USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) HEADER INTEGRASE/DNA 21-JAN-99 1B69 TITLE THE SOLUTION STRUCTURE OF TN916 INTEGRASE N-TERMINAL TITLE 2 DOMAIN/DNA COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (INTEGRASE); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DNA BINDING DOMAIN; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'- COMPND 9 D(*GP*AP*GP*TP*AP*GP*TP*AP*AP*AP*TP*TP*C)-3'); COMPND 0 CHAIN: B; COMPND 1 ENGINEERED: YES; COMPND 2 MOL_ID: 3; COMPND 3 MOLECULE: DNA (5'- COMPND 4 D(*GP*AP*AP*TP*TP*TP*AP*CP*TP*AP*CP*TP*C)-3'); COMPND 5 CHAIN: C; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; SOURCE 3 ORGANISM_TAXID: 1351; SOURCE 4 STRAIN: BL21(DE3); SOURCE 5 CELLULAR_LOCATION: CYTOPLASM; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET11A; SOURCE 1 MOL_ID: 2; SOURCE 2 SYNTHETIC: YES; SOURCE 3 MOL_ID: 3; SOURCE 4 SYNTHETIC: YES 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 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 1 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. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-JUL-99. REMARK 100 THE RCSB ID CODE IS RCSB007237. 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 REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 SIMULATED 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 : NULL 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 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. = 2.1 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. = 2.9 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 MUTATION 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 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 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot -53:sc= -0.527 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.812 K(o=-1.3,f=-3.2!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -164:sc= -0.649 (180deg=-0.118) USER MOD Set 2.2: C 122 DT C7 :methyl 150:sc= -2.03! (180deg=-1.98!) USER MOD Set 3.1: A 8 ASN : amide:sc= -4.45 K(o=-8.2,f=-18!) USER MOD Set 3.2: A 19 GLN :FLIP amide:sc= -3.79 F(o=-16!,f=-8.2) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.206) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 150:sc= 0.0674 USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= -2.68! (180deg=-4.01!) USER MOD Single : A 25 TYR OH : rot 150:sc= -2.19! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 101:sc= 1.12 USER MOD Single : A 41 SER OG : rot 130:sc= -0.516 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -142:sc= -0.731 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.995 X(o=-1,f=-1.4!) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc=-0.00386 (180deg=-0.225) USER MOD Single : B 101 DG O5' : rot 21:sc= -0.617 USER MOD Single : B 104 DT C7 :methyl -30:sc= -0.0539 (180deg=-0.0602) USER MOD Single : B 107 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 111 DT C7 :methyl -30:sc= 0 (180deg=-0.236) USER MOD Single : B 112 DT C7 :methyl 150:sc= -0.551 (180deg=-0.551) USER MOD Single : B 113 DC O3' : rot 180:sc= 0 USER MOD Single : C 114 DG O5' : rot 180:sc= -0.457 USER MOD Single : C 117 DT C7 :methyl -30:sc= 0 (180deg=-0.563) USER MOD Single : C 118 DT C7 :methyl -30:sc= -3.28! (180deg=-3.47!) USER MOD Single : C 119 DT C7 :methyl 150:sc= -4.07! (180deg=-4.07!) USER MOD Single : C 125 DT C7 :methyl -30:sc= -0.0786 (180deg=-0.644) USER MOD Single : C 126 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 16.094 -13.192 10.706 1.00 3.25 N ATOM 2 CA GLU A 3 16.125 -11.804 10.164 1.00 2.61 C ATOM 3 C GLU A 3 14.801 -11.103 10.466 1.00 2.05 C ATOM 4 O GLU A 3 13.743 -11.579 10.104 1.00 2.37 O ATOM 5 CB GLU A 3 16.330 -11.850 8.647 1.00 3.14 C ATOM 6 CG GLU A 3 17.532 -12.735 8.314 1.00 3.72 C ATOM 7 CD GLU A 3 17.671 -12.852 6.796 1.00 4.48 C ATOM 8 OE1 GLU A 3 16.655 -13.002 6.138 1.00 4.94 O ATOM 9 OE2 GLU A 3 18.791 -12.788 6.318 1.00 4.96 O ATOM 0 HA GLU A 3 16.944 -11.257 10.631 1.00 2.61 H new ATOM 0 HB2 GLU A 3 15.435 -12.239 8.161 1.00 3.14 H new ATOM 0 HB3 GLU A 3 16.490 -10.843 8.262 1.00 3.14 H new ATOM 0 HG2 GLU A 3 18.440 -12.310 8.742 1.00 3.72 H new ATOM 0 HG3 GLU A 3 17.404 -13.723 8.756 1.00 3.72 H new ATOM 16 N LYS A 4 14.852 -9.967 11.118 1.00 1.75 N ATOM 17 CA LYS A 4 13.599 -9.211 11.442 1.00 1.51 C ATOM 18 C LYS A 4 13.801 -7.746 11.037 1.00 1.34 C ATOM 19 O LYS A 4 14.740 -7.100 11.456 1.00 1.81 O ATOM 20 CB LYS A 4 13.315 -9.298 12.972 1.00 1.74 C ATOM 21 CG LYS A 4 12.058 -10.162 13.290 1.00 1.68 C ATOM 22 CD LYS A 4 12.474 -11.595 13.666 1.00 2.02 C ATOM 23 CE LYS A 4 13.242 -11.605 15.007 1.00 2.03 C ATOM 24 NZ LYS A 4 12.796 -12.773 15.816 1.00 2.64 N ATOM 0 H LYS A 4 15.713 -9.527 11.442 1.00 1.75 H new ATOM 0 HA LYS A 4 12.753 -9.637 10.902 1.00 1.51 H new ATOM 0 HB2 LYS A 4 14.183 -9.723 13.477 1.00 1.74 H new ATOM 0 HB3 LYS A 4 13.174 -8.294 13.371 1.00 1.74 H new ATOM 0 HG2 LYS A 4 11.497 -9.712 14.110 1.00 1.68 H new ATOM 0 HG3 LYS A 4 11.395 -10.184 12.425 1.00 1.68 H new ATOM 0 HD2 LYS A 4 11.590 -12.228 13.743 1.00 2.02 H new ATOM 0 HD3 LYS A 4 13.100 -12.016 12.879 1.00 2.02 H new ATOM 0 HE2 LYS A 4 14.315 -11.662 14.825 1.00 2.03 H new ATOM 0 HE3 LYS A 4 13.059 -10.679 15.552 1.00 2.03 H new ATOM 0 HZ1 LYS A 4 13.310 -12.785 16.720 1.00 2.64 H new ATOM 0 HZ2 LYS A 4 11.775 -12.699 15.999 1.00 2.64 H new ATOM 0 HZ3 LYS A 4 12.992 -13.651 15.295 1.00 2.64 H new ATOM 38 N ARG A 5 12.918 -7.211 10.243 1.00 1.21 N ATOM 39 CA ARG A 5 13.058 -5.789 9.840 1.00 1.09 C ATOM 40 C ARG A 5 12.577 -4.916 10.998 1.00 0.93 C ATOM 41 O ARG A 5 11.986 -5.405 11.940 1.00 0.95 O ATOM 42 CB ARG A 5 12.207 -5.522 8.596 1.00 1.24 C ATOM 43 CG ARG A 5 12.867 -6.184 7.382 1.00 1.58 C ATOM 44 CD ARG A 5 11.908 -6.170 6.184 1.00 1.47 C ATOM 45 NE ARG A 5 11.876 -4.811 5.575 1.00 2.25 N ATOM 46 CZ ARG A 5 11.393 -4.651 4.372 1.00 2.83 C ATOM 47 NH1 ARG A 5 10.943 -5.679 3.706 1.00 2.80 N ATOM 48 NH2 ARG A 5 11.359 -3.463 3.836 1.00 3.86 N ATOM 0 H ARG A 5 12.108 -7.697 9.857 1.00 1.21 H new ATOM 0 HA ARG A 5 14.098 -5.561 9.607 1.00 1.09 H new ATOM 0 HB2 ARG A 5 11.201 -5.916 8.738 1.00 1.24 H new ATOM 0 HB3 ARG A 5 12.109 -4.449 8.431 1.00 1.24 H new ATOM 0 HG2 ARG A 5 13.787 -5.658 7.127 1.00 1.58 H new ATOM 0 HG3 ARG A 5 13.144 -7.210 7.624 1.00 1.58 H new ATOM 0 HD2 ARG A 5 12.228 -6.903 5.443 1.00 1.47 H new ATOM 0 HD3 ARG A 5 10.907 -6.458 6.505 1.00 1.47 H new ATOM 0 HE ARG A 5 12.230 -4.008 6.095 1.00 2.25 H new ATOM 0 HH11 ARG A 5 10.968 -6.609 4.125 1.00 2.80 H new ATOM 0 HH12 ARG A 5 10.566 -5.553 2.767 1.00 2.80 H new ATOM 0 HH21 ARG A 5 11.710 -2.659 4.356 1.00 3.86 H new ATOM 0 HH22 ARG A 5 10.982 -3.338 2.897 1.00 3.86 H new ATOM 62 N ARG A 6 12.831 -3.634 10.944 1.00 0.86 N ATOM 63 CA ARG A 6 12.396 -2.726 12.052 1.00 0.77 C ATOM 64 C ARG A 6 11.687 -1.505 11.471 1.00 0.73 C ATOM 65 O ARG A 6 11.658 -1.300 10.273 1.00 0.79 O ATOM 66 CB ARG A 6 13.618 -2.250 12.833 1.00 0.90 C ATOM 67 CG ARG A 6 14.446 -3.465 13.324 1.00 1.26 C ATOM 68 CD ARG A 6 15.113 -3.169 14.686 1.00 0.98 C ATOM 69 NE ARG A 6 16.528 -3.627 14.656 1.00 1.69 N ATOM 70 CZ ARG A 6 17.370 -3.186 15.550 1.00 1.92 C ATOM 71 NH1 ARG A 6 16.962 -2.364 16.479 1.00 2.10 N ATOM 72 NH2 ARG A 6 18.617 -3.568 15.518 1.00 2.68 N ATOM 0 H ARG A 6 13.323 -3.174 10.178 1.00 0.86 H new ATOM 0 HA ARG A 6 11.719 -3.271 12.710 1.00 0.77 H new ATOM 0 HB2 ARG A 6 14.236 -1.611 12.202 1.00 0.90 H new ATOM 0 HB3 ARG A 6 13.302 -1.648 13.685 1.00 0.90 H new ATOM 0 HG2 ARG A 6 13.799 -4.337 13.414 1.00 1.26 H new ATOM 0 HG3 ARG A 6 15.210 -3.710 12.587 1.00 1.26 H new ATOM 0 HD2 ARG A 6 15.070 -2.101 14.899 1.00 0.98 H new ATOM 0 HD3 ARG A 6 14.572 -3.676 15.485 1.00 0.98 H new ATOM 0 HE ARG A 6 16.839 -4.283 13.940 1.00 1.69 H new ATOM 0 HH11 ARG A 6 15.986 -2.068 16.505 1.00 2.10 H new ATOM 0 HH12 ARG A 6 17.619 -2.018 17.179 1.00 2.10 H new ATOM 0 HH21 ARG A 6 18.935 -4.212 14.794 1.00 2.68 H new ATOM 0 HH22 ARG A 6 19.274 -3.223 16.217 1.00 2.68 H new ATOM 86 N ASP A 7 11.131 -0.680 12.314 1.00 0.67 N ATOM 87 CA ASP A 7 10.441 0.544 11.822 1.00 0.69 C ATOM 88 C ASP A 7 11.481 1.644 11.612 1.00 0.76 C ATOM 89 O ASP A 7 12.668 1.388 11.571 1.00 0.88 O ATOM 90 CB ASP A 7 9.419 1.007 12.861 1.00 0.67 C ATOM 91 CG ASP A 7 10.091 1.084 14.233 1.00 0.86 C ATOM 92 OD1 ASP A 7 11.276 0.802 14.307 1.00 1.38 O ATOM 93 OD2 ASP A 7 9.409 1.422 15.186 1.00 1.56 O ATOM 0 H ASP A 7 11.125 -0.802 13.327 1.00 0.67 H new ATOM 0 HA ASP A 7 9.930 0.329 10.884 1.00 0.69 H new ATOM 0 HB2 ASP A 7 9.019 1.982 12.584 1.00 0.67 H new ATOM 0 HB3 ASP A 7 8.578 0.315 12.894 1.00 0.67 H new ATOM 98 N ASN A 8 11.050 2.867 11.485 1.00 0.75 N ATOM 99 CA ASN A 8 12.025 3.979 11.286 1.00 0.82 C ATOM 100 C ASN A 8 12.715 4.294 12.616 1.00 0.83 C ATOM 101 O ASN A 8 13.564 5.160 12.695 1.00 0.94 O ATOM 102 CB ASN A 8 11.291 5.225 10.791 1.00 0.87 C ATOM 103 CG ASN A 8 10.540 4.897 9.500 1.00 1.41 C ATOM 104 OD1 ASN A 8 11.018 4.135 8.682 1.00 2.20 O ATOM 105 ND2 ASN A 8 9.376 5.443 9.282 1.00 1.93 N ATOM 0 H ASN A 8 10.069 3.146 11.510 1.00 0.75 H new ATOM 0 HA ASN A 8 12.769 3.679 10.548 1.00 0.82 H new ATOM 0 HB2 ASN A 8 10.593 5.575 11.551 1.00 0.87 H new ATOM 0 HB3 ASN A 8 12.002 6.033 10.615 1.00 0.87 H new ATOM 0 HD21 ASN A 8 8.866 5.231 8.425 1.00 1.93 H new ATOM 0 HD22 ASN A 8 8.976 6.082 9.969 1.00 1.93 H new ATOM 112 N ARG A 9 12.351 3.597 13.663 1.00 0.82 N ATOM 113 CA ARG A 9 12.972 3.844 15.003 1.00 0.91 C ATOM 114 C ARG A 9 13.959 2.718 15.326 1.00 0.96 C ATOM 115 O ARG A 9 15.023 2.629 14.748 1.00 1.24 O ATOM 116 CB ARG A 9 11.871 3.873 16.067 1.00 0.92 C ATOM 117 CG ARG A 9 10.851 4.968 15.732 1.00 1.02 C ATOM 118 CD ARG A 9 11.513 6.351 15.806 1.00 1.43 C ATOM 119 NE ARG A 9 10.470 7.381 16.072 1.00 1.91 N ATOM 120 CZ ARG A 9 10.818 8.575 16.465 1.00 2.30 C ATOM 121 NH1 ARG A 9 12.080 8.866 16.625 1.00 2.49 N ATOM 122 NH2 ARG A 9 9.904 9.476 16.699 1.00 3.03 N ATOM 0 H ARG A 9 11.645 2.861 13.648 1.00 0.82 H new ATOM 0 HA ARG A 9 13.501 4.797 14.991 1.00 0.91 H new ATOM 0 HB2 ARG A 9 11.375 2.904 16.116 1.00 0.92 H new ATOM 0 HB3 ARG A 9 12.307 4.058 17.049 1.00 0.92 H new ATOM 0 HG2 ARG A 9 10.445 4.804 14.734 1.00 1.02 H new ATOM 0 HG3 ARG A 9 10.014 4.920 16.428 1.00 1.02 H new ATOM 0 HD2 ARG A 9 12.265 6.366 16.595 1.00 1.43 H new ATOM 0 HD3 ARG A 9 12.028 6.571 14.871 1.00 1.43 H new ATOM 0 HE ARG A 9 9.484 7.152 15.947 1.00 1.91 H new ATOM 0 HH11 ARG A 9 12.793 8.160 16.443 1.00 2.49 H new ATOM 0 HH12 ARG A 9 12.353 9.799 16.932 1.00 2.49 H new ATOM 0 HH21 ARG A 9 8.918 9.246 16.575 1.00 3.03 H new ATOM 0 HH22 ARG A 9 10.175 10.410 17.006 1.00 3.03 H new ATOM 136 N GLY A 10 13.614 1.858 16.248 1.00 0.85 N ATOM 137 CA GLY A 10 14.529 0.737 16.613 1.00 0.94 C ATOM 138 C GLY A 10 13.701 -0.423 17.164 1.00 0.89 C ATOM 139 O GLY A 10 14.219 -1.337 17.775 1.00 0.95 O ATOM 0 H GLY A 10 12.735 1.884 16.765 1.00 0.85 H new ATOM 0 HA2 GLY A 10 15.095 0.414 15.739 1.00 0.94 H new ATOM 0 HA3 GLY A 10 15.253 1.069 17.357 1.00 0.94 H new ATOM 143 N ARG A 11 12.414 -0.388 16.948 1.00 0.81 N ATOM 144 CA ARG A 11 11.536 -1.480 17.451 1.00 0.79 C ATOM 145 C ARG A 11 11.579 -2.653 16.470 1.00 0.73 C ATOM 146 O ARG A 11 12.460 -2.737 15.638 1.00 0.85 O ATOM 147 CB ARG A 11 10.105 -0.949 17.575 1.00 0.80 C ATOM 148 CG ARG A 11 9.987 -0.098 18.846 1.00 1.25 C ATOM 149 CD ARG A 11 8.648 0.644 18.858 1.00 1.29 C ATOM 150 NE ARG A 11 8.490 1.398 17.583 1.00 0.91 N ATOM 151 CZ ARG A 11 7.332 1.899 17.254 1.00 1.19 C ATOM 152 NH1 ARG A 11 6.310 1.767 18.053 1.00 1.82 N ATOM 153 NH2 ARG A 11 7.195 2.539 16.127 1.00 1.51 N ATOM 0 H ARG A 11 11.932 0.355 16.442 1.00 0.81 H new ATOM 0 HA ARG A 11 11.880 -1.821 18.427 1.00 0.79 H new ATOM 0 HB2 ARG A 11 9.849 -0.352 16.699 1.00 0.80 H new ATOM 0 HB3 ARG A 11 9.399 -1.779 17.613 1.00 0.80 H new ATOM 0 HG2 ARG A 11 10.068 -0.734 19.728 1.00 1.25 H new ATOM 0 HG3 ARG A 11 10.809 0.617 18.892 1.00 1.25 H new ATOM 0 HD2 ARG A 11 7.828 -0.064 18.979 1.00 1.29 H new ATOM 0 HD3 ARG A 11 8.606 1.328 19.706 1.00 1.29 H new ATOM 0 HE ARG A 11 9.291 1.523 16.964 1.00 0.91 H new ATOM 0 HH11 ARG A 11 6.415 1.271 18.938 1.00 1.82 H new ATOM 0 HH12 ARG A 11 5.405 2.160 17.793 1.00 1.82 H new ATOM 0 HH21 ARG A 11 7.994 2.648 15.502 1.00 1.51 H new ATOM 0 HH22 ARG A 11 6.289 2.931 15.870 1.00 1.51 H new ATOM 167 N ILE A 12 10.641 -3.565 16.566 1.00 0.72 N ATOM 168 CA ILE A 12 10.628 -4.749 15.643 1.00 0.67 C ATOM 169 C ILE A 12 9.231 -4.921 15.039 1.00 0.59 C ATOM 170 O ILE A 12 8.263 -5.144 15.739 1.00 0.66 O ATOM 171 CB ILE A 12 10.978 -6.021 16.427 1.00 0.77 C ATOM 172 CG1 ILE A 12 12.389 -5.902 17.054 1.00 0.94 C ATOM 173 CG2 ILE A 12 10.910 -7.227 15.481 1.00 0.74 C ATOM 174 CD1 ILE A 12 13.480 -6.311 16.052 1.00 0.99 C ATOM 0 H ILE A 12 9.881 -3.542 17.245 1.00 0.72 H new ATOM 0 HA ILE A 12 11.359 -4.584 14.851 1.00 0.67 H new ATOM 0 HB ILE A 12 10.262 -6.155 17.237 1.00 0.77 H new ATOM 0 HG12 ILE A 12 12.559 -4.876 17.382 1.00 0.94 H new ATOM 0 HG13 ILE A 12 12.450 -6.534 17.940 1.00 0.94 H new ATOM 0 HG21 ILE A 12 11.158 -8.135 16.031 1.00 0.74 H new ATOM 0 HG22 ILE A 12 9.903 -7.313 15.073 1.00 0.74 H new ATOM 0 HG23 ILE A 12 11.621 -7.091 14.666 1.00 0.74 H new ATOM 0 HD11 ILE A 12 14.459 -6.217 16.522 1.00 0.99 H new ATOM 0 HD12 ILE A 12 13.323 -7.345 15.745 1.00 0.99 H new ATOM 0 HD13 ILE A 12 13.433 -5.662 15.178 1.00 0.99 H new ATOM 186 N LEU A 13 9.125 -4.841 13.739 1.00 0.54 N ATOM 187 CA LEU A 13 7.800 -5.022 13.075 1.00 0.55 C ATOM 188 C LEU A 13 7.616 -6.508 12.755 1.00 0.52 C ATOM 189 O LEU A 13 8.558 -7.190 12.403 1.00 0.56 O ATOM 190 CB LEU A 13 7.769 -4.217 11.769 1.00 0.65 C ATOM 191 CG LEU A 13 7.612 -2.711 12.065 1.00 0.63 C ATOM 192 CD1 LEU A 13 8.131 -1.898 10.875 1.00 0.84 C ATOM 193 CD2 LEU A 13 6.135 -2.361 12.293 1.00 0.98 C ATOM 0 H LEU A 13 9.903 -4.657 13.105 1.00 0.54 H new ATOM 0 HA LEU A 13 7.002 -4.675 13.732 1.00 0.55 H new ATOM 0 HB2 LEU A 13 8.687 -4.389 11.207 1.00 0.65 H new ATOM 0 HB3 LEU A 13 6.944 -4.559 11.144 1.00 0.65 H new ATOM 0 HG LEU A 13 8.183 -2.473 12.963 1.00 0.63 H new ATOM 0 HD11 LEU A 13 8.020 -0.834 11.085 1.00 0.84 H new ATOM 0 HD12 LEU A 13 9.184 -2.127 10.709 1.00 0.84 H new ATOM 0 HD13 LEU A 13 7.559 -2.153 9.983 1.00 0.84 H new ATOM 0 HD21 LEU A 13 6.042 -1.295 12.501 1.00 0.98 H new ATOM 0 HD22 LEU A 13 5.560 -2.609 11.400 1.00 0.98 H new ATOM 0 HD23 LEU A 13 5.753 -2.930 13.140 1.00 0.98 H new ATOM 205 N LYS A 14 6.420 -7.024 12.869 1.00 0.50 N ATOM 206 CA LYS A 14 6.207 -8.474 12.563 1.00 0.52 C ATOM 207 C LYS A 14 5.874 -8.628 11.073 1.00 0.47 C ATOM 208 O LYS A 14 5.478 -7.686 10.416 1.00 0.54 O ATOM 209 CB LYS A 14 5.048 -9.017 13.423 1.00 0.61 C ATOM 210 CG LYS A 14 5.574 -9.477 14.798 1.00 1.17 C ATOM 211 CD LYS A 14 6.098 -10.922 14.708 1.00 0.88 C ATOM 212 CE LYS A 14 7.074 -11.193 15.855 1.00 1.33 C ATOM 213 NZ LYS A 14 6.406 -10.914 17.158 1.00 2.16 N ATOM 0 H LYS A 14 5.587 -6.511 13.158 1.00 0.50 H new ATOM 0 HA LYS A 14 7.111 -9.038 12.792 1.00 0.52 H new ATOM 0 HB2 LYS A 14 4.291 -8.244 13.555 1.00 0.61 H new ATOM 0 HB3 LYS A 14 4.566 -9.851 12.912 1.00 0.61 H new ATOM 0 HG2 LYS A 14 6.371 -8.813 15.132 1.00 1.17 H new ATOM 0 HG3 LYS A 14 4.777 -9.416 15.540 1.00 1.17 H new ATOM 0 HD2 LYS A 14 5.265 -11.624 14.754 1.00 0.88 H new ATOM 0 HD3 LYS A 14 6.595 -11.079 13.751 1.00 0.88 H new ATOM 0 HE2 LYS A 14 7.410 -12.229 15.822 1.00 1.33 H new ATOM 0 HE3 LYS A 14 7.960 -10.567 15.748 1.00 1.33 H new ATOM 0 HZ1 LYS A 14 6.946 -11.360 17.927 1.00 2.16 H new ATOM 0 HZ2 LYS A 14 6.365 -9.887 17.314 1.00 2.16 H new ATOM 0 HZ3 LYS A 14 5.441 -11.301 17.143 1.00 2.16 H new ATOM 227 N THR A 15 6.039 -9.808 10.533 1.00 0.51 N ATOM 228 CA THR A 15 5.738 -10.018 9.085 1.00 0.53 C ATOM 229 C THR A 15 4.386 -9.391 8.747 1.00 0.55 C ATOM 230 O THR A 15 3.587 -9.107 9.618 1.00 1.14 O ATOM 231 CB THR A 15 5.688 -11.520 8.777 1.00 0.62 C ATOM 232 OG1 THR A 15 6.977 -12.084 8.968 1.00 0.98 O ATOM 233 CG2 THR A 15 5.244 -11.738 7.326 1.00 0.92 C ATOM 0 H THR A 15 6.369 -10.635 11.031 1.00 0.51 H new ATOM 0 HA THR A 15 6.520 -9.550 8.487 1.00 0.53 H new ATOM 0 HB THR A 15 4.975 -12.002 9.446 1.00 0.62 H new ATOM 0 HG1 THR A 15 6.946 -13.044 8.773 1.00 0.98 H new ATOM 0 HG21 THR A 15 5.210 -12.806 7.112 1.00 0.92 H new ATOM 0 HG22 THR A 15 4.253 -11.307 7.180 1.00 0.92 H new ATOM 0 HG23 THR A 15 5.952 -11.256 6.652 1.00 0.92 H new ATOM 241 N GLY A 16 4.121 -9.175 7.489 1.00 0.57 N ATOM 242 CA GLY A 16 2.818 -8.568 7.102 1.00 0.54 C ATOM 243 C GLY A 16 2.872 -7.059 7.336 1.00 0.45 C ATOM 244 O GLY A 16 2.306 -6.285 6.590 1.00 0.44 O ATOM 0 H GLY A 16 4.748 -9.392 6.714 1.00 0.57 H new ATOM 0 HA2 GLY A 16 2.604 -8.777 6.054 1.00 0.54 H new ATOM 0 HA3 GLY A 16 2.011 -9.009 7.687 1.00 0.54 H new ATOM 248 N GLU A 17 3.537 -6.632 8.380 1.00 0.44 N ATOM 249 CA GLU A 17 3.616 -5.168 8.679 1.00 0.41 C ATOM 250 C GLU A 17 4.864 -4.566 8.033 1.00 0.42 C ATOM 251 O GLU A 17 5.821 -5.254 7.735 1.00 0.54 O ATOM 252 CB GLU A 17 3.688 -4.961 10.193 1.00 0.49 C ATOM 253 CG GLU A 17 2.380 -5.424 10.836 1.00 0.66 C ATOM 254 CD GLU A 17 2.569 -5.540 12.348 1.00 1.24 C ATOM 255 OE1 GLU A 17 3.218 -4.675 12.912 1.00 2.07 O ATOM 256 OE2 GLU A 17 2.061 -6.492 12.917 1.00 1.81 O ATOM 0 H GLU A 17 4.030 -7.234 9.039 1.00 0.44 H new ATOM 0 HA GLU A 17 2.730 -4.677 8.277 1.00 0.41 H new ATOM 0 HB2 GLU A 17 4.527 -5.520 10.607 1.00 0.49 H new ATOM 0 HB3 GLU A 17 3.864 -3.909 10.419 1.00 0.49 H new ATOM 0 HG2 GLU A 17 1.582 -4.717 10.612 1.00 0.66 H new ATOM 0 HG3 GLU A 17 2.079 -6.386 10.421 1.00 0.66 H new ATOM 263 N SER A 18 4.858 -3.279 7.822 1.00 0.39 N ATOM 264 CA SER A 18 6.035 -2.611 7.202 1.00 0.44 C ATOM 265 C SER A 18 5.787 -1.101 7.168 1.00 0.50 C ATOM 266 O SER A 18 4.925 -0.592 7.858 1.00 0.91 O ATOM 267 CB SER A 18 6.223 -3.136 5.778 1.00 0.51 C ATOM 268 OG SER A 18 4.968 -3.145 5.111 1.00 1.35 O ATOM 0 H SER A 18 4.083 -2.658 8.054 1.00 0.39 H new ATOM 0 HA SER A 18 6.933 -2.821 7.783 1.00 0.44 H new ATOM 0 HB2 SER A 18 6.931 -2.508 5.237 1.00 0.51 H new ATOM 0 HB3 SER A 18 6.643 -4.142 5.801 1.00 0.51 H new ATOM 0 HG SER A 18 5.107 -3.002 4.151 1.00 1.35 H new ATOM 274 N GLN A 19 6.528 -0.378 6.369 1.00 0.58 N ATOM 275 CA GLN A 19 6.327 1.103 6.286 1.00 0.56 C ATOM 276 C GLN A 19 6.537 1.552 4.839 1.00 0.56 C ATOM 277 O GLN A 19 7.398 1.052 4.142 1.00 0.65 O ATOM 278 CB GLN A 19 7.323 1.816 7.207 1.00 0.62 C ATOM 279 CG GLN A 19 8.749 1.386 6.862 1.00 1.20 C ATOM 280 CD GLN A 19 9.711 1.892 7.938 1.00 1.66 C ATOM 281 OE1 GLN A 19 9.237 2.513 8.983 1.00 2.44 O flip ATOM 282 NE2 GLN A 19 10.908 1.722 7.826 1.00 1.95 N flip ATOM 0 H GLN A 19 7.265 -0.748 5.769 1.00 0.58 H new ATOM 0 HA GLN A 19 5.316 1.356 6.604 1.00 0.56 H new ATOM 0 HB2 GLN A 19 7.223 2.896 7.099 1.00 0.62 H new ATOM 0 HB3 GLN A 19 7.104 1.578 8.248 1.00 0.62 H new ATOM 0 HG2 GLN A 19 8.805 0.300 6.791 1.00 1.20 H new ATOM 0 HG3 GLN A 19 9.034 1.784 5.888 1.00 1.20 H new ATOM 0 HE21 GLN A 19 11.280 1.237 7.010 1.00 1.95 H new ATOM 0 HE22 GLN A 19 11.542 2.064 8.548 1.00 1.95 H new ATOM 291 N ARG A 20 5.741 2.479 4.374 1.00 0.58 N ATOM 292 CA ARG A 20 5.877 2.945 2.962 1.00 0.63 C ATOM 293 C ARG A 20 6.957 4.034 2.870 1.00 0.61 C ATOM 294 O ARG A 20 7.875 4.086 3.664 1.00 0.76 O ATOM 295 CB ARG A 20 4.506 3.484 2.476 1.00 0.72 C ATOM 296 CG ARG A 20 4.128 2.845 1.127 1.00 0.99 C ATOM 297 CD ARG A 20 2.959 3.607 0.478 1.00 1.10 C ATOM 298 NE ARG A 20 3.495 4.638 -0.452 1.00 1.63 N ATOM 299 CZ ARG A 20 2.707 5.191 -1.332 1.00 2.03 C ATOM 300 NH1 ARG A 20 1.449 4.846 -1.387 1.00 2.24 N ATOM 301 NH2 ARG A 20 3.174 6.088 -2.156 1.00 2.84 N ATOM 0 H ARG A 20 5.002 2.934 4.911 1.00 0.58 H new ATOM 0 HA ARG A 20 6.180 2.115 2.324 1.00 0.63 H new ATOM 0 HB2 ARG A 20 3.738 3.265 3.218 1.00 0.72 H new ATOM 0 HB3 ARG A 20 4.550 4.568 2.373 1.00 0.72 H new ATOM 0 HG2 ARG A 20 4.990 2.853 0.460 1.00 0.99 H new ATOM 0 HG3 ARG A 20 3.851 1.802 1.277 1.00 0.99 H new ATOM 0 HD2 ARG A 20 2.314 2.914 -0.063 1.00 1.10 H new ATOM 0 HD3 ARG A 20 2.347 4.078 1.247 1.00 1.10 H new ATOM 0 HE ARG A 20 4.476 4.911 -0.401 1.00 1.63 H new ATOM 0 HH11 ARG A 20 1.084 4.145 -0.742 1.00 2.24 H new ATOM 0 HH12 ARG A 20 0.831 5.278 -2.075 1.00 2.24 H new ATOM 0 HH21 ARG A 20 4.157 6.358 -2.113 1.00 2.84 H new ATOM 0 HH22 ARG A 20 2.556 6.520 -2.844 1.00 2.84 H new ATOM 315 N LYS A 21 6.855 4.887 1.887 1.00 0.59 N ATOM 316 CA LYS A 21 7.870 5.964 1.705 1.00 0.61 C ATOM 317 C LYS A 21 7.494 7.189 2.548 1.00 0.59 C ATOM 318 O LYS A 21 8.323 8.028 2.841 1.00 0.65 O ATOM 319 CB LYS A 21 7.910 6.365 0.222 1.00 0.70 C ATOM 320 CG LYS A 21 8.131 5.113 -0.678 1.00 0.80 C ATOM 321 CD LYS A 21 7.326 5.220 -1.988 1.00 0.86 C ATOM 322 CE LYS A 21 8.046 6.147 -2.971 1.00 1.07 C ATOM 323 NZ LYS A 21 8.440 7.405 -2.280 1.00 1.77 N ATOM 0 H LYS A 21 6.105 4.884 1.196 1.00 0.59 H new ATOM 0 HA LYS A 21 8.846 5.598 2.023 1.00 0.61 H new ATOM 0 HB2 LYS A 21 6.977 6.857 -0.053 1.00 0.70 H new ATOM 0 HB3 LYS A 21 8.711 7.085 0.056 1.00 0.70 H new ATOM 0 HG2 LYS A 21 9.192 5.009 -0.907 1.00 0.80 H new ATOM 0 HG3 LYS A 21 7.832 4.215 -0.137 1.00 0.80 H new ATOM 0 HD2 LYS A 21 7.203 4.232 -2.431 1.00 0.86 H new ATOM 0 HD3 LYS A 21 6.327 5.602 -1.780 1.00 0.86 H new ATOM 0 HE2 LYS A 21 8.929 5.650 -3.374 1.00 1.07 H new ATOM 0 HE3 LYS A 21 7.395 6.373 -3.815 1.00 1.07 H new ATOM 0 HZ1 LYS A 21 8.660 8.135 -2.987 1.00 1.77 H new ATOM 0 HZ2 LYS A 21 7.657 7.731 -1.678 1.00 1.77 H new ATOM 0 HZ3 LYS A 21 9.279 7.229 -1.691 1.00 1.77 H new ATOM 337 N ASP A 22 6.249 7.308 2.927 1.00 0.56 N ATOM 338 CA ASP A 22 5.821 8.489 3.737 1.00 0.60 C ATOM 339 C ASP A 22 6.130 8.257 5.221 1.00 0.54 C ATOM 340 O ASP A 22 5.794 9.065 6.064 1.00 0.58 O ATOM 341 CB ASP A 22 4.317 8.708 3.559 1.00 0.66 C ATOM 342 CG ASP A 22 4.015 9.000 2.089 1.00 0.72 C ATOM 343 OD1 ASP A 22 4.948 9.296 1.360 1.00 1.29 O ATOM 344 OD2 ASP A 22 2.856 8.922 1.715 1.00 1.33 O ATOM 0 H ASP A 22 5.509 6.639 2.711 1.00 0.56 H new ATOM 0 HA ASP A 22 6.367 9.369 3.396 1.00 0.60 H new ATOM 0 HB2 ASP A 22 3.769 7.824 3.885 1.00 0.66 H new ATOM 0 HB3 ASP A 22 3.983 9.538 4.182 1.00 0.66 H new ATOM 349 N GLY A 23 6.767 7.166 5.550 1.00 0.50 N ATOM 350 CA GLY A 23 7.093 6.898 6.981 1.00 0.51 C ATOM 351 C GLY A 23 5.871 6.308 7.685 1.00 0.43 C ATOM 352 O GLY A 23 5.981 5.698 8.730 1.00 0.41 O ATOM 0 H GLY A 23 7.075 6.450 4.892 1.00 0.50 H new ATOM 0 HA2 GLY A 23 7.933 6.207 7.050 1.00 0.51 H new ATOM 0 HA3 GLY A 23 7.398 7.821 7.474 1.00 0.51 H new ATOM 356 N ARG A 24 4.706 6.479 7.124 1.00 0.45 N ATOM 357 CA ARG A 24 3.487 5.919 7.770 1.00 0.42 C ATOM 358 C ARG A 24 3.551 4.394 7.716 1.00 0.39 C ATOM 359 O ARG A 24 4.173 3.821 6.844 1.00 0.45 O ATOM 360 CB ARG A 24 2.241 6.408 7.029 1.00 0.53 C ATOM 361 CG ARG A 24 2.235 5.849 5.606 1.00 0.63 C ATOM 362 CD ARG A 24 1.211 6.612 4.763 1.00 0.54 C ATOM 363 NE ARG A 24 1.548 8.064 4.768 1.00 0.86 N ATOM 364 CZ ARG A 24 0.989 8.868 3.907 1.00 0.99 C ATOM 365 NH1 ARG A 24 0.134 8.403 3.041 1.00 1.15 N ATOM 366 NH2 ARG A 24 1.284 10.139 3.915 1.00 1.49 N ATOM 0 H ARG A 24 4.546 6.980 6.250 1.00 0.45 H new ATOM 0 HA ARG A 24 3.437 6.249 8.808 1.00 0.42 H new ATOM 0 HB2 ARG A 24 1.343 6.090 7.559 1.00 0.53 H new ATOM 0 HB3 ARG A 24 2.226 7.498 7.002 1.00 0.53 H new ATOM 0 HG2 ARG A 24 3.227 5.941 5.164 1.00 0.63 H new ATOM 0 HG3 ARG A 24 1.990 4.787 5.622 1.00 0.63 H new ATOM 0 HD2 ARG A 24 1.209 6.232 3.742 1.00 0.54 H new ATOM 0 HD3 ARG A 24 0.208 6.459 5.162 1.00 0.54 H new ATOM 0 HE ARG A 24 2.217 8.429 5.446 1.00 0.86 H new ATOM 0 HH11 ARG A 24 -0.098 7.410 3.036 1.00 1.15 H new ATOM 0 HH12 ARG A 24 -0.303 9.032 2.368 1.00 1.15 H new ATOM 0 HH21 ARG A 24 1.952 10.503 4.595 1.00 1.49 H new ATOM 0 HH22 ARG A 24 0.847 10.768 3.242 1.00 1.49 H new ATOM 380 N TYR A 25 2.925 3.728 8.646 1.00 0.36 N ATOM 381 CA TYR A 25 2.969 2.240 8.645 1.00 0.37 C ATOM 382 C TYR A 25 2.022 1.688 7.580 1.00 0.42 C ATOM 383 O TYR A 25 1.039 2.311 7.214 1.00 0.49 O ATOM 384 CB TYR A 25 2.560 1.711 10.021 1.00 0.38 C ATOM 385 CG TYR A 25 3.624 2.077 11.033 1.00 0.38 C ATOM 386 CD1 TYR A 25 4.913 1.536 10.920 1.00 0.42 C ATOM 387 CD2 TYR A 25 3.326 2.958 12.081 1.00 0.44 C ATOM 388 CE1 TYR A 25 5.901 1.876 11.851 1.00 0.47 C ATOM 389 CE2 TYR A 25 4.315 3.298 13.013 1.00 0.50 C ATOM 390 CZ TYR A 25 5.603 2.758 12.897 1.00 0.50 C ATOM 391 OH TYR A 25 6.576 3.093 13.816 1.00 0.59 O ATOM 0 H TYR A 25 2.387 4.148 9.404 1.00 0.36 H new ATOM 0 HA TYR A 25 3.985 1.916 8.420 1.00 0.37 H new ATOM 0 HB2 TYR A 25 1.600 2.135 10.316 1.00 0.38 H new ATOM 0 HB3 TYR A 25 2.433 0.629 9.985 1.00 0.38 H new ATOM 0 HD1 TYR A 25 5.144 0.856 10.113 1.00 0.42 H new ATOM 0 HD2 TYR A 25 2.334 3.375 12.170 1.00 0.44 H new ATOM 0 HE1 TYR A 25 6.893 1.458 11.763 1.00 0.47 H new ATOM 0 HE2 TYR A 25 4.085 3.976 13.821 1.00 0.50 H new ATOM 0 HH TYR A 25 6.410 3.998 14.153 1.00 0.59 H new ATOM 401 N LEU A 26 2.323 0.514 7.085 1.00 0.45 N ATOM 402 CA LEU A 26 1.475 -0.126 6.037 1.00 0.55 C ATOM 403 C LEU A 26 1.412 -1.628 6.325 1.00 0.47 C ATOM 404 O LEU A 26 2.425 -2.289 6.445 1.00 0.54 O ATOM 405 CB LEU A 26 2.114 0.132 4.656 1.00 0.69 C ATOM 406 CG LEU A 26 1.574 -0.839 3.588 1.00 0.73 C ATOM 407 CD1 LEU A 26 0.050 -0.734 3.495 1.00 1.21 C ATOM 408 CD2 LEU A 26 2.181 -0.475 2.231 1.00 1.24 C ATOM 0 H LEU A 26 3.134 -0.036 7.368 1.00 0.45 H new ATOM 0 HA LEU A 26 0.466 0.287 6.042 1.00 0.55 H new ATOM 0 HB2 LEU A 26 1.914 1.159 4.349 1.00 0.69 H new ATOM 0 HB3 LEU A 26 3.196 0.026 4.730 1.00 0.69 H new ATOM 0 HG LEU A 26 1.845 -1.858 3.865 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -0.317 -1.426 2.737 1.00 1.21 H new ATOM 0 HD12 LEU A 26 -0.392 -0.985 4.459 1.00 1.21 H new ATOM 0 HD13 LEU A 26 -0.229 0.284 3.223 1.00 1.21 H new ATOM 0 HD21 LEU A 26 1.804 -1.157 1.469 1.00 1.24 H new ATOM 0 HD22 LEU A 26 1.905 0.547 1.971 1.00 1.24 H new ATOM 0 HD23 LEU A 26 3.267 -0.555 2.285 1.00 1.24 H new ATOM 420 N TYR A 27 0.224 -2.166 6.436 1.00 0.44 N ATOM 421 CA TYR A 27 0.059 -3.625 6.717 1.00 0.38 C ATOM 422 C TYR A 27 -0.701 -4.270 5.555 1.00 0.35 C ATOM 423 O TYR A 27 -1.895 -4.081 5.390 1.00 0.38 O ATOM 424 CB TYR A 27 -0.718 -3.781 8.032 1.00 0.41 C ATOM 425 CG TYR A 27 -1.192 -5.206 8.216 1.00 0.38 C ATOM 426 CD1 TYR A 27 -0.261 -6.230 8.398 1.00 0.37 C ATOM 427 CD2 TYR A 27 -2.563 -5.500 8.220 1.00 0.42 C ATOM 428 CE1 TYR A 27 -0.694 -7.549 8.585 1.00 0.37 C ATOM 429 CE2 TYR A 27 -2.997 -6.818 8.406 1.00 0.43 C ATOM 430 CZ TYR A 27 -2.063 -7.842 8.589 1.00 0.38 C ATOM 431 OH TYR A 27 -2.490 -9.141 8.771 1.00 0.41 O ATOM 0 H TYR A 27 -0.650 -1.649 6.343 1.00 0.44 H new ATOM 0 HA TYR A 27 1.027 -4.117 6.815 1.00 0.38 H new ATOM 0 HB2 TYR A 27 -0.083 -3.494 8.870 1.00 0.41 H new ATOM 0 HB3 TYR A 27 -1.574 -3.106 8.035 1.00 0.41 H new ATOM 0 HD1 TYR A 27 0.795 -6.005 8.395 1.00 0.37 H new ATOM 0 HD2 TYR A 27 -3.285 -4.709 8.079 1.00 0.42 H new ATOM 0 HE1 TYR A 27 0.028 -8.340 8.726 1.00 0.37 H new ATOM 0 HE2 TYR A 27 -4.053 -7.044 8.408 1.00 0.43 H new ATOM 0 HH TYR A 27 -3.469 -9.170 8.748 1.00 0.41 H new ATOM 441 N LYS A 28 -0.002 -5.023 4.741 1.00 0.35 N ATOM 442 CA LYS A 28 -0.644 -5.701 3.575 1.00 0.37 C ATOM 443 C LYS A 28 -1.015 -7.129 3.991 1.00 0.38 C ATOM 444 O LYS A 28 -0.246 -7.809 4.642 1.00 0.44 O ATOM 445 CB LYS A 28 0.353 -5.729 2.394 1.00 0.47 C ATOM 446 CG LYS A 28 -0.388 -5.632 1.047 1.00 0.45 C ATOM 447 CD LYS A 28 0.580 -5.969 -0.104 1.00 0.62 C ATOM 448 CE LYS A 28 0.087 -5.353 -1.425 1.00 0.44 C ATOM 449 NZ LYS A 28 0.618 -6.148 -2.568 1.00 1.17 N ATOM 0 H LYS A 28 0.998 -5.198 4.837 1.00 0.35 H new ATOM 0 HA LYS A 28 -1.542 -5.166 3.265 1.00 0.37 H new ATOM 0 HB2 LYS A 28 1.057 -4.902 2.487 1.00 0.47 H new ATOM 0 HB3 LYS A 28 0.937 -6.649 2.427 1.00 0.47 H new ATOM 0 HG2 LYS A 28 -1.234 -6.319 1.036 1.00 0.45 H new ATOM 0 HG3 LYS A 28 -0.791 -4.628 0.914 1.00 0.45 H new ATOM 0 HD2 LYS A 28 1.576 -5.593 0.129 1.00 0.62 H new ATOM 0 HD3 LYS A 28 0.665 -7.051 -0.210 1.00 0.62 H new ATOM 0 HE2 LYS A 28 -1.003 -5.342 -1.450 1.00 0.44 H new ATOM 0 HE3 LYS A 28 0.418 -4.317 -1.503 1.00 0.44 H new ATOM 0 HZ1 LYS A 28 0.523 -5.599 -3.446 1.00 1.17 H new ATOM 0 HZ2 LYS A 28 1.621 -6.366 -2.403 1.00 1.17 H new ATOM 0 HZ3 LYS A 28 0.081 -7.034 -2.654 1.00 1.17 H new ATOM 463 N TYR A 29 -2.174 -7.598 3.622 1.00 0.39 N ATOM 464 CA TYR A 29 -2.564 -8.990 4.002 1.00 0.46 C ATOM 465 C TYR A 29 -3.568 -9.543 2.990 1.00 0.47 C ATOM 466 O TYR A 29 -4.556 -8.915 2.664 1.00 0.53 O ATOM 467 CB TYR A 29 -3.165 -9.003 5.414 1.00 0.55 C ATOM 468 CG TYR A 29 -4.539 -8.372 5.416 1.00 0.57 C ATOM 469 CD1 TYR A 29 -5.671 -9.157 5.157 1.00 0.60 C ATOM 470 CD2 TYR A 29 -4.684 -7.006 5.687 1.00 0.60 C ATOM 471 CE1 TYR A 29 -6.945 -8.576 5.169 1.00 0.68 C ATOM 472 CE2 TYR A 29 -5.958 -6.426 5.698 1.00 0.66 C ATOM 473 CZ TYR A 29 -7.088 -7.210 5.438 1.00 0.70 C ATOM 474 OH TYR A 29 -8.343 -6.636 5.450 1.00 0.80 O ATOM 0 H TYR A 29 -2.866 -7.084 3.077 1.00 0.39 H new ATOM 0 HA TYR A 29 -1.676 -9.623 3.997 1.00 0.46 H new ATOM 0 HB2 TYR A 29 -3.230 -10.029 5.778 1.00 0.55 H new ATOM 0 HB3 TYR A 29 -2.510 -8.463 6.098 1.00 0.55 H new ATOM 0 HD1 TYR A 29 -5.561 -10.211 4.948 1.00 0.60 H new ATOM 0 HD2 TYR A 29 -3.813 -6.400 5.888 1.00 0.60 H new ATOM 0 HE1 TYR A 29 -7.817 -9.182 4.971 1.00 0.68 H new ATOM 0 HE2 TYR A 29 -6.069 -5.372 5.907 1.00 0.66 H new ATOM 0 HH TYR A 29 -8.805 -6.841 4.610 1.00 0.80 H new ATOM 484 N ILE A 30 -3.306 -10.718 2.488 1.00 0.49 N ATOM 485 CA ILE A 30 -4.217 -11.337 1.487 1.00 0.53 C ATOM 486 C ILE A 30 -5.500 -11.795 2.185 1.00 0.58 C ATOM 487 O ILE A 30 -5.475 -12.614 3.082 1.00 0.65 O ATOM 488 CB ILE A 30 -3.519 -12.543 0.829 1.00 0.59 C ATOM 489 CG1 ILE A 30 -2.051 -12.202 0.477 1.00 0.73 C ATOM 490 CG2 ILE A 30 -4.261 -12.948 -0.446 1.00 0.58 C ATOM 491 CD1 ILE A 30 -1.961 -11.253 -0.729 1.00 0.81 C ATOM 0 H ILE A 30 -2.491 -11.281 2.732 1.00 0.49 H new ATOM 0 HA ILE A 30 -4.466 -10.606 0.717 1.00 0.53 H new ATOM 0 HB ILE A 30 -3.531 -13.370 1.539 1.00 0.59 H new ATOM 0 HG12 ILE A 30 -1.568 -11.742 1.339 1.00 0.73 H new ATOM 0 HG13 ILE A 30 -1.506 -13.121 0.259 1.00 0.73 H new ATOM 0 HG21 ILE A 30 -3.760 -13.801 -0.903 1.00 0.58 H new ATOM 0 HG22 ILE A 30 -5.287 -13.220 -0.199 1.00 0.58 H new ATOM 0 HG23 ILE A 30 -4.265 -12.112 -1.145 1.00 0.58 H new ATOM 0 HD11 ILE A 30 -0.915 -11.037 -0.945 1.00 0.81 H new ATOM 0 HD12 ILE A 30 -2.421 -11.724 -1.598 1.00 0.81 H new ATOM 0 HD13 ILE A 30 -2.483 -10.324 -0.501 1.00 0.81 H new ATOM 503 N ASP A 31 -6.624 -11.260 1.782 1.00 0.60 N ATOM 504 CA ASP A 31 -7.916 -11.647 2.423 1.00 0.71 C ATOM 505 C ASP A 31 -8.411 -12.972 1.826 1.00 0.77 C ATOM 506 O ASP A 31 -7.845 -13.496 0.887 1.00 0.87 O ATOM 507 CB ASP A 31 -8.965 -10.532 2.192 1.00 0.78 C ATOM 508 CG ASP A 31 -8.596 -9.712 0.952 1.00 1.33 C ATOM 509 OD1 ASP A 31 -7.489 -9.198 0.913 1.00 2.05 O ATOM 510 OD2 ASP A 31 -9.428 -9.603 0.067 1.00 1.92 O ATOM 0 H ASP A 31 -6.702 -10.570 1.035 1.00 0.60 H new ATOM 0 HA ASP A 31 -7.767 -11.776 3.495 1.00 0.71 H new ATOM 0 HB2 ASP A 31 -9.954 -10.973 2.065 1.00 0.78 H new ATOM 0 HB3 ASP A 31 -9.015 -9.882 3.066 1.00 0.78 H new ATOM 515 N SER A 32 -9.461 -13.519 2.378 1.00 1.04 N ATOM 516 CA SER A 32 -9.994 -14.814 1.865 1.00 1.16 C ATOM 517 C SER A 32 -10.552 -14.637 0.450 1.00 1.17 C ATOM 518 O SER A 32 -11.218 -15.511 -0.070 1.00 1.31 O ATOM 519 CB SER A 32 -11.113 -15.303 2.787 1.00 1.34 C ATOM 520 OG SER A 32 -10.585 -15.552 4.083 1.00 2.06 O ATOM 0 H SER A 32 -9.974 -13.123 3.165 1.00 1.04 H new ATOM 0 HA SER A 32 -9.184 -15.543 1.840 1.00 1.16 H new ATOM 0 HB2 SER A 32 -11.905 -14.556 2.843 1.00 1.34 H new ATOM 0 HB3 SER A 32 -11.560 -16.212 2.384 1.00 1.34 H new ATOM 0 HG SER A 32 -11.302 -15.864 4.674 1.00 2.06 H new ATOM 526 N PHE A 33 -10.290 -13.522 -0.183 1.00 1.06 N ATOM 527 CA PHE A 33 -10.808 -13.298 -1.566 1.00 1.13 C ATOM 528 C PHE A 33 -9.685 -13.578 -2.568 1.00 1.02 C ATOM 529 O PHE A 33 -9.923 -13.984 -3.689 1.00 1.13 O ATOM 530 CB PHE A 33 -11.266 -11.840 -1.697 1.00 1.17 C ATOM 531 CG PHE A 33 -12.666 -11.689 -1.140 1.00 1.42 C ATOM 532 CD1 PHE A 33 -13.775 -11.956 -1.952 1.00 1.66 C ATOM 533 CD2 PHE A 33 -12.852 -11.289 0.189 1.00 1.47 C ATOM 534 CE1 PHE A 33 -15.070 -11.819 -1.436 1.00 1.90 C ATOM 535 CE2 PHE A 33 -14.146 -11.154 0.705 1.00 1.73 C ATOM 536 CZ PHE A 33 -15.254 -11.420 -0.107 1.00 1.92 C ATOM 0 H PHE A 33 -9.738 -12.755 0.200 1.00 1.06 H new ATOM 0 HA PHE A 33 -11.649 -13.962 -1.766 1.00 1.13 H new ATOM 0 HB2 PHE A 33 -10.579 -11.184 -1.162 1.00 1.17 H new ATOM 0 HB3 PHE A 33 -11.247 -11.536 -2.744 1.00 1.17 H new ATOM 0 HD1 PHE A 33 -13.632 -12.268 -2.976 1.00 1.66 H new ATOM 0 HD2 PHE A 33 -11.997 -11.085 0.816 1.00 1.47 H new ATOM 0 HE1 PHE A 33 -15.926 -12.021 -2.063 1.00 1.90 H new ATOM 0 HE2 PHE A 33 -14.289 -10.845 1.730 1.00 1.73 H new ATOM 0 HZ PHE A 33 -16.252 -11.317 0.292 1.00 1.92 H new ATOM 546 N GLY A 34 -8.461 -13.356 -2.170 1.00 0.86 N ATOM 547 CA GLY A 34 -7.304 -13.598 -3.086 1.00 0.85 C ATOM 548 C GLY A 34 -6.835 -12.263 -3.659 1.00 0.75 C ATOM 549 O GLY A 34 -6.287 -12.199 -4.742 1.00 0.88 O ATOM 0 H GLY A 34 -8.209 -13.015 -1.242 1.00 0.86 H new ATOM 0 HA2 GLY A 34 -6.491 -14.082 -2.545 1.00 0.85 H new ATOM 0 HA3 GLY A 34 -7.596 -14.271 -3.892 1.00 0.85 H new ATOM 553 N GLU A 35 -7.049 -11.194 -2.935 1.00 0.66 N ATOM 554 CA GLU A 35 -6.621 -9.841 -3.420 1.00 0.67 C ATOM 555 C GLU A 35 -5.993 -9.075 -2.233 1.00 0.57 C ATOM 556 O GLU A 35 -6.675 -8.786 -1.270 1.00 0.56 O ATOM 557 CB GLU A 35 -7.853 -9.061 -3.968 1.00 0.85 C ATOM 558 CG GLU A 35 -9.129 -9.902 -3.828 1.00 1.19 C ATOM 559 CD GLU A 35 -10.297 -9.165 -4.482 1.00 1.86 C ATOM 560 OE1 GLU A 35 -10.274 -7.945 -4.486 1.00 2.45 O ATOM 561 OE2 GLU A 35 -11.195 -9.832 -4.968 1.00 2.51 O ATOM 0 H GLU A 35 -7.505 -11.198 -2.022 1.00 0.66 H new ATOM 0 HA GLU A 35 -5.892 -9.943 -4.224 1.00 0.67 H new ATOM 0 HB2 GLU A 35 -7.968 -8.123 -3.425 1.00 0.85 H new ATOM 0 HB3 GLU A 35 -7.692 -8.805 -5.015 1.00 0.85 H new ATOM 0 HG2 GLU A 35 -8.990 -10.875 -4.298 1.00 1.19 H new ATOM 0 HG3 GLU A 35 -9.344 -10.085 -2.775 1.00 1.19 H new ATOM 568 N PRO A 36 -4.716 -8.743 -2.279 1.00 0.55 N ATOM 569 CA PRO A 36 -4.058 -8.005 -1.163 1.00 0.50 C ATOM 570 C PRO A 36 -4.936 -6.868 -0.621 1.00 0.50 C ATOM 571 O PRO A 36 -5.750 -6.311 -1.332 1.00 0.66 O ATOM 572 CB PRO A 36 -2.778 -7.459 -1.799 1.00 0.59 C ATOM 573 CG PRO A 36 -2.432 -8.447 -2.869 1.00 0.66 C ATOM 574 CD PRO A 36 -3.762 -9.023 -3.374 1.00 0.64 C ATOM 0 HA PRO A 36 -3.870 -8.645 -0.301 1.00 0.50 H new ATOM 0 HB2 PRO A 36 -2.936 -6.464 -2.215 1.00 0.59 H new ATOM 0 HB3 PRO A 36 -1.977 -7.374 -1.065 1.00 0.59 H new ATOM 0 HG2 PRO A 36 -1.885 -7.966 -3.679 1.00 0.66 H new ATOM 0 HG3 PRO A 36 -1.791 -9.236 -2.476 1.00 0.66 H new ATOM 0 HD2 PRO A 36 -4.074 -8.549 -4.305 1.00 0.64 H new ATOM 0 HD3 PRO A 36 -3.684 -10.092 -3.571 1.00 0.64 H new ATOM 582 N GLN A 37 -4.776 -6.528 0.636 1.00 0.42 N ATOM 583 CA GLN A 37 -5.595 -5.433 1.251 1.00 0.46 C ATOM 584 C GLN A 37 -4.662 -4.418 1.925 1.00 0.41 C ATOM 585 O GLN A 37 -3.738 -4.781 2.621 1.00 0.49 O ATOM 586 CB GLN A 37 -6.543 -6.046 2.292 1.00 0.52 C ATOM 587 CG GLN A 37 -7.514 -4.964 2.847 1.00 0.63 C ATOM 588 CD GLN A 37 -8.962 -5.464 2.778 1.00 1.07 C ATOM 589 OE1 GLN A 37 -9.651 -5.513 3.777 1.00 1.79 O ATOM 590 NE2 GLN A 37 -9.451 -5.837 1.629 1.00 1.83 N ATOM 0 H GLN A 37 -4.107 -6.966 1.269 1.00 0.42 H new ATOM 0 HA GLN A 37 -6.178 -4.925 0.483 1.00 0.46 H new ATOM 0 HB2 GLN A 37 -7.113 -6.858 1.840 1.00 0.52 H new ATOM 0 HB3 GLN A 37 -5.965 -6.478 3.109 1.00 0.52 H new ATOM 0 HG2 GLN A 37 -7.253 -4.726 3.878 1.00 0.63 H new ATOM 0 HG3 GLN A 37 -7.412 -4.044 2.271 1.00 0.63 H new ATOM 0 HE21 GLN A 37 -8.872 -5.796 0.791 1.00 1.83 H new ATOM 0 HE22 GLN A 37 -10.413 -6.170 1.568 1.00 1.83 H new ATOM 599 N PHE A 38 -4.886 -3.145 1.702 1.00 0.38 N ATOM 600 CA PHE A 38 -3.998 -2.093 2.301 1.00 0.36 C ATOM 601 C PHE A 38 -4.619 -1.486 3.572 1.00 0.35 C ATOM 602 O PHE A 38 -5.765 -1.081 3.588 1.00 0.40 O ATOM 603 CB PHE A 38 -3.806 -0.960 1.266 1.00 0.42 C ATOM 604 CG PHE A 38 -2.591 -1.214 0.396 1.00 0.46 C ATOM 605 CD1 PHE A 38 -2.616 -2.227 -0.565 1.00 0.54 C ATOM 606 CD2 PHE A 38 -1.447 -0.418 0.541 1.00 0.60 C ATOM 607 CE1 PHE A 38 -1.501 -2.443 -1.377 1.00 0.59 C ATOM 608 CE2 PHE A 38 -0.330 -0.639 -0.270 1.00 0.67 C ATOM 609 CZ PHE A 38 -0.358 -1.651 -1.231 1.00 0.60 C ATOM 0 H PHE A 38 -5.649 -2.786 1.128 1.00 0.38 H new ATOM 0 HA PHE A 38 -3.048 -2.558 2.566 1.00 0.36 H new ATOM 0 HB2 PHE A 38 -4.695 -0.881 0.640 1.00 0.42 H new ATOM 0 HB3 PHE A 38 -3.694 -0.007 1.783 1.00 0.42 H new ATOM 0 HD1 PHE A 38 -3.496 -2.842 -0.680 1.00 0.54 H new ATOM 0 HD2 PHE A 38 -1.428 0.368 1.281 1.00 0.60 H new ATOM 0 HE1 PHE A 38 -1.521 -3.225 -2.121 1.00 0.59 H new ATOM 0 HE2 PHE A 38 0.553 -0.028 -0.153 1.00 0.67 H new ATOM 0 HZ PHE A 38 0.502 -1.822 -1.861 1.00 0.60 H new ATOM 619 N VAL A 39 -3.830 -1.364 4.613 1.00 0.33 N ATOM 620 CA VAL A 39 -4.305 -0.716 5.879 1.00 0.33 C ATOM 621 C VAL A 39 -3.262 0.349 6.243 1.00 0.32 C ATOM 622 O VAL A 39 -2.102 0.043 6.439 1.00 0.35 O ATOM 623 CB VAL A 39 -4.412 -1.749 7.004 1.00 0.34 C ATOM 624 CG1 VAL A 39 -4.891 -1.066 8.289 1.00 0.36 C ATOM 625 CG2 VAL A 39 -5.410 -2.839 6.612 1.00 0.48 C ATOM 0 H VAL A 39 -2.864 -1.690 4.640 1.00 0.33 H new ATOM 0 HA VAL A 39 -5.293 -0.276 5.743 1.00 0.33 H new ATOM 0 HB VAL A 39 -3.432 -2.195 7.171 1.00 0.34 H new ATOM 0 HG11 VAL A 39 -4.966 -1.804 9.087 1.00 0.36 H new ATOM 0 HG12 VAL A 39 -4.180 -0.292 8.576 1.00 0.36 H new ATOM 0 HG13 VAL A 39 -5.869 -0.615 8.119 1.00 0.36 H new ATOM 0 HG21 VAL A 39 -5.483 -3.572 7.416 1.00 0.48 H new ATOM 0 HG22 VAL A 39 -6.389 -2.391 6.440 1.00 0.48 H new ATOM 0 HG23 VAL A 39 -5.071 -3.332 5.701 1.00 0.48 H new ATOM 635 N TYR A 40 -3.649 1.603 6.287 1.00 0.36 N ATOM 636 CA TYR A 40 -2.659 2.695 6.583 1.00 0.37 C ATOM 637 C TYR A 40 -2.796 3.197 8.019 1.00 0.35 C ATOM 638 O TYR A 40 -3.811 3.022 8.664 1.00 0.40 O ATOM 639 CB TYR A 40 -2.922 3.873 5.638 1.00 0.47 C ATOM 640 CG TYR A 40 -2.440 3.535 4.253 1.00 0.50 C ATOM 641 CD1 TYR A 40 -1.104 3.756 3.907 1.00 0.60 C ATOM 642 CD2 TYR A 40 -3.330 3.006 3.313 1.00 0.53 C ATOM 643 CE1 TYR A 40 -0.656 3.448 2.620 1.00 0.67 C ATOM 644 CE2 TYR A 40 -2.883 2.698 2.024 1.00 0.58 C ATOM 645 CZ TYR A 40 -1.545 2.920 1.677 1.00 0.63 C ATOM 646 OH TYR A 40 -1.103 2.617 0.406 1.00 0.72 O ATOM 0 H TYR A 40 -4.606 1.919 6.131 1.00 0.36 H new ATOM 0 HA TYR A 40 -1.656 2.291 6.445 1.00 0.37 H new ATOM 0 HB2 TYR A 40 -3.987 4.102 5.616 1.00 0.47 H new ATOM 0 HB3 TYR A 40 -2.412 4.764 6.003 1.00 0.47 H new ATOM 0 HD1 TYR A 40 -0.418 4.165 4.634 1.00 0.60 H new ATOM 0 HD2 TYR A 40 -4.362 2.835 3.582 1.00 0.53 H new ATOM 0 HE1 TYR A 40 0.377 3.617 2.353 1.00 0.67 H new ATOM 0 HE2 TYR A 40 -3.569 2.289 1.297 1.00 0.58 H new ATOM 0 HH TYR A 40 -0.947 1.652 0.335 1.00 0.72 H new ATOM 656 N SER A 41 -1.765 3.836 8.510 1.00 0.35 N ATOM 657 CA SER A 41 -1.798 4.379 9.898 1.00 0.37 C ATOM 658 C SER A 41 -0.473 5.094 10.190 1.00 0.39 C ATOM 659 O SER A 41 0.469 4.993 9.431 1.00 0.60 O ATOM 660 CB SER A 41 -1.981 3.231 10.877 1.00 0.36 C ATOM 661 OG SER A 41 -1.647 3.670 12.186 1.00 0.92 O ATOM 0 H SER A 41 -0.896 4.005 8.003 1.00 0.35 H new ATOM 0 HA SER A 41 -2.623 5.083 10.002 1.00 0.37 H new ATOM 0 HB2 SER A 41 -3.012 2.878 10.852 1.00 0.36 H new ATOM 0 HB3 SER A 41 -1.349 2.390 10.591 1.00 0.36 H new ATOM 0 HG SER A 41 -2.367 3.429 12.805 1.00 0.92 H new ATOM 667 N TRP A 42 -0.394 5.814 11.286 1.00 0.35 N ATOM 668 CA TRP A 42 0.868 6.544 11.637 1.00 0.37 C ATOM 669 C TRP A 42 1.401 6.015 12.972 1.00 0.37 C ATOM 670 O TRP A 42 2.593 5.944 13.196 1.00 0.40 O ATOM 671 CB TRP A 42 0.549 8.036 11.786 1.00 0.40 C ATOM 672 CG TRP A 42 0.413 8.674 10.441 1.00 0.41 C ATOM 673 CD1 TRP A 42 -0.759 9.039 9.873 1.00 0.45 C ATOM 674 CD2 TRP A 42 1.460 9.036 9.493 1.00 0.43 C ATOM 675 NE1 TRP A 42 -0.499 9.604 8.638 1.00 0.48 N ATOM 676 CE2 TRP A 42 0.853 9.625 8.358 1.00 0.46 C ATOM 677 CE3 TRP A 42 2.862 8.913 9.505 1.00 0.44 C ATOM 678 CZ2 TRP A 42 1.609 10.076 7.277 1.00 0.49 C ATOM 679 CZ3 TRP A 42 3.626 9.366 8.416 1.00 0.48 C ATOM 680 CH2 TRP A 42 3.000 9.947 7.305 1.00 0.50 C ATOM 0 H TRP A 42 -1.154 5.928 11.956 1.00 0.35 H new ATOM 0 HA TRP A 42 1.614 6.394 10.856 1.00 0.37 H new ATOM 0 HB2 TRP A 42 -0.374 8.163 12.351 1.00 0.40 H new ATOM 0 HB3 TRP A 42 1.339 8.529 12.352 1.00 0.40 H new ATOM 0 HD1 TRP A 42 -1.737 8.910 10.312 1.00 0.45 H new ATOM 0 HE1 TRP A 42 -1.219 9.962 8.010 1.00 0.48 H new ATOM 0 HE3 TRP A 42 3.354 8.467 10.357 1.00 0.44 H new ATOM 0 HZ2 TRP A 42 1.122 10.523 6.423 1.00 0.49 H new ATOM 0 HZ3 TRP A 42 4.701 9.266 8.435 1.00 0.48 H new ATOM 0 HH2 TRP A 42 3.592 10.295 6.471 1.00 0.50 H new ATOM 691 N LYS A 43 0.518 5.662 13.868 1.00 0.36 N ATOM 692 CA LYS A 43 0.948 5.155 15.205 1.00 0.38 C ATOM 693 C LYS A 43 1.010 3.626 15.183 1.00 0.37 C ATOM 694 O LYS A 43 0.050 2.967 14.836 1.00 0.40 O ATOM 695 CB LYS A 43 -0.074 5.597 16.265 1.00 0.42 C ATOM 696 CG LYS A 43 -0.293 7.120 16.199 1.00 0.43 C ATOM 697 CD LYS A 43 -1.661 7.496 16.805 1.00 0.51 C ATOM 698 CE LYS A 43 -1.899 6.756 18.125 1.00 1.07 C ATOM 699 NZ LYS A 43 -2.873 7.528 18.947 1.00 2.03 N ATOM 0 H LYS A 43 -0.492 5.703 13.730 1.00 0.36 H new ATOM 0 HA LYS A 43 1.933 5.557 15.443 1.00 0.38 H new ATOM 0 HB2 LYS A 43 -1.020 5.080 16.105 1.00 0.42 H new ATOM 0 HB3 LYS A 43 0.278 5.317 17.258 1.00 0.42 H new ATOM 0 HG2 LYS A 43 0.504 7.632 16.739 1.00 0.43 H new ATOM 0 HG3 LYS A 43 -0.243 7.456 15.163 1.00 0.43 H new ATOM 0 HD2 LYS A 43 -1.704 8.572 16.974 1.00 0.51 H new ATOM 0 HD3 LYS A 43 -2.455 7.252 16.099 1.00 0.51 H new ATOM 0 HE2 LYS A 43 -2.282 5.754 17.931 1.00 1.07 H new ATOM 0 HE3 LYS A 43 -0.960 6.639 18.666 1.00 1.07 H new ATOM 0 HZ1 LYS A 43 -3.040 7.031 19.845 1.00 2.03 H new ATOM 0 HZ2 LYS A 43 -2.490 8.475 19.141 1.00 2.03 H new ATOM 0 HZ3 LYS A 43 -3.770 7.617 18.429 1.00 2.03 H new ATOM 713 N LEU A 44 2.119 3.050 15.567 1.00 0.41 N ATOM 714 CA LEU A 44 2.204 1.562 15.578 1.00 0.42 C ATOM 715 C LEU A 44 1.358 1.052 16.740 1.00 0.44 C ATOM 716 O LEU A 44 0.721 0.024 16.654 1.00 0.47 O ATOM 717 CB LEU A 44 3.663 1.116 15.754 1.00 0.50 C ATOM 718 CG LEU A 44 3.746 -0.420 15.823 1.00 0.51 C ATOM 719 CD1 LEU A 44 3.153 -1.048 14.551 1.00 0.53 C ATOM 720 CD2 LEU A 44 5.213 -0.839 15.965 1.00 0.69 C ATOM 0 H LEU A 44 2.961 3.540 15.870 1.00 0.41 H new ATOM 0 HA LEU A 44 1.837 1.157 14.635 1.00 0.42 H new ATOM 0 HB2 LEU A 44 4.266 1.483 14.923 1.00 0.50 H new ATOM 0 HB3 LEU A 44 4.076 1.551 16.664 1.00 0.50 H new ATOM 0 HG LEU A 44 3.174 -0.768 16.683 1.00 0.51 H new ATOM 0 HD11 LEU A 44 3.220 -2.134 14.616 1.00 0.53 H new ATOM 0 HD12 LEU A 44 2.108 -0.754 14.453 1.00 0.53 H new ATOM 0 HD13 LEU A 44 3.710 -0.702 13.681 1.00 0.53 H new ATOM 0 HD21 LEU A 44 5.278 -1.926 16.014 1.00 0.69 H new ATOM 0 HD22 LEU A 44 5.779 -0.480 15.105 1.00 0.69 H new ATOM 0 HD23 LEU A 44 5.628 -0.409 16.877 1.00 0.69 H new ATOM 732 N VAL A 45 1.328 1.789 17.820 1.00 0.46 N ATOM 733 CA VAL A 45 0.506 1.389 19.002 1.00 0.48 C ATOM 734 C VAL A 45 -0.214 2.634 19.505 1.00 0.49 C ATOM 735 O VAL A 45 0.224 3.746 19.286 1.00 0.50 O ATOM 736 CB VAL A 45 1.402 0.801 20.107 1.00 0.55 C ATOM 737 CG1 VAL A 45 2.412 -0.173 19.490 1.00 0.60 C ATOM 738 CG2 VAL A 45 2.151 1.929 20.833 1.00 0.61 C ATOM 0 H VAL A 45 1.844 2.661 17.935 1.00 0.46 H new ATOM 0 HA VAL A 45 -0.215 0.621 18.721 1.00 0.48 H new ATOM 0 HB VAL A 45 0.777 0.269 20.824 1.00 0.55 H new ATOM 0 HG11 VAL A 45 3.044 -0.587 20.275 1.00 0.60 H new ATOM 0 HG12 VAL A 45 1.879 -0.981 18.989 1.00 0.60 H new ATOM 0 HG13 VAL A 45 3.032 0.356 18.766 1.00 0.60 H new ATOM 0 HG21 VAL A 45 2.782 1.503 21.613 1.00 0.61 H new ATOM 0 HG22 VAL A 45 2.771 2.472 20.120 1.00 0.61 H new ATOM 0 HG23 VAL A 45 1.431 2.613 21.282 1.00 0.61 H new ATOM 748 N ALA A 46 -1.328 2.465 20.144 1.00 0.51 N ATOM 749 CA ALA A 46 -2.083 3.649 20.614 1.00 0.54 C ATOM 750 C ALA A 46 -1.325 4.338 21.748 1.00 0.58 C ATOM 751 O ALA A 46 -1.774 4.398 22.875 1.00 0.64 O ATOM 752 CB ALA A 46 -3.475 3.206 21.065 1.00 0.59 C ATOM 0 H ALA A 46 -1.749 1.562 20.361 1.00 0.51 H new ATOM 0 HA ALA A 46 -2.191 4.369 19.803 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -4.038 4.072 21.413 1.00 0.59 H new ATOM 0 HB2 ALA A 46 -3.999 2.745 20.228 1.00 0.59 H new ATOM 0 HB3 ALA A 46 -3.382 2.484 21.876 1.00 0.59 H new ATOM 758 N THR A 47 -0.178 4.877 21.435 1.00 0.57 N ATOM 759 CA THR A 47 0.633 5.593 22.458 1.00 0.63 C ATOM 760 C THR A 47 1.474 6.663 21.758 1.00 0.64 C ATOM 761 O THR A 47 1.765 7.704 22.311 1.00 0.71 O ATOM 762 CB THR A 47 1.552 4.604 23.177 1.00 0.68 C ATOM 763 OG1 THR A 47 0.815 3.437 23.514 1.00 1.01 O ATOM 764 CG2 THR A 47 2.096 5.250 24.449 1.00 1.34 C ATOM 0 H THR A 47 0.235 4.851 20.503 1.00 0.57 H new ATOM 0 HA THR A 47 -0.025 6.059 23.191 1.00 0.63 H new ATOM 0 HB THR A 47 2.382 4.334 22.524 1.00 0.68 H new ATOM 0 HG1 THR A 47 1.402 2.801 23.974 1.00 1.01 H new ATOM 0 HG21 THR A 47 2.751 4.547 24.963 1.00 1.34 H new ATOM 0 HG22 THR A 47 2.659 6.147 24.190 1.00 1.34 H new ATOM 0 HG23 THR A 47 1.267 5.518 25.104 1.00 1.34 H new ATOM 772 N ASP A 48 1.864 6.405 20.539 1.00 0.59 N ATOM 773 CA ASP A 48 2.687 7.384 19.778 1.00 0.62 C ATOM 774 C ASP A 48 1.852 8.631 19.453 1.00 0.63 C ATOM 775 O ASP A 48 0.807 8.858 20.031 1.00 0.67 O ATOM 776 CB ASP A 48 3.154 6.717 18.479 1.00 0.57 C ATOM 777 CG ASP A 48 4.343 5.798 18.771 1.00 0.70 C ATOM 778 OD1 ASP A 48 4.240 5.003 19.690 1.00 1.43 O ATOM 779 OD2 ASP A 48 5.337 5.908 18.072 1.00 1.20 O ATOM 0 H ASP A 48 1.644 5.547 20.034 1.00 0.59 H new ATOM 0 HA ASP A 48 3.548 7.689 20.373 1.00 0.62 H new ATOM 0 HB2 ASP A 48 2.338 6.144 18.039 1.00 0.57 H new ATOM 0 HB3 ASP A 48 3.439 7.476 17.751 1.00 0.57 H new ATOM 784 N ARG A 49 2.313 9.440 18.527 1.00 0.63 N ATOM 785 CA ARG A 49 1.568 10.682 18.139 1.00 0.68 C ATOM 786 C ARG A 49 1.434 10.724 16.612 1.00 0.58 C ATOM 787 O ARG A 49 1.564 9.716 15.949 1.00 0.58 O ATOM 788 CB ARG A 49 2.353 11.909 18.611 1.00 0.85 C ATOM 789 CG ARG A 49 2.270 12.024 20.140 1.00 0.99 C ATOM 790 CD ARG A 49 0.847 12.414 20.583 1.00 1.36 C ATOM 791 NE ARG A 49 0.932 13.230 21.828 1.00 1.88 N ATOM 792 CZ ARG A 49 -0.105 13.908 22.239 1.00 2.40 C ATOM 793 NH1 ARG A 49 -1.226 13.854 21.572 1.00 2.80 N ATOM 794 NH2 ARG A 49 -0.021 14.639 23.316 1.00 3.01 N ATOM 0 H ARG A 49 3.184 9.291 18.018 1.00 0.63 H new ATOM 0 HA ARG A 49 0.580 10.682 18.599 1.00 0.68 H new ATOM 0 HB2 ARG A 49 3.394 11.828 18.299 1.00 0.85 H new ATOM 0 HB3 ARG A 49 1.951 12.810 18.147 1.00 0.85 H new ATOM 0 HG2 ARG A 49 2.550 11.075 20.596 1.00 0.99 H new ATOM 0 HG3 ARG A 49 2.983 12.770 20.492 1.00 0.99 H new ATOM 0 HD2 ARG A 49 0.349 12.980 19.795 1.00 1.36 H new ATOM 0 HD3 ARG A 49 0.249 11.520 20.759 1.00 1.36 H new ATOM 0 HE ARG A 49 1.802 13.258 22.360 1.00 1.88 H new ATOM 0 HH11 ARG A 49 -1.291 13.282 20.730 1.00 2.80 H new ATOM 0 HH12 ARG A 49 -2.036 14.384 21.893 1.00 2.80 H new ATOM 0 HH21 ARG A 49 0.855 14.681 23.837 1.00 3.01 H new ATOM 0 HH22 ARG A 49 -0.831 15.169 23.637 1.00 3.01 H new ATOM 808 N VAL A 50 1.183 11.879 16.044 1.00 0.76 N ATOM 809 CA VAL A 50 1.047 11.972 14.555 1.00 0.69 C ATOM 810 C VAL A 50 1.330 13.420 14.106 1.00 0.69 C ATOM 811 O VAL A 50 0.687 14.340 14.571 1.00 0.70 O ATOM 812 CB VAL A 50 -0.384 11.601 14.129 1.00 0.67 C ATOM 813 CG1 VAL A 50 -0.650 10.128 14.431 1.00 0.76 C ATOM 814 CG2 VAL A 50 -1.403 12.475 14.879 1.00 0.71 C ATOM 0 H VAL A 50 1.067 12.760 16.545 1.00 0.76 H new ATOM 0 HA VAL A 50 1.756 11.284 14.094 1.00 0.69 H new ATOM 0 HB VAL A 50 -0.488 11.774 13.058 1.00 0.67 H new ATOM 0 HG11 VAL A 50 -1.665 9.872 14.127 1.00 0.76 H new ATOM 0 HG12 VAL A 50 0.060 9.510 13.882 1.00 0.76 H new ATOM 0 HG13 VAL A 50 -0.535 9.949 15.500 1.00 0.76 H new ATOM 0 HG21 VAL A 50 -2.412 12.204 14.570 1.00 0.71 H new ATOM 0 HG22 VAL A 50 -1.298 12.317 15.952 1.00 0.71 H new ATOM 0 HG23 VAL A 50 -1.222 13.525 14.647 1.00 0.71 H new ATOM 824 N PRO A 51 2.271 13.642 13.207 1.00 0.75 N ATOM 825 CA PRO A 51 2.585 15.016 12.722 1.00 0.83 C ATOM 826 C PRO A 51 1.326 15.842 12.453 1.00 0.81 C ATOM 827 O PRO A 51 0.398 15.394 11.810 1.00 0.82 O ATOM 828 CB PRO A 51 3.363 14.772 11.427 1.00 0.90 C ATOM 829 CG PRO A 51 4.050 13.460 11.635 1.00 0.95 C ATOM 830 CD PRO A 51 3.140 12.636 12.559 1.00 0.83 C ATOM 0 HA PRO A 51 3.143 15.591 13.462 1.00 0.83 H new ATOM 0 HB2 PRO A 51 2.696 14.737 10.566 1.00 0.90 H new ATOM 0 HB3 PRO A 51 4.082 15.570 11.241 1.00 0.90 H new ATOM 0 HG2 PRO A 51 4.205 12.948 10.685 1.00 0.95 H new ATOM 0 HG3 PRO A 51 5.033 13.603 12.084 1.00 0.95 H new ATOM 0 HD2 PRO A 51 2.555 11.909 11.996 1.00 0.83 H new ATOM 0 HD3 PRO A 51 3.720 12.078 13.294 1.00 0.83 H new ATOM 838 N ALA A 52 1.299 17.046 12.939 1.00 0.90 N ATOM 839 CA ALA A 52 0.117 17.917 12.717 1.00 0.98 C ATOM 840 C ALA A 52 -0.231 17.934 11.225 1.00 1.05 C ATOM 841 O ALA A 52 0.634 17.844 10.376 1.00 1.61 O ATOM 842 CB ALA A 52 0.458 19.328 13.189 1.00 1.16 C ATOM 0 H ALA A 52 2.050 17.468 13.485 1.00 0.90 H new ATOM 0 HA ALA A 52 -0.740 17.539 13.274 1.00 0.98 H new ATOM 0 HB1 ALA A 52 -0.400 19.981 13.033 1.00 1.16 H new ATOM 0 HB2 ALA A 52 0.709 19.306 14.249 1.00 1.16 H new ATOM 0 HB3 ALA A 52 1.309 19.706 12.622 1.00 1.16 H new ATOM 848 N GLY A 53 -1.493 18.043 10.899 1.00 0.94 N ATOM 849 CA GLY A 53 -1.907 18.061 9.461 1.00 0.97 C ATOM 850 C GLY A 53 -2.358 16.657 9.049 1.00 0.85 C ATOM 851 O GLY A 53 -3.058 16.478 8.073 1.00 0.88 O ATOM 0 H GLY A 53 -2.259 18.121 11.568 1.00 0.94 H new ATOM 0 HA2 GLY A 53 -2.718 18.774 9.313 1.00 0.97 H new ATOM 0 HA3 GLY A 53 -1.076 18.387 8.835 1.00 0.97 H new ATOM 855 N LYS A 54 -1.961 15.661 9.792 1.00 0.76 N ATOM 856 CA LYS A 54 -2.358 14.263 9.463 1.00 0.67 C ATOM 857 C LYS A 54 -3.707 13.952 10.122 1.00 0.63 C ATOM 858 O LYS A 54 -4.065 14.533 11.127 1.00 0.66 O ATOM 859 CB LYS A 54 -1.286 13.308 10.008 1.00 0.66 C ATOM 860 CG LYS A 54 -0.079 13.238 9.059 1.00 0.88 C ATOM 861 CD LYS A 54 0.351 14.640 8.601 1.00 0.80 C ATOM 862 CE LYS A 54 1.669 14.535 7.829 1.00 0.81 C ATOM 863 NZ LYS A 54 2.204 15.902 7.572 1.00 1.71 N ATOM 0 H LYS A 54 -1.373 15.757 10.620 1.00 0.76 H new ATOM 0 HA LYS A 54 -2.449 14.141 8.384 1.00 0.67 H new ATOM 0 HB2 LYS A 54 -0.960 13.644 10.992 1.00 0.66 H new ATOM 0 HB3 LYS A 54 -1.711 12.313 10.136 1.00 0.66 H new ATOM 0 HG2 LYS A 54 0.754 12.746 9.561 1.00 0.88 H new ATOM 0 HG3 LYS A 54 -0.331 12.630 8.190 1.00 0.88 H new ATOM 0 HD2 LYS A 54 -0.420 15.082 7.970 1.00 0.80 H new ATOM 0 HD3 LYS A 54 0.472 15.296 9.463 1.00 0.80 H new ATOM 0 HE2 LYS A 54 2.392 13.951 8.399 1.00 0.81 H new ATOM 0 HE3 LYS A 54 1.510 14.012 6.886 1.00 0.81 H new ATOM 0 HZ1 LYS A 54 3.099 15.831 7.048 1.00 1.71 H new ATOM 0 HZ2 LYS A 54 1.516 16.444 7.011 1.00 1.71 H new ATOM 0 HZ3 LYS A 54 2.370 16.386 8.478 1.00 1.71 H new ATOM 877 N ARG A 55 -4.457 13.040 9.562 1.00 0.60 N ATOM 878 CA ARG A 55 -5.779 12.693 10.156 1.00 0.60 C ATOM 879 C ARG A 55 -5.573 11.724 11.321 1.00 0.58 C ATOM 880 O ARG A 55 -4.945 10.694 11.182 1.00 0.71 O ATOM 881 CB ARG A 55 -6.660 12.030 9.090 1.00 0.65 C ATOM 882 CG ARG A 55 -6.685 12.894 7.799 1.00 0.89 C ATOM 883 CD ARG A 55 -8.119 13.030 7.276 1.00 0.84 C ATOM 884 NE ARG A 55 -8.693 11.676 7.033 1.00 1.73 N ATOM 885 CZ ARG A 55 -9.978 11.534 6.858 1.00 2.45 C ATOM 886 NH1 ARG A 55 -10.760 12.579 6.883 1.00 2.53 N ATOM 887 NH2 ARG A 55 -10.482 10.348 6.654 1.00 3.40 N ATOM 0 H ARG A 55 -4.210 12.521 8.719 1.00 0.60 H new ATOM 0 HA ARG A 55 -6.266 13.599 10.517 1.00 0.60 H new ATOM 0 HB2 ARG A 55 -6.280 11.034 8.862 1.00 0.65 H new ATOM 0 HB3 ARG A 55 -7.673 11.905 9.472 1.00 0.65 H new ATOM 0 HG2 ARG A 55 -6.271 13.881 8.006 1.00 0.89 H new ATOM 0 HG3 ARG A 55 -6.054 12.438 7.036 1.00 0.89 H new ATOM 0 HD2 ARG A 55 -8.730 13.571 7.998 1.00 0.84 H new ATOM 0 HD3 ARG A 55 -8.127 13.610 6.353 1.00 0.84 H new ATOM 0 HE ARG A 55 -8.081 10.860 7.004 1.00 1.73 H new ATOM 0 HH11 ARG A 55 -10.366 13.507 7.039 1.00 2.53 H new ATOM 0 HH12 ARG A 55 -11.765 12.468 6.746 1.00 2.53 H new ATOM 0 HH21 ARG A 55 -9.871 9.531 6.631 1.00 3.40 H new ATOM 0 HH22 ARG A 55 -11.487 10.237 6.517 1.00 3.40 H new ATOM 901 N ASP A 56 -6.096 12.049 12.472 1.00 0.61 N ATOM 902 CA ASP A 56 -5.928 11.150 13.647 1.00 0.62 C ATOM 903 C ASP A 56 -6.456 9.755 13.307 1.00 0.59 C ATOM 904 O ASP A 56 -7.289 9.588 12.439 1.00 0.61 O ATOM 905 CB ASP A 56 -6.706 11.720 14.836 1.00 0.73 C ATOM 906 CG ASP A 56 -8.075 12.207 14.363 1.00 1.61 C ATOM 907 OD1 ASP A 56 -8.621 11.595 13.460 1.00 2.40 O ATOM 908 OD2 ASP A 56 -8.553 13.186 14.911 1.00 2.29 O ATOM 0 H ASP A 56 -6.632 12.899 12.649 1.00 0.61 H new ATOM 0 HA ASP A 56 -4.871 11.080 13.904 1.00 0.62 H new ATOM 0 HB2 ASP A 56 -6.825 10.957 15.605 1.00 0.73 H new ATOM 0 HB3 ASP A 56 -6.151 12.543 15.286 1.00 0.73 H new ATOM 913 N ALA A 57 -5.974 8.751 13.985 1.00 0.58 N ATOM 914 CA ALA A 57 -6.444 7.368 13.703 1.00 0.58 C ATOM 915 C ALA A 57 -5.948 6.443 14.809 1.00 0.60 C ATOM 916 O ALA A 57 -4.987 6.744 15.489 1.00 0.84 O ATOM 917 CB ALA A 57 -5.865 6.896 12.365 1.00 0.56 C ATOM 0 H ALA A 57 -5.274 8.830 14.723 1.00 0.58 H new ATOM 0 HA ALA A 57 -7.533 7.352 13.658 1.00 0.58 H new ATOM 0 HB1 ALA A 57 -6.209 5.883 12.157 1.00 0.56 H new ATOM 0 HB2 ALA A 57 -6.198 7.562 11.569 1.00 0.56 H new ATOM 0 HB3 ALA A 57 -4.776 6.907 12.416 1.00 0.56 H new ATOM 923 N ILE A 58 -6.567 5.310 14.987 1.00 0.52 N ATOM 924 CA ILE A 58 -6.080 4.386 16.036 1.00 0.53 C ATOM 925 C ILE A 58 -4.759 3.815 15.556 1.00 0.59 C ATOM 926 O ILE A 58 -4.363 4.016 14.424 1.00 1.01 O ATOM 927 CB ILE A 58 -7.080 3.245 16.253 1.00 0.53 C ATOM 928 CG1 ILE A 58 -7.186 2.384 14.976 1.00 0.56 C ATOM 929 CG2 ILE A 58 -8.453 3.824 16.593 1.00 0.53 C ATOM 930 CD1 ILE A 58 -8.296 1.320 15.110 1.00 0.58 C ATOM 0 H ILE A 58 -7.378 4.991 14.457 1.00 0.52 H new ATOM 0 HA ILE A 58 -5.962 4.917 16.981 1.00 0.53 H new ATOM 0 HB ILE A 58 -6.733 2.621 17.077 1.00 0.53 H new ATOM 0 HG12 ILE A 58 -7.394 3.024 14.119 1.00 0.56 H new ATOM 0 HG13 ILE A 58 -6.231 1.895 14.784 1.00 0.56 H new ATOM 0 HG21 ILE A 58 -9.163 3.011 16.747 1.00 0.53 H new ATOM 0 HG22 ILE A 58 -8.381 4.420 17.503 1.00 0.53 H new ATOM 0 HG23 ILE A 58 -8.796 4.454 15.772 1.00 0.53 H new ATOM 0 HD11 ILE A 58 -8.346 0.730 14.195 1.00 0.58 H new ATOM 0 HD12 ILE A 58 -8.073 0.665 15.953 1.00 0.58 H new ATOM 0 HD13 ILE A 58 -9.254 1.813 15.277 1.00 0.58 H new ATOM 942 N SER A 59 -4.074 3.101 16.388 1.00 0.42 N ATOM 943 CA SER A 59 -2.784 2.519 15.957 1.00 0.41 C ATOM 944 C SER A 59 -3.061 1.310 15.071 1.00 0.39 C ATOM 945 O SER A 59 -3.990 0.562 15.301 1.00 0.43 O ATOM 946 CB SER A 59 -1.999 2.110 17.193 1.00 0.44 C ATOM 947 OG SER A 59 -2.279 0.753 17.505 1.00 1.16 O ATOM 0 H SER A 59 -4.349 2.894 17.348 1.00 0.42 H new ATOM 0 HA SER A 59 -2.201 3.244 15.390 1.00 0.41 H new ATOM 0 HB2 SER A 59 -0.931 2.241 17.018 1.00 0.44 H new ATOM 0 HB3 SER A 59 -2.265 2.750 18.034 1.00 0.44 H new ATOM 0 HG SER A 59 -2.325 0.644 18.478 1.00 1.16 H new ATOM 953 N LEU A 60 -2.276 1.127 14.048 1.00 0.41 N ATOM 954 CA LEU A 60 -2.501 -0.021 13.126 1.00 0.42 C ATOM 955 C LEU A 60 -2.762 -1.290 13.942 1.00 0.43 C ATOM 956 O LEU A 60 -3.508 -2.161 13.538 1.00 0.52 O ATOM 957 CB LEU A 60 -1.247 -0.214 12.256 1.00 0.49 C ATOM 958 CG LEU A 60 -1.580 -0.984 10.947 1.00 0.75 C ATOM 959 CD1 LEU A 60 -0.707 -0.465 9.790 1.00 1.06 C ATOM 960 CD2 LEU A 60 -1.320 -2.480 11.149 1.00 1.49 C ATOM 0 H LEU A 60 -1.485 1.725 13.809 1.00 0.41 H new ATOM 0 HA LEU A 60 -3.364 0.178 12.490 1.00 0.42 H new ATOM 0 HB2 LEU A 60 -0.820 0.758 12.010 1.00 0.49 H new ATOM 0 HB3 LEU A 60 -0.491 -0.761 12.820 1.00 0.49 H new ATOM 0 HG LEU A 60 -2.630 -0.825 10.702 1.00 0.75 H new ATOM 0 HD11 LEU A 60 -0.949 -1.011 8.878 1.00 1.06 H new ATOM 0 HD12 LEU A 60 -0.898 0.597 9.638 1.00 1.06 H new ATOM 0 HD13 LEU A 60 0.345 -0.613 10.033 1.00 1.06 H new ATOM 0 HD21 LEU A 60 -1.554 -3.017 10.230 1.00 1.49 H new ATOM 0 HD22 LEU A 60 -0.272 -2.636 11.403 1.00 1.49 H new ATOM 0 HD23 LEU A 60 -1.949 -2.853 11.958 1.00 1.49 H new ATOM 972 N ARG A 61 -2.145 -1.395 15.086 1.00 0.42 N ATOM 973 CA ARG A 61 -2.343 -2.598 15.938 1.00 0.44 C ATOM 974 C ARG A 61 -3.815 -2.701 16.337 1.00 0.45 C ATOM 975 O ARG A 61 -4.340 -3.779 16.531 1.00 0.47 O ATOM 976 CB ARG A 61 -1.468 -2.472 17.190 1.00 0.46 C ATOM 977 CG ARG A 61 0.011 -2.762 16.834 1.00 0.72 C ATOM 978 CD ARG A 61 0.339 -4.232 17.104 1.00 0.81 C ATOM 979 NE ARG A 61 1.569 -4.628 16.355 1.00 0.57 N ATOM 980 CZ ARG A 61 2.192 -5.728 16.676 1.00 1.27 C ATOM 981 NH1 ARG A 61 1.730 -6.483 17.634 1.00 2.14 N ATOM 982 NH2 ARG A 61 3.274 -6.078 16.037 1.00 1.33 N ATOM 0 H ARG A 61 -1.509 -0.695 15.468 1.00 0.42 H new ATOM 0 HA ARG A 61 -2.061 -3.496 15.388 1.00 0.44 H new ATOM 0 HB2 ARG A 61 -1.560 -1.470 17.609 1.00 0.46 H new ATOM 0 HB3 ARG A 61 -1.810 -3.170 17.955 1.00 0.46 H new ATOM 0 HG2 ARG A 61 0.193 -2.527 15.785 1.00 0.72 H new ATOM 0 HG3 ARG A 61 0.667 -2.121 17.423 1.00 0.72 H new ATOM 0 HD2 ARG A 61 0.488 -4.389 18.172 1.00 0.81 H new ATOM 0 HD3 ARG A 61 -0.498 -4.861 16.802 1.00 0.81 H new ATOM 0 HE ARG A 61 1.920 -4.042 15.597 1.00 0.57 H new ATOM 0 HH11 ARG A 61 0.882 -6.213 18.132 1.00 2.14 H new ATOM 0 HH12 ARG A 61 2.217 -7.343 17.885 1.00 2.14 H new ATOM 0 HH21 ARG A 61 3.634 -5.491 15.285 1.00 1.33 H new ATOM 0 HH22 ARG A 61 3.760 -6.939 16.290 1.00 1.33 H new ATOM 996 N GLU A 62 -4.494 -1.590 16.443 1.00 0.45 N ATOM 997 CA GLU A 62 -5.932 -1.643 16.807 1.00 0.48 C ATOM 998 C GLU A 62 -6.716 -2.086 15.571 1.00 0.49 C ATOM 999 O GLU A 62 -7.687 -2.813 15.661 1.00 0.55 O ATOM 1000 CB GLU A 62 -6.393 -0.260 17.257 1.00 0.50 C ATOM 1001 CG GLU A 62 -5.890 0.014 18.675 1.00 0.52 C ATOM 1002 CD GLU A 62 -6.666 -0.856 19.663 1.00 1.24 C ATOM 1003 OE1 GLU A 62 -7.883 -0.775 19.661 1.00 1.90 O ATOM 1004 OE2 GLU A 62 -6.031 -1.589 20.402 1.00 1.97 O ATOM 0 H GLU A 62 -4.114 -0.655 16.294 1.00 0.45 H new ATOM 0 HA GLU A 62 -6.098 -2.346 17.624 1.00 0.48 H new ATOM 0 HB2 GLU A 62 -6.015 0.500 16.573 1.00 0.50 H new ATOM 0 HB3 GLU A 62 -7.481 -0.202 17.229 1.00 0.50 H new ATOM 0 HG2 GLU A 62 -4.824 -0.201 18.743 1.00 0.52 H new ATOM 0 HG3 GLU A 62 -6.019 1.068 18.922 1.00 0.52 H new ATOM 1011 N LYS A 63 -6.279 -1.669 14.411 1.00 0.47 N ATOM 1012 CA LYS A 63 -6.974 -2.079 13.160 1.00 0.49 C ATOM 1013 C LYS A 63 -6.750 -3.574 12.949 1.00 0.48 C ATOM 1014 O LYS A 63 -7.683 -4.337 12.807 1.00 0.57 O ATOM 1015 CB LYS A 63 -6.408 -1.292 11.973 1.00 0.50 C ATOM 1016 CG LYS A 63 -6.622 0.208 12.210 1.00 0.53 C ATOM 1017 CD LYS A 63 -6.505 0.968 10.887 1.00 0.63 C ATOM 1018 CE LYS A 63 -6.806 2.454 11.117 1.00 0.74 C ATOM 1019 NZ LYS A 63 -7.148 3.092 9.816 1.00 1.39 N ATOM 0 H LYS A 63 -5.470 -1.062 14.278 1.00 0.47 H new ATOM 0 HA LYS A 63 -8.041 -1.872 13.239 1.00 0.49 H new ATOM 0 HB2 LYS A 63 -5.346 -1.505 11.854 1.00 0.50 H new ATOM 0 HB3 LYS A 63 -6.900 -1.600 11.050 1.00 0.50 H new ATOM 0 HG2 LYS A 63 -7.604 0.379 12.651 1.00 0.53 H new ATOM 0 HG3 LYS A 63 -5.884 0.581 12.920 1.00 0.53 H new ATOM 0 HD2 LYS A 63 -5.503 0.849 10.476 1.00 0.63 H new ATOM 0 HD3 LYS A 63 -7.200 0.555 10.156 1.00 0.63 H new ATOM 0 HE2 LYS A 63 -7.633 2.565 11.819 1.00 0.74 H new ATOM 0 HE3 LYS A 63 -5.942 2.948 11.562 1.00 0.74 H new ATOM 0 HZ1 LYS A 63 -7.353 4.100 9.967 1.00 1.39 H new ATOM 0 HZ2 LYS A 63 -6.346 2.996 9.161 1.00 1.39 H new ATOM 0 HZ3 LYS A 63 -7.984 2.626 9.410 1.00 1.39 H new ATOM 1033 N ILE A 64 -5.514 -4.000 12.950 1.00 0.43 N ATOM 1034 CA ILE A 64 -5.222 -5.452 12.769 1.00 0.43 C ATOM 1035 C ILE A 64 -6.111 -6.252 13.732 1.00 0.48 C ATOM 1036 O ILE A 64 -6.677 -7.267 13.378 1.00 0.56 O ATOM 1037 CB ILE A 64 -3.723 -5.711 13.058 1.00 0.39 C ATOM 1038 CG1 ILE A 64 -2.916 -5.442 11.783 1.00 0.41 C ATOM 1039 CG2 ILE A 64 -3.491 -7.162 13.503 1.00 0.42 C ATOM 1040 CD1 ILE A 64 -1.417 -5.440 12.094 1.00 0.45 C ATOM 0 H ILE A 64 -4.694 -3.405 13.068 1.00 0.43 H new ATOM 0 HA ILE A 64 -5.434 -5.764 11.746 1.00 0.43 H new ATOM 0 HB ILE A 64 -3.403 -5.047 13.861 1.00 0.39 H new ATOM 0 HG12 ILE A 64 -3.138 -6.204 11.036 1.00 0.41 H new ATOM 0 HG13 ILE A 64 -3.207 -4.482 11.356 1.00 0.41 H new ATOM 0 HG21 ILE A 64 -2.430 -7.317 13.700 1.00 0.42 H new ATOM 0 HG22 ILE A 64 -4.061 -7.360 14.411 1.00 0.42 H new ATOM 0 HG23 ILE A 64 -3.817 -7.841 12.715 1.00 0.42 H new ATOM 0 HD11 ILE A 64 -0.856 -5.248 11.179 1.00 0.45 H new ATOM 0 HD12 ILE A 64 -1.198 -4.661 12.825 1.00 0.45 H new ATOM 0 HD13 ILE A 64 -1.128 -6.410 12.500 1.00 0.45 H new ATOM 1052 N ALA A 65 -6.234 -5.792 14.944 1.00 0.47 N ATOM 1053 CA ALA A 65 -7.083 -6.508 15.936 1.00 0.54 C ATOM 1054 C ALA A 65 -8.495 -6.686 15.373 1.00 0.62 C ATOM 1055 O ALA A 65 -9.155 -7.672 15.633 1.00 0.72 O ATOM 1056 CB ALA A 65 -7.155 -5.690 17.227 1.00 0.53 C ATOM 0 H ALA A 65 -5.781 -4.947 15.293 1.00 0.47 H new ATOM 0 HA ALA A 65 -6.648 -7.486 16.143 1.00 0.54 H new ATOM 0 HB1 ALA A 65 -7.776 -6.212 17.955 1.00 0.53 H new ATOM 0 HB2 ALA A 65 -6.151 -5.561 17.633 1.00 0.53 H new ATOM 0 HB3 ALA A 65 -7.589 -4.713 17.015 1.00 0.53 H new ATOM 1062 N GLU A 66 -8.970 -5.740 14.607 1.00 0.61 N ATOM 1063 CA GLU A 66 -10.344 -5.866 14.042 1.00 0.72 C ATOM 1064 C GLU A 66 -10.347 -6.926 12.941 1.00 0.75 C ATOM 1065 O GLU A 66 -11.275 -7.698 12.805 1.00 0.87 O ATOM 1066 CB GLU A 66 -10.784 -4.522 13.456 1.00 0.74 C ATOM 1067 CG GLU A 66 -10.964 -3.505 14.586 1.00 0.91 C ATOM 1068 CD GLU A 66 -11.675 -2.262 14.049 1.00 1.57 C ATOM 1069 OE1 GLU A 66 -11.088 -1.577 13.227 1.00 2.28 O ATOM 1070 OE2 GLU A 66 -12.794 -2.016 14.468 1.00 2.12 O ATOM 0 H GLU A 66 -8.469 -4.890 14.349 1.00 0.61 H new ATOM 0 HA GLU A 66 -11.034 -6.160 14.833 1.00 0.72 H new ATOM 0 HB2 GLU A 66 -10.040 -4.163 12.745 1.00 0.74 H new ATOM 0 HB3 GLU A 66 -11.718 -4.641 12.908 1.00 0.74 H new ATOM 0 HG2 GLU A 66 -11.544 -3.946 15.397 1.00 0.91 H new ATOM 0 HG3 GLU A 66 -9.994 -3.231 15.000 1.00 0.91 H new ATOM 1077 N LEU A 67 -9.312 -6.962 12.154 1.00 0.67 N ATOM 1078 CA LEU A 67 -9.238 -7.961 11.053 1.00 0.73 C ATOM 1079 C LEU A 67 -9.094 -9.368 11.638 1.00 0.84 C ATOM 1080 O LEU A 67 -9.522 -10.341 11.048 1.00 1.02 O ATOM 1081 CB LEU A 67 -8.029 -7.644 10.175 1.00 0.66 C ATOM 1082 CG LEU A 67 -7.958 -6.136 9.931 1.00 0.60 C ATOM 1083 CD1 LEU A 67 -6.814 -5.838 8.966 1.00 0.61 C ATOM 1084 CD2 LEU A 67 -9.279 -5.649 9.325 1.00 0.71 C ATOM 0 H LEU A 67 -8.508 -6.339 12.226 1.00 0.67 H new ATOM 0 HA LEU A 67 -10.149 -7.917 10.457 1.00 0.73 H new ATOM 0 HB2 LEU A 67 -7.115 -7.988 10.658 1.00 0.66 H new ATOM 0 HB3 LEU A 67 -8.107 -8.174 9.226 1.00 0.66 H new ATOM 0 HG LEU A 67 -7.785 -5.621 10.876 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -6.758 -4.764 8.788 1.00 0.61 H new ATOM 0 HD12 LEU A 67 -5.875 -6.183 9.398 1.00 0.61 H new ATOM 0 HD13 LEU A 67 -6.991 -6.353 8.022 1.00 0.61 H new ATOM 0 HD21 LEU A 67 -9.226 -4.574 9.152 1.00 0.71 H new ATOM 0 HD22 LEU A 67 -9.456 -6.160 8.379 1.00 0.71 H new ATOM 0 HD23 LEU A 67 -10.097 -5.866 10.013 1.00 0.71 H new ATOM 1096 N GLN A 68 -8.496 -9.486 12.791 1.00 0.79 N ATOM 1097 CA GLN A 68 -8.329 -10.832 13.404 1.00 0.93 C ATOM 1098 C GLN A 68 -9.643 -11.251 14.060 1.00 1.09 C ATOM 1099 O GLN A 68 -10.031 -12.402 14.023 1.00 1.41 O ATOM 1100 CB GLN A 68 -7.230 -10.781 14.468 1.00 0.88 C ATOM 1101 CG GLN A 68 -5.865 -10.638 13.793 1.00 1.25 C ATOM 1102 CD GLN A 68 -4.763 -10.775 14.844 1.00 1.55 C ATOM 1103 OE1 GLN A 68 -4.917 -11.491 15.814 1.00 2.12 O ATOM 1104 NE2 GLN A 68 -3.649 -10.115 14.692 1.00 2.03 N ATOM 0 H GLN A 68 -8.117 -8.710 13.334 1.00 0.79 H new ATOM 0 HA GLN A 68 -8.053 -11.550 12.632 1.00 0.93 H new ATOM 0 HB2 GLN A 68 -7.402 -9.942 15.143 1.00 0.88 H new ATOM 0 HB3 GLN A 68 -7.254 -11.687 15.073 1.00 0.88 H new ATOM 0 HG2 GLN A 68 -5.746 -11.401 13.023 1.00 1.25 H new ATOM 0 HG3 GLN A 68 -5.792 -9.670 13.297 1.00 1.25 H new ATOM 0 HE21 GLN A 68 -3.519 -9.514 13.878 1.00 2.03 H new ATOM 0 HE22 GLN A 68 -2.907 -10.200 15.387 1.00 2.03 H new ATOM 1113 N LYS A 69 -10.332 -10.324 14.664 1.00 1.17 N ATOM 1114 CA LYS A 69 -11.620 -10.665 15.324 1.00 1.39 C ATOM 1115 C LYS A 69 -12.697 -10.882 14.260 1.00 1.50 C ATOM 1116 O LYS A 69 -12.837 -11.963 13.725 1.00 1.93 O ATOM 1117 CB LYS A 69 -12.021 -9.524 16.265 1.00 1.36 C ATOM 1118 CG LYS A 69 -11.179 -9.608 17.545 1.00 1.65 C ATOM 1119 CD LYS A 69 -11.274 -8.295 18.328 1.00 1.72 C ATOM 1120 CE LYS A 69 -10.707 -8.503 19.735 1.00 2.40 C ATOM 1121 NZ LYS A 69 -11.690 -9.260 20.559 1.00 2.90 N ATOM 0 H LYS A 69 -10.057 -9.344 14.729 1.00 1.17 H new ATOM 0 HA LYS A 69 -11.510 -11.582 15.903 1.00 1.39 H new ATOM 0 HB2 LYS A 69 -11.867 -8.562 15.776 1.00 1.36 H new ATOM 0 HB3 LYS A 69 -13.081 -9.592 16.508 1.00 1.36 H new ATOM 0 HG2 LYS A 69 -11.527 -10.435 18.164 1.00 1.65 H new ATOM 0 HG3 LYS A 69 -10.139 -9.815 17.292 1.00 1.65 H new ATOM 0 HD2 LYS A 69 -10.720 -7.510 17.813 1.00 1.72 H new ATOM 0 HD3 LYS A 69 -12.312 -7.967 18.386 1.00 1.72 H new ATOM 0 HE2 LYS A 69 -9.764 -9.048 19.682 1.00 2.40 H new ATOM 0 HE3 LYS A 69 -10.493 -7.540 20.198 1.00 2.40 H new ATOM 0 HZ1 LYS A 69 -11.462 -9.143 21.567 1.00 2.90 H new ATOM 0 HZ2 LYS A 69 -12.648 -8.898 20.377 1.00 2.90 H new ATOM 0 HZ3 LYS A 69 -11.648 -10.269 20.310 1.00 2.90 H new ATOM 1135 N ASP A 70 -13.464 -9.870 13.945 1.00 1.51 N ATOM 1136 CA ASP A 70 -14.528 -10.043 12.911 1.00 1.73 C ATOM 1137 C ASP A 70 -14.901 -8.690 12.304 1.00 1.73 C ATOM 1138 O ASP A 70 -15.048 -8.557 11.105 1.00 2.49 O ATOM 1139 CB ASP A 70 -15.767 -10.669 13.555 1.00 2.42 C ATOM 1140 CG ASP A 70 -16.718 -11.160 12.463 1.00 3.06 C ATOM 1141 OD1 ASP A 70 -16.570 -10.725 11.333 1.00 3.49 O ATOM 1142 OD2 ASP A 70 -17.583 -11.963 12.776 1.00 3.70 O ATOM 0 H ASP A 70 -13.401 -8.938 14.355 1.00 1.51 H new ATOM 0 HA ASP A 70 -14.152 -10.695 12.122 1.00 1.73 H new ATOM 0 HB2 ASP A 70 -15.475 -11.499 14.198 1.00 2.42 H new ATOM 0 HB3 ASP A 70 -16.270 -9.937 14.188 1.00 2.42 H new ATOM 1147 N ILE A 71 -15.067 -7.687 13.120 1.00 1.73 N ATOM 1148 CA ILE A 71 -15.444 -6.343 12.587 1.00 2.41 C ATOM 1149 C ILE A 71 -14.898 -5.252 13.515 1.00 3.12 C ATOM 1150 O ILE A 71 -13.818 -5.372 14.060 1.00 3.63 O ATOM 1151 CB ILE A 71 -16.970 -6.247 12.502 1.00 3.08 C ATOM 1152 CG1 ILE A 71 -17.364 -4.986 11.727 1.00 3.45 C ATOM 1153 CG2 ILE A 71 -17.562 -6.194 13.912 1.00 3.83 C ATOM 1154 CD1 ILE A 71 -18.879 -4.969 11.510 1.00 4.05 C ATOM 0 H ILE A 71 -14.959 -7.737 14.133 1.00 1.73 H new ATOM 0 HA ILE A 71 -15.019 -6.206 11.593 1.00 2.41 H new ATOM 0 HB ILE A 71 -17.358 -7.123 11.983 1.00 3.08 H new ATOM 0 HG12 ILE A 71 -17.055 -4.097 12.278 1.00 3.45 H new ATOM 0 HG13 ILE A 71 -16.849 -4.961 10.767 1.00 3.45 H new ATOM 0 HG21 ILE A 71 -18.648 -6.126 13.848 1.00 3.83 H new ATOM 0 HG22 ILE A 71 -17.287 -7.097 14.456 1.00 3.83 H new ATOM 0 HG23 ILE A 71 -17.174 -5.321 14.437 1.00 3.83 H new ATOM 0 HD11 ILE A 71 -19.158 -4.071 10.958 1.00 4.05 H new ATOM 0 HD12 ILE A 71 -19.175 -5.851 10.941 1.00 4.05 H new ATOM 0 HD13 ILE A 71 -19.385 -4.973 12.475 1.00 4.05 H new TER 1166 ILE A 71 ATOM 1167 O5' DG B 101 -2.075 -15.300 0.473 1.00 0.76 O ATOM 1168 C5' DG B 101 -1.603 -15.582 1.793 1.00 0.77 C ATOM 1169 C4' DG B 101 -0.067 -15.626 1.849 1.00 0.70 C ATOM 1170 O4' DG B 101 0.461 -16.135 0.603 1.00 0.69 O ATOM 1171 C3' DG B 101 0.574 -14.249 2.103 1.00 0.63 C ATOM 1172 O3' DG B 101 1.232 -14.220 3.371 1.00 0.65 O ATOM 1173 C2' DG B 101 1.578 -14.057 0.986 1.00 0.57 C ATOM 1174 C1' DG B 101 1.604 -15.359 0.198 1.00 0.62 C ATOM 1175 N9 DG B 101 1.602 -15.099 -1.255 1.00 0.60 N ATOM 1176 C8 DG B 101 0.581 -14.684 -2.062 1.00 0.60 C ATOM 1177 N7 DG B 101 0.897 -14.529 -3.315 1.00 0.59 N ATOM 1178 C5 DG B 101 2.249 -14.870 -3.347 1.00 0.62 C ATOM 1179 C6 DG B 101 3.160 -14.897 -4.441 1.00 0.70 C ATOM 1180 O6 DG B 101 2.947 -14.618 -5.619 1.00 0.70 O ATOM 1181 N1 DG B 101 4.428 -15.300 -4.037 1.00 0.86 N ATOM 1182 C2 DG B 101 4.779 -15.635 -2.747 1.00 0.90 C ATOM 1183 N2 DG B 101 6.044 -16.004 -2.556 1.00 1.11 N ATOM 1184 N3 DG B 101 3.927 -15.611 -1.719 1.00 0.79 N ATOM 1185 C4 DG B 101 2.686 -15.221 -2.090 1.00 0.65 C ATOM 0 H5' DG B 101 -2.007 -16.537 2.128 1.00 0.77 H new ATOM 0 H5'' DG B 101 -1.971 -14.821 2.482 1.00 0.77 H new ATOM 0 H4' DG B 101 0.181 -16.278 2.687 1.00 0.70 H new ATOM 0 H3' DG B 101 -0.175 -13.458 2.119 1.00 0.63 H new ATOM 0 H2' DG B 101 1.291 -13.222 0.346 1.00 0.57 H new ATOM 0 H2'' DG B 101 2.565 -13.827 1.387 1.00 0.57 H new ATOM 0 HO5' DG B 101 -1.374 -15.513 -0.178 1.00 0.76 H new ATOM 0 H1' DG B 101 2.519 -15.914 0.407 1.00 0.62 H new ATOM 0 H8 DG B 101 -0.415 -14.498 -1.688 1.00 0.60 H new ATOM 0 H1 DG B 101 5.155 -15.352 -4.751 1.00 0.86 H new ATOM 0 H21 DG B 101 6.364 -16.264 -1.623 1.00 1.11 H new ATOM 0 H22 DG B 101 6.693 -16.027 -3.343 1.00 1.11 H new ATOM 1198 P DA B 102 1.550 -12.815 4.092 1.00 0.63 P ATOM 1199 OP1 DA B 102 1.781 -13.074 5.531 1.00 0.76 O ATOM 1200 OP2 DA B 102 0.520 -11.839 3.675 1.00 0.68 O ATOM 1201 O5' DA B 102 2.951 -12.384 3.426 1.00 0.50 O ATOM 1202 C5' DA B 102 4.187 -12.664 4.088 1.00 0.63 C ATOM 1203 C4' DA B 102 5.281 -11.665 3.697 1.00 0.55 C ATOM 1204 O4' DA B 102 5.624 -11.822 2.302 1.00 0.53 O ATOM 1205 C3' DA B 102 4.849 -10.209 3.922 1.00 0.48 C ATOM 1206 O3' DA B 102 5.830 -9.527 4.723 1.00 0.51 O ATOM 1207 C2' DA B 102 4.742 -9.605 2.534 1.00 0.40 C ATOM 1208 C1' DA B 102 5.384 -10.598 1.577 1.00 0.43 C ATOM 1209 N9 DA B 102 4.513 -10.843 0.417 1.00 0.40 N ATOM 1210 C8 DA B 102 3.225 -11.279 0.392 1.00 0.41 C ATOM 1211 N7 DA B 102 2.706 -11.395 -0.798 1.00 0.41 N ATOM 1212 C5 DA B 102 3.752 -10.998 -1.636 1.00 0.38 C ATOM 1213 C6 DA B 102 3.873 -10.887 -3.031 1.00 0.37 C ATOM 1214 N6 DA B 102 2.887 -11.176 -3.881 1.00 0.39 N ATOM 1215 N1 DA B 102 5.053 -10.463 -3.516 1.00 0.37 N ATOM 1216 C2 DA B 102 6.054 -10.165 -2.688 1.00 0.39 C ATOM 1217 N3 DA B 102 6.045 -10.235 -1.363 1.00 0.39 N ATOM 1218 C4 DA B 102 4.852 -10.662 -0.901 1.00 0.38 C ATOM 0 H5' DA B 102 4.512 -13.674 3.839 1.00 0.63 H new ATOM 0 H5'' DA B 102 4.036 -12.634 5.167 1.00 0.63 H new ATOM 0 H4' DA B 102 6.139 -11.877 4.335 1.00 0.55 H new ATOM 0 H3' DA B 102 3.903 -10.128 4.457 1.00 0.48 H new ATOM 0 H2' DA B 102 3.700 -9.429 2.268 1.00 0.40 H new ATOM 0 H2'' DA B 102 5.250 -8.641 2.491 1.00 0.40 H new ATOM 0 H1' DA B 102 6.323 -10.197 1.197 1.00 0.43 H new ATOM 0 H8 DA B 102 2.673 -11.512 1.291 1.00 0.41 H new ATOM 0 H61 DA B 102 3.034 -11.076 -4.885 1.00 0.39 H new ATOM 0 H62 DA B 102 1.986 -11.497 -3.527 1.00 0.39 H new ATOM 0 H2 DA B 102 6.973 -9.830 -3.146 1.00 0.39 H new ATOM 1230 P DG B 103 5.785 -7.930 4.953 1.00 0.51 P ATOM 1231 OP1 DG B 103 6.783 -7.583 5.989 1.00 0.63 O ATOM 1232 OP2 DG B 103 4.376 -7.518 5.120 1.00 0.53 O ATOM 1233 O5' DG B 103 6.305 -7.361 3.540 1.00 0.45 O ATOM 1234 C5' DG B 103 7.623 -7.658 3.069 1.00 0.47 C ATOM 1235 C4' DG B 103 8.070 -6.648 2.006 1.00 0.46 C ATOM 1236 O4' DG B 103 7.665 -7.089 0.686 1.00 0.44 O ATOM 1237 C3' DG B 103 7.464 -5.257 2.249 1.00 0.44 C ATOM 1238 O3' DG B 103 8.504 -4.276 2.366 1.00 0.50 O ATOM 1239 C2' DG B 103 6.589 -4.988 1.040 1.00 0.41 C ATOM 1240 C1' DG B 103 6.962 -6.031 0.000 1.00 0.39 C ATOM 1241 N9 DG B 103 5.765 -6.541 -0.704 1.00 0.34 N ATOM 1242 C8 DG B 103 4.614 -7.073 -0.193 1.00 0.33 C ATOM 1243 N7 DG B 103 3.730 -7.430 -1.077 1.00 0.34 N ATOM 1244 C5 DG B 103 4.341 -7.109 -2.288 1.00 0.33 C ATOM 1245 C6 DG B 103 3.866 -7.265 -3.620 1.00 0.35 C ATOM 1246 O6 DG B 103 2.790 -7.725 -3.998 1.00 0.39 O ATOM 1247 N1 DG B 103 4.796 -6.814 -4.548 1.00 0.36 N ATOM 1248 C2 DG B 103 6.030 -6.279 -4.237 1.00 0.38 C ATOM 1249 N2 DG B 103 6.787 -5.899 -5.265 1.00 0.44 N ATOM 1250 N3 DG B 103 6.478 -6.131 -2.988 1.00 0.38 N ATOM 1251 C4 DG B 103 5.586 -6.565 -2.068 1.00 0.34 C ATOM 0 H5' DG B 103 7.645 -8.664 2.651 1.00 0.47 H new ATOM 0 H5'' DG B 103 8.323 -7.645 3.905 1.00 0.47 H new ATOM 0 H4' DG B 103 9.156 -6.583 2.072 1.00 0.46 H new ATOM 0 H3' DG B 103 6.890 -5.210 3.174 1.00 0.44 H new ATOM 0 H2' DG B 103 5.533 -5.060 1.301 1.00 0.41 H new ATOM 0 H2'' DG B 103 6.755 -3.981 0.657 1.00 0.41 H new ATOM 0 H1' DG B 103 7.599 -5.592 -0.768 1.00 0.39 H new ATOM 0 H8 DG B 103 4.451 -7.188 0.868 1.00 0.33 H new ATOM 0 H1 DG B 103 4.548 -6.883 -5.535 1.00 0.36 H new ATOM 0 H21 DG B 103 7.709 -5.496 -5.098 1.00 0.44 H new ATOM 0 H22 DG B 103 6.444 -6.011 -6.219 1.00 0.44 H new ATOM 1263 P DT B 104 8.161 -2.706 2.493 1.00 0.55 P ATOM 1264 OP1 DT B 104 9.043 -2.119 3.527 1.00 0.68 O ATOM 1265 OP2 DT B 104 6.693 -2.559 2.604 1.00 0.54 O ATOM 1266 O5' DT B 104 8.618 -2.138 1.055 1.00 0.52 O ATOM 1267 C5' DT B 104 9.626 -2.819 0.300 1.00 0.52 C ATOM 1268 C4' DT B 104 9.771 -2.242 -1.116 1.00 0.48 C ATOM 1269 O4' DT B 104 8.899 -2.938 -2.036 1.00 0.45 O ATOM 1270 C3' DT B 104 9.435 -0.746 -1.177 1.00 0.49 C ATOM 1271 O3' DT B 104 10.591 0.014 -1.546 1.00 0.52 O ATOM 1272 C2' DT B 104 8.351 -0.614 -2.223 1.00 0.45 C ATOM 1273 C1' DT B 104 8.128 -2.000 -2.816 1.00 0.43 C ATOM 1274 N1 DT B 104 6.686 -2.373 -2.806 1.00 0.42 N ATOM 1275 C2 DT B 104 6.075 -2.687 -4.013 1.00 0.44 C ATOM 1276 O2 DT B 104 6.682 -2.651 -5.081 1.00 0.48 O ATOM 1277 N3 DT B 104 4.741 -3.043 -3.946 1.00 0.45 N ATOM 1278 C4 DT B 104 3.972 -3.111 -2.798 1.00 0.44 C ATOM 1279 O4 DT B 104 2.790 -3.444 -2.855 1.00 0.47 O ATOM 1280 C5 DT B 104 4.688 -2.766 -1.591 1.00 0.43 C ATOM 1281 C7 DT B 104 3.949 -2.787 -0.253 1.00 0.47 C ATOM 1282 C6 DT B 104 5.993 -2.417 -1.632 1.00 0.43 C ATOM 0 H5' DT B 104 9.378 -3.878 0.236 1.00 0.52 H new ATOM 0 H5'' DT B 104 10.581 -2.746 0.821 1.00 0.52 H new ATOM 0 H4' DT B 104 10.816 -2.376 -1.396 1.00 0.48 H new ATOM 0 H3' DT B 104 9.106 -0.367 -0.210 1.00 0.49 H new ATOM 0 H2' DT B 104 7.432 -0.233 -1.779 1.00 0.45 H new ATOM 0 H2'' DT B 104 8.648 0.093 -2.998 1.00 0.45 H new ATOM 0 H1' DT B 104 8.448 -2.010 -3.858 1.00 0.43 H new ATOM 0 H3 DT B 104 4.280 -3.278 -4.825 1.00 0.45 H new ATOM 0 H71 DT B 104 2.898 -2.549 -0.414 1.00 0.47 H new ATOM 0 H72 DT B 104 4.033 -3.778 0.193 1.00 0.47 H new ATOM 0 H73 DT B 104 4.389 -2.049 0.417 1.00 0.47 H new ATOM 0 H6 DT B 104 6.500 -2.167 -0.712 1.00 0.43 H new ATOM 1295 P DA B 105 10.497 1.608 -1.763 1.00 0.56 P ATOM 1296 OP1 DA B 105 11.871 2.134 -1.931 1.00 0.63 O ATOM 1297 OP2 DA B 105 9.616 2.168 -0.713 1.00 0.60 O ATOM 1298 O5' DA B 105 9.734 1.729 -3.178 1.00 0.51 O ATOM 1299 C5' DA B 105 10.433 1.489 -4.404 1.00 0.49 C ATOM 1300 C4' DA B 105 9.573 1.838 -5.624 1.00 0.45 C ATOM 1301 O4' DA B 105 8.435 0.950 -5.709 1.00 0.43 O ATOM 1302 C3' DA B 105 9.051 3.282 -5.573 1.00 0.47 C ATOM 1303 O3' DA B 105 9.515 4.020 -6.712 1.00 0.51 O ATOM 1304 C2' DA B 105 7.539 3.166 -5.584 1.00 0.46 C ATOM 1305 C1' DA B 105 7.215 1.706 -5.857 1.00 0.42 C ATOM 1306 N9 DA B 105 6.174 1.219 -4.932 1.00 0.40 N ATOM 1307 C8 DA B 105 6.167 1.219 -3.568 1.00 0.43 C ATOM 1308 N7 DA B 105 5.098 0.719 -3.023 1.00 0.44 N ATOM 1309 C5 DA B 105 4.325 0.353 -4.124 1.00 0.39 C ATOM 1310 C6 DA B 105 3.062 -0.239 -4.242 1.00 0.39 C ATOM 1311 N6 DA B 105 2.323 -0.593 -3.191 1.00 0.43 N ATOM 1312 N1 DA B 105 2.595 -0.459 -5.484 1.00 0.38 N ATOM 1313 C2 DA B 105 3.325 -0.119 -6.547 1.00 0.40 C ATOM 1314 N3 DA B 105 4.529 0.445 -6.545 1.00 0.40 N ATOM 1315 C4 DA B 105 4.972 0.654 -5.289 1.00 0.38 C ATOM 0 H5' DA B 105 10.729 0.441 -4.455 1.00 0.49 H new ATOM 0 H5'' DA B 105 11.349 2.080 -4.423 1.00 0.49 H new ATOM 0 H4' DA B 105 10.215 1.727 -6.498 1.00 0.45 H new ATOM 0 H3' DA B 105 9.404 3.813 -4.689 1.00 0.47 H new ATOM 0 H2' DA B 105 7.120 3.484 -4.629 1.00 0.46 H new ATOM 0 H2'' DA B 105 7.107 3.808 -6.351 1.00 0.46 H new ATOM 0 H1' DA B 105 6.823 1.588 -6.867 1.00 0.42 H new ATOM 0 H8 DA B 105 6.989 1.606 -2.984 1.00 0.43 H new ATOM 0 H61 DA B 105 1.408 -1.021 -3.332 1.00 0.43 H new ATOM 0 H62 DA B 105 2.672 -0.435 -2.246 1.00 0.43 H new ATOM 0 H2 DA B 105 2.891 -0.324 -7.515 1.00 0.40 H new ATOM 1327 P DG B 106 9.035 5.538 -6.976 1.00 0.58 P ATOM 1328 OP1 DG B 106 9.928 6.134 -7.995 1.00 0.66 O ATOM 1329 OP2 DG B 106 8.862 6.205 -5.667 1.00 0.64 O ATOM 1330 O5' DG B 106 7.577 5.337 -7.637 1.00 0.52 O ATOM 1331 C5' DG B 106 7.426 4.591 -8.848 1.00 0.49 C ATOM 1332 C4' DG B 106 5.992 4.664 -9.394 1.00 0.47 C ATOM 1333 O4' DG B 106 5.162 3.657 -8.768 1.00 0.44 O ATOM 1334 C3' DG B 106 5.341 6.033 -9.143 1.00 0.49 C ATOM 1335 O3' DG B 106 5.115 6.726 -10.374 1.00 0.54 O ATOM 1336 C2' DG B 106 4.019 5.737 -8.464 1.00 0.47 C ATOM 1337 C1' DG B 106 3.890 4.222 -8.389 1.00 0.44 C ATOM 1338 N9 DG B 106 3.494 3.804 -7.029 1.00 0.42 N ATOM 1339 C8 DG B 106 4.106 4.060 -5.837 1.00 0.44 C ATOM 1340 N7 DG B 106 3.500 3.585 -4.790 1.00 0.45 N ATOM 1341 C5 DG B 106 2.381 2.954 -5.329 1.00 0.43 C ATOM 1342 C6 DG B 106 1.331 2.250 -4.679 1.00 0.44 C ATOM 1343 O6 DG B 106 1.182 2.042 -3.477 1.00 0.47 O ATOM 1344 N1 DG B 106 0.399 1.771 -5.591 1.00 0.43 N ATOM 1345 C2 DG B 106 0.466 1.945 -6.958 1.00 0.43 C ATOM 1346 N2 DG B 106 -0.525 1.410 -7.671 1.00 0.46 N ATOM 1347 N3 DG B 106 1.451 2.607 -7.572 1.00 0.42 N ATOM 1348 C4 DG B 106 2.370 3.082 -6.700 1.00 0.41 C ATOM 0 H5' DG B 106 7.693 3.550 -8.668 1.00 0.49 H new ATOM 0 H5'' DG B 106 8.119 4.973 -9.598 1.00 0.49 H new ATOM 0 H4' DG B 106 6.064 4.497 -10.469 1.00 0.47 H new ATOM 0 H3' DG B 106 5.983 6.670 -8.534 1.00 0.49 H new ATOM 0 H2' DG B 106 3.990 6.177 -7.467 1.00 0.47 H new ATOM 0 H2'' DG B 106 3.191 6.168 -9.027 1.00 0.47 H new ATOM 0 H1' DG B 106 3.114 3.866 -9.066 1.00 0.44 H new ATOM 0 H8 DG B 106 5.028 4.618 -5.768 1.00 0.44 H new ATOM 0 H1 DG B 106 -0.396 1.250 -5.221 1.00 0.43 H new ATOM 0 H21 DG B 106 -0.532 1.505 -8.687 1.00 0.46 H new ATOM 0 H22 DG B 106 -1.277 0.906 -7.201 1.00 0.46 H new ATOM 1360 P DT B 107 4.374 8.157 -10.381 1.00 0.60 P ATOM 1361 OP1 DT B 107 4.626 8.802 -11.689 1.00 0.68 O ATOM 1362 OP2 DT B 107 4.725 8.866 -9.130 1.00 0.61 O ATOM 1363 O5' DT B 107 2.816 7.749 -10.310 1.00 0.59 O ATOM 1364 C5' DT B 107 2.149 7.242 -11.469 1.00 0.62 C ATOM 1365 C4' DT B 107 0.852 6.497 -11.108 1.00 0.58 C ATOM 1366 O4' DT B 107 0.979 5.821 -9.839 1.00 0.52 O ATOM 1367 C3' DT B 107 -0.364 7.429 -11.015 1.00 0.60 C ATOM 1368 O3' DT B 107 -1.205 7.286 -12.164 1.00 0.65 O ATOM 1369 C2' DT B 107 -1.097 7.008 -9.755 1.00 0.53 C ATOM 1370 C1' DT B 107 -0.271 5.894 -9.120 1.00 0.49 C ATOM 1371 N1 DT B 107 -0.043 6.164 -7.678 1.00 0.46 N ATOM 1372 C2 DT B 107 -0.873 5.542 -6.756 1.00 0.42 C ATOM 1373 O2 DT B 107 -1.779 4.786 -7.099 1.00 0.43 O ATOM 1374 N3 DT B 107 -0.623 5.822 -5.427 1.00 0.41 N ATOM 1375 C4 DT B 107 0.368 6.656 -4.942 1.00 0.43 C ATOM 1376 O4 DT B 107 0.501 6.832 -3.732 1.00 0.44 O ATOM 1377 C5 DT B 107 1.182 7.260 -5.974 1.00 0.47 C ATOM 1378 C7 DT B 107 2.317 8.202 -5.580 1.00 0.51 C ATOM 1379 C6 DT B 107 0.957 7.003 -7.279 1.00 0.47 C ATOM 0 H5' DT B 107 2.817 6.568 -12.006 1.00 0.62 H new ATOM 0 H5'' DT B 107 1.918 8.066 -12.144 1.00 0.62 H new ATOM 0 H4' DT B 107 0.693 5.783 -11.916 1.00 0.58 H new ATOM 0 H3' DT B 107 -0.067 8.477 -10.980 1.00 0.60 H new ATOM 0 H2' DT B 107 -1.204 7.849 -9.070 1.00 0.53 H new ATOM 0 H2'' DT B 107 -2.102 6.659 -9.990 1.00 0.53 H new ATOM 0 H1' DT B 107 -0.799 4.942 -9.183 1.00 0.49 H new ATOM 0 H3 DT B 107 -1.226 5.371 -4.738 1.00 0.41 H new ATOM 0 H71 DT B 107 3.112 8.144 -6.323 1.00 0.51 H new ATOM 0 H72 DT B 107 1.941 9.224 -5.529 1.00 0.51 H new ATOM 0 H73 DT B 107 2.709 7.911 -4.606 1.00 0.51 H new ATOM 0 H6 DT B 107 1.582 7.472 -8.025 1.00 0.47 H new ATOM 1392 P DA B 108 -2.527 8.192 -12.330 1.00 0.78 P ATOM 1393 OP1 DA B 108 -2.903 8.203 -13.762 1.00 0.91 O ATOM 1394 OP2 DA B 108 -2.305 9.469 -11.616 1.00 0.83 O ATOM 1395 O5' DA B 108 -3.638 7.348 -11.523 1.00 0.84 O ATOM 1396 C5' DA B 108 -4.756 6.766 -12.204 1.00 0.77 C ATOM 1397 C4' DA B 108 -6.038 6.872 -11.370 1.00 0.67 C ATOM 1398 O4' DA B 108 -5.773 6.487 -10.001 1.00 0.61 O ATOM 1399 C3' DA B 108 -6.613 8.297 -11.366 1.00 0.65 C ATOM 1400 O3' DA B 108 -7.943 8.308 -11.900 1.00 0.65 O ATOM 1401 C2' DA B 108 -6.615 8.732 -9.915 1.00 0.58 C ATOM 1402 C1' DA B 108 -6.091 7.562 -9.094 1.00 0.55 C ATOM 1403 N9 DA B 108 -4.901 7.957 -8.315 1.00 0.53 N ATOM 1404 C8 DA B 108 -3.742 8.540 -8.742 1.00 0.56 C ATOM 1405 N7 DA B 108 -2.866 8.772 -7.809 1.00 0.55 N ATOM 1406 C5 DA B 108 -3.499 8.302 -6.659 1.00 0.50 C ATOM 1407 C6 DA B 108 -3.112 8.250 -5.314 1.00 0.48 C ATOM 1408 N6 DA B 108 -1.935 8.699 -4.875 1.00 0.49 N ATOM 1409 N1 DA B 108 -3.983 7.720 -4.439 1.00 0.45 N ATOM 1410 C2 DA B 108 -5.165 7.267 -4.858 1.00 0.45 C ATOM 1411 N3 DA B 108 -5.628 7.268 -6.103 1.00 0.47 N ATOM 1412 C4 DA B 108 -4.736 7.805 -6.959 1.00 0.50 C ATOM 0 H5' DA B 108 -4.547 5.718 -12.420 1.00 0.77 H new ATOM 0 H5'' DA B 108 -4.901 7.266 -13.162 1.00 0.77 H new ATOM 0 H4' DA B 108 -6.767 6.203 -11.828 1.00 0.67 H new ATOM 0 H3' DA B 108 -6.022 8.971 -11.987 1.00 0.65 H new ATOM 0 H2' DA B 108 -5.986 9.612 -9.776 1.00 0.58 H new ATOM 0 H2'' DA B 108 -7.621 9.006 -9.597 1.00 0.58 H new ATOM 0 H1' DA B 108 -6.850 7.239 -8.382 1.00 0.55 H new ATOM 0 H8 DA B 108 -3.566 8.790 -9.778 1.00 0.56 H new ATOM 0 H61 DA B 108 -1.703 8.637 -3.884 1.00 0.49 H new ATOM 0 H62 DA B 108 -1.267 9.104 -5.531 1.00 0.49 H new ATOM 0 H2 DA B 108 -5.817 6.854 -4.103 1.00 0.45 H new ATOM 1424 P DA B 109 -8.839 9.649 -11.856 1.00 0.65 P ATOM 1425 OP1 DA B 109 -10.058 9.418 -12.663 1.00 0.69 O ATOM 1426 OP2 DA B 109 -7.962 10.803 -12.157 1.00 0.70 O ATOM 1427 O5' DA B 109 -9.270 9.732 -10.303 1.00 0.59 O ATOM 1428 C5' DA B 109 -10.289 8.868 -9.790 1.00 0.57 C ATOM 1429 C4' DA B 109 -10.511 9.058 -8.283 1.00 0.54 C ATOM 1430 O4' DA B 109 -9.290 8.835 -7.542 1.00 0.56 O ATOM 1431 C3' DA B 109 -11.017 10.463 -7.937 1.00 0.49 C ATOM 1432 O3' DA B 109 -12.410 10.435 -7.607 1.00 0.50 O ATOM 1433 C2' DA B 109 -10.189 10.906 -6.745 1.00 0.49 C ATOM 1434 C1' DA B 109 -9.190 9.788 -6.463 1.00 0.52 C ATOM 1435 N9 DA B 109 -7.820 10.325 -6.351 1.00 0.52 N ATOM 1436 C8 DA B 109 -7.007 10.823 -7.326 1.00 0.54 C ATOM 1437 N7 DA B 109 -5.844 11.235 -6.919 1.00 0.56 N ATOM 1438 C5 DA B 109 -5.887 10.990 -5.548 1.00 0.55 C ATOM 1439 C6 DA B 109 -4.964 11.201 -4.519 1.00 0.57 C ATOM 1440 N6 DA B 109 -3.758 11.733 -4.719 1.00 0.62 N ATOM 1441 N1 DA B 109 -5.330 10.844 -3.276 1.00 0.57 N ATOM 1442 C2 DA B 109 -6.533 10.311 -3.056 1.00 0.54 C ATOM 1443 N3 DA B 109 -7.479 10.069 -3.958 1.00 0.52 N ATOM 1444 C4 DA B 109 -7.085 10.437 -5.194 1.00 0.52 C ATOM 0 H5' DA B 109 -10.016 7.831 -9.987 1.00 0.57 H new ATOM 0 H5'' DA B 109 -11.223 9.057 -10.319 1.00 0.57 H new ATOM 0 H4' DA B 109 -11.268 8.325 -8.004 1.00 0.54 H new ATOM 0 H3' DA B 109 -10.914 11.149 -8.778 1.00 0.49 H new ATOM 0 H2' DA B 109 -9.672 11.841 -6.959 1.00 0.49 H new ATOM 0 H2'' DA B 109 -10.825 11.085 -5.878 1.00 0.49 H new ATOM 0 H1' DA B 109 -9.416 9.304 -5.513 1.00 0.52 H new ATOM 0 H8 DA B 109 -7.308 10.871 -8.362 1.00 0.54 H new ATOM 0 H61 DA B 109 -3.122 11.865 -3.932 1.00 0.62 H new ATOM 0 H62 DA B 109 -3.471 12.008 -5.659 1.00 0.62 H new ATOM 0 H2 DA B 109 -6.763 10.048 -2.034 1.00 0.54 H new ATOM 1456 P DA B 110 -13.149 11.755 -7.055 1.00 0.51 P ATOM 1457 OP1 DA B 110 -14.608 11.506 -7.059 1.00 0.57 O ATOM 1458 OP2 DA B 110 -12.599 12.928 -7.771 1.00 0.50 O ATOM 1459 O5' DA B 110 -12.654 11.822 -5.523 1.00 0.52 O ATOM 1460 C5' DA B 110 -13.204 10.937 -4.543 1.00 0.59 C ATOM 1461 C4' DA B 110 -12.754 11.310 -3.127 1.00 0.57 C ATOM 1462 O4' DA B 110 -11.313 11.415 -3.069 1.00 0.55 O ATOM 1463 C3' DA B 110 -13.354 12.645 -2.660 1.00 0.53 C ATOM 1464 O3' DA B 110 -14.158 12.451 -1.487 1.00 0.60 O ATOM 1465 C2' DA B 110 -12.167 13.540 -2.366 1.00 0.48 C ATOM 1466 C1' DA B 110 -10.917 12.684 -2.510 1.00 0.48 C ATOM 1467 N9 DA B 110 -9.922 13.354 -3.370 1.00 0.43 N ATOM 1468 C8 DA B 110 -10.053 13.806 -4.651 1.00 0.43 C ATOM 1469 N7 DA B 110 -8.993 14.377 -5.144 1.00 0.42 N ATOM 1470 C5 DA B 110 -8.076 14.296 -4.096 1.00 0.43 C ATOM 1471 C6 DA B 110 -6.748 14.719 -3.960 1.00 0.46 C ATOM 1472 N6 DA B 110 -6.077 15.343 -4.928 1.00 0.51 N ATOM 1473 N1 DA B 110 -6.140 14.478 -2.785 1.00 0.48 N ATOM 1474 C2 DA B 110 -6.795 13.859 -1.803 1.00 0.46 C ATOM 1475 N3 DA B 110 -8.048 13.420 -1.828 1.00 0.44 N ATOM 1476 C4 DA B 110 -8.634 13.674 -3.015 1.00 0.42 C ATOM 0 H5' DA B 110 -12.899 9.914 -4.764 1.00 0.59 H new ATOM 0 H5'' DA B 110 -14.292 10.964 -4.598 1.00 0.59 H new ATOM 0 H4' DA B 110 -13.109 10.517 -2.468 1.00 0.57 H new ATOM 0 H3' DA B 110 -14.007 13.085 -3.413 1.00 0.53 H new ATOM 0 H2' DA B 110 -12.139 14.383 -3.057 1.00 0.48 H new ATOM 0 H2'' DA B 110 -12.237 13.955 -1.360 1.00 0.48 H new ATOM 0 H1' DA B 110 -10.449 12.532 -1.538 1.00 0.48 H new ATOM 0 H8 DA B 110 -10.968 13.698 -5.214 1.00 0.43 H new ATOM 0 H61 DA B 110 -5.110 15.630 -4.775 1.00 0.51 H new ATOM 0 H62 DA B 110 -6.530 15.534 -5.822 1.00 0.51 H new ATOM 0 H2 DA B 110 -6.247 13.697 -0.887 1.00 0.46 H new ATOM 1488 P DT B 111 -14.754 13.705 -0.664 1.00 0.62 P ATOM 1489 OP1 DT B 111 -15.916 13.234 0.123 1.00 0.73 O ATOM 1490 OP2 DT B 111 -14.907 14.843 -1.597 1.00 0.61 O ATOM 1491 O5' DT B 111 -13.555 14.048 0.360 1.00 0.58 O ATOM 1492 C5' DT B 111 -12.882 12.995 1.059 1.00 0.61 C ATOM 1493 C4' DT B 111 -11.789 13.523 1.998 1.00 0.54 C ATOM 1494 O4' DT B 111 -10.566 13.767 1.264 1.00 0.48 O ATOM 1495 C3' DT B 111 -12.190 14.831 2.695 1.00 0.56 C ATOM 1496 O3' DT B 111 -12.341 14.626 4.103 1.00 0.61 O ATOM 1497 C2' DT B 111 -11.054 15.800 2.425 1.00 0.50 C ATOM 1498 C1' DT B 111 -9.980 15.021 1.670 1.00 0.44 C ATOM 1499 N1 DT B 111 -9.489 15.791 0.491 1.00 0.43 N ATOM 1500 C2 DT B 111 -8.147 16.148 0.452 1.00 0.42 C ATOM 1501 O2 DT B 111 -7.364 15.838 1.348 1.00 0.41 O ATOM 1502 N3 DT B 111 -7.739 16.871 -0.653 1.00 0.45 N ATOM 1503 C4 DT B 111 -8.538 17.263 -1.712 1.00 0.50 C ATOM 1504 O4 DT B 111 -8.066 17.901 -2.650 1.00 0.55 O ATOM 1505 C5 DT B 111 -9.918 16.852 -1.592 1.00 0.50 C ATOM 1506 C7 DT B 111 -10.908 17.242 -2.692 1.00 0.58 C ATOM 1507 C6 DT B 111 -10.343 16.144 -0.520 1.00 0.48 C ATOM 0 H5' DT B 111 -12.438 12.309 0.337 1.00 0.61 H new ATOM 0 H5'' DT B 111 -13.609 12.423 1.636 1.00 0.61 H new ATOM 0 H4' DT B 111 -11.643 12.753 2.755 1.00 0.54 H new ATOM 0 H3' DT B 111 -13.143 15.207 2.324 1.00 0.56 H new ATOM 0 H2' DT B 111 -11.402 16.649 1.836 1.00 0.50 H new ATOM 0 H2'' DT B 111 -10.657 16.200 3.358 1.00 0.50 H new ATOM 0 H1' DT B 111 -9.115 14.847 2.310 1.00 0.44 H new ATOM 0 H3 DT B 111 -6.756 17.141 -0.691 1.00 0.45 H new ATOM 0 H71 DT B 111 -10.599 18.185 -3.142 1.00 0.58 H new ATOM 0 H72 DT B 111 -10.928 16.465 -3.456 1.00 0.58 H new ATOM 0 H73 DT B 111 -11.903 17.354 -2.262 1.00 0.58 H new ATOM 0 H6 DT B 111 -11.381 15.850 -0.460 1.00 0.48 H new ATOM 1520 P DT B 112 -12.698 15.859 5.077 1.00 0.67 P ATOM 1521 OP1 DT B 112 -13.316 15.313 6.307 1.00 0.75 O ATOM 1522 OP2 DT B 112 -13.413 16.884 4.284 1.00 0.72 O ATOM 1523 O5' DT B 112 -11.245 16.439 5.457 1.00 0.59 O ATOM 1524 C5' DT B 112 -10.320 15.648 6.209 1.00 0.61 C ATOM 1525 C4' DT B 112 -9.062 16.442 6.575 1.00 0.55 C ATOM 1526 O4' DT B 112 -8.368 16.861 5.378 1.00 0.52 O ATOM 1527 C3' DT B 112 -9.388 17.693 7.403 1.00 0.60 C ATOM 1528 O3' DT B 112 -8.842 17.586 8.720 1.00 0.66 O ATOM 1529 C2' DT B 112 -8.759 18.853 6.658 1.00 0.59 C ATOM 1530 C1' DT B 112 -8.067 18.272 5.428 1.00 0.54 C ATOM 1531 N1 DT B 112 -8.540 18.950 4.193 1.00 0.59 N ATOM 1532 C2 DT B 112 -7.624 19.673 3.440 1.00 0.66 C ATOM 1533 O2 DT B 112 -6.442 19.766 3.763 1.00 0.68 O ATOM 1534 N3 DT B 112 -8.119 20.283 2.303 1.00 0.74 N ATOM 1535 C4 DT B 112 -9.427 20.239 1.857 1.00 0.78 C ATOM 1536 O4 DT B 112 -9.757 20.822 0.826 1.00 0.88 O ATOM 1537 C5 DT B 112 -10.311 19.465 2.702 1.00 0.72 C ATOM 1538 C7 DT B 112 -11.790 19.346 2.322 1.00 0.82 C ATOM 1539 C6 DT B 112 -9.848 18.858 3.820 1.00 0.63 C ATOM 0 H5' DT B 112 -10.039 14.768 5.630 1.00 0.61 H new ATOM 0 H5'' DT B 112 -10.802 15.291 7.119 1.00 0.61 H new ATOM 0 H4' DT B 112 -8.436 15.779 7.172 1.00 0.55 H new ATOM 0 H3' DT B 112 -10.464 17.825 7.520 1.00 0.60 H new ATOM 0 H2' DT B 112 -9.517 19.580 6.366 1.00 0.59 H new ATOM 0 H2'' DT B 112 -8.043 19.376 7.292 1.00 0.59 H new ATOM 0 H1' DT B 112 -6.990 18.426 5.494 1.00 0.54 H new ATOM 0 H3 DT B 112 -7.457 20.816 1.739 1.00 0.74 H new ATOM 0 H71 DT B 112 -12.180 18.391 2.674 1.00 0.82 H new ATOM 0 H72 DT B 112 -12.351 20.159 2.783 1.00 0.82 H new ATOM 0 H73 DT B 112 -11.893 19.403 1.238 1.00 0.82 H new ATOM 0 H6 DT B 112 -10.531 18.287 4.431 1.00 0.63 H new ATOM 1552 P DC B 113 -9.381 18.533 9.905 1.00 0.76 P ATOM 1553 OP1 DC B 113 -9.348 17.760 11.167 1.00 0.96 O ATOM 1554 OP2 DC B 113 -10.644 19.161 9.458 1.00 0.79 O ATOM 1555 O5' DC B 113 -8.250 19.676 9.984 1.00 0.81 O ATOM 1556 C5' DC B 113 -6.950 19.375 10.499 1.00 0.91 C ATOM 1557 C4' DC B 113 -5.952 20.500 10.205 1.00 1.00 C ATOM 1558 O4' DC B 113 -5.986 20.851 8.805 1.00 0.92 O ATOM 1559 C3' DC B 113 -6.244 21.764 11.024 1.00 1.14 C ATOM 1560 O3' DC B 113 -5.219 21.986 11.995 1.00 1.38 O ATOM 1561 C2' DC B 113 -6.290 22.899 10.021 1.00 1.16 C ATOM 1562 C1' DC B 113 -6.102 22.280 8.638 1.00 0.99 C ATOM 1563 N1 DC B 113 -7.253 22.605 7.762 1.00 0.89 N ATOM 1564 C2 DC B 113 -7.096 23.595 6.797 1.00 0.92 C ATOM 1565 O2 DC B 113 -6.018 24.175 6.681 1.00 1.01 O ATOM 1566 N3 DC B 113 -8.157 23.894 5.999 1.00 0.94 N ATOM 1567 C4 DC B 113 -9.324 23.252 6.138 1.00 0.96 C ATOM 1568 N4 DC B 113 -10.343 23.568 5.340 1.00 1.11 N ATOM 1569 C5 DC B 113 -9.489 22.233 7.129 1.00 0.91 C ATOM 1570 C6 DC B 113 -8.432 21.947 7.914 1.00 0.85 C ATOM 0 H5' DC B 113 -6.590 18.445 10.059 1.00 0.91 H new ATOM 0 H5'' DC B 113 -7.012 19.215 11.575 1.00 0.91 H new ATOM 0 H4' DC B 113 -4.968 20.122 10.482 1.00 1.00 H new ATOM 0 H3' DC B 113 -7.180 21.678 11.575 1.00 1.14 H new ATOM 0 H2' DC B 113 -7.241 23.428 10.081 1.00 1.16 H new ATOM 0 H2'' DC B 113 -5.506 23.628 10.227 1.00 1.16 H new ATOM 0 HO3' DC B 113 -5.422 22.797 12.506 1.00 1.38 H new ATOM 0 H1' DC B 113 -5.205 22.680 8.166 1.00 0.99 H new ATOM 0 H41 DC B 113 -11.236 23.085 5.438 1.00 1.11 H new ATOM 0 H42 DC B 113 -10.230 24.293 4.631 1.00 1.11 H new ATOM 0 H5 DC B 113 -10.428 21.712 7.244 1.00 0.91 H new ATOM 0 H6 DC B 113 -8.523 21.185 8.674 1.00 0.85 H new TER 1583 DC B 113 ATOM 1584 O5' DG C 114 -8.012 30.061 -2.218 1.00 2.07 O ATOM 1585 C5' DG C 114 -6.913 30.974 -2.157 1.00 2.03 C ATOM 1586 C4' DG C 114 -5.668 30.316 -1.555 1.00 1.74 C ATOM 1587 O4' DG C 114 -5.919 29.928 -0.186 1.00 1.68 O ATOM 1588 C3' DG C 114 -5.236 29.069 -2.338 1.00 1.52 C ATOM 1589 O3' DG C 114 -3.933 29.251 -2.898 1.00 1.50 O ATOM 1590 C2' DG C 114 -5.235 27.933 -1.336 1.00 1.32 C ATOM 1591 C1' DG C 114 -5.667 28.520 0.004 1.00 1.41 C ATOM 1592 N9 DG C 114 -6.880 27.842 0.504 1.00 1.37 N ATOM 1593 C8 DG C 114 -8.140 27.836 -0.023 1.00 1.49 C ATOM 1594 N7 DG C 114 -9.014 27.142 0.643 1.00 1.49 N ATOM 1595 C5 DG C 114 -8.274 26.639 1.711 1.00 1.32 C ATOM 1596 C6 DG C 114 -8.681 25.804 2.787 1.00 1.26 C ATOM 1597 O6 DG C 114 -9.796 25.338 3.011 1.00 1.34 O ATOM 1598 N1 DG C 114 -7.626 25.530 3.647 1.00 1.14 N ATOM 1599 C2 DG C 114 -6.337 25.999 3.494 1.00 1.14 C ATOM 1600 N2 DG C 114 -5.459 25.626 4.426 1.00 1.15 N ATOM 1601 N3 DG C 114 -5.950 26.784 2.484 1.00 1.21 N ATOM 1602 C4 DG C 114 -6.966 27.062 1.634 1.00 1.27 C ATOM 0 H5' DG C 114 -7.192 31.841 -1.559 1.00 2.03 H new ATOM 0 H5'' DG C 114 -6.685 31.338 -3.159 1.00 2.03 H new ATOM 0 H4' DG C 114 -4.868 31.055 -1.605 1.00 1.74 H new ATOM 0 H3' DG C 114 -5.909 28.866 -3.171 1.00 1.52 H new ATOM 0 H2' DG C 114 -5.917 27.142 -1.649 1.00 1.32 H new ATOM 0 H2'' DG C 114 -4.243 27.487 -1.260 1.00 1.32 H new ATOM 0 HO5' DG C 114 -8.791 30.512 -2.605 1.00 2.07 H new ATOM 0 H1' DG C 114 -4.881 28.375 0.745 1.00 1.41 H new ATOM 0 H8 DG C 114 -8.392 28.369 -0.928 1.00 1.49 H new ATOM 0 H1 DG C 114 -7.818 24.936 4.454 1.00 1.14 H new ATOM 0 H21 DG C 114 -4.490 25.940 4.369 1.00 1.15 H new ATOM 0 H22 DG C 114 -5.756 25.027 5.196 1.00 1.15 H new ATOM 1615 P DA C 115 -3.305 28.145 -3.884 1.00 1.41 P ATOM 1616 OP1 DA C 115 -2.296 28.808 -4.741 1.00 1.52 O ATOM 1617 OP2 DA C 115 -4.418 27.391 -4.503 1.00 1.51 O ATOM 1618 O5' DA C 115 -2.536 27.163 -2.867 1.00 1.30 O ATOM 1619 C5' DA C 115 -1.579 27.683 -1.939 1.00 1.33 C ATOM 1620 C4' DA C 115 -0.987 26.574 -1.063 1.00 1.22 C ATOM 1621 O4' DA C 115 -2.020 25.981 -0.241 1.00 1.15 O ATOM 1622 C3' DA C 115 -0.340 25.462 -1.899 1.00 1.17 C ATOM 1623 O3' DA C 115 1.042 25.310 -1.549 1.00 1.22 O ATOM 1624 C2' DA C 115 -1.119 24.204 -1.577 1.00 1.14 C ATOM 1625 C1' DA C 115 -2.128 24.565 -0.496 1.00 1.07 C ATOM 1626 N9 DA C 115 -3.501 24.213 -0.909 1.00 1.02 N ATOM 1627 C8 DA C 115 -4.191 24.584 -2.028 1.00 1.08 C ATOM 1628 N7 DA C 115 -5.403 24.118 -2.108 1.00 1.05 N ATOM 1629 C5 DA C 115 -5.531 23.370 -0.937 1.00 0.95 C ATOM 1630 C6 DA C 115 -6.580 22.610 -0.403 1.00 0.90 C ATOM 1631 N6 DA C 115 -7.761 22.471 -1.005 1.00 0.95 N ATOM 1632 N1 DA C 115 -6.365 22.002 0.776 1.00 0.82 N ATOM 1633 C2 DA C 115 -5.191 22.131 1.395 1.00 0.81 C ATOM 1634 N3 DA C 115 -4.137 22.824 0.979 1.00 0.88 N ATOM 1635 C4 DA C 115 -4.379 23.423 -0.204 1.00 0.94 C ATOM 0 H5' DA C 115 -2.054 28.433 -1.307 1.00 1.33 H new ATOM 0 H5'' DA C 115 -0.779 28.185 -2.483 1.00 1.33 H new ATOM 0 H4' DA C 115 -0.220 27.038 -0.443 1.00 1.22 H new ATOM 0 H3' DA C 115 -0.370 25.688 -2.965 1.00 1.17 H new ATOM 0 H2' DA C 115 -1.625 23.827 -2.466 1.00 1.14 H new ATOM 0 H2'' DA C 115 -0.451 23.415 -1.232 1.00 1.14 H new ATOM 0 H1' DA C 115 -1.913 24.001 0.411 1.00 1.07 H new ATOM 0 H8 DA C 115 -3.762 25.218 -2.790 1.00 1.08 H new ATOM 0 H61 DA C 115 -8.491 21.905 -0.572 1.00 0.95 H new ATOM 0 H62 DA C 115 -7.935 22.930 -1.899 1.00 0.95 H new ATOM 0 H2 DA C 115 -5.086 21.615 2.338 1.00 0.81 H new ATOM 1647 P DA C 116 1.928 24.112 -2.168 1.00 1.24 P ATOM 1648 OP1 DA C 116 3.356 24.426 -1.939 1.00 1.44 O ATOM 1649 OP2 DA C 116 1.443 23.838 -3.539 1.00 1.30 O ATOM 1650 O5' DA C 116 1.528 22.861 -1.230 1.00 1.04 O ATOM 1651 C5' DA C 116 1.729 22.922 0.186 1.00 1.07 C ATOM 1652 C4' DA C 116 1.071 21.741 0.912 1.00 0.83 C ATOM 1653 O4' DA C 116 -0.365 21.742 0.715 1.00 0.77 O ATOM 1654 C3' DA C 116 1.612 20.385 0.432 1.00 0.75 C ATOM 1655 O3' DA C 116 2.279 19.710 1.511 1.00 0.74 O ATOM 1656 C2' DA C 116 0.391 19.613 -0.034 1.00 0.62 C ATOM 1657 C1' DA C 116 -0.820 20.403 0.430 1.00 0.62 C ATOM 1658 N9 DA C 116 -1.891 20.394 -0.587 1.00 0.64 N ATOM 1659 C8 DA C 116 -1.910 20.959 -1.825 1.00 0.71 C ATOM 1660 N7 DA C 116 -3.004 20.773 -2.502 1.00 0.74 N ATOM 1661 C5 DA C 116 -3.786 20.016 -1.633 1.00 0.67 C ATOM 1662 C6 DA C 116 -5.074 19.478 -1.740 1.00 0.67 C ATOM 1663 N6 DA C 116 -5.839 19.629 -2.821 1.00 0.75 N ATOM 1664 N1 DA C 116 -5.543 18.781 -0.690 1.00 0.61 N ATOM 1665 C2 DA C 116 -4.791 18.620 0.399 1.00 0.56 C ATOM 1666 N3 DA C 116 -3.562 19.085 0.602 1.00 0.56 N ATOM 1667 C4 DA C 116 -3.118 19.780 -0.466 1.00 0.61 C ATOM 0 H5' DA C 116 1.320 23.857 0.570 1.00 1.07 H new ATOM 0 H5'' DA C 116 2.798 22.929 0.400 1.00 1.07 H new ATOM 0 H4' DA C 116 1.311 21.869 1.967 1.00 0.83 H new ATOM 0 H3' DA C 116 2.345 20.487 -0.369 1.00 0.75 H new ATOM 0 H2' DA C 116 0.391 19.504 -1.119 1.00 0.62 H new ATOM 0 H2'' DA C 116 0.383 18.608 0.387 1.00 0.62 H new ATOM 0 H1' DA C 116 -1.254 19.953 1.323 1.00 0.62 H new ATOM 0 H8 DA C 116 -1.076 21.522 -2.217 1.00 0.71 H new ATOM 0 H61 DA C 116 -6.771 19.216 -2.848 1.00 0.75 H new ATOM 0 H62 DA C 116 -5.492 20.157 -3.621 1.00 0.75 H new ATOM 0 H2 DA C 116 -5.228 18.049 1.205 1.00 0.56 H new ATOM 1679 P DT C 117 2.761 18.176 1.379 1.00 1.08 P ATOM 1680 OP1 DT C 117 3.756 17.909 2.442 1.00 1.74 O ATOM 1681 OP2 DT C 117 3.106 17.917 -0.037 1.00 1.77 O ATOM 1682 O5' DT C 117 1.414 17.358 1.730 1.00 0.82 O ATOM 1683 C5' DT C 117 0.631 17.708 2.877 1.00 0.80 C ATOM 1684 C4' DT C 117 -0.517 16.716 3.118 1.00 0.64 C ATOM 1685 O4' DT C 117 -1.665 17.058 2.306 1.00 0.56 O ATOM 1686 C3' DT C 117 -0.120 15.272 2.785 1.00 0.58 C ATOM 1687 O3' DT C 117 -0.094 14.466 3.963 1.00 0.63 O ATOM 1688 C2' DT C 117 -1.185 14.764 1.833 1.00 0.52 C ATOM 1689 C1' DT C 117 -2.228 15.870 1.710 1.00 0.51 C ATOM 1690 N1 DT C 117 -2.590 16.101 0.285 1.00 0.49 N ATOM 1691 C2 DT C 117 -3.895 15.849 -0.119 1.00 0.55 C ATOM 1692 O2 DT C 117 -4.755 15.448 0.661 1.00 0.62 O ATOM 1693 N3 DT C 117 -4.171 16.076 -1.456 1.00 0.57 N ATOM 1694 C4 DT C 117 -3.276 16.525 -2.408 1.00 0.54 C ATOM 1695 O4 DT C 117 -3.631 16.692 -3.573 1.00 0.59 O ATOM 1696 C5 DT C 117 -1.946 16.760 -1.896 1.00 0.48 C ATOM 1697 C7 DT C 117 -0.857 17.261 -2.841 1.00 0.50 C ATOM 1698 C6 DT C 117 -1.652 16.546 -0.597 1.00 0.46 C ATOM 0 H5' DT C 117 0.222 18.710 2.744 1.00 0.80 H new ATOM 0 H5'' DT C 117 1.273 17.740 3.757 1.00 0.80 H new ATOM 0 H4' DT C 117 -0.758 16.783 4.179 1.00 0.64 H new ATOM 0 H3' DT C 117 0.877 15.228 2.347 1.00 0.58 H new ATOM 0 H2' DT C 117 -0.754 14.529 0.860 1.00 0.52 H new ATOM 0 H2'' DT C 117 -1.636 13.847 2.211 1.00 0.52 H new ATOM 0 H1' DT C 117 -3.148 15.590 2.224 1.00 0.51 H new ATOM 0 H3 DT C 117 -5.125 15.895 -1.768 1.00 0.57 H new ATOM 0 H71 DT C 117 -1.052 16.894 -3.848 1.00 0.50 H new ATOM 0 H72 DT C 117 -0.853 18.351 -2.847 1.00 0.50 H new ATOM 0 H73 DT C 117 0.113 16.897 -2.504 1.00 0.50 H new ATOM 0 H6 DT C 117 -0.647 16.732 -0.247 1.00 0.46 H new ATOM 1711 P DT C 118 0.282 12.905 3.865 1.00 0.67 P ATOM 1712 OP1 DT C 118 0.920 12.506 5.137 1.00 0.79 O ATOM 1713 OP2 DT C 118 0.988 12.679 2.583 1.00 0.71 O ATOM 1714 O5' DT C 118 -1.162 12.198 3.776 1.00 0.64 O ATOM 1715 C5' DT C 118 -2.017 12.142 4.920 1.00 0.70 C ATOM 1716 C4' DT C 118 -3.325 11.406 4.610 1.00 0.66 C ATOM 1717 O4' DT C 118 -3.960 11.982 3.446 1.00 0.64 O ATOM 1718 C3' DT C 118 -3.101 9.912 4.345 1.00 0.63 C ATOM 1719 O3' DT C 118 -3.743 9.118 5.347 1.00 0.66 O ATOM 1720 C2' DT C 118 -3.704 9.641 2.982 1.00 0.61 C ATOM 1721 C1' DT C 118 -4.262 10.965 2.468 1.00 0.61 C ATOM 1722 N1 DT C 118 -3.651 11.312 1.156 1.00 0.58 N ATOM 1723 C2 DT C 118 -4.473 11.361 0.038 1.00 0.59 C ATOM 1724 O2 DT C 118 -5.677 11.128 0.103 1.00 0.62 O ATOM 1725 N3 DT C 118 -3.858 11.688 -1.156 1.00 0.59 N ATOM 1726 C4 DT C 118 -2.514 11.965 -1.333 1.00 0.58 C ATOM 1727 O4 DT C 118 -2.074 12.244 -2.446 1.00 0.60 O ATOM 1728 C5 DT C 118 -1.733 11.891 -0.120 1.00 0.57 C ATOM 1729 C7 DT C 118 -0.230 12.176 -0.185 1.00 0.58 C ATOM 1730 C6 DT C 118 -2.310 11.574 1.062 1.00 0.57 C ATOM 0 H5' DT C 118 -2.239 13.154 5.259 1.00 0.70 H new ATOM 0 H5'' DT C 118 -1.500 11.639 5.737 1.00 0.70 H new ATOM 0 H4' DT C 118 -3.960 11.514 5.489 1.00 0.66 H new ATOM 0 H3' DT C 118 -2.042 9.656 4.373 1.00 0.63 H new ATOM 0 H2' DT C 118 -2.951 9.249 2.298 1.00 0.61 H new ATOM 0 H2'' DT C 118 -4.492 8.892 3.052 1.00 0.61 H new ATOM 0 H1' DT C 118 -5.340 10.888 2.322 1.00 0.61 H new ATOM 0 H3 DT C 118 -4.451 11.729 -1.985 1.00 0.59 H new ATOM 0 H71 DT C 118 0.153 11.890 -1.165 1.00 0.58 H new ATOM 0 H72 DT C 118 -0.054 13.239 -0.023 1.00 0.58 H new ATOM 0 H73 DT C 118 0.283 11.602 0.586 1.00 0.58 H new ATOM 0 H6 DT C 118 -1.699 11.526 1.952 1.00 0.57 H new ATOM 1743 P DT C 119 -3.731 7.511 5.247 1.00 0.64 P ATOM 1744 OP1 DT C 119 -4.246 6.964 6.522 1.00 0.70 O ATOM 1745 OP2 DT C 119 -2.405 7.088 4.745 1.00 0.64 O ATOM 1746 O5' DT C 119 -4.822 7.221 4.098 1.00 0.60 O ATOM 1747 C5' DT C 119 -6.208 7.108 4.428 1.00 0.66 C ATOM 1748 C4' DT C 119 -7.056 6.745 3.204 1.00 0.63 C ATOM 1749 O4' DT C 119 -6.727 7.607 2.091 1.00 0.59 O ATOM 1750 C3' DT C 119 -6.845 5.291 2.760 1.00 0.59 C ATOM 1751 O3' DT C 119 -8.040 4.525 2.932 1.00 0.64 O ATOM 1752 C2' DT C 119 -6.472 5.361 1.295 1.00 0.53 C ATOM 1753 C1' DT C 119 -6.523 6.832 0.891 1.00 0.53 C ATOM 1754 N1 DT C 119 -5.260 7.236 0.210 1.00 0.48 N ATOM 1755 C2 DT C 119 -5.335 7.678 -1.104 1.00 0.47 C ATOM 1756 O2 DT C 119 -6.404 7.754 -1.707 1.00 0.49 O ATOM 1757 N3 DT C 119 -4.138 8.030 -1.699 1.00 0.45 N ATOM 1758 C4 DT C 119 -2.888 7.980 -1.109 1.00 0.44 C ATOM 1759 O4 DT C 119 -1.886 8.316 -1.739 1.00 0.45 O ATOM 1760 C5 DT C 119 -2.900 7.509 0.258 1.00 0.46 C ATOM 1761 C7 DT C 119 -1.574 7.395 1.016 1.00 0.48 C ATOM 1762 C6 DT C 119 -4.058 7.160 0.864 1.00 0.48 C ATOM 0 H5' DT C 119 -6.560 8.050 4.848 1.00 0.66 H new ATOM 0 H5'' DT C 119 -6.338 6.348 5.198 1.00 0.66 H new ATOM 0 H4' DT C 119 -8.097 6.875 3.499 1.00 0.63 H new ATOM 0 H3' DT C 119 -6.072 4.804 3.354 1.00 0.59 H new ATOM 0 H2' DT C 119 -5.476 4.950 1.131 1.00 0.53 H new ATOM 0 H2'' DT C 119 -7.163 4.771 0.693 1.00 0.53 H new ATOM 0 H1' DT C 119 -7.337 7.003 0.187 1.00 0.53 H new ATOM 0 H3 DT C 119 -4.181 8.357 -2.664 1.00 0.45 H new ATOM 0 H71 DT C 119 -1.748 7.556 2.080 1.00 0.48 H new ATOM 0 H72 DT C 119 -1.152 6.401 0.864 1.00 0.48 H new ATOM 0 H73 DT C 119 -0.877 8.146 0.644 1.00 0.48 H new ATOM 0 H6 DT C 119 -4.035 6.814 1.887 1.00 0.48 H new ATOM 1775 P DA C 120 -8.068 2.962 2.544 1.00 0.63 P ATOM 1776 OP1 DA C 120 -9.355 2.394 3.005 1.00 0.68 O ATOM 1777 OP2 DA C 120 -6.794 2.353 2.985 1.00 0.66 O ATOM 1778 O5' DA C 120 -8.081 2.994 0.933 1.00 0.56 O ATOM 1779 C5' DA C 120 -9.221 2.523 0.209 1.00 0.54 C ATOM 1780 C4' DA C 120 -8.846 2.025 -1.192 1.00 0.48 C ATOM 1781 O4' DA C 120 -7.968 2.969 -1.847 1.00 0.47 O ATOM 1782 C3' DA C 120 -8.143 0.661 -1.156 1.00 0.46 C ATOM 1783 O3' DA C 120 -8.948 -0.338 -1.788 1.00 0.47 O ATOM 1784 C2' DA C 120 -6.840 0.851 -1.909 1.00 0.44 C ATOM 1785 C1' DA C 120 -6.812 2.297 -2.392 1.00 0.42 C ATOM 1786 N9 DA C 120 -5.569 2.965 -1.962 1.00 0.41 N ATOM 1787 C8 DA C 120 -5.076 3.132 -0.702 1.00 0.44 C ATOM 1788 N7 DA C 120 -3.944 3.767 -0.632 1.00 0.44 N ATOM 1789 C5 DA C 120 -3.658 4.049 -1.966 1.00 0.41 C ATOM 1790 C6 DA C 120 -2.592 4.709 -2.588 1.00 0.41 C ATOM 1791 N6 DA C 120 -1.565 5.234 -1.918 1.00 0.45 N ATOM 1792 N1 DA C 120 -2.624 4.809 -3.928 1.00 0.40 N ATOM 1793 C2 DA C 120 -3.642 4.292 -4.617 1.00 0.39 C ATOM 1794 N3 DA C 120 -4.699 3.651 -4.127 1.00 0.38 N ATOM 1795 C4 DA C 120 -4.641 3.564 -2.783 1.00 0.39 C ATOM 0 H5' DA C 120 -9.954 3.326 0.124 1.00 0.54 H new ATOM 0 H5'' DA C 120 -9.696 1.715 0.766 1.00 0.54 H new ATOM 0 H4' DA C 120 -9.781 1.924 -1.743 1.00 0.48 H new ATOM 0 H3' DA C 120 -7.971 0.326 -0.133 1.00 0.46 H new ATOM 0 H2' DA C 120 -5.987 0.644 -1.263 1.00 0.44 H new ATOM 0 H2'' DA C 120 -6.777 0.162 -2.751 1.00 0.44 H new ATOM 0 H1' DA C 120 -6.838 2.330 -3.481 1.00 0.42 H new ATOM 0 H8 DA C 120 -5.589 2.764 0.174 1.00 0.44 H new ATOM 0 H61 DA C 120 -0.814 5.705 -2.423 1.00 0.45 H new ATOM 0 H62 DA C 120 -1.531 5.165 -0.901 1.00 0.45 H new ATOM 0 H2 DA C 120 -3.604 4.406 -5.690 1.00 0.39 H new ATOM 1807 P DC C 121 -8.399 -1.841 -1.965 1.00 0.48 P ATOM 1808 OP1 DC C 121 -9.555 -2.729 -2.224 1.00 0.54 O ATOM 1809 OP2 DC C 121 -7.480 -2.134 -0.842 1.00 0.52 O ATOM 1810 O5' DC C 121 -7.529 -1.739 -3.316 1.00 0.43 O ATOM 1811 C5' DC C 121 -8.140 -1.326 -4.541 1.00 0.43 C ATOM 1812 C4' DC C 121 -7.270 -1.680 -5.753 1.00 0.41 C ATOM 1813 O4' DC C 121 -6.256 -0.670 -5.959 1.00 0.41 O ATOM 1814 C3' DC C 121 -6.574 -3.038 -5.590 1.00 0.41 C ATOM 1815 O3' DC C 121 -7.057 -3.967 -6.573 1.00 0.44 O ATOM 1816 C2' DC C 121 -5.093 -2.760 -5.774 1.00 0.38 C ATOM 1817 C1' DC C 121 -4.944 -1.267 -6.046 1.00 0.37 C ATOM 1818 N1 DC C 121 -4.018 -0.623 -5.071 1.00 0.36 N ATOM 1819 C2 DC C 121 -2.940 0.106 -5.570 1.00 0.36 C ATOM 1820 O2 DC C 121 -2.757 0.176 -6.783 1.00 0.36 O ATOM 1821 N3 DC C 121 -2.112 0.727 -4.688 1.00 0.38 N ATOM 1822 C4 DC C 121 -2.324 0.644 -3.370 1.00 0.39 C ATOM 1823 N4 DC C 121 -1.495 1.268 -2.533 1.00 0.43 N ATOM 1824 C5 DC C 121 -3.426 -0.102 -2.847 1.00 0.38 C ATOM 1825 C6 DC C 121 -4.241 -0.718 -3.726 1.00 0.38 C ATOM 0 H5' DC C 121 -8.312 -0.250 -4.518 1.00 0.43 H new ATOM 0 H5'' DC C 121 -9.115 -1.803 -4.641 1.00 0.43 H new ATOM 0 H4' DC C 121 -7.939 -1.731 -6.612 1.00 0.41 H new ATOM 0 H3' DC C 121 -6.772 -3.487 -4.617 1.00 0.41 H new ATOM 0 H2' DC C 121 -4.534 -3.046 -4.883 1.00 0.38 H new ATOM 0 H2'' DC C 121 -4.692 -3.344 -6.603 1.00 0.38 H new ATOM 0 H1' DC C 121 -4.516 -1.118 -7.037 1.00 0.37 H new ATOM 0 H41 DC C 121 -1.648 1.211 -1.526 1.00 0.43 H new ATOM 0 H42 DC C 121 -0.707 1.803 -2.899 1.00 0.43 H new ATOM 0 H5 DC C 121 -3.599 -0.170 -1.783 1.00 0.38 H new ATOM 0 H6 DC C 121 -5.080 -1.293 -3.363 1.00 0.38 H new ATOM 1837 P DT C 122 -6.313 -5.375 -6.836 1.00 0.46 P ATOM 1838 OP1 DT C 122 -7.308 -6.334 -7.366 1.00 0.52 O ATOM 1839 OP2 DT C 122 -5.525 -5.716 -5.630 1.00 0.46 O ATOM 1840 O5' DT C 122 -5.286 -5.001 -8.022 1.00 0.44 O ATOM 1841 C5' DT C 122 -5.640 -4.009 -8.992 1.00 0.51 C ATOM 1842 C4' DT C 122 -4.417 -3.458 -9.735 1.00 0.43 C ATOM 1843 O4' DT C 122 -3.656 -2.573 -8.880 1.00 0.43 O ATOM 1844 C3' DT C 122 -3.475 -4.569 -10.221 1.00 0.42 C ATOM 1845 O3' DT C 122 -3.464 -4.624 -11.651 1.00 0.46 O ATOM 1846 C2' DT C 122 -2.100 -4.195 -9.697 1.00 0.39 C ATOM 1847 C1' DT C 122 -2.244 -2.833 -9.022 1.00 0.40 C ATOM 1848 N1 DT C 122 -1.561 -2.805 -7.697 1.00 0.40 N ATOM 1849 C2 DT C 122 -0.533 -1.890 -7.499 1.00 0.45 C ATOM 1850 O2 DT C 122 -0.163 -1.122 -8.385 1.00 0.49 O ATOM 1851 N3 DT C 122 0.052 -1.894 -6.246 1.00 0.47 N ATOM 1852 C4 DT C 122 -0.292 -2.719 -5.188 1.00 0.47 C ATOM 1853 O4 DT C 122 0.294 -2.637 -4.112 1.00 0.52 O ATOM 1854 C5 DT C 122 -1.369 -3.635 -5.489 1.00 0.44 C ATOM 1855 C7 DT C 122 -1.862 -4.602 -4.415 1.00 0.49 C ATOM 1856 C6 DT C 122 -1.951 -3.650 -6.701 1.00 0.40 C ATOM 0 H5' DT C 122 -6.161 -3.190 -8.497 1.00 0.51 H new ATOM 0 H5'' DT C 122 -6.336 -4.440 -9.712 1.00 0.51 H new ATOM 0 H4' DT C 122 -4.807 -2.921 -10.600 1.00 0.43 H new ATOM 0 H3' DT C 122 -3.791 -5.550 -9.866 1.00 0.42 H new ATOM 0 H2' DT C 122 -1.739 -4.941 -8.989 1.00 0.39 H new ATOM 0 H2'' DT C 122 -1.375 -4.150 -10.510 1.00 0.39 H new ATOM 0 H1' DT C 122 -1.770 -2.062 -9.629 1.00 0.40 H new ATOM 0 H3 DT C 122 0.807 -1.227 -6.086 1.00 0.47 H new ATOM 0 H71 DT C 122 -2.920 -4.810 -4.571 1.00 0.49 H new ATOM 0 H72 DT C 122 -1.296 -5.532 -4.475 1.00 0.49 H new ATOM 0 H73 DT C 122 -1.722 -4.155 -3.431 1.00 0.49 H new ATOM 0 H6 DT C 122 -2.750 -4.351 -6.891 1.00 0.40 H new ATOM 1869 P DA C 123 -2.516 -5.670 -12.424 1.00 0.53 P ATOM 1870 OP1 DA C 123 -2.863 -5.635 -13.862 1.00 0.62 O ATOM 1871 OP2 DA C 123 -2.545 -6.954 -11.688 1.00 0.59 O ATOM 1872 O5' DA C 123 -1.056 -5.017 -12.242 1.00 0.52 O ATOM 1873 C5' DA C 123 -0.499 -4.185 -13.263 1.00 0.56 C ATOM 1874 C4' DA C 123 1.032 -4.227 -13.247 1.00 0.51 C ATOM 1875 O4' DA C 123 1.537 -3.637 -12.027 1.00 0.46 O ATOM 1876 C3' DA C 123 1.569 -5.662 -13.347 1.00 0.49 C ATOM 1877 O3' DA C 123 2.348 -5.835 -14.536 1.00 0.53 O ATOM 1878 C2' DA C 123 2.426 -5.863 -12.115 1.00 0.40 C ATOM 1879 C1' DA C 123 2.390 -4.564 -11.323 1.00 0.39 C ATOM 1880 N9 DA C 123 1.895 -4.792 -9.949 1.00 0.36 N ATOM 1881 C8 DA C 123 0.784 -5.466 -9.528 1.00 0.37 C ATOM 1882 N7 DA C 123 0.617 -5.502 -8.239 1.00 0.35 N ATOM 1883 C5 DA C 123 1.714 -4.787 -7.759 1.00 0.32 C ATOM 1884 C6 DA C 123 2.138 -4.453 -6.467 1.00 0.31 C ATOM 1885 N6 DA C 123 1.483 -4.820 -5.366 1.00 0.31 N ATOM 1886 N1 DA C 123 3.270 -3.736 -6.353 1.00 0.32 N ATOM 1887 C2 DA C 123 3.945 -3.369 -7.443 1.00 0.33 C ATOM 1888 N3 DA C 123 3.633 -3.633 -8.707 1.00 0.33 N ATOM 1889 C4 DA C 123 2.495 -4.352 -8.792 1.00 0.33 C ATOM 0 H5' DA C 123 -0.837 -3.158 -13.122 1.00 0.56 H new ATOM 0 H5'' DA C 123 -0.863 -4.510 -14.238 1.00 0.56 H new ATOM 0 H4' DA C 123 1.372 -3.663 -14.115 1.00 0.51 H new ATOM 0 H3' DA C 123 0.758 -6.388 -13.399 1.00 0.49 H new ATOM 0 H2' DA C 123 2.048 -6.690 -11.514 1.00 0.40 H new ATOM 0 H2'' DA C 123 3.449 -6.114 -12.395 1.00 0.40 H new ATOM 0 H1' DA C 123 3.397 -4.156 -11.235 1.00 0.39 H new ATOM 0 H8 DA C 123 0.095 -5.935 -10.215 1.00 0.37 H new ATOM 0 H61 DA C 123 1.836 -4.549 -4.448 1.00 0.31 H new ATOM 0 H62 DA C 123 0.628 -5.372 -5.441 1.00 0.31 H new ATOM 0 H2 DA C 123 4.844 -2.794 -7.280 1.00 0.33 H new ATOM 1901 P DC C 124 3.160 -7.204 -14.796 1.00 0.53 P ATOM 1902 OP1 DC C 124 3.745 -7.146 -16.154 1.00 0.60 O ATOM 1903 OP2 DC C 124 2.288 -8.338 -14.415 1.00 0.56 O ATOM 1904 O5' DC C 124 4.363 -7.109 -13.722 1.00 0.44 O ATOM 1905 C5' DC C 124 5.538 -6.347 -14.020 1.00 0.45 C ATOM 1906 C4' DC C 124 6.553 -6.366 -12.868 1.00 0.37 C ATOM 1907 O4' DC C 124 5.952 -5.868 -11.649 1.00 0.34 O ATOM 1908 C3' DC C 124 7.091 -7.778 -12.584 1.00 0.35 C ATOM 1909 O3' DC C 124 8.484 -7.865 -12.901 1.00 0.37 O ATOM 1910 C2' DC C 124 6.879 -8.001 -11.098 1.00 0.32 C ATOM 1911 C1' DC C 124 6.350 -6.687 -10.530 1.00 0.29 C ATOM 1912 N1 DC C 124 5.210 -6.923 -9.600 1.00 0.27 N ATOM 1913 C2 DC C 124 5.342 -6.524 -8.272 1.00 0.26 C ATOM 1914 O2 DC C 124 6.376 -5.980 -7.892 1.00 0.29 O ATOM 1915 N3 DC C 124 4.303 -6.754 -7.422 1.00 0.25 N ATOM 1916 C4 DC C 124 3.181 -7.345 -7.852 1.00 0.26 C ATOM 1917 N4 DC C 124 2.183 -7.555 -6.995 1.00 0.28 N ATOM 1918 C5 DC C 124 3.043 -7.753 -9.215 1.00 0.30 C ATOM 1919 C6 DC C 124 4.077 -7.521 -10.045 1.00 0.30 C ATOM 0 H5' DC C 124 5.255 -5.317 -14.235 1.00 0.45 H new ATOM 0 H5'' DC C 124 6.007 -6.743 -14.921 1.00 0.45 H new ATOM 0 H4' DC C 124 7.378 -5.727 -13.182 1.00 0.37 H new ATOM 0 H3' DC C 124 6.581 -8.528 -13.189 1.00 0.35 H new ATOM 0 H2' DC C 124 6.170 -8.811 -10.925 1.00 0.32 H new ATOM 0 H2'' DC C 124 7.812 -8.285 -10.612 1.00 0.32 H new ATOM 0 H1' DC C 124 7.122 -6.185 -9.948 1.00 0.29 H new ATOM 0 H41 DC C 124 1.324 -8.004 -7.313 1.00 0.28 H new ATOM 0 H42 DC C 124 2.278 -7.266 -6.021 1.00 0.28 H new ATOM 0 H5 DC C 124 2.141 -8.231 -9.567 1.00 0.30 H new ATOM 0 H6 DC C 124 4.003 -7.816 -11.081 1.00 0.30 H new ATOM 1931 P DT C 125 9.298 -9.232 -12.643 1.00 0.40 P ATOM 1932 OP1 DT C 125 10.572 -9.162 -13.393 1.00 0.46 O ATOM 1933 OP2 DT C 125 8.375 -10.369 -12.860 1.00 0.42 O ATOM 1934 O5' DT C 125 9.634 -9.149 -11.069 1.00 0.39 O ATOM 1935 C5' DT C 125 10.456 -8.095 -10.561 1.00 0.43 C ATOM 1936 C4' DT C 125 10.683 -8.222 -9.051 1.00 0.41 C ATOM 1937 O4' DT C 125 9.458 -7.946 -8.333 1.00 0.37 O ATOM 1938 C3' DT C 125 11.162 -9.624 -8.648 1.00 0.47 C ATOM 1939 O3' DT C 125 12.500 -9.580 -8.148 1.00 0.55 O ATOM 1940 C2' DT C 125 10.213 -10.079 -7.557 1.00 0.45 C ATOM 1941 C1' DT C 125 9.277 -8.905 -7.272 1.00 0.39 C ATOM 1942 N1 DT C 125 7.855 -9.349 -7.181 1.00 0.35 N ATOM 1943 C2 DT C 125 7.167 -9.114 -5.997 1.00 0.38 C ATOM 1944 O2 DT C 125 7.691 -8.549 -5.040 1.00 0.43 O ATOM 1945 N3 DT C 125 5.857 -9.552 -5.955 1.00 0.38 N ATOM 1946 C4 DT C 125 5.179 -10.198 -6.971 1.00 0.36 C ATOM 1947 O4 DT C 125 4.013 -10.557 -6.813 1.00 0.39 O ATOM 1948 C5 DT C 125 5.967 -10.400 -8.168 1.00 0.34 C ATOM 1949 C7 DT C 125 5.330 -11.114 -9.365 1.00 0.37 C ATOM 1950 C6 DT C 125 7.254 -9.977 -8.234 1.00 0.34 C ATOM 0 H5' DT C 125 9.989 -7.134 -10.778 1.00 0.43 H new ATOM 0 H5'' DT C 125 11.417 -8.105 -11.074 1.00 0.43 H new ATOM 0 H4' DT C 125 11.456 -7.498 -8.794 1.00 0.41 H new ATOM 0 H3' DT C 125 11.164 -10.304 -9.500 1.00 0.47 H new ATOM 0 H2' DT C 125 9.649 -10.955 -7.876 1.00 0.45 H new ATOM 0 H2'' DT C 125 10.763 -10.363 -6.659 1.00 0.45 H new ATOM 0 H1' DT C 125 9.517 -8.457 -6.308 1.00 0.39 H new ATOM 0 H3 DT C 125 5.341 -9.382 -5.092 1.00 0.38 H new ATOM 0 H71 DT C 125 4.582 -11.823 -9.010 1.00 0.37 H new ATOM 0 H72 DT C 125 4.854 -10.380 -10.015 1.00 0.37 H new ATOM 0 H73 DT C 125 6.100 -11.648 -9.922 1.00 0.37 H new ATOM 0 H6 DT C 125 7.817 -10.141 -9.141 1.00 0.34 H new ATOM 1963 P DC C 126 13.271 -10.940 -7.759 1.00 0.64 P ATOM 1964 OP1 DC C 126 14.626 -10.584 -7.284 1.00 0.75 O ATOM 1965 OP2 DC C 126 13.109 -11.899 -8.875 1.00 0.67 O ATOM 1966 O5' DC C 126 12.421 -11.483 -6.501 1.00 0.64 O ATOM 1967 C5' DC C 126 12.809 -11.156 -5.162 1.00 0.71 C ATOM 1968 C4' DC C 126 12.549 -12.317 -4.196 1.00 0.73 C ATOM 1969 O4' DC C 126 11.160 -12.337 -3.795 1.00 0.71 O ATOM 1970 C3' DC C 126 12.886 -13.679 -4.817 1.00 0.79 C ATOM 1971 O3' DC C 126 13.987 -14.285 -4.137 1.00 0.89 O ATOM 1972 C2' DC C 126 11.636 -14.522 -4.659 1.00 0.80 C ATOM 1973 C1' DC C 126 10.616 -13.668 -3.911 1.00 0.74 C ATOM 1974 N1 DC C 126 9.320 -13.644 -4.638 1.00 0.68 N ATOM 1975 C2 DC C 126 8.214 -14.250 -4.048 1.00 0.79 C ATOM 1976 O2 DC C 126 8.323 -14.785 -2.947 1.00 0.98 O ATOM 1977 N3 DC C 126 7.029 -14.231 -4.720 1.00 0.77 N ATOM 1978 C4 DC C 126 6.931 -13.642 -5.919 1.00 0.64 C ATOM 1979 N4 DC C 126 5.757 -13.635 -6.553 1.00 0.64 N ATOM 1980 C5 DC C 126 8.065 -13.019 -6.527 1.00 0.63 C ATOM 1981 C6 DC C 126 9.232 -13.044 -5.853 1.00 0.65 C ATOM 0 H5' DC C 126 12.259 -10.276 -4.829 1.00 0.71 H new ATOM 0 H5'' DC C 126 13.868 -10.897 -5.143 1.00 0.71 H new ATOM 0 H4' DC C 126 13.198 -12.154 -3.336 1.00 0.73 H new ATOM 0 H3' DC C 126 13.177 -13.581 -5.863 1.00 0.79 H new ATOM 0 H2' DC C 126 11.248 -14.823 -5.632 1.00 0.80 H new ATOM 0 H2'' DC C 126 11.854 -15.436 -4.106 1.00 0.80 H new ATOM 0 HO3' DC C 126 14.186 -15.153 -4.546 1.00 0.89 H new ATOM 0 H1' DC C 126 10.425 -14.085 -2.922 1.00 0.74 H new ATOM 0 H41 DC C 126 5.673 -13.189 -7.466 1.00 0.64 H new ATOM 0 H42 DC C 126 4.943 -14.076 -6.124 1.00 0.64 H new ATOM 0 H5 DC C 126 7.989 -12.544 -7.494 1.00 0.63 H new ATOM 0 H6 DC C 126 10.107 -12.581 -6.284 1.00 0.65 H new TER 1994 DC C 126 END