889 HB3 ALA A 65 -7.636 -6.274 17.998 1.00 1.12 H ATOM 1890 N GLU A 66 -8.970 -5.740 14.607 1.00 0.61 N ATOM 1891 CA GLU A 66 -10.344 -5.866 14.042 1.00 0.72 C ATOM 1892 C GLU A 66 -10.347 -6.926 12.941 1.00 0.75 C ATOM 1893 O GLU A 66 -11.275 -7.698 12.805 1.00 0.87 O ATOM 1894 CB GLU A 66 -10.784 -4.522 13.456 1.00 0.74 C ATOM 1895 CG GLU A 66 -10.964 -3.505 14.586 1.00 0.91 C ATOM 1896 CD GLU A 66 -11.675 -2.262 14.049 1.00 1.57 C ATOM 1897 OE1 GLU A 66 -11.088 -1.577 13.227 1.00 2.28 O ATOM 1898 OE2 GLU A 66 -12.794 -2.016 14.468 1.00 2.12 O ATOM 1899 H GLU A 66 -8.425 -4.947 14.404 1.00 0.56 H ATOM 1900 HA GLU A 66 -11.027 -6.158 14.826 1.00 0.81 H ATOM 1901 HB2 GLU A 66 -10.032 -4.166 12.766 1.00 0.85 H ATOM 1902 HB3 GLU A 66 -11.722 -4.645 12.934 1.00 0.86 H ATOM 1903 HG2 GLU A 66 -11.556 -3.946 15.376 1.00 1.28 H ATOM 1904 HG3 GLU A 66 -9.997 -3.224 14.975 1.00 1.23 H ATOM 1905 N LEU A 67 -9.312 -6.962 12.154 1.00 0.67 N ATOM 1906 CA LEU A 67 -9.238 -7.961 11.053 1.00 0.73 C ATOM 1907 C LEU A 67 -9.094 -9.368 11.638 1.00 0.84 C ATOM 1908 O LEU A 67 -9.522 -10.341 11.048 1.00 1.02 O ATOM 1909 CB LEU A 67 -8.029 -7.644 10.175 1.00 0.66 C ATOM 1910 CG LEU A 67 -7.958 -6.136 9.931 1.00 0.60 C ATOM 1911 CD1 LEU A 67 -6.814 -5.838 8.966 1.00 0.61 C ATOM 1912 CD2 LEU A 67 -9.279 -5.649 9.325 1.00 0.71 C ATOM 1913 H LEU A 67 -8.579 -6.326 12.286 1.00 0.59 H ATOM 1914 HA LEU A 67 -10.137 -7.910 10.458 1.00 0.81 H ATOM 1915 HB2 LEU A 67 -7.126 -7.971 10.671 1.00 0.64 H ATOM 1916 HB3 LEU A 67 -8.125 -8.156 9.229 1.00 0.72 H ATOM 1917 HG LEU A 67 -7.779 -5.627 10.868 1.00 0.55 H ATOM 1918 HD11 LEU A 67 -6.883 -6.500 8.117 1.00 1.22 H ATOM 1919 HD12 LEU A 67 -6.881 -4.814 8.633 1.00 1.22 H ATOM 1920 HD13 LEU A 67 -5.870 -5.994 9.467 1.00 1.13 H ATOM 1921 HD21 LEU A 67 -9.594 -6.332 8.549 1.00 1.19 H ATOM 1922 HD22 LEU A 67 -10.034 -5.605 10.095 1.00 1.20 H ATOM 1923 HD23 LEU A 67 -9.140 -4.664 8.903 1.00 1.25 H ATOM 1924 N GLN A 68 -8.496 -9.486 12.791 1.00 0.79 N ATOM 1925 CA GLN A 68 -8.329 -10.832 13.404 1.00 0.93 C ATOM 1926 C GLN A 68 -9.643 -11.251 14.060 1.00 1.09 C ATOM 1927 O GLN A 68 -10.031 -12.402 14.023 1.00 1.41 O ATOM 1928 CB GLN A 68 -7.230 -10.781 14.468 1.00 0.88 C ATOM 1929 CG GLN A 68 -5.865 -10.638 13.793 1.00 1.25 C ATOM 1930 CD GLN A 68 -4.763 -10.775 14.844 1.00 1.55 C ATOM 1931 OE1 GLN A 68 -4.917 -11.491 15.814 1.00 2.12 O ATOM 1932 NE2 GLN A 68 -3.649 -10.115 14.692 1.00 2.03 N ATOM 1933 H GLN A 68 -8.157 -8.690 13.252 1.00 0.70 H ATOM 1934 HA GLN A 68 -8.061 -11.549 12.640 1.00 1.03 H ATOM 1935 HB2 GLN A 68 -7.400 -9.937 15.120 1.00 1.19 H ATOM 1936 HB3 GLN A 68 -7.248 -11.692 15.047 1.00 1.19 H ATOM 1937 HG2 GLN A 68 -5.750 -11.410 13.046 1.00 1.77 H ATOM 1938 HG3 GLN A 68 -5.795 -9.668 13.325 1.00 1.82 H ATOM 1939 HE21 GLN A 68 -3.525 -9.537 13.911 1.00 2.29 H ATOM 1940 HE22 GLN A 68 -2.936 -10.196 15.360 1.00 2.50 H ATOM 1941 N LYS A 69 -10.332 -10.324 14.664 1.00 1.17 N ATOM 1942 CA LYS A 69 -11.620 -10.665 15.324 1.00 1.39 C ATOM 1943 C LYS A 69 -12.697 -10.882 14.260 1.00 1.50 C ATOM 1944 O LYS A 69 -12.837 -11.963 13.725 1.00 1.93 O ATOM 1945 CB LYS A 69 -12.021 -9.524 16.265 1.00 1.36 C ATOM 1946 CG LYS A 69 -11.179 -9.608 17.545 1.00 1.65 C ATOM 1947 CD LYS A 69 -11.274 -8.295 18.328 1.00 1.72 C ATOM 1948 CE LYS A 69 -10.707 -8.503 19.735 1.00 2.40 C ATOM 1949 NZ LYS A 69 -11.690 -9.260 20.559 1.00 2.90 N ATOM 1950 H LYS A 69 -10.001 -9.401 14.683 1.00 1.28 H ATOM 1951 HA LYS A 69 -11.497 -11.575 15.894 1.00 1.66 H ATOM 1952 HB2 LYS A 69 -11.845 -8.576 15.777 1.00 1.57 H ATOM 1953 HB3 LYS A 69 -13.067 -9.613 16.516 1.00 1.85 H ATOM 1954 HG2 LYS A 69 -11.544 -10.418 18.160 1.00 2.16 H ATOM 1955 HG3 LYS A 69 -10.147 -9.794 17.286 1.00 1.98 H ATOM 1956 HD2 LYS A 69 -10.705 -7.530 17.819 1.00 1.68 H ATOM 1957 HD3 LYS A 69 -12.307 -7.990 18.399 1.00 1.95 H ATOM 1958 HE2 LYS A 69 -9.784 -9.061 19.674 1.00 2.77 H ATOM 1959 HE3 LYS A 69 -10.517 -7.543 20.193 1.00 2.89 H ATOM 1960 HZ1 LYS A 69 -12.092 -10.035 19.993 1.00 3.27 H ATOM 1961 HZ2 LYS A 69 -11.213 -9.655 21.393 1.00 3.27 H ATOM 1962 HZ3 LYS A 69 -12.452 -8.620 20.863 1.00 3.19 H ATOM 1963 N ASP A 70 -13.464 -9.870 13.945 1.00 1.51 N ATOM 1964 CA ASP A 70 -14.528 -10.043 12.911 1.00 1.73 C ATOM 1965 C ASP A 70 -14.901 -8.690 12.304 1.00 1.73 C ATOM 1966 O ASP A 70 -15.048 -8.557 11.105 1.00 2.49 O ATOM 1967 CB ASP A 70 -15.767 -10.669 13.555 1.00 2.42 C ATOM 1968 CG ASP A 70 -16.718 -11.160 12.463 1.00 3.06 C ATOM 1969 OD1 ASP A 70 -16.570 -10.725 11.333 1.00 3.49 O ATOM 1970 OD2 ASP A 70 -17.583 -11.963 12.776 1.00 3.70 O ATOM 1971 H ASP A 70 -13.340 -9.004 14.387 1.00 1.63 H ATOM 1972 HA ASP A 70 -14.165 -10.692 12.129 1.00 1.97 H ATOM 1973 HB2 ASP A 70 -15.468 -11.501 14.176 1.00 2.93 H ATOM 1974 HB3 ASP A 70 -16.268 -9.929 14.161 1.00 2.64 H ATOM 1975 N ILE A 71 -15.067 -7.687 13.120 1.00 1.73 N ATOM 1976 CA ILE A 71 -15.444 -6.343 12.587 1.00 2.41 C ATOM 1977 C ILE A 71 -14.898 -5.252 13.515 1.00 3.12 C ATOM 1978 O ILE A 71 -13.818 -5.372 14.060 1.00 3.63 O ATOM 1979 CB ILE A 71 -16.970 -6.247 12.502 1.00 3.08 C ATOM 1980 CG1 ILE A 71 -17.364 -4.986 11.727 1.00 3.45 C ATOM 1981 CG2 ILE A 71 -17.562 -6.194 13.912 1.00 3.83 C ATOM 1982 CD1 ILE A 71 -18.879 -4.969 11.510 1.00 4.05 C ATOM 1983 H ILE A 71 -14.950 -7.817 14.083 1.00 1.89 H ATOM 1984 HA ILE A 71 -15.024 -6.213 11.599 1.00 2.72 H ATOM 1985 HB ILE A 71 -17.353 -7.118 11.988 1.00 3.51 H ATOM 1986 HG12 ILE A 71 -17.068 -4.112 12.287 1.00 3.66 H ATOM 1987 HG13 ILE A 71 -16.867 -4.986 10.767 1.00 3.76 H ATOM 1988 HG21 ILE A 71 -17.084 -6.942 14.525 1.00 4.11 H ATOM 1989 HG22 ILE A 71 -17.392 -5.216 14.336 1.00 4.30 H ATOM 1990 HG23 ILE A 71 -18.624 -6.392 13.868 1.00 4.13 H ATOM 1991 HD11 ILE A 71 -19.203 -5.941 11.166 1.00 4.43 H ATOM 1992 HD12 ILE A 71 -19.375 -4.731 12.440 1.00 4.14 H ATOM 1993 HD13 ILE A 71 -19.124 -4.225 10.769 1.00 4.51 H TER 1994 ILE A 71 MASTER 160 0 0 1 3 0 0 6 1103 3 0 8 END
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Entry Information
PDB ID
1b69
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
TN916 INTEGRASE N-TERMINAL DOMAIN
Ligand Name
DNA
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=151nM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
Nature structural biology. (1999) 6, pp. 366-73
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P22886
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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