USER MOD reduce.3.24.130724 H: found=0, std=0, add=1483, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1483 hydrogens (0 hets) HEADER TOXIN/DNA 01-APR-06 2GKD TITLE STRUCTURAL INSIGHT INTO SELF-SACRIFICE MECHANISM OF TITLE 2 ENEDIYNE RESISTANCE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALC; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: 5'-D(*GP*CP*AP*TP*AP*TP*GP*AP*TP*AP*G)-3'; COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 0 MOLECULE: 5'-D(*CP*TP*AP*TP*CP*AP*TP*AP*TP*GP*C)-3'; COMPND 1 CHAIN: C; COMPND 2 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA; SOURCE 3 ORGANISM_TAXID: 1877; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 MOL_ID: 2; SOURCE 7 SYNTHETIC: YES; SOURCE 8 MOL_ID: 3; SOURCE 9 SYNTHETIC: YES KEYWDS START DOMAIN PROTEIN, TOXIN/DNA COMPLEX EXPDTA SOLUTION NMR AUTHOR S.SINGH,J.S.THORSON REVDAT 3 31-MAR-09 2GKD 1 REMARK REVDAT 2 24-FEB-09 2GKD 1 VERSN REVDAT 1 22-AUG-06 2GKD 0 JRNL AUTH S.SINGH,M.H.HAGER,C.ZHANG,B.R.GRIFFITH,M.S.LEE, JRNL AUTH 2 K.HALLENGA,J.L.MARKLEY,J.S.THORSON JRNL TITL STRUCTURAL INSIGHT INTO THE SELF-SACRIFICE JRNL TITL 2 MECHANISM OF ENEDIYNE RESISTANCE. JRNL REF ACS CHEM.BIOL. V. 1 451 2006 JRNL REFN ISSN 1554-8929 JRNL PMID 17168523 JRNL DOI 10.1021/CB6002898 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2, HADDOCK 1.1 REMARK 3 AUTHORS : BRUNGER A.T. (CNS), BONVIN, AMJJ (HADDOCK) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2GKD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-MAY-06. REMARK 100 THE RCSB ID CODE IS RCSB037226. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 150 MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : U-15N, CALC, 50MM PHOSPHATE REMARK 210 BUFFER, 150 MM NACL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : SIMULATED ANNEALING, REMARK 210 MOLECULAR DYNAMICS, DOCKING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NMR CHEMICAL SHIFT PERTURBATION INFORMATION WAS USED REMARK 210 FOR DOCKING. 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 DA B 10 O3' DA B 10 C3' -0.047 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DT B 4 O4' - C4' - C3' ANGL. DEV. = -2.4 DEGREES REMARK 500 DA B 5 O4' - C4' - C3' ANGL. DEV. = -2.6 DEGREES REMARK 500 DA B 5 O3' - P - OP2 ANGL. DEV. = -16.8 DEGREES REMARK 500 DA B 5 O3' - P - OP1 ANGL. DEV. = 20.8 DEGREES REMARK 500 DT B 9 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DA B 10 O4' - C1' - C2' ANGL. DEV. = 3.0 DEGREES REMARK 500 DG B 11 O5' - P - OP1 ANGL. DEV. = -5.9 DEGREES REMARK 500 DT C 15 O3' - P - OP1 ANGL. DEV. = 11.6 DEGREES REMARK 500 DA C 17 N1 - C6 - N6 ANGL. DEV. = 3.6 DEGREES REMARK 500 DA C 17 C5 - C6 - N6 ANGL. DEV. = -5.4 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 ASP A 15 165.55 141.65 REMARK 500 TRP A 31 21.19 -142.00 REMARK 500 PHE A 35 46.77 -74.51 REMARK 500 LYS A 39 -146.37 -146.02 REMARK 500 PRO A 43 66.69 -69.40 REMARK 500 LEU A 44 -85.71 -174.77 REMARK 500 HIS A 63 133.60 -31.41 REMARK 500 ASP A 72 63.50 -101.64 REMARK 500 GLU A 73 -170.39 48.27 REMARK 500 PRO A 74 84.12 -60.36 REMARK 500 ASP A 75 -70.00 -172.86 REMARK 500 ARG A 82 149.58 -177.78 REMARK 500 LEU A 83 -159.99 -138.86 REMARK 500 PHE A 86 -152.54 -130.87 REMARK 500 PRO A 91 41.57 -67.41 REMARK 500 SER A 94 -48.44 68.12 REMARK 500 SER A 95 87.25 29.33 REMARK 500 GLN A 106 19.60 58.09 REMARK 500 LYS A 107 14.17 -142.40 REMARK 500 HIS A 117 -69.45 -175.12 REMARK 500 MET A 121 4.56 -60.90 REMARK 500 THR A 123 -93.19 82.37 REMARK 500 ALA A 153 -53.55 -172.56 REMARK 500 LYS A 154 -64.92 -91.52 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 DA B 10 0.15 SIDE_CHAIN REMARK 500 DA C 17 0.06 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: GO.79751 RELATED DB: TARGETDB REMARK 900 RELATED ID: 1ZXF RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF CALC REMARK 900 RELATED ID: 2GKC RELATED DB: PDB REMARK 900 STRUCTURE OF CALC-CALICHEAMICIN DBREF 2GKD A 1 155 UNP Q8KNF0 Q8KNF0_MICEC 27 181 DBREF 2GKD B 1 11 PDB 2GKD 2GKD 1 11 DBREF 2GKD C 12 22 PDB 2GKD 2GKD 12 22 SEQRES 1 A 155 ASN TYR ASP PRO PHE VAL ARG HIS SER VAL THR VAL LYS SEQRES 2 A 155 ALA ASP ARG LYS THR ALA PHE LYS THR PHE LEU GLU GLY SEQRES 3 A 155 PHE PRO GLU TRP TRP PRO ASN ASN PHE ARG THR THR LYS SEQRES 4 A 155 VAL GLY ALA PRO LEU GLY VAL ASP LYS LYS GLY GLY ARG SEQRES 5 A 155 TRP TYR GLU ILE ASP GLU GLN GLY GLU GLU HIS THR PHE SEQRES 6 A 155 GLY LEU ILE ARG LYS VAL ASP GLU PRO ASP THR LEU VAL SEQRES 7 A 155 ILE GLY TRP ARG LEU ASN GLY PHE GLY ARG ILE ASP PRO SEQRES 8 A 155 ASP ASN SER SER GLU PHE THR VAL THR PHE VAL ALA ASP SEQRES 9 A 155 GLY GLN LYS LYS THR ARG VAL ASP VAL GLU HIS THR HIS SEQRES 10 A 155 PHE ASP ARG MET GLY THR LYS HIS ALA LYS ARG VAL ARG SEQRES 11 A 155 ASN GLY MET ASP LYS GLY TRP PRO THR ILE LEU GLN SER SEQRES 12 A 155 PHE GLN ASP LYS ILE ASP GLU GLU GLY ALA LYS LYS SEQRES 1 B 11 DG DC DA DT DA DT DG DA DT DA DG SEQRES 1 C 11 DC DT DA DT DC DA DT DA DT DG DC HELIX 1 1 ASP A 15 GLU A 25 1 11 HELIX 2 2 GLY A 26 TRP A 30 5 5 HELIX 3 3 PHE A 118 GLY A 122 5 5 HELIX 4 4 THR A 123 ARG A 130 1 8 HELIX 5 5 GLY A 136 GLY A 152 1 17 SHEET 1 A 6 VAL A 6 VAL A 12 0 SHEET 2 A 6 LYS A 108 HIS A 115 -1 O THR A 109 N VAL A 12 SHEET 3 A 6 PHE A 97 ASP A 104 -1 N ASP A 104 O LYS A 108 SHEET 4 A 6 THR A 76 GLY A 80 -1 N LEU A 77 O VAL A 99 SHEET 5 A 6 GLY A 60 ASP A 72 -1 N ARG A 69 O VAL A 78 SHEET 6 A 6 ARG A 52 ASP A 57 -1 N TRP A 53 O GLY A 66 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 95 SER OG : rot -70:sc= -0.0694 USER MOD Set 1.2: A 121 MET CE :methyl 166:sc= -0.74 (180deg=-1.13) USER MOD Set 2.1: A 93 ASN : amide:sc= -1.01! K(o=-4.9!,f=-5.8) USER MOD Set 2.2: A 125 HIS : no HD1:sc= -3.86! C(o=-4.9!,f=-8.3!) USER MOD Set 3.1: A 33 ASN :FLIP amide:sc= -0.287 F(o=-5.3!,f=-2.8) USER MOD Set 3.2: A 63 HIS : no HD1:sc= -2.58 K(o=-2.8,f=-15!) USER MOD Set 3.3: A 84 ASN :FLIP amide:sc= 0.105 F(o=-7.2!,f=-2.8) USER MOD Single : A 1 ASN : amide:sc= -2.5 K(o=-2.5,f=-5.8!) USER MOD Single : A 1 ASN N :NH3+ -157:sc= 0.457 (180deg=0.266) USER MOD Single : A 2 TYR OH : rot -130:sc= 1.21 USER MOD Single : A 8 HIS : no HE2:sc= -0.726 K(o=-0.73,f=-3.2) USER MOD Single : A 9 SER OG : rot 47:sc= 0.213 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.24 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 1.18 (180deg=0.955) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= -0.331 (180deg=-0.491) USER MOD Single : A 18 THR OG1 : rot 126:sc= 1.28 USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 1.25 (180deg=1.2) USER MOD Single : A 22 THR OG1 : rot 75:sc= 1.32 USER MOD Single : A 34 ASN : amide:sc= -5.84! C(o=-5.8!,f=-14!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 10:sc= 0.759 USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= 1.03 (180deg=-0.0512) USER MOD Single : A 48 LYS NZ :NH3+ 134:sc= -1.03! (180deg=-5.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.334 F(o=-1.8!,f=-0.33) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 70 LYS NZ :NH3+ 137:sc= 0.846 (180deg=-0.00823) USER MOD Single : A 76 THR OG1 : rot -92:sc= 0.968 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 87:sc= 0.143 USER MOD Single : A 106 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.8) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 137:sc= 0.898 (180deg=-0.0728) USER MOD Single : A 109 THR OG1 : rot -5:sc= 0.821 USER MOD Single : A 115 HIS : +bothHN:sc= 0.224 K(o=0.22,f=-11!) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.381 USER MOD Single : A 117 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 165:sc= -0.0231 (180deg=-0.24) USER MOD Single : A 127 LYS NZ :NH3+ -165:sc= -0.0456 (180deg=-0.306) USER MOD Single : A 131 ASN : amide:sc= -0.657 K(o=-0.66,f=-1.7) USER MOD Single : A 133 MET CE :methyl -171:sc= -0.357 (180deg=-0.488) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.0963 X(o=-0.096,f=-0.096) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= 0.0879 K(o=0.088,f=-3.5!) USER MOD Single : A 147 LYS NZ :NH3+ -177:sc= 1.69 (180deg=1.69) USER MOD Single : A 154 LYS NZ :NH3+ -159:sc= 1.73 (180deg=1.25) USER MOD Single : A 155 LYS NZ :NH3+ 138:sc= 0.152 (180deg=-0.148) USER MOD Single : B 1 DG O5' : rot 77:sc= 0.511 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.196 (180deg=-0.196) USER MOD Single : B 6 DT C7 :methyl 150:sc= -0.0422 (180deg=-0.0422) USER MOD Single : B 9 DT C7 :methyl -30:sc= -0.0606 (180deg=-0.0729) USER MOD Single : B 11 DG O3' : rot 180:sc= 0 USER MOD Single : C 12 DC O5' : rot 180:sc= 0 USER MOD Single : C 13 DT C7 :methyl -30:sc= -0.0522 (180deg=-0.408) USER MOD Single : C 15 DT C7 :methyl -30:sc= -0.114 (180deg=-0.518) USER MOD Single : C 18 DT C7 :methyl -30:sc= -0.0281 (180deg=-0.125) USER MOD Single : C 20 DT C7 :methyl 150:sc=-0.00657 (180deg=-0.00657) USER MOD Single : C 22 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 5.720 -12.460 7.654 1.00 1.60 N ATOM 2 CA ASN A 1 6.073 -12.582 6.217 1.00 1.07 C ATOM 3 C ASN A 1 7.353 -11.806 5.928 1.00 1.17 C ATOM 4 O ASN A 1 8.046 -11.409 6.858 1.00 1.79 O ATOM 5 CB ASN A 1 4.934 -12.060 5.325 1.00 0.99 C ATOM 6 CG ASN A 1 4.695 -10.568 5.467 1.00 1.10 C ATOM 7 OD1 ASN A 1 4.813 -10.012 6.554 1.00 1.63 O ATOM 8 ND2 ASN A 1 4.377 -9.907 4.357 1.00 1.08 N ATOM 0 H1 ASN A 1 5.116 -13.260 7.932 1.00 1.60 H new ATOM 0 H2 ASN A 1 6.588 -12.466 8.226 1.00 1.60 H new ATOM 0 H3 ASN A 1 5.208 -11.569 7.811 1.00 1.60 H new ATOM 0 HA ASN A 1 6.230 -13.637 5.992 1.00 1.07 H new ATOM 0 HB2 ASN A 1 5.164 -12.286 4.284 1.00 0.99 H new ATOM 0 HB3 ASN A 1 4.016 -12.593 5.571 1.00 0.99 H new ATOM 0 HD21 ASN A 1 4.221 -8.899 4.390 1.00 1.08 H new ATOM 0 HD22 ASN A 1 4.289 -10.408 3.473 1.00 1.08 H new ATOM 17 N TYR A 2 7.687 -11.680 4.635 1.00 1.10 N ATOM 18 CA TYR A 2 8.781 -10.827 4.125 1.00 1.39 C ATOM 19 C TYR A 2 10.139 -11.302 4.617 1.00 1.58 C ATOM 20 O TYR A 2 11.139 -10.602 4.503 1.00 2.19 O ATOM 21 CB TYR A 2 8.574 -9.311 4.389 1.00 1.73 C ATOM 22 CG TYR A 2 8.543 -8.855 5.839 1.00 2.27 C ATOM 23 CD1 TYR A 2 9.698 -8.875 6.613 1.00 2.72 C ATOM 24 CD2 TYR A 2 7.365 -8.421 6.440 1.00 3.08 C ATOM 25 CE1 TYR A 2 9.684 -8.472 7.934 1.00 3.62 C ATOM 26 CE2 TYR A 2 7.344 -8.019 7.763 1.00 4.05 C ATOM 27 CZ TYR A 2 8.471 -7.997 8.487 1.00 4.21 C ATOM 28 OH TYR A 2 8.491 -7.644 9.821 1.00 5.30 O ATOM 0 H TYR A 2 7.195 -12.179 3.894 1.00 1.10 H new ATOM 0 HA TYR A 2 8.756 -10.939 3.041 1.00 1.39 H new ATOM 0 HB2 TYR A 2 9.371 -8.768 3.881 1.00 1.73 H new ATOM 0 HB3 TYR A 2 7.636 -9.012 3.921 1.00 1.73 H new ATOM 0 HD1 TYR A 2 10.625 -9.212 6.172 1.00 2.72 H new ATOM 0 HD2 TYR A 2 6.452 -8.398 5.863 1.00 3.08 H new ATOM 0 HE1 TYR A 2 10.581 -8.518 8.533 1.00 3.62 H new ATOM 0 HE2 TYR A 2 6.411 -7.720 8.217 1.00 4.05 H new ATOM 0 HH TYR A 2 7.743 -8.074 10.285 1.00 5.30 H new ATOM 38 N ASP A 3 10.154 -12.505 5.147 1.00 1.58 N ATOM 39 CA ASP A 3 11.386 -13.202 5.462 1.00 1.84 C ATOM 40 C ASP A 3 11.445 -14.500 4.650 1.00 1.62 C ATOM 41 O ASP A 3 12.469 -14.807 4.045 1.00 1.73 O ATOM 42 CB ASP A 3 11.498 -13.468 6.969 1.00 2.20 C ATOM 43 CG ASP A 3 12.768 -14.209 7.344 1.00 2.86 C ATOM 44 OD1 ASP A 3 13.865 -13.658 7.110 1.00 3.31 O ATOM 45 OD2 ASP A 3 12.676 -15.350 7.845 1.00 3.26 O ATOM 0 H ASP A 3 9.310 -13.031 5.373 1.00 1.58 H new ATOM 0 HA ASP A 3 12.238 -12.579 5.191 1.00 1.84 H new ATOM 0 HB2 ASP A 3 11.466 -12.519 7.504 1.00 2.20 H new ATOM 0 HB3 ASP A 3 10.635 -14.048 7.296 1.00 2.20 H new ATOM 50 N PRO A 4 10.348 -15.298 4.623 1.00 1.51 N ATOM 51 CA PRO A 4 10.220 -16.404 3.687 1.00 1.44 C ATOM 52 C PRO A 4 9.419 -16.043 2.423 1.00 1.18 C ATOM 53 O PRO A 4 9.822 -16.364 1.308 1.00 1.20 O ATOM 54 CB PRO A 4 9.486 -17.468 4.513 1.00 1.74 C ATOM 55 CG PRO A 4 8.802 -16.732 5.634 1.00 1.85 C ATOM 56 CD PRO A 4 9.210 -15.279 5.550 1.00 1.69 C ATOM 0 HA PRO A 4 11.189 -16.724 3.303 1.00 1.44 H new ATOM 0 HB2 PRO A 4 8.761 -18.005 3.901 1.00 1.74 H new ATOM 0 HB3 PRO A 4 10.185 -18.208 4.903 1.00 1.74 H new ATOM 0 HG2 PRO A 4 7.720 -16.830 5.551 1.00 1.85 H new ATOM 0 HG3 PRO A 4 9.087 -17.154 6.598 1.00 1.85 H new ATOM 0 HD2 PRO A 4 8.398 -14.655 5.177 1.00 1.69 H new ATOM 0 HD3 PRO A 4 9.493 -14.884 6.526 1.00 1.69 H new ATOM 64 N PHE A 5 8.277 -15.401 2.616 1.00 1.05 N ATOM 65 CA PHE A 5 7.409 -14.986 1.517 1.00 0.90 C ATOM 66 C PHE A 5 6.608 -13.776 1.963 1.00 0.77 C ATOM 67 O PHE A 5 6.486 -13.538 3.165 1.00 0.87 O ATOM 68 CB PHE A 5 6.463 -16.128 1.115 1.00 1.12 C ATOM 69 CG PHE A 5 5.477 -16.510 2.189 1.00 1.31 C ATOM 70 CD1 PHE A 5 5.850 -17.358 3.223 1.00 1.51 C ATOM 71 CD2 PHE A 5 4.177 -16.025 2.164 1.00 2.04 C ATOM 72 CE1 PHE A 5 4.948 -17.713 4.205 1.00 2.22 C ATOM 73 CE2 PHE A 5 3.271 -16.379 3.147 1.00 2.98 C ATOM 74 CZ PHE A 5 3.655 -17.197 4.176 1.00 3.02 C ATOM 0 H PHE A 5 7.923 -15.151 3.539 1.00 1.05 H new ATOM 0 HA PHE A 5 8.017 -14.731 0.649 1.00 0.90 H new ATOM 0 HB2 PHE A 5 5.915 -15.835 0.220 1.00 1.12 H new ATOM 0 HB3 PHE A 5 7.057 -17.003 0.852 1.00 1.12 H new ATOM 0 HD1 PHE A 5 6.858 -17.744 3.259 1.00 1.51 H new ATOM 0 HD2 PHE A 5 3.869 -15.363 1.368 1.00 2.04 H new ATOM 0 HE1 PHE A 5 5.244 -18.389 4.994 1.00 2.22 H new ATOM 0 HE2 PHE A 5 2.257 -16.009 3.103 1.00 2.98 H new ATOM 0 HZ PHE A 5 2.957 -17.441 4.963 1.00 3.02 H new ATOM 84 N VAL A 6 6.058 -13.014 1.034 1.00 0.68 N ATOM 85 CA VAL A 6 5.233 -11.881 1.411 1.00 0.68 C ATOM 86 C VAL A 6 3.754 -12.200 1.224 1.00 0.53 C ATOM 87 O VAL A 6 3.321 -12.615 0.143 1.00 0.55 O ATOM 88 CB VAL A 6 5.599 -10.591 0.634 1.00 0.87 C ATOM 89 CG1 VAL A 6 5.364 -10.752 -0.852 1.00 1.54 C ATOM 90 CG2 VAL A 6 4.813 -9.400 1.156 1.00 1.36 C ATOM 0 H VAL A 6 6.165 -13.155 0.030 1.00 0.68 H new ATOM 0 HA VAL A 6 5.431 -11.693 2.466 1.00 0.68 H new ATOM 0 HB VAL A 6 6.662 -10.410 0.794 1.00 0.87 H new ATOM 0 HG11 VAL A 6 5.631 -9.828 -1.365 1.00 1.54 H new ATOM 0 HG12 VAL A 6 5.979 -11.568 -1.231 1.00 1.54 H new ATOM 0 HG13 VAL A 6 4.312 -10.976 -1.032 1.00 1.54 H new ATOM 0 HG21 VAL A 6 5.089 -8.508 0.594 1.00 1.36 H new ATOM 0 HG22 VAL A 6 3.746 -9.588 1.038 1.00 1.36 H new ATOM 0 HG23 VAL A 6 5.040 -9.249 2.211 1.00 1.36 H new ATOM 100 N ARG A 7 3.000 -12.048 2.304 1.00 0.54 N ATOM 101 CA ARG A 7 1.556 -12.158 2.248 1.00 0.45 C ATOM 102 C ARG A 7 0.898 -10.950 2.899 1.00 0.58 C ATOM 103 O ARG A 7 1.374 -10.423 3.902 1.00 0.92 O ATOM 104 CB ARG A 7 1.058 -13.455 2.894 1.00 0.54 C ATOM 105 CG ARG A 7 -0.440 -13.447 3.186 1.00 0.65 C ATOM 106 CD ARG A 7 -1.017 -14.846 3.279 1.00 1.12 C ATOM 107 NE ARG A 7 -1.416 -15.355 1.970 1.00 1.74 N ATOM 108 CZ ARG A 7 -2.628 -15.836 1.696 1.00 2.37 C ATOM 109 NH1 ARG A 7 -3.550 -15.915 2.654 1.00 2.55 N ATOM 110 NH2 ARG A 7 -2.917 -16.237 0.466 1.00 3.34 N ATOM 0 H ARG A 7 3.371 -11.847 3.233 1.00 0.54 H new ATOM 0 HA ARG A 7 1.273 -12.185 1.196 1.00 0.45 H new ATOM 0 HB2 ARG A 7 1.288 -14.293 2.236 1.00 0.54 H new ATOM 0 HB3 ARG A 7 1.602 -13.622 3.824 1.00 0.54 H new ATOM 0 HG2 ARG A 7 -0.622 -12.919 4.122 1.00 0.65 H new ATOM 0 HG3 ARG A 7 -0.958 -12.895 2.402 1.00 0.65 H new ATOM 0 HD2 ARG A 7 -0.278 -15.515 3.720 1.00 1.12 H new ATOM 0 HD3 ARG A 7 -1.880 -14.840 3.945 1.00 1.12 H new ATOM 0 HE ARG A 7 -0.725 -15.342 1.220 1.00 1.74 H new ATOM 0 HH11 ARG A 7 -3.329 -15.607 3.601 1.00 2.55 H new ATOM 0 HH12 ARG A 7 -4.477 -16.284 2.441 1.00 2.55 H new ATOM 0 HH21 ARG A 7 -2.212 -16.177 -0.269 1.00 3.34 H new ATOM 0 HH22 ARG A 7 -3.844 -16.606 0.254 1.00 3.34 H new ATOM 124 N HIS A 8 -0.184 -10.514 2.286 1.00 0.47 N ATOM 125 CA HIS A 8 -0.995 -9.408 2.792 1.00 0.63 C ATOM 126 C HIS A 8 -2.302 -9.967 3.282 1.00 0.43 C ATOM 127 O HIS A 8 -2.859 -10.854 2.646 1.00 0.63 O ATOM 128 CB HIS A 8 -1.283 -8.443 1.651 1.00 1.17 C ATOM 129 CG HIS A 8 -1.951 -7.142 1.980 1.00 0.58 C ATOM 130 ND1 HIS A 8 -2.324 -6.255 0.989 1.00 0.76 N ATOM 131 CD2 HIS A 8 -2.314 -6.570 3.149 1.00 1.39 C ATOM 132 CE1 HIS A 8 -2.882 -5.196 1.530 1.00 0.85 C ATOM 133 NE2 HIS A 8 -2.892 -5.359 2.841 1.00 1.63 N ATOM 0 H HIS A 8 -0.534 -10.915 1.416 1.00 0.47 H new ATOM 0 HA HIS A 8 -0.469 -8.892 3.596 1.00 0.63 H new ATOM 0 HB2 HIS A 8 -0.337 -8.217 1.158 1.00 1.17 H new ATOM 0 HB3 HIS A 8 -1.906 -8.963 0.923 1.00 1.17 H new ATOM 0 HD1 HIS A 8 -2.187 -6.400 -0.011 1.00 0.76 H new ATOM 0 HD2 HIS A 8 -2.177 -6.984 4.137 1.00 1.39 H new ATOM 0 HE1 HIS A 8 -3.266 -4.340 0.995 1.00 0.85 H new ATOM 142 N SER A 9 -2.791 -9.465 4.390 1.00 0.46 N ATOM 143 CA SER A 9 -4.074 -9.895 4.882 1.00 0.49 C ATOM 144 C SER A 9 -4.873 -8.711 5.409 1.00 0.48 C ATOM 145 O SER A 9 -4.514 -8.089 6.412 1.00 0.59 O ATOM 146 CB SER A 9 -3.866 -10.968 5.941 1.00 0.71 C ATOM 147 OG SER A 9 -2.993 -10.521 6.963 1.00 1.77 O ATOM 0 H SER A 9 -2.323 -8.763 4.963 1.00 0.46 H new ATOM 0 HA SER A 9 -4.658 -10.326 4.069 1.00 0.49 H new ATOM 0 HB2 SER A 9 -4.827 -11.244 6.376 1.00 0.71 H new ATOM 0 HB3 SER A 9 -3.457 -11.865 5.477 1.00 0.71 H new ATOM 0 HG SER A 9 -3.261 -9.624 7.253 1.00 1.77 H new ATOM 153 N VAL A 10 -5.934 -8.383 4.693 1.00 0.41 N ATOM 154 CA VAL A 10 -6.797 -7.268 5.055 1.00 0.40 C ATOM 155 C VAL A 10 -8.242 -7.595 4.710 1.00 0.39 C ATOM 156 O VAL A 10 -8.523 -8.109 3.625 1.00 0.39 O ATOM 157 CB VAL A 10 -6.356 -5.955 4.349 1.00 0.43 C ATOM 158 CG1 VAL A 10 -7.518 -4.993 4.169 1.00 1.04 C ATOM 159 CG2 VAL A 10 -5.238 -5.281 5.128 1.00 1.19 C ATOM 0 H VAL A 10 -6.222 -8.878 3.849 1.00 0.41 H new ATOM 0 HA VAL A 10 -6.712 -7.110 6.130 1.00 0.40 H new ATOM 0 HB VAL A 10 -5.990 -6.226 3.359 1.00 0.43 H new ATOM 0 HG11 VAL A 10 -7.168 -4.088 3.672 1.00 1.04 H new ATOM 0 HG12 VAL A 10 -8.290 -5.465 3.562 1.00 1.04 H new ATOM 0 HG13 VAL A 10 -7.931 -4.735 5.144 1.00 1.04 H new ATOM 0 HG21 VAL A 10 -4.942 -4.364 4.619 1.00 1.19 H new ATOM 0 HG22 VAL A 10 -5.587 -5.042 6.133 1.00 1.19 H new ATOM 0 HG23 VAL A 10 -4.382 -5.953 5.191 1.00 1.19 H new ATOM 169 N THR A 11 -9.147 -7.320 5.636 1.00 0.44 N ATOM 170 CA THR A 11 -10.555 -7.578 5.414 1.00 0.42 C ATOM 171 C THR A 11 -11.326 -6.264 5.317 1.00 0.40 C ATOM 172 O THR A 11 -11.393 -5.493 6.272 1.00 0.47 O ATOM 173 CB THR A 11 -11.134 -8.447 6.545 1.00 0.50 C ATOM 174 OG1 THR A 11 -10.281 -9.584 6.763 1.00 0.60 O ATOM 175 CG2 THR A 11 -12.537 -8.924 6.201 1.00 0.50 C ATOM 0 H THR A 11 -8.928 -6.918 6.548 1.00 0.44 H new ATOM 0 HA THR A 11 -10.659 -8.119 4.473 1.00 0.42 H new ATOM 0 HB THR A 11 -11.187 -7.843 7.451 1.00 0.50 H new ATOM 0 HG1 THR A 11 -10.649 -10.136 7.484 1.00 0.60 H new ATOM 0 HG21 THR A 11 -12.923 -9.536 7.016 1.00 0.50 H new ATOM 0 HG22 THR A 11 -13.188 -8.062 6.054 1.00 0.50 H new ATOM 0 HG23 THR A 11 -12.506 -9.516 5.286 1.00 0.50 H new ATOM 183 N VAL A 12 -11.901 -6.017 4.152 1.00 0.35 N ATOM 184 CA VAL A 12 -12.624 -4.784 3.891 1.00 0.37 C ATOM 185 C VAL A 12 -14.134 -4.993 4.006 1.00 0.36 C ATOM 186 O VAL A 12 -14.674 -5.972 3.494 1.00 0.38 O ATOM 187 CB VAL A 12 -12.233 -4.227 2.507 1.00 0.40 C ATOM 188 CG1 VAL A 12 -13.306 -3.318 1.939 1.00 0.93 C ATOM 189 CG2 VAL A 12 -10.910 -3.485 2.618 1.00 0.80 C ATOM 0 H VAL A 12 -11.880 -6.663 3.363 1.00 0.35 H new ATOM 0 HA VAL A 12 -12.346 -4.050 4.647 1.00 0.37 H new ATOM 0 HB VAL A 12 -12.128 -5.066 1.819 1.00 0.40 H new ATOM 0 HG11 VAL A 12 -12.990 -2.948 0.964 1.00 0.93 H new ATOM 0 HG12 VAL A 12 -14.236 -3.876 1.832 1.00 0.93 H new ATOM 0 HG13 VAL A 12 -13.464 -2.476 2.613 1.00 0.93 H new ATOM 0 HG21 VAL A 12 -10.631 -3.090 1.641 1.00 0.80 H new ATOM 0 HG22 VAL A 12 -11.012 -2.663 3.326 1.00 0.80 H new ATOM 0 HG23 VAL A 12 -10.137 -4.170 2.967 1.00 0.80 H new ATOM 199 N LYS A 13 -14.804 -4.053 4.668 1.00 0.40 N ATOM 200 CA LYS A 13 -16.206 -4.218 5.058 1.00 0.43 C ATOM 201 C LYS A 13 -17.176 -3.600 4.053 1.00 0.40 C ATOM 202 O LYS A 13 -18.377 -3.552 4.312 1.00 0.47 O ATOM 203 CB LYS A 13 -16.462 -3.545 6.412 1.00 0.64 C ATOM 204 CG LYS A 13 -15.309 -3.636 7.396 1.00 0.62 C ATOM 205 CD LYS A 13 -14.999 -5.068 7.794 1.00 1.52 C ATOM 206 CE LYS A 13 -13.923 -5.103 8.862 1.00 2.15 C ATOM 207 NZ LYS A 13 -14.423 -4.590 10.167 1.00 2.77 N ATOM 0 H LYS A 13 -14.396 -3.161 4.949 1.00 0.40 H new ATOM 0 HA LYS A 13 -16.381 -5.293 5.105 1.00 0.43 H new ATOM 0 HB2 LYS A 13 -16.694 -2.494 6.241 1.00 0.64 H new ATOM 0 HB3 LYS A 13 -17.345 -3.996 6.865 1.00 0.64 H new ATOM 0 HG2 LYS A 13 -14.421 -3.184 6.954 1.00 0.62 H new ATOM 0 HG3 LYS A 13 -15.550 -3.058 8.288 1.00 0.62 H new ATOM 0 HD2 LYS A 13 -15.903 -5.552 8.164 1.00 1.52 H new ATOM 0 HD3 LYS A 13 -14.671 -5.631 6.920 1.00 1.52 H new ATOM 0 HE2 LYS A 13 -13.567 -6.126 8.986 1.00 2.15 H new ATOM 0 HE3 LYS A 13 -13.071 -4.505 8.539 1.00 2.15 H new ATOM 0 HZ1 LYS A 13 -13.693 -4.724 10.895 1.00 2.77 H new ATOM 0 HZ2 LYS A 13 -14.644 -3.578 10.080 1.00 2.77 H new ATOM 0 HZ3 LYS A 13 -15.282 -5.110 10.438 1.00 2.77 H new ATOM 221 N ALA A 14 -16.678 -3.124 2.922 1.00 0.36 N ATOM 222 CA ALA A 14 -17.521 -2.341 2.022 1.00 0.38 C ATOM 223 C ALA A 14 -17.772 -3.015 0.676 1.00 0.40 C ATOM 224 O ALA A 14 -18.913 -3.035 0.219 1.00 0.64 O ATOM 225 CB ALA A 14 -16.919 -0.958 1.818 1.00 0.47 C ATOM 0 H ALA A 14 -15.717 -3.260 2.607 1.00 0.36 H new ATOM 0 HA ALA A 14 -18.495 -2.258 2.504 1.00 0.38 H new ATOM 0 HB1 ALA A 14 -17.554 -0.381 1.146 1.00 0.47 H new ATOM 0 HB2 ALA A 14 -16.848 -0.447 2.778 1.00 0.47 H new ATOM 0 HB3 ALA A 14 -15.924 -1.055 1.384 1.00 0.47 H new ATOM 231 N ASP A 15 -16.720 -3.624 0.101 1.00 0.34 N ATOM 232 CA ASP A 15 -16.679 -4.053 -1.315 1.00 0.37 C ATOM 233 C ASP A 15 -15.280 -3.803 -1.894 1.00 0.32 C ATOM 234 O ASP A 15 -14.474 -3.078 -1.305 1.00 0.34 O ATOM 235 CB ASP A 15 -17.702 -3.323 -2.204 1.00 0.50 C ATOM 236 CG ASP A 15 -17.354 -1.869 -2.451 1.00 1.01 C ATOM 237 OD1 ASP A 15 -17.729 -1.010 -1.634 1.00 1.94 O ATOM 238 OD2 ASP A 15 -16.714 -1.582 -3.476 1.00 1.28 O ATOM 0 H ASP A 15 -15.862 -3.836 0.610 1.00 0.34 H new ATOM 0 HA ASP A 15 -16.930 -5.114 -1.317 1.00 0.37 H new ATOM 0 HB2 ASP A 15 -17.775 -3.839 -3.161 1.00 0.50 H new ATOM 0 HB3 ASP A 15 -18.685 -3.379 -1.736 1.00 0.50 H new ATOM 243 N ARG A 16 -15.009 -4.406 -3.050 1.00 0.33 N ATOM 244 CA ARG A 16 -13.687 -4.340 -3.677 1.00 0.35 C ATOM 245 C ARG A 16 -13.392 -2.967 -4.275 1.00 0.36 C ATOM 246 O ARG A 16 -12.233 -2.553 -4.334 1.00 0.39 O ATOM 247 CB ARG A 16 -13.554 -5.417 -4.755 1.00 0.44 C ATOM 248 CG ARG A 16 -12.124 -5.859 -4.997 1.00 0.71 C ATOM 249 CD ARG A 16 -12.063 -7.253 -5.598 1.00 0.63 C ATOM 250 NE ARG A 16 -12.785 -7.357 -6.864 1.00 1.38 N ATOM 251 CZ ARG A 16 -12.537 -8.295 -7.778 1.00 1.95 C ATOM 252 NH1 ARG A 16 -11.605 -9.216 -7.551 1.00 2.05 N ATOM 253 NH2 ARG A 16 -13.220 -8.309 -8.918 1.00 2.66 N ATOM 0 H ARG A 16 -15.692 -4.950 -3.576 1.00 0.33 H new ATOM 0 HA ARG A 16 -12.954 -4.517 -2.890 1.00 0.35 H new ATOM 0 HB2 ARG A 16 -14.150 -6.283 -4.467 1.00 0.44 H new ATOM 0 HB3 ARG A 16 -13.972 -5.039 -5.688 1.00 0.44 H new ATOM 0 HG2 ARG A 16 -11.632 -5.152 -5.666 1.00 0.71 H new ATOM 0 HG3 ARG A 16 -11.574 -5.843 -4.056 1.00 0.71 H new ATOM 0 HD2 ARG A 16 -11.021 -7.530 -5.756 1.00 0.63 H new ATOM 0 HD3 ARG A 16 -12.479 -7.968 -4.888 1.00 0.63 H new ATOM 0 HE ARG A 16 -13.518 -6.675 -7.059 1.00 1.38 H new ATOM 0 HH11 ARG A 16 -11.079 -9.205 -6.677 1.00 2.05 H new ATOM 0 HH12 ARG A 16 -11.416 -9.933 -8.251 1.00 2.05 H new ATOM 0 HH21 ARG A 16 -13.934 -7.602 -9.094 1.00 2.66 H new ATOM 0 HH22 ARG A 16 -13.030 -9.027 -9.617 1.00 2.66 H new ATOM 267 N LYS A 17 -14.423 -2.258 -4.717 1.00 0.42 N ATOM 268 CA LYS A 17 -14.228 -0.965 -5.351 1.00 0.52 C ATOM 269 C LYS A 17 -13.817 0.065 -4.309 1.00 0.44 C ATOM 270 O LYS A 17 -12.909 0.857 -4.540 1.00 0.44 O ATOM 271 CB LYS A 17 -15.496 -0.538 -6.111 1.00 0.71 C ATOM 272 CG LYS A 17 -15.498 0.914 -6.577 1.00 1.40 C ATOM 273 CD LYS A 17 -16.119 1.831 -5.533 1.00 1.77 C ATOM 274 CE LYS A 17 -17.582 2.138 -5.830 1.00 2.46 C ATOM 275 NZ LYS A 17 -18.346 0.955 -6.314 1.00 3.18 N ATOM 0 H LYS A 17 -15.396 -2.556 -4.648 1.00 0.42 H new ATOM 0 HA LYS A 17 -13.424 -1.040 -6.083 1.00 0.52 H new ATOM 0 HB2 LYS A 17 -15.618 -1.185 -6.980 1.00 0.71 H new ATOM 0 HB3 LYS A 17 -16.361 -0.701 -5.468 1.00 0.71 H new ATOM 0 HG2 LYS A 17 -14.476 1.233 -6.782 1.00 1.40 H new ATOM 0 HG3 LYS A 17 -16.052 0.997 -7.512 1.00 1.40 H new ATOM 0 HD2 LYS A 17 -16.040 1.366 -4.551 1.00 1.77 H new ATOM 0 HD3 LYS A 17 -15.556 2.763 -5.490 1.00 1.77 H new ATOM 0 HE2 LYS A 17 -18.056 2.523 -4.927 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -17.635 2.928 -6.579 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -19.359 1.188 -6.352 1.00 3.18 H new ATOM 0 HZ2 LYS A 17 -18.015 0.693 -7.264 1.00 3.18 H new ATOM 0 HZ3 LYS A 17 -18.198 0.157 -5.664 1.00 3.18 H new ATOM 289 N THR A 18 -14.477 0.037 -3.157 1.00 0.44 N ATOM 290 CA THR A 18 -14.103 0.895 -2.048 1.00 0.44 C ATOM 291 C THR A 18 -12.699 0.549 -1.559 1.00 0.37 C ATOM 292 O THR A 18 -11.915 1.437 -1.227 1.00 0.38 O ATOM 293 CB THR A 18 -15.108 0.771 -0.892 1.00 0.52 C ATOM 294 OG1 THR A 18 -16.410 1.159 -1.343 1.00 1.27 O ATOM 295 CG2 THR A 18 -14.700 1.636 0.287 1.00 0.82 C ATOM 0 H THR A 18 -15.274 -0.572 -2.970 1.00 0.44 H new ATOM 0 HA THR A 18 -14.112 1.926 -2.402 1.00 0.44 H new ATOM 0 HB THR A 18 -15.123 -0.268 -0.564 1.00 0.52 H new ATOM 0 HG1 THR A 18 -17.048 0.439 -1.158 1.00 1.27 H new ATOM 0 HG21 THR A 18 -15.431 1.527 1.089 1.00 0.82 H new ATOM 0 HG22 THR A 18 -13.719 1.324 0.645 1.00 0.82 H new ATOM 0 HG23 THR A 18 -14.657 2.680 -0.025 1.00 0.82 H new ATOM 303 N ALA A 19 -12.382 -0.743 -1.537 1.00 0.34 N ATOM 304 CA ALA A 19 -11.046 -1.192 -1.163 1.00 0.32 C ATOM 305 C ALA A 19 -10.003 -0.620 -2.118 1.00 0.29 C ATOM 306 O ALA A 19 -9.036 0.004 -1.687 1.00 0.31 O ATOM 307 CB ALA A 19 -10.982 -2.714 -1.144 1.00 0.33 C ATOM 0 H ALA A 19 -13.030 -1.494 -1.773 1.00 0.34 H new ATOM 0 HA ALA A 19 -10.826 -0.827 -0.160 1.00 0.32 H new ATOM 0 HB1 ALA A 19 -9.978 -3.032 -0.863 1.00 0.33 H new ATOM 0 HB2 ALA A 19 -11.701 -3.099 -0.421 1.00 0.33 H new ATOM 0 HB3 ALA A 19 -11.221 -3.101 -2.135 1.00 0.33 H new ATOM 313 N PHE A 20 -10.223 -0.815 -3.416 1.00 0.29 N ATOM 314 CA PHE A 20 -9.326 -0.289 -4.443 1.00 0.28 C ATOM 315 C PHE A 20 -9.249 1.239 -4.380 1.00 0.28 C ATOM 316 O PHE A 20 -8.163 1.819 -4.441 1.00 0.28 O ATOM 317 CB PHE A 20 -9.800 -0.736 -5.830 1.00 0.31 C ATOM 318 CG PHE A 20 -9.042 -0.119 -6.972 1.00 0.32 C ATOM 319 CD1 PHE A 20 -7.809 -0.624 -7.354 1.00 0.31 C ATOM 320 CD2 PHE A 20 -9.559 0.967 -7.659 1.00 0.39 C ATOM 321 CE1 PHE A 20 -7.107 -0.059 -8.401 1.00 0.33 C ATOM 322 CE2 PHE A 20 -8.860 1.537 -8.708 1.00 0.41 C ATOM 323 CZ PHE A 20 -7.647 1.020 -9.090 1.00 0.37 C ATOM 0 H PHE A 20 -11.019 -1.336 -3.783 1.00 0.29 H new ATOM 0 HA PHE A 20 -8.327 -0.685 -4.258 1.00 0.28 H new ATOM 0 HB2 PHE A 20 -9.716 -1.821 -5.898 1.00 0.31 H new ATOM 0 HB3 PHE A 20 -10.857 -0.491 -5.936 1.00 0.31 H new ATOM 0 HD1 PHE A 20 -7.392 -1.469 -6.827 1.00 0.31 H new ATOM 0 HD2 PHE A 20 -10.518 1.373 -7.373 1.00 0.39 H new ATOM 0 HE1 PHE A 20 -6.142 -0.454 -8.683 1.00 0.33 H new ATOM 0 HE2 PHE A 20 -9.270 2.391 -9.228 1.00 0.41 H new ATOM 0 HZ PHE A 20 -7.114 1.451 -9.924 1.00 0.37 H new ATOM 333 N LYS A 21 -10.409 1.878 -4.256 1.00 0.32 N ATOM 334 CA LYS A 21 -10.487 3.332 -4.160 1.00 0.38 C ATOM 335 C LYS A 21 -9.628 3.832 -3.011 1.00 0.39 C ATOM 336 O LYS A 21 -8.766 4.687 -3.195 1.00 0.41 O ATOM 337 CB LYS A 21 -11.939 3.773 -3.950 1.00 0.48 C ATOM 338 CG LYS A 21 -12.105 5.260 -3.663 1.00 0.63 C ATOM 339 CD LYS A 21 -11.809 6.115 -4.885 1.00 1.27 C ATOM 340 CE LYS A 21 -12.806 5.854 -6.004 1.00 2.00 C ATOM 341 NZ LYS A 21 -12.587 6.753 -7.166 1.00 2.72 N ATOM 0 H LYS A 21 -11.313 1.408 -4.220 1.00 0.32 H new ATOM 0 HA LYS A 21 -10.117 3.759 -5.092 1.00 0.38 H new ATOM 0 HB2 LYS A 21 -12.516 3.519 -4.839 1.00 0.48 H new ATOM 0 HB3 LYS A 21 -12.363 3.205 -3.122 1.00 0.48 H new ATOM 0 HG2 LYS A 21 -13.123 5.452 -3.325 1.00 0.63 H new ATOM 0 HG3 LYS A 21 -11.439 5.548 -2.850 1.00 0.63 H new ATOM 0 HD2 LYS A 21 -11.839 7.169 -4.609 1.00 1.27 H new ATOM 0 HD3 LYS A 21 -10.800 5.907 -5.240 1.00 1.27 H new ATOM 0 HE2 LYS A 21 -12.724 4.816 -6.328 1.00 2.00 H new ATOM 0 HE3 LYS A 21 -13.819 5.991 -5.626 1.00 2.00 H new ATOM 0 HZ1 LYS A 21 -12.927 6.289 -8.033 1.00 2.72 H new ATOM 0 HZ2 LYS A 21 -13.108 7.641 -7.021 1.00 2.72 H new ATOM 0 HZ3 LYS A 21 -11.572 6.959 -7.259 1.00 2.72 H new ATOM 355 N THR A 22 -9.849 3.267 -1.839 1.00 0.41 N ATOM 356 CA THR A 22 -9.116 3.657 -0.650 1.00 0.47 C ATOM 357 C THR A 22 -7.622 3.386 -0.819 1.00 0.46 C ATOM 358 O THR A 22 -6.799 4.257 -0.567 1.00 0.57 O ATOM 359 CB THR A 22 -9.654 2.900 0.581 1.00 0.51 C ATOM 360 OG1 THR A 22 -11.067 3.115 0.694 1.00 0.58 O ATOM 361 CG2 THR A 22 -8.970 3.347 1.866 1.00 0.57 C ATOM 0 H THR A 22 -10.537 2.530 -1.685 1.00 0.41 H new ATOM 0 HA THR A 22 -9.257 4.727 -0.499 1.00 0.47 H new ATOM 0 HB THR A 22 -9.441 1.840 0.440 1.00 0.51 H new ATOM 0 HG1 THR A 22 -11.534 2.583 0.017 1.00 0.58 H new ATOM 0 HG21 THR A 22 -9.378 2.789 2.709 1.00 0.57 H new ATOM 0 HG22 THR A 22 -7.899 3.160 1.792 1.00 0.57 H new ATOM 0 HG23 THR A 22 -9.143 4.412 2.018 1.00 0.57 H new ATOM 369 N PHE A 23 -7.297 2.195 -1.302 1.00 0.37 N ATOM 370 CA PHE A 23 -5.915 1.733 -1.379 1.00 0.39 C ATOM 371 C PHE A 23 -5.068 2.557 -2.351 1.00 0.41 C ATOM 372 O PHE A 23 -3.915 2.872 -2.060 1.00 0.57 O ATOM 373 CB PHE A 23 -5.899 0.256 -1.792 1.00 0.37 C ATOM 374 CG PHE A 23 -4.533 -0.370 -1.813 1.00 0.44 C ATOM 375 CD1 PHE A 23 -3.875 -0.669 -0.631 1.00 0.60 C ATOM 376 CD2 PHE A 23 -3.901 -0.646 -3.016 1.00 0.41 C ATOM 377 CE1 PHE A 23 -2.616 -1.235 -0.646 1.00 0.69 C ATOM 378 CE2 PHE A 23 -2.640 -1.212 -3.038 1.00 0.50 C ATOM 379 CZ PHE A 23 -2.018 -1.551 -1.859 1.00 0.63 C ATOM 0 H PHE A 23 -7.980 1.523 -1.651 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.471 1.858 -0.391 1.00 0.39 H new ATOM 0 HB2 PHE A 23 -6.532 -0.307 -1.106 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.342 0.164 -2.784 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.353 -0.457 0.314 1.00 0.60 H new ATOM 0 HD2 PHE A 23 -4.399 -0.416 -3.946 1.00 0.41 H new ATOM 0 HE1 PHE A 23 -2.098 -1.431 0.281 1.00 0.69 H new ATOM 0 HE2 PHE A 23 -2.143 -1.388 -3.981 1.00 0.50 H new ATOM 0 HZ PHE A 23 -1.067 -2.062 -1.876 1.00 0.63 H new ATOM 389 N LEU A 24 -5.629 2.912 -3.501 1.00 0.33 N ATOM 390 CA LEU A 24 -4.813 3.487 -4.565 1.00 0.36 C ATOM 391 C LEU A 24 -5.175 4.937 -4.884 1.00 0.39 C ATOM 392 O LEU A 24 -4.420 5.636 -5.561 1.00 0.50 O ATOM 393 CB LEU A 24 -4.953 2.637 -5.823 1.00 0.40 C ATOM 394 CG LEU A 24 -3.708 2.588 -6.701 1.00 0.45 C ATOM 395 CD1 LEU A 24 -2.591 1.842 -5.986 1.00 0.47 C ATOM 396 CD2 LEU A 24 -4.022 1.938 -8.036 1.00 0.48 C ATOM 0 H LEU A 24 -6.621 2.816 -3.719 1.00 0.33 H new ATOM 0 HA LEU A 24 -3.782 3.490 -4.211 1.00 0.36 H new ATOM 0 HB2 LEU A 24 -5.215 1.620 -5.531 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.783 3.022 -6.415 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.375 3.608 -6.892 1.00 0.45 H new ATOM 0 HD11 LEU A 24 -1.707 1.813 -6.623 1.00 0.47 H new ATOM 0 HD12 LEU A 24 -2.350 2.353 -5.054 1.00 0.47 H new ATOM 0 HD13 LEU A 24 -2.914 0.824 -5.768 1.00 0.47 H new ATOM 0 HD21 LEU A 24 -3.121 1.912 -8.649 1.00 0.48 H new ATOM 0 HD22 LEU A 24 -4.378 0.921 -7.871 1.00 0.48 H new ATOM 0 HD23 LEU A 24 -4.793 2.513 -8.548 1.00 0.48 H new ATOM 408 N GLU A 25 -6.328 5.392 -4.433 1.00 0.47 N ATOM 409 CA GLU A 25 -6.741 6.759 -4.721 1.00 0.52 C ATOM 410 C GLU A 25 -6.960 7.553 -3.448 1.00 0.56 C ATOM 411 O GLU A 25 -6.721 8.759 -3.403 1.00 0.81 O ATOM 412 CB GLU A 25 -8.019 6.779 -5.559 1.00 0.59 C ATOM 413 CG GLU A 25 -7.939 5.943 -6.822 1.00 0.72 C ATOM 414 CD GLU A 25 -8.751 6.539 -7.944 1.00 1.04 C ATOM 415 OE1 GLU A 25 -9.989 6.543 -7.833 1.00 1.34 O ATOM 416 OE2 GLU A 25 -8.157 6.972 -8.955 1.00 1.30 O ATOM 0 H GLU A 25 -6.988 4.850 -3.875 1.00 0.47 H new ATOM 0 HA GLU A 25 -5.934 7.224 -5.287 1.00 0.52 H new ATOM 0 HB2 GLU A 25 -8.848 6.419 -4.949 1.00 0.59 H new ATOM 0 HB3 GLU A 25 -8.247 7.810 -5.831 1.00 0.59 H new ATOM 0 HG2 GLU A 25 -6.898 5.856 -7.134 1.00 0.72 H new ATOM 0 HG3 GLU A 25 -8.295 4.934 -6.613 1.00 0.72 H new ATOM 423 N GLY A 26 -7.396 6.863 -2.414 1.00 0.54 N ATOM 424 CA GLY A 26 -7.765 7.517 -1.183 1.00 0.61 C ATOM 425 C GLY A 26 -6.604 7.666 -0.229 1.00 0.48 C ATOM 426 O GLY A 26 -6.811 7.804 0.968 1.00 0.55 O ATOM 0 H GLY A 26 -7.502 5.849 -2.405 1.00 0.54 H new ATOM 0 HA2 GLY A 26 -8.173 8.502 -1.408 1.00 0.61 H new ATOM 0 HA3 GLY A 26 -8.557 6.947 -0.698 1.00 0.61 H new ATOM 430 N PHE A 27 -5.387 7.643 -0.759 1.00 0.47 N ATOM 431 CA PHE A 27 -4.195 7.824 0.039 1.00 0.62 C ATOM 432 C PHE A 27 -4.364 9.017 0.984 1.00 0.66 C ATOM 433 O PHE A 27 -4.254 8.850 2.188 1.00 0.88 O ATOM 434 CB PHE A 27 -2.985 8.025 -0.882 1.00 0.73 C ATOM 435 CG PHE A 27 -1.684 7.540 -0.313 1.00 0.88 C ATOM 436 CD1 PHE A 27 -1.097 8.213 0.742 1.00 1.54 C ATOM 437 CD2 PHE A 27 -1.056 6.417 -0.822 1.00 1.10 C ATOM 438 CE1 PHE A 27 0.100 7.776 1.278 1.00 1.96 C ATOM 439 CE2 PHE A 27 0.142 5.976 -0.290 1.00 1.54 C ATOM 440 CZ PHE A 27 0.724 6.626 0.724 1.00 1.83 C ATOM 0 H PHE A 27 -5.206 7.498 -1.752 1.00 0.47 H new ATOM 0 HA PHE A 27 -4.029 6.934 0.646 1.00 0.62 H new ATOM 0 HB2 PHE A 27 -3.171 7.508 -1.823 1.00 0.73 H new ATOM 0 HB3 PHE A 27 -2.893 9.086 -1.114 1.00 0.73 H new ATOM 0 HD1 PHE A 27 -1.578 9.089 1.152 1.00 1.54 H new ATOM 0 HD2 PHE A 27 -1.506 5.879 -1.643 1.00 1.10 H new ATOM 0 HE1 PHE A 27 0.554 8.301 2.105 1.00 1.96 H new ATOM 0 HE2 PHE A 27 0.614 5.095 -0.699 1.00 1.54 H new ATOM 0 HZ PHE A 27 1.666 6.277 1.121 1.00 1.83 H new ATOM 450 N PRO A 28 -4.690 10.225 0.469 1.00 0.63 N ATOM 451 CA PRO A 28 -4.858 11.420 1.315 1.00 0.81 C ATOM 452 C PRO A 28 -6.001 11.323 2.341 1.00 0.83 C ATOM 453 O PRO A 28 -6.032 12.095 3.302 1.00 1.17 O ATOM 454 CB PRO A 28 -5.162 12.537 0.306 1.00 0.91 C ATOM 455 CG PRO A 28 -5.645 11.837 -0.916 1.00 0.85 C ATOM 456 CD PRO A 28 -4.899 10.543 -0.963 1.00 0.63 C ATOM 0 HA PRO A 28 -3.967 11.578 1.923 1.00 0.81 H new ATOM 0 HB2 PRO A 28 -5.917 13.222 0.692 1.00 0.91 H new ATOM 0 HB3 PRO A 28 -4.272 13.130 0.095 1.00 0.91 H new ATOM 0 HG2 PRO A 28 -6.721 11.667 -0.870 1.00 0.85 H new ATOM 0 HG3 PRO A 28 -5.454 12.432 -1.809 1.00 0.85 H new ATOM 0 HD2 PRO A 28 -5.471 9.766 -1.469 1.00 0.63 H new ATOM 0 HD3 PRO A 28 -3.954 10.642 -1.496 1.00 0.63 H new ATOM 464 N GLU A 29 -6.924 10.375 2.171 1.00 0.59 N ATOM 465 CA GLU A 29 -8.124 10.348 3.010 1.00 0.64 C ATOM 466 C GLU A 29 -8.020 9.334 4.154 1.00 0.53 C ATOM 467 O GLU A 29 -9.005 9.086 4.857 1.00 0.68 O ATOM 468 CB GLU A 29 -9.380 10.072 2.177 1.00 0.75 C ATOM 469 CG GLU A 29 -9.479 8.656 1.638 1.00 0.73 C ATOM 470 CD GLU A 29 -10.826 8.361 1.020 1.00 0.99 C ATOM 471 OE1 GLU A 29 -11.069 8.790 -0.123 1.00 1.20 O ATOM 472 OE2 GLU A 29 -11.653 7.709 1.687 1.00 1.21 O ATOM 0 H GLU A 29 -6.868 9.631 1.476 1.00 0.59 H new ATOM 0 HA GLU A 29 -8.205 11.339 3.455 1.00 0.64 H new ATOM 0 HB2 GLU A 29 -10.259 10.277 2.789 1.00 0.75 H new ATOM 0 HB3 GLU A 29 -9.405 10.769 1.339 1.00 0.75 H new ATOM 0 HG2 GLU A 29 -8.700 8.500 0.892 1.00 0.73 H new ATOM 0 HG3 GLU A 29 -9.292 7.950 2.447 1.00 0.73 H new ATOM 479 N TRP A 30 -6.851 8.735 4.340 1.00 0.51 N ATOM 480 CA TRP A 30 -6.627 7.918 5.527 1.00 0.46 C ATOM 481 C TRP A 30 -6.051 8.812 6.621 1.00 0.51 C ATOM 482 O TRP A 30 -5.999 10.033 6.463 1.00 0.79 O ATOM 483 CB TRP A 30 -5.653 6.757 5.281 1.00 0.72 C ATOM 484 CG TRP A 30 -5.713 6.107 3.933 1.00 0.59 C ATOM 485 CD1 TRP A 30 -6.819 5.811 3.194 1.00 0.53 C ATOM 486 CD2 TRP A 30 -4.590 5.633 3.182 1.00 1.56 C ATOM 487 NE1 TRP A 30 -6.444 5.211 2.015 1.00 0.64 N ATOM 488 CE2 TRP A 30 -5.085 5.083 1.990 1.00 1.54 C ATOM 489 CE3 TRP A 30 -3.210 5.628 3.397 1.00 2.60 C ATOM 490 CZ2 TRP A 30 -4.251 4.534 1.018 1.00 2.50 C ATOM 491 CZ3 TRP A 30 -2.385 5.082 2.433 1.00 3.54 C ATOM 492 CH2 TRP A 30 -2.909 4.540 1.256 1.00 3.48 C ATOM 0 H TRP A 30 -6.059 8.796 3.700 1.00 0.51 H new ATOM 0 HA TRP A 30 -7.584 7.483 5.814 1.00 0.46 H new ATOM 0 HB2 TRP A 30 -4.639 7.124 5.438 1.00 0.72 H new ATOM 0 HB3 TRP A 30 -5.836 5.993 6.036 1.00 0.72 H new ATOM 0 HD1 TRP A 30 -7.837 6.017 3.490 1.00 0.53 H new ATOM 0 HE1 TRP A 30 -7.080 4.910 1.277 1.00 0.64 H new ATOM 0 HE3 TRP A 30 -2.794 6.044 4.303 1.00 2.60 H new ATOM 0 HZ2 TRP A 30 -4.654 4.118 0.107 1.00 2.50 H new ATOM 0 HZ3 TRP A 30 -1.317 5.074 2.591 1.00 3.54 H new ATOM 0 HH2 TRP A 30 -2.238 4.118 0.522 1.00 3.48 H new ATOM 503 N TRP A 31 -5.612 8.225 7.726 1.00 0.49 N ATOM 504 CA TRP A 31 -4.915 9.002 8.755 1.00 0.63 C ATOM 505 C TRP A 31 -3.728 8.269 9.444 1.00 0.71 C ATOM 506 O TRP A 31 -3.329 8.679 10.535 1.00 1.20 O ATOM 507 CB TRP A 31 -5.923 9.469 9.811 1.00 0.79 C ATOM 508 CG TRP A 31 -7.107 8.557 9.960 1.00 0.93 C ATOM 509 CD1 TRP A 31 -7.142 7.347 10.587 1.00 0.81 C ATOM 510 CD2 TRP A 31 -8.433 8.790 9.467 1.00 1.96 C ATOM 511 NE1 TRP A 31 -8.402 6.810 10.506 1.00 1.15 N ATOM 512 CE2 TRP A 31 -9.213 7.677 9.830 1.00 2.01 C ATOM 513 CE3 TRP A 31 -9.038 9.832 8.756 1.00 3.01 C ATOM 514 CZ2 TRP A 31 -10.561 7.572 9.505 1.00 3.01 C ATOM 515 CZ3 TRP A 31 -10.377 9.726 8.436 1.00 4.02 C ATOM 516 CH2 TRP A 31 -11.128 8.604 8.811 1.00 4.01 C ATOM 0 H TRP A 31 -5.720 7.233 7.936 1.00 0.49 H new ATOM 0 HA TRP A 31 -4.466 9.847 8.234 1.00 0.63 H new ATOM 0 HB2 TRP A 31 -5.416 9.552 10.772 1.00 0.79 H new ATOM 0 HB3 TRP A 31 -6.275 10.467 9.549 1.00 0.79 H new ATOM 0 HD1 TRP A 31 -6.300 6.879 11.076 1.00 0.81 H new ATOM 0 HE1 TRP A 31 -8.687 5.909 10.889 1.00 1.15 H new ATOM 0 HE3 TRP A 31 -8.469 10.702 8.463 1.00 3.01 H new ATOM 0 HZ2 TRP A 31 -11.139 6.706 9.791 1.00 3.01 H new ATOM 0 HZ3 TRP A 31 -10.855 10.523 7.886 1.00 4.02 H new ATOM 0 HH2 TRP A 31 -12.174 8.554 8.547 1.00 4.01 H new ATOM 527 N PRO A 32 -3.107 7.212 8.850 1.00 0.59 N ATOM 528 CA PRO A 32 -1.989 6.508 9.475 1.00 0.65 C ATOM 529 C PRO A 32 -0.604 7.003 9.013 1.00 0.80 C ATOM 530 O PRO A 32 0.315 7.131 9.820 1.00 1.65 O ATOM 531 CB PRO A 32 -2.217 5.056 9.024 1.00 0.69 C ATOM 532 CG PRO A 32 -3.253 5.110 7.932 1.00 0.73 C ATOM 533 CD PRO A 32 -3.439 6.558 7.589 1.00 0.87 C ATOM 0 HA PRO A 32 -1.973 6.658 10.555 1.00 0.65 H new ATOM 0 HB2 PRO A 32 -1.291 4.612 8.659 1.00 0.69 H new ATOM 0 HB3 PRO A 32 -2.560 4.440 9.855 1.00 0.69 H new ATOM 0 HG2 PRO A 32 -2.926 4.544 7.060 1.00 0.73 H new ATOM 0 HG3 PRO A 32 -4.191 4.667 8.266 1.00 0.73 H new ATOM 0 HD2 PRO A 32 -2.781 6.874 6.780 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -4.459 6.775 7.273 1.00 0.87 H new ATOM 541 N ASN A 33 -0.457 7.271 7.716 1.00 0.76 N ATOM 542 CA ASN A 33 0.837 7.659 7.139 1.00 0.70 C ATOM 543 C ASN A 33 0.702 8.968 6.390 1.00 0.66 C ATOM 544 O ASN A 33 1.509 9.880 6.548 1.00 0.71 O ATOM 545 CB ASN A 33 1.305 6.601 6.152 1.00 0.84 C ATOM 546 CG ASN A 33 2.806 6.632 5.897 1.00 1.00 C ATOM 547 OD1 ASN A 33 3.444 7.773 6.125 1.00 1.74 O flip ATOM 548 ND2 ASN A 33 3.396 5.623 5.514 1.00 1.06 N flip ATOM 0 H ASN A 33 -1.219 7.227 7.040 1.00 0.76 H new ATOM 0 HA ASN A 33 1.555 7.762 7.953 1.00 0.70 H new ATOM 0 HB2 ASN A 33 1.028 5.616 6.528 1.00 0.84 H new ATOM 0 HB3 ASN A 33 0.781 6.740 5.207 1.00 0.84 H new ATOM 0 HD21 ASN A 33 2.877 4.761 5.348 1.00 1.06 H new ATOM 0 HD22 ASN A 33 4.404 5.648 5.363 1.00 1.06 H new ATOM 555 N ASN A 34 -0.340 9.030 5.575 1.00 0.74 N ATOM 556 CA ASN A 34 -0.626 10.167 4.699 1.00 0.87 C ATOM 557 C ASN A 34 -1.087 11.393 5.491 1.00 0.96 C ATOM 558 O ASN A 34 -1.650 12.328 4.918 1.00 1.29 O ATOM 559 CB ASN A 34 -1.755 9.766 3.759 1.00 1.13 C ATOM 560 CG ASN A 34 -2.952 9.336 4.568 1.00 1.50 C ATOM 561 OD1 ASN A 34 -3.060 8.186 4.980 1.00 2.34 O ATOM 562 ND2 ASN A 34 -3.832 10.274 4.822 1.00 1.46 N ATOM 0 H ASN A 34 -1.026 8.279 5.499 1.00 0.74 H new ATOM 0 HA ASN A 34 0.287 10.425 4.162 1.00 0.87 H new ATOM 0 HB2 ASN A 34 -2.020 10.603 3.114 1.00 1.13 H new ATOM 0 HB3 ASN A 34 -1.431 8.953 3.109 1.00 1.13 H new ATOM 0 HD21 ASN A 34 -4.654 10.062 5.387 1.00 1.46 H new ATOM 0 HD22 ASN A 34 -3.694 11.216 4.455 1.00 1.46 H new ATOM 569 N PHE A 35 -0.875 11.373 6.796 1.00 1.02 N ATOM 570 CA PHE A 35 -1.345 12.443 7.682 1.00 1.36 C ATOM 571 C PHE A 35 -0.483 13.714 7.538 1.00 1.18 C ATOM 572 O PHE A 35 -0.085 14.334 8.526 1.00 1.56 O ATOM 573 CB PHE A 35 -1.327 11.932 9.129 1.00 1.96 C ATOM 574 CG PHE A 35 -2.207 12.710 10.071 1.00 2.65 C ATOM 575 CD1 PHE A 35 -3.585 12.677 9.939 1.00 3.31 C ATOM 576 CD2 PHE A 35 -1.653 13.478 11.084 1.00 3.02 C ATOM 577 CE1 PHE A 35 -4.395 13.395 10.799 1.00 4.29 C ATOM 578 CE2 PHE A 35 -2.459 14.197 11.948 1.00 3.90 C ATOM 579 CZ PHE A 35 -3.836 14.131 11.820 1.00 4.55 C ATOM 0 H PHE A 35 -0.377 10.624 7.276 1.00 1.02 H new ATOM 0 HA PHE A 35 -2.363 12.715 7.402 1.00 1.36 H new ATOM 0 HB2 PHE A 35 -1.639 10.888 9.137 1.00 1.96 H new ATOM 0 HB3 PHE A 35 -0.302 11.961 9.500 1.00 1.96 H new ATOM 0 HD1 PHE A 35 -4.032 12.084 9.155 1.00 3.31 H new ATOM 0 HD2 PHE A 35 -0.580 13.515 11.200 1.00 3.02 H new ATOM 0 HE1 PHE A 35 -5.467 13.379 10.670 1.00 4.29 H new ATOM 0 HE2 PHE A 35 -2.016 14.808 12.720 1.00 3.90 H new ATOM 0 HZ PHE A 35 -4.470 14.656 12.519 1.00 4.55 H new ATOM 589 N ARG A 36 -0.224 14.107 6.296 1.00 1.03 N ATOM 590 CA ARG A 36 0.630 15.248 5.992 1.00 1.10 C ATOM 591 C ARG A 36 0.141 15.974 4.741 1.00 0.98 C ATOM 592 O ARG A 36 -0.896 15.619 4.178 1.00 1.26 O ATOM 593 CB ARG A 36 2.080 14.789 5.794 1.00 1.32 C ATOM 594 CG ARG A 36 2.793 14.378 7.076 1.00 1.67 C ATOM 595 CD ARG A 36 3.207 15.584 7.911 1.00 1.88 C ATOM 596 NE ARG A 36 2.075 16.438 8.265 1.00 2.39 N ATOM 597 CZ ARG A 36 2.193 17.653 8.789 1.00 3.06 C ATOM 598 NH1 ARG A 36 3.395 18.137 9.083 1.00 3.35 N ATOM 599 NH2 ARG A 36 1.114 18.384 9.024 1.00 3.90 N ATOM 0 H ARG A 36 -0.601 13.642 5.470 1.00 1.03 H new ATOM 0 HA ARG A 36 0.586 15.939 6.834 1.00 1.10 H new ATOM 0 HB2 ARG A 36 2.090 13.947 5.102 1.00 1.32 H new ATOM 0 HB3 ARG A 36 2.642 15.596 5.323 1.00 1.32 H new ATOM 0 HG2 ARG A 36 2.138 13.737 7.666 1.00 1.67 H new ATOM 0 HG3 ARG A 36 3.676 13.789 6.827 1.00 1.67 H new ATOM 0 HD2 ARG A 36 3.696 15.240 8.822 1.00 1.88 H new ATOM 0 HD3 ARG A 36 3.940 16.170 7.357 1.00 1.88 H new ATOM 0 HE ARG A 36 1.135 16.078 8.099 1.00 2.39 H new ATOM 0 HH11 ARG A 36 4.228 17.576 8.906 1.00 3.35 H new ATOM 0 HH12 ARG A 36 3.485 19.070 9.485 1.00 3.35 H new ATOM 0 HH21 ARG A 36 0.189 18.014 8.803 1.00 3.90 H new ATOM 0 HH22 ARG A 36 1.208 19.317 9.426 1.00 3.90 H new ATOM 613 N THR A 37 0.867 17.013 4.340 1.00 1.01 N ATOM 614 CA THR A 37 0.584 17.742 3.106 1.00 0.97 C ATOM 615 C THR A 37 1.887 17.988 2.343 1.00 0.87 C ATOM 616 O THR A 37 2.895 18.326 2.967 1.00 1.01 O ATOM 617 CB THR A 37 -0.107 19.089 3.400 1.00 1.24 C ATOM 618 OG1 THR A 37 0.571 19.759 4.472 1.00 1.96 O ATOM 619 CG2 THR A 37 -1.570 18.887 3.768 1.00 1.77 C ATOM 0 H THR A 37 1.667 17.374 4.860 1.00 1.01 H new ATOM 0 HA THR A 37 -0.091 17.137 2.500 1.00 0.97 H new ATOM 0 HB THR A 37 -0.061 19.698 2.497 1.00 1.24 H new ATOM 0 HG1 THR A 37 0.130 20.615 4.654 1.00 1.96 H new ATOM 0 HG21 THR A 37 -2.031 19.854 3.970 1.00 1.77 H new ATOM 0 HG22 THR A 37 -2.090 18.403 2.941 1.00 1.77 H new ATOM 0 HG23 THR A 37 -1.638 18.260 4.657 1.00 1.77 H new ATOM 627 N THR A 38 1.874 17.782 1.010 1.00 0.80 N ATOM 628 CA THR A 38 3.076 17.942 0.170 1.00 0.84 C ATOM 629 C THR A 38 4.203 17.125 0.764 1.00 0.97 C ATOM 630 O THR A 38 5.371 17.507 0.778 1.00 1.46 O ATOM 631 CB THR A 38 3.486 19.426 0.010 1.00 1.01 C ATOM 632 OG1 THR A 38 3.783 20.030 1.273 1.00 1.20 O ATOM 633 CG2 THR A 38 2.371 20.206 -0.664 1.00 1.07 C ATOM 0 H THR A 38 1.041 17.504 0.492 1.00 0.80 H new ATOM 0 HA THR A 38 2.849 17.580 -0.833 1.00 0.84 H new ATOM 0 HB THR A 38 4.385 19.452 -0.606 1.00 1.01 H new ATOM 0 HG1 THR A 38 3.826 19.337 1.965 1.00 1.20 H new ATOM 0 HG21 THR A 38 2.670 21.249 -0.772 1.00 1.07 H new ATOM 0 HG22 THR A 38 2.174 19.782 -1.648 1.00 1.07 H new ATOM 0 HG23 THR A 38 1.468 20.148 -0.056 1.00 1.07 H new ATOM 641 N LYS A 39 3.795 15.975 1.232 1.00 0.88 N ATOM 642 CA LYS A 39 4.633 15.067 1.973 1.00 1.09 C ATOM 643 C LYS A 39 4.191 13.662 1.613 1.00 1.05 C ATOM 644 O LYS A 39 3.759 13.408 0.489 1.00 1.79 O ATOM 645 CB LYS A 39 4.398 15.314 3.466 1.00 1.32 C ATOM 646 CG LYS A 39 5.642 15.322 4.361 1.00 1.68 C ATOM 647 CD LYS A 39 6.480 14.059 4.236 1.00 1.96 C ATOM 648 CE LYS A 39 7.666 14.279 3.317 1.00 2.55 C ATOM 649 NZ LYS A 39 8.397 13.020 3.036 1.00 3.43 N ATOM 0 H LYS A 39 2.842 15.633 1.105 1.00 0.88 H new ATOM 0 HA LYS A 39 5.689 15.206 1.743 1.00 1.09 H new ATOM 0 HB2 LYS A 39 3.891 16.272 3.578 1.00 1.32 H new ATOM 0 HB3 LYS A 39 3.716 14.548 3.836 1.00 1.32 H new ATOM 0 HG2 LYS A 39 6.258 16.185 4.108 1.00 1.68 H new ATOM 0 HG3 LYS A 39 5.334 15.444 5.399 1.00 1.68 H new ATOM 0 HD2 LYS A 39 6.831 13.753 5.221 1.00 1.96 H new ATOM 0 HD3 LYS A 39 5.864 13.247 3.851 1.00 1.96 H new ATOM 0 HE2 LYS A 39 7.321 14.714 2.379 1.00 2.55 H new ATOM 0 HE3 LYS A 39 8.347 14.999 3.771 1.00 2.55 H new ATOM 0 HZ1 LYS A 39 9.407 13.227 2.903 1.00 3.43 H new ATOM 0 HZ2 LYS A 39 8.280 12.365 3.835 1.00 3.43 H new ATOM 0 HZ3 LYS A 39 8.017 12.583 2.172 1.00 3.43 H new ATOM 663 N VAL A 40 4.276 12.759 2.562 1.00 1.04 N ATOM 664 CA VAL A 40 3.538 11.538 2.469 1.00 0.99 C ATOM 665 C VAL A 40 2.130 11.881 2.946 1.00 1.00 C ATOM 666 O VAL A 40 1.871 11.987 4.145 1.00 1.69 O ATOM 667 CB VAL A 40 4.153 10.391 3.303 1.00 1.11 C ATOM 668 CG1 VAL A 40 4.494 10.839 4.723 1.00 1.76 C ATOM 669 CG2 VAL A 40 3.206 9.205 3.326 1.00 1.47 C ATOM 0 H VAL A 40 4.849 12.853 3.401 1.00 1.04 H new ATOM 0 HA VAL A 40 3.548 11.162 1.446 1.00 0.99 H new ATOM 0 HB VAL A 40 5.088 10.094 2.828 1.00 1.11 H new ATOM 0 HG11 VAL A 40 4.924 10.003 5.275 1.00 1.76 H new ATOM 0 HG12 VAL A 40 5.214 11.656 4.684 1.00 1.76 H new ATOM 0 HG13 VAL A 40 3.588 11.178 5.225 1.00 1.76 H new ATOM 0 HG21 VAL A 40 3.645 8.400 3.915 1.00 1.47 H new ATOM 0 HG22 VAL A 40 2.258 9.505 3.772 1.00 1.47 H new ATOM 0 HG23 VAL A 40 3.034 8.857 2.308 1.00 1.47 H new ATOM 679 N GLY A 41 1.247 12.123 2.007 1.00 0.99 N ATOM 680 CA GLY A 41 0.034 12.823 2.311 1.00 1.26 C ATOM 681 C GLY A 41 -0.113 14.053 1.443 1.00 1.19 C ATOM 682 O GLY A 41 0.369 15.134 1.779 1.00 1.79 O ATOM 0 H GLY A 41 1.350 11.845 1.031 1.00 0.99 H new ATOM 0 HA2 GLY A 41 -0.819 12.162 2.159 1.00 1.26 H new ATOM 0 HA3 GLY A 41 0.030 13.112 3.362 1.00 1.26 H new ATOM 686 N ALA A 42 -0.711 13.867 0.289 1.00 0.72 N ATOM 687 CA ALA A 42 -0.991 14.960 -0.627 1.00 0.66 C ATOM 688 C ALA A 42 -2.128 14.576 -1.577 1.00 0.69 C ATOM 689 O ALA A 42 -2.546 13.421 -1.602 1.00 0.96 O ATOM 690 CB ALA A 42 0.274 15.321 -1.389 1.00 0.68 C ATOM 0 H ALA A 42 -1.019 12.954 -0.046 1.00 0.72 H new ATOM 0 HA ALA A 42 -1.314 15.836 -0.064 1.00 0.66 H new ATOM 0 HB1 ALA A 42 0.064 16.141 -2.076 1.00 0.68 H new ATOM 0 HB2 ALA A 42 1.048 15.627 -0.685 1.00 0.68 H new ATOM 0 HB3 ALA A 42 0.619 14.454 -1.953 1.00 0.68 H new ATOM 696 N PRO A 43 -2.666 15.537 -2.354 1.00 0.67 N ATOM 697 CA PRO A 43 -3.786 15.282 -3.273 1.00 0.75 C ATOM 698 C PRO A 43 -3.408 14.406 -4.472 1.00 0.78 C ATOM 699 O PRO A 43 -3.398 14.877 -5.610 1.00 1.16 O ATOM 700 CB PRO A 43 -4.197 16.684 -3.755 1.00 0.91 C ATOM 701 CG PRO A 43 -3.521 17.641 -2.830 1.00 0.95 C ATOM 702 CD PRO A 43 -2.267 16.954 -2.380 1.00 0.80 C ATOM 0 HA PRO A 43 -4.580 14.732 -2.768 1.00 0.75 H new ATOM 0 HB2 PRO A 43 -3.887 16.850 -4.787 1.00 0.91 H new ATOM 0 HB3 PRO A 43 -5.280 16.807 -3.724 1.00 0.91 H new ATOM 0 HG2 PRO A 43 -3.293 18.579 -3.336 1.00 0.95 H new ATOM 0 HG3 PRO A 43 -4.161 17.883 -1.981 1.00 0.95 H new ATOM 0 HD2 PRO A 43 -1.440 17.129 -3.068 1.00 0.80 H new ATOM 0 HD3 PRO A 43 -1.944 17.302 -1.399 1.00 0.80 H new ATOM 710 N LEU A 44 -3.083 13.142 -4.208 1.00 0.59 N ATOM 711 CA LEU A 44 -2.853 12.162 -5.266 1.00 0.70 C ATOM 712 C LEU A 44 -2.625 10.773 -4.674 1.00 0.58 C ATOM 713 O LEU A 44 -3.558 9.980 -4.551 1.00 0.77 O ATOM 714 CB LEU A 44 -1.658 12.552 -6.142 1.00 0.94 C ATOM 715 CG LEU A 44 -1.422 11.630 -7.337 1.00 1.43 C ATOM 716 CD1 LEU A 44 -2.611 11.660 -8.282 1.00 2.01 C ATOM 717 CD2 LEU A 44 -0.154 12.022 -8.072 1.00 1.96 C ATOM 0 H LEU A 44 -2.973 12.771 -3.264 1.00 0.59 H new ATOM 0 HA LEU A 44 -3.746 12.144 -5.891 1.00 0.70 H new ATOM 0 HB2 LEU A 44 -1.807 13.568 -6.507 1.00 0.94 H new ATOM 0 HB3 LEU A 44 -0.760 12.564 -5.525 1.00 0.94 H new ATOM 0 HG LEU A 44 -1.305 10.613 -6.963 1.00 1.43 H new ATOM 0 HD11 LEU A 44 -2.422 10.997 -9.126 1.00 2.01 H new ATOM 0 HD12 LEU A 44 -3.505 11.329 -7.753 1.00 2.01 H new ATOM 0 HD13 LEU A 44 -2.761 12.676 -8.646 1.00 2.01 H new ATOM 0 HD21 LEU A 44 -0.003 11.354 -8.920 1.00 1.96 H new ATOM 0 HD22 LEU A 44 -0.243 13.048 -8.430 1.00 1.96 H new ATOM 0 HD23 LEU A 44 0.697 11.947 -7.395 1.00 1.96 H new ATOM 729 N GLY A 45 -1.382 10.492 -4.312 1.00 0.51 N ATOM 730 CA GLY A 45 -1.045 9.225 -3.693 1.00 0.69 C ATOM 731 C GLY A 45 -0.492 8.223 -4.686 1.00 0.63 C ATOM 732 O GLY A 45 0.591 7.677 -4.486 1.00 0.67 O ATOM 0 H GLY A 45 -0.593 11.126 -4.437 1.00 0.51 H new ATOM 0 HA2 GLY A 45 -0.311 9.393 -2.905 1.00 0.69 H new ATOM 0 HA3 GLY A 45 -1.933 8.809 -3.218 1.00 0.69 H new ATOM 736 N VAL A 46 -1.230 7.981 -5.760 1.00 0.60 N ATOM 737 CA VAL A 46 -0.826 7.018 -6.778 1.00 0.55 C ATOM 738 C VAL A 46 -1.237 7.517 -8.159 1.00 0.57 C ATOM 739 O VAL A 46 -2.238 8.221 -8.300 1.00 0.68 O ATOM 740 CB VAL A 46 -1.466 5.628 -6.542 1.00 0.62 C ATOM 741 CG1 VAL A 46 -0.876 4.591 -7.487 1.00 0.81 C ATOM 742 CG2 VAL A 46 -1.307 5.179 -5.097 1.00 0.82 C ATOM 0 H VAL A 46 -2.120 8.442 -5.951 1.00 0.60 H new ATOM 0 HA VAL A 46 0.257 6.917 -6.716 1.00 0.55 H new ATOM 0 HB VAL A 46 -2.532 5.721 -6.750 1.00 0.62 H new ATOM 0 HG11 VAL A 46 -1.342 3.623 -7.302 1.00 0.81 H new ATOM 0 HG12 VAL A 46 -1.061 4.891 -8.518 1.00 0.81 H new ATOM 0 HG13 VAL A 46 0.198 4.515 -7.319 1.00 0.81 H new ATOM 0 HG21 VAL A 46 -1.768 4.200 -4.967 1.00 0.82 H new ATOM 0 HG22 VAL A 46 -0.247 5.117 -4.850 1.00 0.82 H new ATOM 0 HG23 VAL A 46 -1.792 5.898 -4.437 1.00 0.82 H new ATOM 752 N ASP A 47 -0.481 7.123 -9.167 1.00 0.53 N ATOM 753 CA ASP A 47 -0.786 7.455 -10.543 1.00 0.61 C ATOM 754 C ASP A 47 -1.484 6.276 -11.199 1.00 0.62 C ATOM 755 O ASP A 47 -0.958 5.157 -11.188 1.00 0.60 O ATOM 756 CB ASP A 47 0.490 7.794 -11.302 1.00 0.67 C ATOM 757 CG ASP A 47 0.267 7.928 -12.793 1.00 0.84 C ATOM 758 OD1 ASP A 47 -0.551 8.777 -13.194 1.00 1.39 O ATOM 759 OD2 ASP A 47 0.893 7.175 -13.569 1.00 1.31 O ATOM 0 H ASP A 47 0.363 6.562 -9.052 1.00 0.53 H new ATOM 0 HA ASP A 47 -1.441 8.326 -10.565 1.00 0.61 H new ATOM 0 HB2 ASP A 47 0.900 8.727 -10.915 1.00 0.67 H new ATOM 0 HB3 ASP A 47 1.233 7.018 -11.119 1.00 0.67 H new ATOM 764 N LYS A 48 -2.664 6.524 -11.753 1.00 0.77 N ATOM 765 CA LYS A 48 -3.497 5.462 -12.310 1.00 0.90 C ATOM 766 C LYS A 48 -3.028 5.031 -13.694 1.00 0.91 C ATOM 767 O LYS A 48 -2.935 3.838 -13.981 1.00 1.07 O ATOM 768 CB LYS A 48 -4.956 5.918 -12.395 1.00 1.18 C ATOM 769 CG LYS A 48 -5.561 6.329 -11.065 1.00 1.12 C ATOM 770 CD LYS A 48 -5.538 5.191 -10.059 1.00 0.95 C ATOM 771 CE LYS A 48 -4.626 5.507 -8.884 1.00 1.64 C ATOM 772 NZ LYS A 48 -5.074 6.715 -8.142 1.00 2.47 N ATOM 0 H LYS A 48 -3.069 7.457 -11.829 1.00 0.77 H new ATOM 0 HA LYS A 48 -3.411 4.607 -11.639 1.00 0.90 H new ATOM 0 HB2 LYS A 48 -5.022 6.758 -13.086 1.00 1.18 H new ATOM 0 HB3 LYS A 48 -5.553 5.110 -12.818 1.00 1.18 H new ATOM 0 HG2 LYS A 48 -5.011 7.180 -10.663 1.00 1.12 H new ATOM 0 HG3 LYS A 48 -6.589 6.657 -11.219 1.00 1.12 H new ATOM 0 HD2 LYS A 48 -6.549 5.003 -9.697 1.00 0.95 H new ATOM 0 HD3 LYS A 48 -5.200 4.278 -10.548 1.00 0.95 H new ATOM 0 HE2 LYS A 48 -4.599 4.654 -8.206 1.00 1.64 H new ATOM 0 HE3 LYS A 48 -3.609 5.659 -9.245 1.00 1.64 H new ATOM 0 HZ1 LYS A 48 -5.054 6.522 -7.120 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 -4.439 7.510 -8.357 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 -6.043 6.959 -8.429 1.00 2.47 H new ATOM 786 N LYS A 49 -2.727 6.004 -14.544 1.00 0.89 N ATOM 787 CA LYS A 49 -2.460 5.726 -15.951 1.00 0.98 C ATOM 788 C LYS A 49 -1.103 5.070 -16.168 1.00 0.84 C ATOM 789 O LYS A 49 -0.842 4.506 -17.235 1.00 0.96 O ATOM 790 CB LYS A 49 -2.563 7.009 -16.780 1.00 1.19 C ATOM 791 CG LYS A 49 -1.653 8.133 -16.310 1.00 1.20 C ATOM 792 CD LYS A 49 -1.724 9.323 -17.250 1.00 1.52 C ATOM 793 CE LYS A 49 -1.154 8.982 -18.617 1.00 2.17 C ATOM 794 NZ LYS A 49 -1.378 10.068 -19.606 1.00 2.61 N ATOM 0 H LYS A 49 -2.662 6.989 -14.286 1.00 0.89 H new ATOM 0 HA LYS A 49 -3.219 5.018 -16.283 1.00 0.98 H new ATOM 0 HB2 LYS A 49 -2.327 6.777 -17.818 1.00 1.19 H new ATOM 0 HB3 LYS A 49 -3.595 7.360 -16.758 1.00 1.19 H new ATOM 0 HG2 LYS A 49 -1.941 8.442 -15.305 1.00 1.20 H new ATOM 0 HG3 LYS A 49 -0.626 7.773 -16.251 1.00 1.20 H new ATOM 0 HD2 LYS A 49 -2.760 9.644 -17.356 1.00 1.52 H new ATOM 0 HD3 LYS A 49 -1.173 10.160 -16.822 1.00 1.52 H new ATOM 0 HE2 LYS A 49 -0.085 8.791 -18.525 1.00 2.17 H new ATOM 0 HE3 LYS A 49 -1.612 8.062 -18.980 1.00 2.17 H new ATOM 0 HZ1 LYS A 49 -0.973 9.791 -20.523 1.00 2.61 H new ATOM 0 HZ2 LYS A 49 -2.399 10.234 -19.714 1.00 2.61 H new ATOM 0 HZ3 LYS A 49 -0.919 10.940 -19.274 1.00 2.61 H new ATOM 808 N GLY A 50 -0.230 5.147 -15.176 1.00 0.75 N ATOM 809 CA GLY A 50 1.063 4.517 -15.305 1.00 0.86 C ATOM 810 C GLY A 50 1.322 3.471 -14.254 1.00 0.77 C ATOM 811 O GLY A 50 2.142 2.571 -14.457 1.00 1.01 O ATOM 0 H GLY A 50 -0.393 5.630 -14.292 1.00 0.75 H new ATOM 0 HA2 GLY A 50 1.140 4.059 -16.291 1.00 0.86 H new ATOM 0 HA3 GLY A 50 1.839 5.280 -15.247 1.00 0.86 H new ATOM 815 N GLY A 51 0.631 3.579 -13.131 1.00 0.58 N ATOM 816 CA GLY A 51 0.824 2.631 -12.064 1.00 0.60 C ATOM 817 C GLY A 51 2.064 2.954 -11.263 1.00 0.55 C ATOM 818 O GLY A 51 3.069 2.247 -11.341 1.00 0.62 O ATOM 0 H GLY A 51 -0.059 4.307 -12.943 1.00 0.58 H new ATOM 0 HA2 GLY A 51 -0.047 2.635 -11.408 1.00 0.60 H new ATOM 0 HA3 GLY A 51 0.907 1.626 -12.478 1.00 0.60 H new ATOM 822 N ARG A 52 2.000 4.026 -10.497 1.00 0.49 N ATOM 823 CA ARG A 52 3.154 4.489 -9.737 1.00 0.50 C ATOM 824 C ARG A 52 2.700 5.389 -8.591 1.00 0.55 C ATOM 825 O ARG A 52 1.913 6.294 -8.798 1.00 0.69 O ATOM 826 CB ARG A 52 4.099 5.240 -10.681 1.00 0.61 C ATOM 827 CG ARG A 52 3.374 6.276 -11.523 1.00 1.38 C ATOM 828 CD ARG A 52 4.303 7.038 -12.446 1.00 2.00 C ATOM 829 NE ARG A 52 3.598 8.133 -13.111 1.00 2.60 N ATOM 830 CZ ARG A 52 4.012 9.399 -13.106 1.00 3.32 C ATOM 831 NH1 ARG A 52 5.177 9.719 -12.554 1.00 3.64 N ATOM 832 NH2 ARG A 52 3.270 10.344 -13.677 1.00 4.09 N ATOM 0 H ARG A 52 1.162 4.596 -10.382 1.00 0.49 H new ATOM 0 HA ARG A 52 3.682 3.638 -9.305 1.00 0.50 H new ATOM 0 HB2 ARG A 52 4.877 5.731 -10.097 1.00 0.61 H new ATOM 0 HB3 ARG A 52 4.596 4.526 -11.337 1.00 0.61 H new ATOM 0 HG2 ARG A 52 2.605 5.781 -12.117 1.00 1.38 H new ATOM 0 HG3 ARG A 52 2.865 6.980 -10.865 1.00 1.38 H new ATOM 0 HD2 ARG A 52 5.143 7.435 -11.876 1.00 2.00 H new ATOM 0 HD3 ARG A 52 4.716 6.360 -13.193 1.00 2.00 H new ATOM 0 HE ARG A 52 2.736 7.914 -13.610 1.00 2.60 H new ATOM 0 HH11 ARG A 52 5.758 8.994 -12.132 1.00 3.64 H new ATOM 0 HH12 ARG A 52 5.491 10.689 -12.552 1.00 3.64 H new ATOM 0 HH21 ARG A 52 2.384 10.099 -14.119 1.00 4.09 H new ATOM 0 HH22 ARG A 52 3.587 11.313 -13.673 1.00 4.09 H new ATOM 846 N TRP A 53 3.188 5.142 -7.386 1.00 0.61 N ATOM 847 CA TRP A 53 2.700 5.865 -6.208 1.00 0.67 C ATOM 848 C TRP A 53 3.468 7.172 -6.004 1.00 0.79 C ATOM 849 O TRP A 53 4.675 7.148 -5.781 1.00 1.04 O ATOM 850 CB TRP A 53 2.850 5.008 -4.948 1.00 0.88 C ATOM 851 CG TRP A 53 2.121 3.691 -4.968 1.00 0.82 C ATOM 852 CD1 TRP A 53 2.175 2.728 -5.933 1.00 0.71 C ATOM 853 CD2 TRP A 53 1.263 3.180 -3.942 1.00 1.10 C ATOM 854 NE1 TRP A 53 1.389 1.660 -5.578 1.00 0.94 N ATOM 855 CE2 TRP A 53 0.821 1.913 -4.359 1.00 1.20 C ATOM 856 CE3 TRP A 53 0.822 3.675 -2.712 1.00 1.38 C ATOM 857 CZ2 TRP A 53 -0.043 1.134 -3.590 1.00 1.58 C ATOM 858 CZ3 TRP A 53 -0.032 2.902 -1.949 1.00 1.72 C ATOM 859 CH2 TRP A 53 -0.458 1.644 -2.390 1.00 1.82 C ATOM 0 H TRP A 53 3.915 4.454 -7.192 1.00 0.61 H new ATOM 0 HA TRP A 53 1.647 6.089 -6.380 1.00 0.67 H new ATOM 0 HB2 TRP A 53 3.910 4.814 -4.786 1.00 0.88 H new ATOM 0 HB3 TRP A 53 2.498 5.585 -4.093 1.00 0.88 H new ATOM 0 HD1 TRP A 53 2.752 2.796 -6.843 1.00 0.71 H new ATOM 0 HE1 TRP A 53 1.251 0.815 -6.133 1.00 0.94 H new ATOM 0 HE3 TRP A 53 1.143 4.645 -2.364 1.00 1.38 H new ATOM 0 HZ2 TRP A 53 -0.373 0.163 -3.929 1.00 1.58 H new ATOM 0 HZ3 TRP A 53 -0.377 3.275 -0.996 1.00 1.72 H new ATOM 0 HH2 TRP A 53 -1.127 1.065 -1.771 1.00 1.82 H new ATOM 870 N TYR A 54 2.764 8.303 -6.077 1.00 0.69 N ATOM 871 CA TYR A 54 3.367 9.624 -5.848 1.00 0.88 C ATOM 872 C TYR A 54 2.349 10.577 -5.276 1.00 0.65 C ATOM 873 O TYR A 54 1.158 10.439 -5.534 1.00 0.65 O ATOM 874 CB TYR A 54 3.868 10.255 -7.137 1.00 1.24 C ATOM 875 CG TYR A 54 4.930 9.472 -7.828 1.00 1.03 C ATOM 876 CD1 TYR A 54 4.589 8.511 -8.759 1.00 0.97 C ATOM 877 CD2 TYR A 54 6.269 9.706 -7.556 1.00 1.31 C ATOM 878 CE1 TYR A 54 5.575 7.793 -9.412 1.00 1.28 C ATOM 879 CE2 TYR A 54 7.257 8.992 -8.203 1.00 1.72 C ATOM 880 CZ TYR A 54 6.905 8.037 -9.131 1.00 1.72 C ATOM 881 OH TYR A 54 7.888 7.322 -9.781 1.00 2.29 O ATOM 0 H TYR A 54 1.768 8.333 -6.294 1.00 0.69 H new ATOM 0 HA TYR A 54 4.198 9.460 -5.162 1.00 0.88 H new ATOM 0 HB2 TYR A 54 3.026 10.383 -7.817 1.00 1.24 H new ATOM 0 HB3 TYR A 54 4.252 11.251 -6.915 1.00 1.24 H new ATOM 0 HD1 TYR A 54 3.549 8.319 -8.978 1.00 0.97 H new ATOM 0 HD2 TYR A 54 6.542 10.456 -6.829 1.00 1.31 H new ATOM 0 HE1 TYR A 54 5.305 7.043 -10.140 1.00 1.28 H new ATOM 0 HE2 TYR A 54 8.298 9.180 -7.984 1.00 1.72 H new ATOM 0 HH TYR A 54 8.768 7.617 -9.468 1.00 2.29 H new ATOM 891 N GLU A 55 2.806 11.577 -4.547 1.00 0.56 N ATOM 892 CA GLU A 55 1.890 12.589 -4.056 1.00 0.50 C ATOM 893 C GLU A 55 2.393 13.975 -4.411 1.00 0.51 C ATOM 894 O GLU A 55 3.504 14.124 -4.892 1.00 0.60 O ATOM 895 CB GLU A 55 1.659 12.424 -2.561 1.00 0.63 C ATOM 896 CG GLU A 55 1.009 11.096 -2.247 1.00 0.86 C ATOM 897 CD GLU A 55 0.469 11.003 -0.848 1.00 1.62 C ATOM 898 OE1 GLU A 55 -0.682 11.412 -0.636 1.00 2.40 O ATOM 899 OE2 GLU A 55 1.195 10.528 0.041 1.00 2.04 O ATOM 0 H GLU A 55 3.783 11.710 -4.286 1.00 0.56 H new ATOM 0 HA GLU A 55 0.924 12.461 -4.544 1.00 0.50 H new ATOM 0 HB2 GLU A 55 2.610 12.499 -2.034 1.00 0.63 H new ATOM 0 HB3 GLU A 55 1.028 13.235 -2.197 1.00 0.63 H new ATOM 0 HG2 GLU A 55 0.196 10.924 -2.953 1.00 0.86 H new ATOM 0 HG3 GLU A 55 1.738 10.300 -2.399 1.00 0.86 H new ATOM 906 N ILE A 56 1.575 14.986 -4.201 1.00 0.52 N ATOM 907 CA ILE A 56 1.923 16.324 -4.645 1.00 0.62 C ATOM 908 C ILE A 56 2.701 17.085 -3.576 1.00 0.63 C ATOM 909 O ILE A 56 2.129 17.585 -2.611 1.00 0.69 O ATOM 910 CB ILE A 56 0.662 17.131 -5.024 1.00 0.76 C ATOM 911 CG1 ILE A 56 -0.238 16.321 -5.963 1.00 0.83 C ATOM 912 CG2 ILE A 56 1.050 18.453 -5.671 1.00 0.93 C ATOM 913 CD1 ILE A 56 0.433 15.920 -7.262 1.00 0.93 C ATOM 0 H ILE A 56 0.673 14.911 -3.731 1.00 0.52 H new ATOM 0 HA ILE A 56 2.555 16.208 -5.526 1.00 0.62 H new ATOM 0 HB ILE A 56 0.104 17.341 -4.111 1.00 0.76 H new ATOM 0 HG12 ILE A 56 -0.571 15.422 -5.445 1.00 0.83 H new ATOM 0 HG13 ILE A 56 -1.129 16.906 -6.191 1.00 0.83 H new ATOM 0 HG21 ILE A 56 0.149 19.009 -5.932 1.00 0.93 H new ATOM 0 HG22 ILE A 56 1.648 19.038 -4.972 1.00 0.93 H new ATOM 0 HG23 ILE A 56 1.631 18.260 -6.573 1.00 0.93 H new ATOM 0 HD11 ILE A 56 -0.267 15.350 -7.872 1.00 0.93 H new ATOM 0 HD12 ILE A 56 0.742 16.814 -7.803 1.00 0.93 H new ATOM 0 HD13 ILE A 56 1.308 15.307 -7.045 1.00 0.93 H new ATOM 925 N ASP A 57 4.012 17.146 -3.759 1.00 0.71 N ATOM 926 CA ASP A 57 4.871 18.026 -2.968 1.00 0.77 C ATOM 927 C ASP A 57 4.685 19.474 -3.431 1.00 0.89 C ATOM 928 O ASP A 57 4.159 19.724 -4.516 1.00 0.93 O ATOM 929 CB ASP A 57 6.341 17.604 -3.129 1.00 0.86 C ATOM 930 CG ASP A 57 7.292 18.324 -2.188 1.00 0.98 C ATOM 931 OD1 ASP A 57 7.568 19.519 -2.405 1.00 1.14 O ATOM 932 OD2 ASP A 57 7.758 17.699 -1.217 1.00 1.14 O ATOM 0 H ASP A 57 4.511 16.592 -4.455 1.00 0.71 H new ATOM 0 HA ASP A 57 4.597 17.949 -1.916 1.00 0.77 H new ATOM 0 HB2 ASP A 57 6.422 16.530 -2.960 1.00 0.86 H new ATOM 0 HB3 ASP A 57 6.652 17.790 -4.157 1.00 0.86 H new ATOM 937 N GLU A 58 5.115 20.422 -2.616 1.00 1.00 N ATOM 938 CA GLU A 58 5.018 21.831 -2.964 1.00 1.17 C ATOM 939 C GLU A 58 5.947 22.164 -4.132 1.00 1.28 C ATOM 940 O GLU A 58 5.681 23.087 -4.904 1.00 1.44 O ATOM 941 CB GLU A 58 5.345 22.709 -1.750 1.00 1.28 C ATOM 942 CG GLU A 58 6.653 22.346 -1.065 1.00 1.29 C ATOM 943 CD GLU A 58 6.998 23.291 0.066 1.00 1.48 C ATOM 944 OE1 GLU A 58 6.547 23.050 1.204 1.00 1.50 O ATOM 945 OE2 GLU A 58 7.715 24.282 -0.176 1.00 1.73 O ATOM 0 H GLU A 58 5.536 20.241 -1.705 1.00 1.00 H new ATOM 0 HA GLU A 58 3.993 22.037 -3.272 1.00 1.17 H new ATOM 0 HB2 GLU A 58 5.389 23.751 -2.068 1.00 1.28 H new ATOM 0 HB3 GLU A 58 4.533 22.630 -1.027 1.00 1.28 H new ATOM 0 HG2 GLU A 58 6.586 21.330 -0.677 1.00 1.29 H new ATOM 0 HG3 GLU A 58 7.458 22.354 -1.799 1.00 1.29 H new ATOM 952 N GLN A 59 7.021 21.395 -4.269 1.00 1.24 N ATOM 953 CA GLN A 59 7.982 21.607 -5.343 1.00 1.38 C ATOM 954 C GLN A 59 7.691 20.681 -6.523 1.00 1.31 C ATOM 955 O GLN A 59 8.354 20.755 -7.559 1.00 1.45 O ATOM 956 CB GLN A 59 9.410 21.382 -4.833 1.00 1.50 C ATOM 957 CG GLN A 59 9.735 19.927 -4.527 1.00 1.45 C ATOM 958 CD GLN A 59 10.540 19.758 -3.249 1.00 1.59 C ATOM 959 OE1 GLN A 59 10.319 20.641 -2.288 1.00 1.94 O flip ATOM 960 NE2 GLN A 59 11.342 18.835 -3.120 1.00 1.52 N flip ATOM 0 H GLN A 59 7.248 20.618 -3.648 1.00 1.24 H new ATOM 0 HA GLN A 59 7.889 22.638 -5.685 1.00 1.38 H new ATOM 0 HB2 GLN A 59 10.114 21.752 -5.579 1.00 1.50 H new ATOM 0 HB3 GLN A 59 9.560 21.975 -3.931 1.00 1.50 H new ATOM 0 HG2 GLN A 59 8.806 19.362 -4.443 1.00 1.45 H new ATOM 0 HG3 GLN A 59 10.293 19.501 -5.361 1.00 1.45 H new ATOM 0 HE21 GLN A 59 11.486 18.174 -3.883 1.00 1.52 H new ATOM 0 HE22 GLN A 59 11.864 18.731 -2.250 1.00 1.52 H new ATOM 969 N GLY A 60 6.695 19.814 -6.368 1.00 1.14 N ATOM 970 CA GLY A 60 6.370 18.869 -7.421 1.00 1.12 C ATOM 971 C GLY A 60 5.670 17.633 -6.895 1.00 0.97 C ATOM 972 O GLY A 60 4.545 17.710 -6.406 1.00 0.92 O ATOM 0 H GLY A 60 6.109 19.749 -5.535 1.00 1.14 H new ATOM 0 HA2 GLY A 60 5.733 19.357 -8.159 1.00 1.12 H new ATOM 0 HA3 GLY A 60 7.285 18.574 -7.935 1.00 1.12 H new ATOM 976 N GLU A 61 6.331 16.488 -6.989 1.00 0.97 N ATOM 977 CA GLU A 61 5.761 15.246 -6.491 1.00 0.87 C ATOM 978 C GLU A 61 6.582 14.717 -5.326 1.00 0.86 C ATOM 979 O GLU A 61 7.776 14.438 -5.474 1.00 1.00 O ATOM 980 CB GLU A 61 5.695 14.165 -7.578 1.00 1.00 C ATOM 981 CG GLU A 61 5.113 14.628 -8.900 1.00 1.12 C ATOM 982 CD GLU A 61 6.192 14.932 -9.915 1.00 1.33 C ATOM 983 OE1 GLU A 61 6.914 13.994 -10.316 1.00 1.72 O ATOM 984 OE2 GLU A 61 6.329 16.104 -10.317 1.00 1.63 O ATOM 0 H GLU A 61 7.258 16.394 -7.404 1.00 0.97 H new ATOM 0 HA GLU A 61 4.746 15.473 -6.166 1.00 0.87 H new ATOM 0 HB2 GLU A 61 6.701 13.784 -7.753 1.00 1.00 H new ATOM 0 HB3 GLU A 61 5.099 13.332 -7.206 1.00 1.00 H new ATOM 0 HG2 GLU A 61 4.450 13.858 -9.294 1.00 1.12 H new ATOM 0 HG3 GLU A 61 4.506 15.519 -8.738 1.00 1.12 H new ATOM 991 N GLU A 62 5.951 14.597 -4.168 1.00 0.77 N ATOM 992 CA GLU A 62 6.567 13.969 -3.033 1.00 0.84 C ATOM 993 C GLU A 62 6.557 12.452 -3.227 1.00 0.80 C ATOM 994 O GLU A 62 6.080 11.937 -4.246 1.00 0.72 O ATOM 995 CB GLU A 62 5.854 14.377 -1.737 1.00 0.93 C ATOM 996 CG GLU A 62 6.798 14.785 -0.600 1.00 1.34 C ATOM 997 CD GLU A 62 7.653 13.650 -0.063 1.00 1.60 C ATOM 998 OE1 GLU A 62 7.110 12.744 0.597 1.00 2.12 O ATOM 999 OE2 GLU A 62 8.881 13.652 -0.310 1.00 1.91 O ATOM 0 H GLU A 62 5.003 14.934 -3.999 1.00 0.77 H new ATOM 0 HA GLU A 62 7.602 14.301 -2.950 1.00 0.84 H new ATOM 0 HB2 GLU A 62 5.182 15.208 -1.952 1.00 0.93 H new ATOM 0 HB3 GLU A 62 5.235 13.546 -1.399 1.00 0.93 H new ATOM 0 HG2 GLU A 62 7.452 15.582 -0.954 1.00 1.34 H new ATOM 0 HG3 GLU A 62 6.207 15.198 0.217 1.00 1.34 H new ATOM 1006 N HIS A 63 6.965 11.786 -2.171 1.00 1.08 N ATOM 1007 CA HIS A 63 7.458 10.414 -2.146 1.00 1.14 C ATOM 1008 C HIS A 63 6.864 9.456 -3.184 1.00 1.07 C ATOM 1009 O HIS A 63 5.650 9.380 -3.387 1.00 1.50 O ATOM 1010 CB HIS A 63 7.169 9.858 -0.758 1.00 1.70 C ATOM 1011 CG HIS A 63 5.710 9.626 -0.514 1.00 2.03 C ATOM 1012 ND1 HIS A 63 5.208 8.426 -0.069 1.00 2.45 N ATOM 1013 CD2 HIS A 63 4.640 10.443 -0.699 1.00 2.16 C ATOM 1014 CE1 HIS A 63 3.896 8.507 0.011 1.00 2.84 C ATOM 1015 NE2 HIS A 63 3.530 9.714 -0.363 1.00 2.67 N ATOM 0 H HIS A 63 6.964 12.209 -1.243 1.00 1.08 H new ATOM 0 HA HIS A 63 8.517 10.471 -2.397 1.00 1.14 H new ATOM 0 HB2 HIS A 63 7.707 8.919 -0.629 1.00 1.70 H new ATOM 0 HB3 HIS A 63 7.552 10.550 -0.008 1.00 1.70 H new ATOM 0 HD2 HIS A 63 4.661 11.466 -1.043 1.00 2.16 H new ATOM 0 HE1 HIS A 63 3.233 7.716 0.330 1.00 2.84 H new ATOM 0 HE2 HIS A 63 2.569 10.054 -0.397 1.00 2.67 H new ATOM 1024 N THR A 64 7.758 8.714 -3.822 1.00 0.86 N ATOM 1025 CA THR A 64 7.376 7.541 -4.578 1.00 1.00 C ATOM 1026 C THR A 64 7.129 6.390 -3.603 1.00 1.30 C ATOM 1027 O THR A 64 7.990 6.070 -2.781 1.00 2.19 O ATOM 1028 CB THR A 64 8.463 7.153 -5.611 1.00 1.50 C ATOM 1029 OG1 THR A 64 8.120 5.924 -6.268 1.00 2.32 O ATOM 1030 CG2 THR A 64 9.836 7.028 -4.951 1.00 1.99 C ATOM 0 H THR A 64 8.759 8.910 -3.828 1.00 0.86 H new ATOM 0 HA THR A 64 6.466 7.759 -5.137 1.00 1.00 H new ATOM 0 HB THR A 64 8.512 7.950 -6.353 1.00 1.50 H new ATOM 0 HG1 THR A 64 8.817 5.695 -6.918 1.00 2.32 H new ATOM 0 HG21 THR A 64 10.577 6.755 -5.702 1.00 1.99 H new ATOM 0 HG22 THR A 64 10.111 7.981 -4.500 1.00 1.99 H new ATOM 0 HG23 THR A 64 9.800 6.259 -4.180 1.00 1.99 H new ATOM 1038 N PHE A 65 5.950 5.790 -3.661 1.00 1.60 N ATOM 1039 CA PHE A 65 5.576 4.785 -2.673 1.00 2.46 C ATOM 1040 C PHE A 65 5.300 3.427 -3.324 1.00 2.10 C ATOM 1041 O PHE A 65 4.770 2.519 -2.688 1.00 2.82 O ATOM 1042 CB PHE A 65 4.353 5.270 -1.881 1.00 3.54 C ATOM 1043 CG PHE A 65 4.187 4.614 -0.537 1.00 4.43 C ATOM 1044 CD1 PHE A 65 5.052 4.896 0.507 1.00 5.05 C ATOM 1045 CD2 PHE A 65 3.167 3.698 -0.325 1.00 4.94 C ATOM 1046 CE1 PHE A 65 4.903 4.283 1.736 1.00 6.14 C ATOM 1047 CE2 PHE A 65 3.015 3.080 0.902 1.00 6.01 C ATOM 1048 CZ PHE A 65 3.870 3.426 1.957 1.00 6.59 C ATOM 0 H PHE A 65 5.242 5.977 -4.371 1.00 1.60 H new ATOM 0 HA PHE A 65 6.414 4.648 -1.990 1.00 2.46 H new ATOM 0 HB2 PHE A 65 4.430 6.348 -1.739 1.00 3.54 H new ATOM 0 HB3 PHE A 65 3.456 5.090 -2.474 1.00 3.54 H new ATOM 0 HD1 PHE A 65 5.854 5.604 0.358 1.00 5.05 H new ATOM 0 HD2 PHE A 65 2.484 3.465 -1.128 1.00 4.94 H new ATOM 0 HE1 PHE A 65 5.611 4.485 2.526 1.00 6.14 H new ATOM 0 HE2 PHE A 65 2.244 2.337 1.046 1.00 6.01 H new ATOM 0 HZ PHE A 65 3.709 3.014 2.942 1.00 6.59 H new ATOM 1058 N GLY A 66 5.673 3.278 -4.592 1.00 1.21 N ATOM 1059 CA GLY A 66 5.529 1.987 -5.232 1.00 0.92 C ATOM 1060 C GLY A 66 5.659 2.032 -6.741 1.00 0.77 C ATOM 1061 O GLY A 66 5.227 2.991 -7.385 1.00 0.92 O ATOM 0 H GLY A 66 6.066 4.015 -5.177 1.00 1.21 H new ATOM 0 HA2 GLY A 66 6.282 1.308 -4.832 1.00 0.92 H new ATOM 0 HA3 GLY A 66 4.555 1.571 -4.973 1.00 0.92 H new ATOM 1065 N LEU A 67 6.259 0.984 -7.298 1.00 0.64 N ATOM 1066 CA LEU A 67 6.338 0.807 -8.748 1.00 0.66 C ATOM 1067 C LEU A 67 5.344 -0.269 -9.166 1.00 0.52 C ATOM 1068 O LEU A 67 5.608 -1.459 -9.022 1.00 0.56 O ATOM 1069 CB LEU A 67 7.762 0.427 -9.215 1.00 0.80 C ATOM 1070 CG LEU A 67 8.417 -0.772 -8.502 1.00 0.73 C ATOM 1071 CD1 LEU A 67 9.375 -1.511 -9.427 1.00 1.06 C ATOM 1072 CD2 LEU A 67 9.171 -0.311 -7.275 1.00 1.09 C ATOM 0 H LEU A 67 6.702 0.237 -6.763 1.00 0.64 H new ATOM 0 HA LEU A 67 6.093 1.757 -9.222 1.00 0.66 H new ATOM 0 HB2 LEU A 67 7.726 0.212 -10.283 1.00 0.80 H new ATOM 0 HB3 LEU A 67 8.408 1.296 -9.086 1.00 0.80 H new ATOM 0 HG LEU A 67 7.618 -1.452 -8.208 1.00 0.73 H new ATOM 0 HD11 LEU A 67 9.820 -2.351 -8.894 1.00 1.06 H new ATOM 0 HD12 LEU A 67 8.830 -1.880 -10.296 1.00 1.06 H new ATOM 0 HD13 LEU A 67 10.162 -0.831 -9.755 1.00 1.06 H new ATOM 0 HD21 LEU A 67 9.627 -1.171 -6.784 1.00 1.09 H new ATOM 0 HD22 LEU A 67 9.949 0.394 -7.569 1.00 1.09 H new ATOM 0 HD23 LEU A 67 8.481 0.177 -6.586 1.00 1.09 H new ATOM 1084 N ILE A 68 4.185 0.144 -9.651 1.00 0.45 N ATOM 1085 CA ILE A 68 3.123 -0.804 -9.936 1.00 0.41 C ATOM 1086 C ILE A 68 3.396 -1.567 -11.228 1.00 0.42 C ATOM 1087 O ILE A 68 3.759 -0.990 -12.255 1.00 0.50 O ATOM 1088 CB ILE A 68 1.737 -0.124 -10.005 1.00 0.48 C ATOM 1089 CG1 ILE A 68 1.470 0.673 -8.725 1.00 0.49 C ATOM 1090 CG2 ILE A 68 0.647 -1.161 -10.204 1.00 0.63 C ATOM 1091 CD1 ILE A 68 0.160 1.433 -8.741 1.00 0.59 C ATOM 0 H ILE A 68 3.958 1.118 -9.853 1.00 0.45 H new ATOM 0 HA ILE A 68 3.107 -1.511 -9.106 1.00 0.41 H new ATOM 0 HB ILE A 68 1.732 0.559 -10.854 1.00 0.48 H new ATOM 0 HG12 ILE A 68 1.473 -0.010 -7.875 1.00 0.49 H new ATOM 0 HG13 ILE A 68 2.287 1.378 -8.570 1.00 0.49 H new ATOM 0 HG21 ILE A 68 -0.323 -0.665 -10.250 1.00 0.63 H new ATOM 0 HG22 ILE A 68 0.824 -1.701 -11.134 1.00 0.63 H new ATOM 0 HG23 ILE A 68 0.656 -1.863 -9.370 1.00 0.63 H new ATOM 0 HD11 ILE A 68 0.041 1.973 -7.802 1.00 0.59 H new ATOM 0 HD12 ILE A 68 0.161 2.142 -9.569 1.00 0.59 H new ATOM 0 HD13 ILE A 68 -0.666 0.732 -8.864 1.00 0.59 H new ATOM 1103 N ARG A 69 3.231 -2.872 -11.143 1.00 0.42 N ATOM 1104 CA ARG A 69 3.481 -3.783 -12.247 1.00 0.48 C ATOM 1105 C ARG A 69 2.167 -4.113 -12.946 1.00 0.44 C ATOM 1106 O ARG A 69 2.139 -4.460 -14.125 1.00 0.53 O ATOM 1107 CB ARG A 69 4.103 -5.071 -11.703 1.00 0.59 C ATOM 1108 CG ARG A 69 5.065 -4.838 -10.545 1.00 1.09 C ATOM 1109 CD ARG A 69 6.375 -4.234 -11.010 1.00 0.55 C ATOM 1110 NE ARG A 69 7.238 -5.237 -11.630 1.00 1.19 N ATOM 1111 CZ ARG A 69 8.079 -4.988 -12.631 1.00 1.41 C ATOM 1112 NH1 ARG A 69 8.159 -3.767 -13.150 1.00 1.67 N ATOM 1113 NH2 ARG A 69 8.834 -5.960 -13.120 1.00 2.16 N ATOM 0 H ARG A 69 2.915 -3.338 -10.293 1.00 0.42 H new ATOM 0 HA ARG A 69 4.161 -3.316 -12.959 1.00 0.48 H new ATOM 0 HB2 ARG A 69 3.307 -5.739 -11.375 1.00 0.59 H new ATOM 0 HB3 ARG A 69 4.633 -5.578 -12.509 1.00 0.59 H new ATOM 0 HG2 ARG A 69 4.600 -4.177 -9.814 1.00 1.09 H new ATOM 0 HG3 ARG A 69 5.261 -5.784 -10.040 1.00 1.09 H new ATOM 0 HD2 ARG A 69 6.175 -3.434 -11.723 1.00 0.55 H new ATOM 0 HD3 ARG A 69 6.890 -3.784 -10.162 1.00 0.55 H new ATOM 0 HE ARG A 69 7.193 -6.191 -11.272 1.00 1.19 H new ATOM 0 HH11 ARG A 69 7.575 -3.017 -12.781 1.00 1.67 H new ATOM 0 HH12 ARG A 69 8.805 -3.580 -13.917 1.00 1.67 H new ATOM 0 HH21 ARG A 69 8.771 -6.900 -12.729 1.00 2.16 H new ATOM 0 HH22 ARG A 69 9.478 -5.768 -13.887 1.00 2.16 H new ATOM 1127 N LYS A 70 1.078 -3.992 -12.198 1.00 0.37 N ATOM 1128 CA LYS A 70 -0.239 -4.361 -12.682 1.00 0.37 C ATOM 1129 C LYS A 70 -1.299 -3.554 -11.961 1.00 0.35 C ATOM 1130 O LYS A 70 -1.457 -3.665 -10.744 1.00 0.37 O ATOM 1131 CB LYS A 70 -0.489 -5.860 -12.479 1.00 0.44 C ATOM 1132 CG LYS A 70 -1.961 -6.252 -12.494 1.00 0.45 C ATOM 1133 CD LYS A 70 -2.148 -7.756 -12.347 1.00 0.64 C ATOM 1134 CE LYS A 70 -1.870 -8.491 -13.648 1.00 1.01 C ATOM 1135 NZ LYS A 70 -3.021 -8.415 -14.588 1.00 1.20 N ATOM 0 H LYS A 70 1.086 -3.636 -11.242 1.00 0.37 H new ATOM 0 HA LYS A 70 -0.290 -4.145 -13.749 1.00 0.37 H new ATOM 0 HB2 LYS A 70 0.031 -6.413 -13.261 1.00 0.44 H new ATOM 0 HB3 LYS A 70 -0.052 -6.165 -11.528 1.00 0.44 H new ATOM 0 HG2 LYS A 70 -2.482 -5.740 -11.684 1.00 0.45 H new ATOM 0 HG3 LYS A 70 -2.416 -5.919 -13.427 1.00 0.45 H new ATOM 0 HD2 LYS A 70 -1.483 -8.130 -11.569 1.00 0.64 H new ATOM 0 HD3 LYS A 70 -3.167 -7.965 -12.022 1.00 0.64 H new ATOM 0 HE2 LYS A 70 -0.986 -8.066 -14.123 1.00 1.01 H new ATOM 0 HE3 LYS A 70 -1.646 -9.536 -13.433 1.00 1.01 H new ATOM 0 HZ1 LYS A 70 -2.672 -8.225 -15.549 1.00 1.20 H new ATOM 0 HZ2 LYS A 70 -3.537 -9.318 -14.579 1.00 1.20 H new ATOM 0 HZ3 LYS A 70 -3.659 -7.649 -14.294 1.00 1.20 H new ATOM 1149 N VAL A 71 -2.001 -2.731 -12.712 1.00 0.36 N ATOM 1150 CA VAL A 71 -3.081 -1.933 -12.166 1.00 0.39 C ATOM 1151 C VAL A 71 -4.396 -2.487 -12.699 1.00 0.37 C ATOM 1152 O VAL A 71 -4.942 -1.978 -13.676 1.00 0.44 O ATOM 1153 CB VAL A 71 -2.941 -0.438 -12.560 1.00 0.51 C ATOM 1154 CG1 VAL A 71 -3.747 0.442 -11.631 1.00 0.87 C ATOM 1155 CG2 VAL A 71 -1.486 0.009 -12.569 1.00 0.86 C ATOM 0 H VAL A 71 -1.842 -2.596 -13.710 1.00 0.36 H new ATOM 0 HA VAL A 71 -3.050 -1.987 -11.078 1.00 0.39 H new ATOM 0 HB VAL A 71 -3.332 -0.335 -13.572 1.00 0.51 H new ATOM 0 HG11 VAL A 71 -3.633 1.485 -11.927 1.00 0.87 H new ATOM 0 HG12 VAL A 71 -4.799 0.162 -11.686 1.00 0.87 H new ATOM 0 HG13 VAL A 71 -3.391 0.314 -10.609 1.00 0.87 H new ATOM 0 HG21 VAL A 71 -1.430 1.061 -12.850 1.00 0.86 H new ATOM 0 HG22 VAL A 71 -1.058 -0.125 -11.575 1.00 0.86 H new ATOM 0 HG23 VAL A 71 -0.926 -0.589 -13.289 1.00 0.86 H new ATOM 1165 N ASP A 72 -4.886 -3.562 -12.081 1.00 0.34 N ATOM 1166 CA ASP A 72 -6.003 -4.304 -12.648 1.00 0.34 C ATOM 1167 C ASP A 72 -7.312 -3.966 -11.950 1.00 0.34 C ATOM 1168 O ASP A 72 -7.905 -4.830 -11.306 1.00 0.35 O ATOM 1169 CB ASP A 72 -5.734 -5.807 -12.556 1.00 0.39 C ATOM 1170 CG ASP A 72 -6.151 -6.555 -13.806 1.00 0.85 C ATOM 1171 OD1 ASP A 72 -7.332 -6.952 -13.909 1.00 1.22 O ATOM 1172 OD2 ASP A 72 -5.288 -6.768 -14.690 1.00 1.30 O ATOM 0 H ASP A 72 -4.530 -3.932 -11.199 1.00 0.34 H new ATOM 0 HA ASP A 72 -6.098 -4.015 -13.695 1.00 0.34 H new ATOM 0 HB2 ASP A 72 -4.671 -5.971 -12.377 1.00 0.39 H new ATOM 0 HB3 ASP A 72 -6.268 -6.215 -11.698 1.00 0.39 H new ATOM 1177 N GLU A 73 -7.721 -2.693 -12.069 1.00 0.37 N ATOM 1178 CA GLU A 73 -9.015 -2.188 -11.564 1.00 0.39 C ATOM 1179 C GLU A 73 -9.280 -2.627 -10.104 1.00 0.34 C ATOM 1180 O GLU A 73 -8.361 -3.077 -9.415 1.00 0.32 O ATOM 1181 CB GLU A 73 -10.152 -2.632 -12.512 1.00 0.49 C ATOM 1182 CG GLU A 73 -10.517 -4.106 -12.429 1.00 0.55 C ATOM 1183 CD GLU A 73 -11.686 -4.466 -13.315 1.00 0.81 C ATOM 1184 OE1 GLU A 73 -12.837 -4.159 -12.942 1.00 1.12 O ATOM 1185 OE2 GLU A 73 -11.463 -5.061 -14.390 1.00 0.92 O ATOM 0 H GLU A 73 -7.158 -1.974 -12.524 1.00 0.37 H new ATOM 0 HA GLU A 73 -8.977 -1.099 -11.550 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.040 -2.040 -12.292 1.00 0.49 H new ATOM 0 HB3 GLU A 73 -9.861 -2.402 -13.537 1.00 0.49 H new ATOM 0 HG2 GLU A 73 -9.653 -4.707 -12.712 1.00 0.55 H new ATOM 0 HG3 GLU A 73 -10.757 -4.359 -11.396 1.00 0.55 H new ATOM 1192 N PRO A 74 -10.504 -2.414 -9.561 1.00 0.37 N ATOM 1193 CA PRO A 74 -10.915 -3.059 -8.310 1.00 0.41 C ATOM 1194 C PRO A 74 -10.896 -4.578 -8.440 1.00 0.45 C ATOM 1195 O PRO A 74 -11.917 -5.204 -8.729 1.00 0.76 O ATOM 1196 CB PRO A 74 -12.343 -2.558 -8.081 1.00 0.47 C ATOM 1197 CG PRO A 74 -12.433 -1.297 -8.864 1.00 0.44 C ATOM 1198 CD PRO A 74 -11.542 -1.490 -10.057 1.00 0.44 C ATOM 0 HA PRO A 74 -10.245 -2.819 -7.484 1.00 0.41 H new ATOM 0 HB2 PRO A 74 -13.078 -3.288 -8.421 1.00 0.47 H new ATOM 0 HB3 PRO A 74 -12.535 -2.381 -7.023 1.00 0.47 H new ATOM 0 HG2 PRO A 74 -13.460 -1.100 -9.171 1.00 0.44 H new ATOM 0 HG3 PRO A 74 -12.109 -0.443 -8.269 1.00 0.44 H new ATOM 0 HD2 PRO A 74 -12.087 -1.913 -10.901 1.00 0.44 H new ATOM 0 HD3 PRO A 74 -11.113 -0.547 -10.395 1.00 0.44 H new ATOM 1206 N ASP A 75 -9.719 -5.147 -8.241 1.00 0.35 N ATOM 1207 CA ASP A 75 -9.483 -6.573 -8.432 1.00 0.33 C ATOM 1208 C ASP A 75 -8.085 -6.928 -7.953 1.00 0.30 C ATOM 1209 O ASP A 75 -7.921 -7.582 -6.924 1.00 0.35 O ATOM 1210 CB ASP A 75 -9.617 -6.957 -9.908 1.00 0.37 C ATOM 1211 CG ASP A 75 -9.584 -8.456 -10.139 1.00 0.67 C ATOM 1212 OD1 ASP A 75 -8.476 -9.033 -10.213 1.00 1.12 O ATOM 1213 OD2 ASP A 75 -10.667 -9.073 -10.215 1.00 0.67 O ATOM 0 H ASP A 75 -8.892 -4.631 -7.940 1.00 0.35 H new ATOM 0 HA ASP A 75 -10.228 -7.122 -7.856 1.00 0.33 H new ATOM 0 HB2 ASP A 75 -10.553 -6.556 -10.298 1.00 0.37 H new ATOM 0 HB3 ASP A 75 -8.810 -6.491 -10.473 1.00 0.37 H new ATOM 1218 N THR A 76 -7.071 -6.473 -8.689 1.00 0.28 N ATOM 1219 CA THR A 76 -5.697 -6.807 -8.359 1.00 0.27 C ATOM 1220 C THR A 76 -4.727 -5.662 -8.606 1.00 0.29 C ATOM 1221 O THR A 76 -4.869 -4.896 -9.560 1.00 0.42 O ATOM 1222 CB THR A 76 -5.226 -8.031 -9.150 1.00 0.28 C ATOM 1223 OG1 THR A 76 -5.983 -8.162 -10.360 1.00 0.31 O ATOM 1224 CG2 THR A 76 -5.365 -9.288 -8.309 1.00 0.29 C ATOM 0 H THR A 76 -7.179 -5.877 -9.510 1.00 0.28 H new ATOM 0 HA THR A 76 -5.696 -7.024 -7.291 1.00 0.27 H new ATOM 0 HB THR A 76 -4.175 -7.895 -9.406 1.00 0.28 H new ATOM 0 HG1 THR A 76 -6.753 -8.747 -10.202 1.00 0.31 H new ATOM 0 HG21 THR A 76 -5.027 -10.150 -8.884 1.00 0.29 H new ATOM 0 HG22 THR A 76 -4.759 -9.192 -7.408 1.00 0.29 H new ATOM 0 HG23 THR A 76 -6.410 -9.426 -8.030 1.00 0.29 H new ATOM 1232 N LEU A 77 -3.735 -5.557 -7.733 1.00 0.23 N ATOM 1233 CA LEU A 77 -2.698 -4.548 -7.867 1.00 0.24 C ATOM 1234 C LEU A 77 -1.341 -5.155 -7.541 1.00 0.26 C ATOM 1235 O LEU A 77 -1.052 -5.455 -6.391 1.00 0.36 O ATOM 1236 CB LEU A 77 -2.946 -3.358 -6.927 1.00 0.26 C ATOM 1237 CG LEU A 77 -4.303 -2.654 -7.054 1.00 0.27 C ATOM 1238 CD1 LEU A 77 -5.384 -3.391 -6.277 1.00 0.88 C ATOM 1239 CD2 LEU A 77 -4.196 -1.224 -6.570 1.00 0.70 C ATOM 0 H LEU A 77 -3.628 -6.163 -6.920 1.00 0.23 H new ATOM 0 HA LEU A 77 -2.717 -4.191 -8.897 1.00 0.24 H new ATOM 0 HB2 LEU A 77 -2.838 -3.707 -5.900 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -2.162 -2.620 -7.097 1.00 0.26 H new ATOM 0 HG LEU A 77 -4.585 -2.656 -8.107 1.00 0.27 H new ATOM 0 HD11 LEU A 77 -6.333 -2.867 -6.387 1.00 0.88 H new ATOM 0 HD12 LEU A 77 -5.483 -4.405 -6.664 1.00 0.88 H new ATOM 0 HD13 LEU A 77 -5.112 -3.430 -5.222 1.00 0.88 H new ATOM 0 HD21 LEU A 77 -5.165 -0.734 -6.665 1.00 0.70 H new ATOM 0 HD22 LEU A 77 -3.886 -1.216 -5.525 1.00 0.70 H new ATOM 0 HD23 LEU A 77 -3.460 -0.691 -7.171 1.00 0.70 H new ATOM 1251 N VAL A 78 -0.515 -5.358 -8.542 1.00 0.33 N ATOM 1252 CA VAL A 78 0.833 -5.844 -8.296 1.00 0.37 C ATOM 1253 C VAL A 78 1.770 -4.652 -8.234 1.00 0.37 C ATOM 1254 O VAL A 78 1.912 -3.935 -9.217 1.00 0.42 O ATOM 1255 CB VAL A 78 1.307 -6.821 -9.392 1.00 0.48 C ATOM 1256 CG1 VAL A 78 2.682 -7.386 -9.063 1.00 0.80 C ATOM 1257 CG2 VAL A 78 0.298 -7.940 -9.584 1.00 0.86 C ATOM 0 H VAL A 78 -0.744 -5.198 -9.523 1.00 0.33 H new ATOM 0 HA VAL A 78 0.836 -6.391 -7.353 1.00 0.37 H new ATOM 0 HB VAL A 78 1.387 -6.266 -10.327 1.00 0.48 H new ATOM 0 HG11 VAL A 78 2.992 -8.072 -9.852 1.00 0.80 H new ATOM 0 HG12 VAL A 78 3.402 -6.571 -8.987 1.00 0.80 H new ATOM 0 HG13 VAL A 78 2.638 -7.921 -8.114 1.00 0.80 H new ATOM 0 HG21 VAL A 78 0.650 -8.618 -10.361 1.00 0.86 H new ATOM 0 HG22 VAL A 78 0.181 -8.488 -8.649 1.00 0.86 H new ATOM 0 HG23 VAL A 78 -0.662 -7.517 -9.880 1.00 0.86 H new ATOM 1267 N ILE A 79 2.381 -4.408 -7.081 1.00 0.36 N ATOM 1268 CA ILE A 79 3.215 -3.217 -6.914 1.00 0.43 C ATOM 1269 C ILE A 79 4.599 -3.579 -6.389 1.00 0.46 C ATOM 1270 O ILE A 79 4.792 -4.653 -5.812 1.00 0.52 O ATOM 1271 CB ILE A 79 2.583 -2.161 -5.972 1.00 0.49 C ATOM 1272 CG1 ILE A 79 2.875 -2.483 -4.509 1.00 0.62 C ATOM 1273 CG2 ILE A 79 1.080 -2.081 -6.193 1.00 0.91 C ATOM 1274 CD1 ILE A 79 3.260 -1.270 -3.692 1.00 0.97 C ATOM 0 H ILE A 79 2.319 -5.007 -6.257 1.00 0.36 H new ATOM 0 HA ILE A 79 3.297 -2.778 -7.908 1.00 0.43 H new ATOM 0 HB ILE A 79 3.030 -1.195 -6.208 1.00 0.49 H new ATOM 0 HG12 ILE A 79 1.995 -2.947 -4.064 1.00 0.62 H new ATOM 0 HG13 ILE A 79 3.681 -3.216 -4.460 1.00 0.62 H new ATOM 0 HG21 ILE A 79 0.653 -1.335 -5.523 1.00 0.91 H new ATOM 0 HG22 ILE A 79 0.879 -1.799 -7.226 1.00 0.91 H new ATOM 0 HG23 ILE A 79 0.630 -3.052 -5.988 1.00 0.91 H new ATOM 0 HD11 ILE A 79 3.454 -1.571 -2.662 1.00 0.97 H new ATOM 0 HD12 ILE A 79 4.158 -0.818 -4.113 1.00 0.97 H new ATOM 0 HD13 ILE A 79 2.446 -0.545 -3.711 1.00 0.97 H new ATOM 1286 N GLY A 80 5.556 -2.693 -6.629 1.00 0.49 N ATOM 1287 CA GLY A 80 6.896 -2.873 -6.116 1.00 0.54 C ATOM 1288 C GLY A 80 7.245 -1.874 -5.022 1.00 0.53 C ATOM 1289 O GLY A 80 6.529 -0.895 -4.809 1.00 0.59 O ATOM 0 H GLY A 80 5.423 -1.843 -7.177 1.00 0.49 H new ATOM 0 HA2 GLY A 80 6.998 -3.885 -5.724 1.00 0.54 H new ATOM 0 HA3 GLY A 80 7.610 -2.774 -6.934 1.00 0.54 H new ATOM 1293 N TRP A 81 8.377 -2.118 -4.382 1.00 0.69 N ATOM 1294 CA TRP A 81 8.838 -1.370 -3.217 1.00 0.78 C ATOM 1295 C TRP A 81 9.148 0.096 -3.500 1.00 0.60 C ATOM 1296 O TRP A 81 9.786 0.434 -4.495 1.00 0.86 O ATOM 1297 CB TRP A 81 10.101 -2.023 -2.655 1.00 1.29 C ATOM 1298 CG TRP A 81 10.696 -1.250 -1.521 1.00 1.56 C ATOM 1299 CD1 TRP A 81 11.671 -0.295 -1.595 1.00 1.12 C ATOM 1300 CD2 TRP A 81 10.336 -1.356 -0.148 1.00 2.62 C ATOM 1301 NE1 TRP A 81 11.931 0.206 -0.344 1.00 1.61 N ATOM 1302 CE2 TRP A 81 11.127 -0.436 0.563 1.00 2.59 C ATOM 1303 CE3 TRP A 81 9.417 -2.143 0.552 1.00 3.68 C ATOM 1304 CZ2 TRP A 81 11.025 -0.285 1.939 1.00 3.57 C ATOM 1305 CZ3 TRP A 81 9.320 -1.988 1.919 1.00 4.67 C ATOM 1306 CH2 TRP A 81 10.119 -1.064 2.597 1.00 4.60 C ATOM 0 H TRP A 81 9.019 -2.859 -4.663 1.00 0.69 H new ATOM 0 HA TRP A 81 8.013 -1.395 -2.505 1.00 0.78 H new ATOM 0 HB2 TRP A 81 9.864 -3.032 -2.317 1.00 1.29 H new ATOM 0 HB3 TRP A 81 10.840 -2.119 -3.451 1.00 1.29 H new ATOM 0 HD1 TRP A 81 12.164 0.019 -2.503 1.00 1.12 H new ATOM 0 HE1 TRP A 81 12.610 0.935 -0.125 1.00 1.61 H new ATOM 0 HE3 TRP A 81 8.796 -2.858 0.033 1.00 3.68 H new ATOM 0 HZ2 TRP A 81 11.642 0.425 2.470 1.00 3.57 H new ATOM 0 HZ3 TRP A 81 8.616 -2.590 2.474 1.00 4.67 H new ATOM 0 HH2 TRP A 81 10.017 -0.964 3.668 1.00 4.60 H new ATOM 1317 N ARG A 82 8.747 0.929 -2.554 1.00 0.68 N ATOM 1318 CA ARG A 82 9.072 2.342 -2.507 1.00 0.97 C ATOM 1319 C ARG A 82 8.451 2.886 -1.226 1.00 1.08 C ATOM 1320 O ARG A 82 7.435 2.368 -0.770 1.00 1.77 O ATOM 1321 CB ARG A 82 8.555 3.096 -3.735 1.00 1.40 C ATOM 1322 CG ARG A 82 9.646 3.703 -4.607 1.00 2.24 C ATOM 1323 CD ARG A 82 9.764 2.984 -5.943 1.00 3.31 C ATOM 1324 NE ARG A 82 10.720 3.631 -6.844 1.00 4.24 N ATOM 1325 CZ ARG A 82 11.586 2.971 -7.615 1.00 5.33 C ATOM 1326 NH1 ARG A 82 11.647 1.646 -7.565 1.00 5.72 N ATOM 1327 NH2 ARG A 82 12.390 3.634 -8.433 1.00 6.31 N ATOM 0 H ARG A 82 8.166 0.628 -1.771 1.00 0.68 H new ATOM 0 HA ARG A 82 10.153 2.481 -2.514 1.00 0.97 H new ATOM 0 HB2 ARG A 82 7.960 2.413 -4.342 1.00 1.40 H new ATOM 0 HB3 ARG A 82 7.888 3.891 -3.403 1.00 1.40 H new ATOM 0 HG2 ARG A 82 9.430 4.757 -4.779 1.00 2.24 H new ATOM 0 HG3 ARG A 82 10.600 3.655 -4.082 1.00 2.24 H new ATOM 0 HD2 ARG A 82 10.072 1.953 -5.771 1.00 3.31 H new ATOM 0 HD3 ARG A 82 8.785 2.949 -6.421 1.00 3.31 H new ATOM 0 HE ARG A 82 10.724 4.650 -6.885 1.00 4.24 H new ATOM 0 HH11 ARG A 82 11.031 1.130 -6.936 1.00 5.72 H new ATOM 0 HH12 ARG A 82 12.310 1.143 -8.155 1.00 5.72 H new ATOM 0 HH21 ARG A 82 12.348 4.652 -8.475 1.00 6.31 H new ATOM 0 HH22 ARG A 82 13.051 3.126 -9.021 1.00 6.31 H new ATOM 1341 N LEU A 83 9.058 3.896 -0.637 1.00 0.98 N ATOM 1342 CA LEU A 83 8.668 4.323 0.703 1.00 1.04 C ATOM 1343 C LEU A 83 8.632 5.852 0.843 1.00 0.87 C ATOM 1344 O LEU A 83 8.550 6.573 -0.149 1.00 1.06 O ATOM 1345 CB LEU A 83 9.592 3.662 1.745 1.00 1.35 C ATOM 1346 CG LEU A 83 11.046 3.433 1.318 1.00 1.40 C ATOM 1347 CD1 LEU A 83 11.695 4.707 0.813 1.00 1.83 C ATOM 1348 CD2 LEU A 83 11.844 2.881 2.482 1.00 1.78 C ATOM 0 H LEU A 83 9.816 4.435 -1.055 1.00 0.98 H new ATOM 0 HA LEU A 83 7.646 3.991 0.886 1.00 1.04 H new ATOM 0 HB2 LEU A 83 9.593 4.281 2.642 1.00 1.35 H new ATOM 0 HB3 LEU A 83 9.162 2.700 2.022 1.00 1.35 H new ATOM 0 HG LEU A 83 11.039 2.715 0.498 1.00 1.40 H new ATOM 0 HD11 LEU A 83 12.725 4.500 0.521 1.00 1.83 H new ATOM 0 HD12 LEU A 83 11.142 5.080 -0.049 1.00 1.83 H new ATOM 0 HD13 LEU A 83 11.686 5.458 1.603 1.00 1.83 H new ATOM 0 HD21 LEU A 83 12.877 2.721 2.172 1.00 1.78 H new ATOM 0 HD22 LEU A 83 11.820 3.591 3.309 1.00 1.78 H new ATOM 0 HD23 LEU A 83 11.411 1.934 2.804 1.00 1.78 H new ATOM 1360 N ASN A 84 8.696 6.349 2.076 1.00 1.09 N ATOM 1361 CA ASN A 84 8.424 7.751 2.355 1.00 1.23 C ATOM 1362 C ASN A 84 9.710 8.552 2.389 1.00 1.77 C ATOM 1363 O ASN A 84 10.782 7.994 2.597 1.00 2.41 O ATOM 1364 CB ASN A 84 7.694 7.893 3.699 1.00 1.48 C ATOM 1365 CG ASN A 84 6.292 7.314 3.676 1.00 1.49 C ATOM 1366 OD1 ASN A 84 5.861 6.752 4.801 1.00 2.35 O flip ATOM 1367 ND2 ASN A 84 5.611 7.359 2.653 1.00 1.34 N flip ATOM 0 H ASN A 84 8.935 5.796 2.899 1.00 1.09 H new ATOM 0 HA ASN A 84 7.790 8.138 1.557 1.00 1.23 H new ATOM 0 HB2 ASN A 84 8.274 7.395 4.476 1.00 1.48 H new ATOM 0 HB3 ASN A 84 7.641 8.948 3.968 1.00 1.48 H new ATOM 0 HD21 ASN A 84 5.983 7.801 1.812 1.00 1.34 H new ATOM 0 HD22 ASN A 84 4.675 6.955 2.646 1.00 1.34 H new ATOM 1374 N GLY A 85 9.604 9.862 2.180 1.00 2.31 N ATOM 1375 CA GLY A 85 10.760 10.735 2.311 1.00 3.10 C ATOM 1376 C GLY A 85 11.168 10.896 3.762 1.00 3.04 C ATOM 1377 O GLY A 85 10.977 11.953 4.357 1.00 3.66 O ATOM 0 H GLY A 85 8.738 10.335 1.922 1.00 2.31 H new ATOM 0 HA2 GLY A 85 11.594 10.326 1.740 1.00 3.10 H new ATOM 0 HA3 GLY A 85 10.531 11.712 1.885 1.00 3.10 H new ATOM 1381 N PHE A 86 11.702 9.829 4.327 1.00 2.67 N ATOM 1382 CA PHE A 86 12.060 9.778 5.734 1.00 3.18 C ATOM 1383 C PHE A 86 13.488 9.243 5.848 1.00 3.14 C ATOM 1384 O PHE A 86 14.273 9.391 4.912 1.00 3.52 O ATOM 1385 CB PHE A 86 11.060 8.862 6.457 1.00 3.75 C ATOM 1386 CG PHE A 86 10.965 9.067 7.945 1.00 4.51 C ATOM 1387 CD1 PHE A 86 10.499 10.266 8.464 1.00 5.23 C ATOM 1388 CD2 PHE A 86 11.364 8.071 8.822 1.00 4.81 C ATOM 1389 CE1 PHE A 86 10.425 10.464 9.828 1.00 6.14 C ATOM 1390 CE2 PHE A 86 11.296 8.267 10.189 1.00 5.70 C ATOM 1391 CZ PHE A 86 10.756 9.429 10.693 1.00 6.34 C ATOM 0 H PHE A 86 11.901 8.967 3.820 1.00 2.67 H new ATOM 0 HA PHE A 86 12.020 10.766 6.193 1.00 3.18 H new ATOM 0 HB2 PHE A 86 10.072 9.013 6.021 1.00 3.75 H new ATOM 0 HB3 PHE A 86 11.337 7.825 6.266 1.00 3.75 H new ATOM 0 HD1 PHE A 86 10.190 11.054 7.793 1.00 5.23 H new ATOM 0 HD2 PHE A 86 11.732 7.133 8.434 1.00 4.81 H new ATOM 0 HE1 PHE A 86 10.111 11.420 10.221 1.00 6.14 H new ATOM 0 HE2 PHE A 86 11.667 7.508 10.862 1.00 5.70 H new ATOM 0 HZ PHE A 86 10.591 9.535 11.755 1.00 6.34 H new ATOM 1401 N GLY A 87 13.816 8.605 6.963 1.00 3.16 N ATOM 1402 CA GLY A 87 15.128 8.003 7.124 1.00 3.41 C ATOM 1403 C GLY A 87 15.128 6.596 6.579 1.00 3.16 C ATOM 1404 O GLY A 87 15.458 5.638 7.272 1.00 3.62 O ATOM 0 H GLY A 87 13.194 8.492 7.764 1.00 3.16 H new ATOM 0 HA2 GLY A 87 15.877 8.602 6.605 1.00 3.41 H new ATOM 0 HA3 GLY A 87 15.404 7.992 8.178 1.00 3.41 H new ATOM 1408 N ARG A 88 14.754 6.489 5.320 1.00 2.59 N ATOM 1409 CA ARG A 88 14.421 5.224 4.708 1.00 2.41 C ATOM 1410 C ARG A 88 15.570 4.584 3.941 1.00 1.98 C ATOM 1411 O ARG A 88 16.637 5.171 3.770 1.00 2.15 O ATOM 1412 CB ARG A 88 13.249 5.468 3.767 1.00 2.63 C ATOM 1413 CG ARG A 88 13.394 6.714 2.888 1.00 3.46 C ATOM 1414 CD ARG A 88 14.412 6.542 1.766 1.00 4.21 C ATOM 1415 NE ARG A 88 15.630 7.324 1.988 1.00 5.06 N ATOM 1416 CZ ARG A 88 16.456 7.708 1.018 1.00 6.04 C ATOM 1417 NH1 ARG A 88 16.190 7.400 -0.247 1.00 6.34 N ATOM 1418 NH2 ARG A 88 17.543 8.404 1.323 1.00 6.97 N ATOM 0 H ARG A 88 14.673 7.287 4.689 1.00 2.59 H new ATOM 0 HA ARG A 88 14.175 4.521 5.504 1.00 2.41 H new ATOM 0 HB2 ARG A 88 13.127 4.596 3.124 1.00 2.63 H new ATOM 0 HB3 ARG A 88 12.337 5.558 4.357 1.00 2.63 H new ATOM 0 HG2 ARG A 88 12.424 6.961 2.455 1.00 3.46 H new ATOM 0 HG3 ARG A 88 13.689 7.558 3.511 1.00 3.46 H new ATOM 0 HD2 ARG A 88 14.673 5.488 1.675 1.00 4.21 H new ATOM 0 HD3 ARG A 88 13.960 6.841 0.821 1.00 4.21 H new ATOM 0 HE ARG A 88 15.859 7.591 2.945 1.00 5.06 H new ATOM 0 HH11 ARG A 88 15.351 6.868 -0.477 1.00 6.34 H new ATOM 0 HH12 ARG A 88 16.825 7.696 -0.988 1.00 6.34 H new ATOM 0 HH21 ARG A 88 17.741 8.641 2.295 1.00 6.97 H new ATOM 0 HH22 ARG A 88 18.181 8.702 0.585 1.00 6.97 H new ATOM 1432 N ILE A 89 15.330 3.353 3.509 1.00 1.65 N ATOM 1433 CA ILE A 89 16.211 2.663 2.587 1.00 1.42 C ATOM 1434 C ILE A 89 15.722 2.887 1.154 1.00 1.52 C ATOM 1435 O ILE A 89 14.537 3.137 0.934 1.00 1.89 O ATOM 1436 CB ILE A 89 16.263 1.147 2.891 1.00 1.52 C ATOM 1437 CG1 ILE A 89 17.294 0.460 1.982 1.00 1.86 C ATOM 1438 CG2 ILE A 89 14.875 0.520 2.758 1.00 1.93 C ATOM 1439 CD1 ILE A 89 16.782 -0.745 1.228 1.00 1.83 C ATOM 0 H ILE A 89 14.516 2.807 3.791 1.00 1.65 H new ATOM 0 HA ILE A 89 17.217 3.066 2.704 1.00 1.42 H new ATOM 0 HB ILE A 89 16.582 1.002 3.923 1.00 1.52 H new ATOM 0 HG12 ILE A 89 17.664 1.190 1.262 1.00 1.86 H new ATOM 0 HG13 ILE A 89 18.145 0.154 2.591 1.00 1.86 H new ATOM 0 HG21 ILE A 89 14.935 -0.546 2.976 1.00 1.93 H new ATOM 0 HG22 ILE A 89 14.192 0.996 3.461 1.00 1.93 H new ATOM 0 HG23 ILE A 89 14.507 0.662 1.742 1.00 1.93 H new ATOM 0 HD11 ILE A 89 17.583 -1.158 0.615 1.00 1.83 H new ATOM 0 HD12 ILE A 89 16.441 -1.500 1.937 1.00 1.83 H new ATOM 0 HD13 ILE A 89 15.952 -0.448 0.587 1.00 1.83 H new ATOM 1451 N ASP A 90 16.627 2.812 0.194 1.00 1.71 N ATOM 1452 CA ASP A 90 16.277 3.021 -1.202 1.00 2.21 C ATOM 1453 C ASP A 90 15.589 1.778 -1.767 1.00 1.83 C ATOM 1454 O ASP A 90 15.561 0.734 -1.115 1.00 1.30 O ATOM 1455 CB ASP A 90 17.537 3.360 -2.007 1.00 2.96 C ATOM 1456 CG ASP A 90 18.409 2.153 -2.301 1.00 3.55 C ATOM 1457 OD1 ASP A 90 19.074 1.652 -1.366 1.00 3.98 O ATOM 1458 OD2 ASP A 90 18.418 1.683 -3.459 1.00 3.94 O ATOM 0 H ASP A 90 17.613 2.607 0.355 1.00 1.71 H new ATOM 0 HA ASP A 90 15.581 3.857 -1.276 1.00 2.21 H new ATOM 0 HB2 ASP A 90 17.243 3.824 -2.948 1.00 2.96 H new ATOM 0 HB3 ASP A 90 18.123 4.097 -1.457 1.00 2.96 H new ATOM 1463 N PRO A 91 14.987 1.875 -2.963 1.00 2.41 N ATOM 1464 CA PRO A 91 14.341 0.734 -3.640 1.00 2.38 C ATOM 1465 C PRO A 91 15.328 -0.351 -4.098 1.00 1.76 C ATOM 1466 O PRO A 91 15.170 -0.929 -5.175 1.00 2.29 O ATOM 1467 CB PRO A 91 13.662 1.380 -4.853 1.00 3.19 C ATOM 1468 CG PRO A 91 13.592 2.831 -4.524 1.00 3.81 C ATOM 1469 CD PRO A 91 14.833 3.111 -3.740 1.00 3.38 C ATOM 0 HA PRO A 91 13.661 0.212 -2.967 1.00 2.38 H new ATOM 0 HB2 PRO A 91 14.235 1.209 -5.764 1.00 3.19 H new ATOM 0 HB3 PRO A 91 12.668 0.964 -5.018 1.00 3.19 H new ATOM 0 HG2 PRO A 91 13.551 3.439 -5.428 1.00 3.81 H new ATOM 0 HG3 PRO A 91 12.698 3.061 -3.944 1.00 3.81 H new ATOM 0 HD2 PRO A 91 15.691 3.297 -4.386 1.00 3.38 H new ATOM 0 HD3 PRO A 91 14.722 3.985 -3.099 1.00 3.38 H new ATOM 1477 N ASP A 92 16.302 -0.656 -3.247 1.00 1.17 N ATOM 1478 CA ASP A 92 17.306 -1.691 -3.515 1.00 1.41 C ATOM 1479 C ASP A 92 16.681 -3.083 -3.411 1.00 1.43 C ATOM 1480 O ASP A 92 17.329 -4.104 -3.649 1.00 2.17 O ATOM 1481 CB ASP A 92 18.449 -1.543 -2.497 1.00 2.00 C ATOM 1482 CG ASP A 92 19.576 -2.542 -2.682 1.00 2.69 C ATOM 1483 OD1 ASP A 92 20.386 -2.362 -3.618 1.00 3.16 O ATOM 1484 OD2 ASP A 92 19.679 -3.488 -1.867 1.00 3.16 O ATOM 0 H ASP A 92 16.422 -0.192 -2.346 1.00 1.17 H new ATOM 0 HA ASP A 92 17.694 -1.571 -4.527 1.00 1.41 H new ATOM 0 HB2 ASP A 92 18.856 -0.535 -2.568 1.00 2.00 H new ATOM 0 HB3 ASP A 92 18.042 -1.652 -1.492 1.00 2.00 H new ATOM 1489 N ASN A 93 15.401 -3.108 -3.081 1.00 1.21 N ATOM 1490 CA ASN A 93 14.717 -4.338 -2.751 1.00 1.69 C ATOM 1491 C ASN A 93 13.853 -4.807 -3.912 1.00 1.61 C ATOM 1492 O ASN A 93 13.701 -6.009 -4.132 1.00 2.51 O ATOM 1493 CB ASN A 93 13.831 -4.121 -1.521 1.00 2.19 C ATOM 1494 CG ASN A 93 14.478 -3.261 -0.453 1.00 2.86 C ATOM 1495 OD1 ASN A 93 15.224 -3.748 0.392 1.00 3.75 O ATOM 1496 ND2 ASN A 93 14.170 -1.972 -0.458 1.00 2.87 N ATOM 0 H ASN A 93 14.812 -2.277 -3.036 1.00 1.21 H new ATOM 0 HA ASN A 93 15.467 -5.100 -2.541 1.00 1.69 H new ATOM 0 HB2 ASN A 93 12.896 -3.656 -1.834 1.00 2.19 H new ATOM 0 HB3 ASN A 93 13.576 -5.090 -1.091 1.00 2.19 H new ATOM 0 HD21 ASN A 93 14.556 -1.353 0.255 1.00 2.87 H new ATOM 0 HD22 ASN A 93 13.547 -1.599 -1.174 1.00 2.87 H new ATOM 1503 N SER A 94 13.301 -3.841 -4.652 1.00 0.91 N ATOM 1504 CA SER A 94 12.260 -4.087 -5.659 1.00 0.83 C ATOM 1505 C SER A 94 10.955 -4.524 -5.003 1.00 0.78 C ATOM 1506 O SER A 94 9.909 -3.991 -5.338 1.00 1.32 O ATOM 1507 CB SER A 94 12.695 -5.119 -6.701 1.00 0.93 C ATOM 1508 OG SER A 94 13.867 -4.698 -7.381 1.00 1.37 O ATOM 0 H SER A 94 13.564 -2.859 -4.570 1.00 0.91 H new ATOM 0 HA SER A 94 12.097 -3.142 -6.177 1.00 0.83 H new ATOM 0 HB2 SER A 94 12.878 -6.077 -6.214 1.00 0.93 H new ATOM 0 HB3 SER A 94 11.891 -5.276 -7.420 1.00 0.93 H new ATOM 0 HG SER A 94 14.124 -5.376 -8.040 1.00 1.37 H new ATOM 1514 N SER A 95 11.049 -5.501 -4.085 1.00 0.54 N ATOM 1515 CA SER A 95 9.922 -6.009 -3.288 1.00 0.59 C ATOM 1516 C SER A 95 8.589 -5.895 -4.005 1.00 0.54 C ATOM 1517 O SER A 95 7.858 -4.919 -3.844 1.00 0.64 O ATOM 1518 CB SER A 95 9.866 -5.300 -1.937 1.00 0.83 C ATOM 1519 OG SER A 95 11.099 -5.435 -1.255 1.00 1.55 O ATOM 0 H SER A 95 11.930 -5.969 -3.873 1.00 0.54 H new ATOM 0 HA SER A 95 10.101 -7.073 -3.132 1.00 0.59 H new ATOM 0 HB2 SER A 95 9.638 -4.244 -2.083 1.00 0.83 H new ATOM 0 HB3 SER A 95 9.062 -5.719 -1.333 1.00 0.83 H new ATOM 0 HG SER A 95 11.213 -6.364 -0.966 1.00 1.55 H new ATOM 1525 N GLU A 96 8.271 -6.905 -4.783 1.00 0.53 N ATOM 1526 CA GLU A 96 7.088 -6.876 -5.602 1.00 0.60 C ATOM 1527 C GLU A 96 6.078 -7.803 -4.962 1.00 0.69 C ATOM 1528 O GLU A 96 6.477 -8.738 -4.280 1.00 1.06 O ATOM 1529 CB GLU A 96 7.464 -7.306 -7.029 1.00 0.65 C ATOM 1530 CG GLU A 96 6.285 -7.600 -7.939 1.00 1.06 C ATOM 1531 CD GLU A 96 6.709 -8.235 -9.247 1.00 1.21 C ATOM 1532 OE1 GLU A 96 6.960 -9.456 -9.271 1.00 1.73 O ATOM 1533 OE2 GLU A 96 6.793 -7.514 -10.263 1.00 1.23 O ATOM 0 H GLU A 96 8.821 -7.760 -4.863 1.00 0.53 H new ATOM 0 HA GLU A 96 6.652 -5.879 -5.672 1.00 0.60 H new ATOM 0 HB2 GLU A 96 8.067 -6.520 -7.483 1.00 0.65 H new ATOM 0 HB3 GLU A 96 8.091 -8.196 -6.972 1.00 0.65 H new ATOM 0 HG2 GLU A 96 5.589 -8.263 -7.425 1.00 1.06 H new ATOM 0 HG3 GLU A 96 5.749 -6.674 -8.145 1.00 1.06 H new ATOM 1540 N PHE A 97 4.795 -7.522 -5.101 1.00 0.46 N ATOM 1541 CA PHE A 97 3.784 -8.408 -4.549 1.00 0.48 C ATOM 1542 C PHE A 97 2.449 -8.260 -5.251 1.00 0.42 C ATOM 1543 O PHE A 97 2.065 -7.161 -5.661 1.00 0.42 O ATOM 1544 CB PHE A 97 3.636 -8.214 -3.033 1.00 0.52 C ATOM 1545 CG PHE A 97 3.641 -6.784 -2.555 1.00 0.50 C ATOM 1546 CD1 PHE A 97 2.477 -6.033 -2.590 1.00 0.54 C ATOM 1547 CD2 PHE A 97 4.806 -6.183 -2.103 1.00 0.54 C ATOM 1548 CE1 PHE A 97 2.472 -4.714 -2.181 1.00 0.55 C ATOM 1549 CE2 PHE A 97 4.805 -4.864 -1.690 1.00 0.59 C ATOM 1550 CZ PHE A 97 3.664 -4.166 -1.619 1.00 0.56 C ATOM 0 H PHE A 97 4.431 -6.700 -5.584 1.00 0.46 H new ATOM 0 HA PHE A 97 4.128 -9.427 -4.725 1.00 0.48 H new ATOM 0 HB2 PHE A 97 2.704 -8.681 -2.714 1.00 0.52 H new ATOM 0 HB3 PHE A 97 4.446 -8.747 -2.536 1.00 0.52 H new ATOM 0 HD1 PHE A 97 1.562 -6.485 -2.942 1.00 0.54 H new ATOM 0 HD2 PHE A 97 5.724 -6.752 -2.073 1.00 0.54 H new ATOM 0 HE1 PHE A 97 1.583 -4.109 -2.284 1.00 0.55 H new ATOM 0 HE2 PHE A 97 5.737 -4.390 -1.421 1.00 0.59 H new ATOM 0 HZ PHE A 97 3.646 -3.198 -1.141 1.00 0.56 H new ATOM 1560 N THR A 98 1.756 -9.385 -5.406 1.00 0.38 N ATOM 1561 CA THR A 98 0.454 -9.394 -6.044 1.00 0.34 C ATOM 1562 C THR A 98 -0.633 -9.141 -5.012 1.00 0.27 C ATOM 1563 O THR A 98 -0.905 -9.995 -4.168 1.00 0.27 O ATOM 1564 CB THR A 98 0.183 -10.745 -6.730 1.00 0.37 C ATOM 1565 OG1 THR A 98 1.325 -11.144 -7.503 1.00 0.46 O ATOM 1566 CG2 THR A 98 -1.043 -10.662 -7.632 1.00 0.37 C ATOM 0 H THR A 98 2.080 -10.301 -5.096 1.00 0.38 H new ATOM 0 HA THR A 98 0.446 -8.606 -6.797 1.00 0.34 H new ATOM 0 HB THR A 98 -0.007 -11.487 -5.954 1.00 0.37 H new ATOM 0 HG1 THR A 98 1.144 -12.005 -7.934 1.00 0.46 H new ATOM 0 HG21 THR A 98 -1.213 -11.629 -8.105 1.00 0.37 H new ATOM 0 HG22 THR A 98 -1.915 -10.391 -7.037 1.00 0.37 H new ATOM 0 HG23 THR A 98 -0.879 -9.906 -8.400 1.00 0.37 H new ATOM 1574 N VAL A 99 -1.231 -7.959 -5.059 1.00 0.27 N ATOM 1575 CA VAL A 99 -2.320 -7.631 -4.161 1.00 0.25 C ATOM 1576 C VAL A 99 -3.618 -8.198 -4.721 1.00 0.25 C ATOM 1577 O VAL A 99 -4.137 -7.708 -5.725 1.00 0.26 O ATOM 1578 CB VAL A 99 -2.437 -6.096 -3.971 1.00 0.28 C ATOM 1579 CG1 VAL A 99 -3.678 -5.728 -3.182 1.00 0.30 C ATOM 1580 CG2 VAL A 99 -1.193 -5.549 -3.288 1.00 0.29 C ATOM 0 H VAL A 99 -0.978 -7.215 -5.709 1.00 0.27 H new ATOM 0 HA VAL A 99 -2.121 -8.072 -3.184 1.00 0.25 H new ATOM 0 HB VAL A 99 -2.524 -5.644 -4.959 1.00 0.28 H new ATOM 0 HG11 VAL A 99 -3.729 -4.645 -3.068 1.00 0.30 H new ATOM 0 HG12 VAL A 99 -4.563 -6.079 -3.712 1.00 0.30 H new ATOM 0 HG13 VAL A 99 -3.635 -6.195 -2.198 1.00 0.30 H new ATOM 0 HG21 VAL A 99 -1.291 -4.471 -3.162 1.00 0.29 H new ATOM 0 HG22 VAL A 99 -1.078 -6.019 -2.311 1.00 0.29 H new ATOM 0 HG23 VAL A 99 -0.317 -5.765 -3.900 1.00 0.29 H new ATOM 1590 N THR A 100 -4.120 -9.235 -4.072 1.00 0.25 N ATOM 1591 CA THR A 100 -5.296 -9.940 -4.546 1.00 0.26 C ATOM 1592 C THR A 100 -6.521 -9.570 -3.727 1.00 0.28 C ATOM 1593 O THR A 100 -6.656 -9.992 -2.584 1.00 0.31 O ATOM 1594 CB THR A 100 -5.084 -11.464 -4.459 1.00 0.29 C ATOM 1595 OG1 THR A 100 -3.773 -11.801 -4.943 1.00 0.34 O ATOM 1596 CG2 THR A 100 -6.144 -12.202 -5.264 1.00 0.32 C ATOM 0 H THR A 100 -3.727 -9.609 -3.208 1.00 0.25 H new ATOM 0 HA THR A 100 -5.456 -9.648 -5.584 1.00 0.26 H new ATOM 0 HB THR A 100 -5.172 -11.769 -3.416 1.00 0.29 H new ATOM 0 HG1 THR A 100 -3.126 -11.730 -4.211 1.00 0.34 H new ATOM 0 HG21 THR A 100 -5.976 -13.276 -5.189 1.00 0.32 H new ATOM 0 HG22 THR A 100 -7.132 -11.961 -4.872 1.00 0.32 H new ATOM 0 HG23 THR A 100 -6.085 -11.898 -6.309 1.00 0.32 H new ATOM 1604 N PHE A 101 -7.406 -8.775 -4.303 1.00 0.28 N ATOM 1605 CA PHE A 101 -8.645 -8.426 -3.629 1.00 0.31 C ATOM 1606 C PHE A 101 -9.741 -9.418 -4.003 1.00 0.31 C ATOM 1607 O PHE A 101 -10.147 -9.502 -5.162 1.00 0.36 O ATOM 1608 CB PHE A 101 -9.083 -6.998 -3.980 1.00 0.38 C ATOM 1609 CG PHE A 101 -8.336 -5.909 -3.258 1.00 0.41 C ATOM 1610 CD1 PHE A 101 -8.611 -5.620 -1.933 1.00 0.42 C ATOM 1611 CD2 PHE A 101 -7.345 -5.183 -3.904 1.00 0.52 C ATOM 1612 CE1 PHE A 101 -7.914 -4.631 -1.267 1.00 0.50 C ATOM 1613 CE2 PHE A 101 -6.650 -4.189 -3.241 1.00 0.60 C ATOM 1614 CZ PHE A 101 -6.979 -3.878 -1.927 1.00 0.56 C ATOM 0 H PHE A 101 -7.292 -8.362 -5.228 1.00 0.28 H new ATOM 0 HA PHE A 101 -8.471 -8.472 -2.554 1.00 0.31 H new ATOM 0 HB2 PHE A 101 -8.963 -6.850 -5.053 1.00 0.38 H new ATOM 0 HB3 PHE A 101 -10.146 -6.896 -3.761 1.00 0.38 H new ATOM 0 HD1 PHE A 101 -9.379 -6.174 -1.414 1.00 0.42 H new ATOM 0 HD2 PHE A 101 -7.114 -5.397 -4.937 1.00 0.52 H new ATOM 0 HE1 PHE A 101 -8.107 -4.450 -0.220 1.00 0.50 H new ATOM 0 HE2 PHE A 101 -5.855 -3.656 -3.742 1.00 0.60 H new ATOM 0 HZ PHE A 101 -6.500 -3.048 -1.429 1.00 0.56 H new ATOM 1624 N VAL A 102 -10.210 -10.172 -3.024 1.00 0.32 N ATOM 1625 CA VAL A 102 -11.264 -11.151 -3.247 1.00 0.38 C ATOM 1626 C VAL A 102 -12.612 -10.573 -2.832 1.00 0.37 C ATOM 1627 O VAL A 102 -12.839 -10.295 -1.652 1.00 0.35 O ATOM 1628 CB VAL A 102 -11.003 -12.457 -2.464 1.00 0.45 C ATOM 1629 CG1 VAL A 102 -12.103 -13.478 -2.729 1.00 0.56 C ATOM 1630 CG2 VAL A 102 -9.640 -13.032 -2.821 1.00 0.48 C ATOM 0 H VAL A 102 -9.876 -10.126 -2.061 1.00 0.32 H new ATOM 0 HA VAL A 102 -11.274 -11.387 -4.311 1.00 0.38 H new ATOM 0 HB VAL A 102 -11.009 -12.222 -1.400 1.00 0.45 H new ATOM 0 HG11 VAL A 102 -11.897 -14.389 -2.167 1.00 0.56 H new ATOM 0 HG12 VAL A 102 -13.063 -13.068 -2.416 1.00 0.56 H new ATOM 0 HG13 VAL A 102 -12.137 -13.709 -3.794 1.00 0.56 H new ATOM 0 HG21 VAL A 102 -9.475 -13.951 -2.259 1.00 0.48 H new ATOM 0 HG22 VAL A 102 -9.604 -13.248 -3.889 1.00 0.48 H new ATOM 0 HG23 VAL A 102 -8.863 -12.309 -2.571 1.00 0.48 H new ATOM 1640 N ALA A 103 -13.490 -10.378 -3.808 1.00 0.46 N ATOM 1641 CA ALA A 103 -14.804 -9.806 -3.554 1.00 0.51 C ATOM 1642 C ALA A 103 -15.717 -10.814 -2.863 1.00 0.56 C ATOM 1643 O ALA A 103 -15.904 -11.928 -3.349 1.00 0.66 O ATOM 1644 CB ALA A 103 -15.433 -9.328 -4.855 1.00 0.65 C ATOM 0 H ALA A 103 -13.314 -10.609 -4.786 1.00 0.46 H new ATOM 0 HA ALA A 103 -14.678 -8.952 -2.889 1.00 0.51 H new ATOM 0 HB1 ALA A 103 -16.415 -8.903 -4.649 1.00 0.65 H new ATOM 0 HB2 ALA A 103 -14.797 -8.569 -5.309 1.00 0.65 H new ATOM 0 HB3 ALA A 103 -15.538 -10.170 -5.539 1.00 0.65 H new ATOM 1650 N ASP A 104 -16.277 -10.414 -1.731 1.00 0.56 N ATOM 1651 CA ASP A 104 -17.160 -11.279 -0.963 1.00 0.71 C ATOM 1652 C ASP A 104 -18.522 -10.621 -0.790 1.00 0.86 C ATOM 1653 O ASP A 104 -18.646 -9.601 -0.108 1.00 0.98 O ATOM 1654 CB ASP A 104 -16.552 -11.570 0.410 1.00 0.75 C ATOM 1655 CG ASP A 104 -17.293 -12.661 1.155 1.00 1.37 C ATOM 1656 OD1 ASP A 104 -17.971 -13.481 0.505 1.00 1.45 O ATOM 1657 OD2 ASP A 104 -17.200 -12.706 2.398 1.00 2.23 O ATOM 0 H ASP A 104 -16.134 -9.490 -1.322 1.00 0.56 H new ATOM 0 HA ASP A 104 -17.283 -12.217 -1.505 1.00 0.71 H new ATOM 0 HB2 ASP A 104 -15.509 -11.863 0.287 1.00 0.75 H new ATOM 0 HB3 ASP A 104 -16.559 -10.658 1.007 1.00 0.75 H new ATOM 1662 N GLY A 105 -19.533 -11.188 -1.444 1.00 0.92 N ATOM 1663 CA GLY A 105 -20.890 -10.663 -1.350 1.00 1.13 C ATOM 1664 C GLY A 105 -21.017 -9.242 -1.880 1.00 1.01 C ATOM 1665 O GLY A 105 -22.032 -8.583 -1.658 1.00 1.59 O ATOM 0 H GLY A 105 -19.437 -12.008 -2.043 1.00 0.92 H new ATOM 0 HA2 GLY A 105 -21.565 -11.314 -1.906 1.00 1.13 H new ATOM 0 HA3 GLY A 105 -21.211 -10.686 -0.309 1.00 1.13 H new ATOM 1669 N GLN A 106 -19.968 -8.782 -2.562 1.00 1.43 N ATOM 1670 CA GLN A 106 -19.897 -7.430 -3.118 1.00 2.28 C ATOM 1671 C GLN A 106 -20.061 -6.359 -2.029 1.00 1.88 C ATOM 1672 O GLN A 106 -20.382 -5.207 -2.318 1.00 2.68 O ATOM 1673 CB GLN A 106 -20.937 -7.244 -4.229 1.00 3.25 C ATOM 1674 CG GLN A 106 -20.589 -6.120 -5.196 1.00 4.15 C ATOM 1675 CD GLN A 106 -19.269 -6.364 -5.904 1.00 5.18 C ATOM 1676 OE1 GLN A 106 -18.206 -5.974 -5.417 1.00 5.68 O ATOM 1677 NE2 GLN A 106 -19.334 -7.004 -7.059 1.00 5.83 N ATOM 0 H GLN A 106 -19.136 -9.342 -2.746 1.00 1.43 H new ATOM 0 HA GLN A 106 -18.905 -7.305 -3.551 1.00 2.28 H new ATOM 0 HB2 GLN A 106 -21.035 -8.176 -4.786 1.00 3.25 H new ATOM 0 HB3 GLN A 106 -21.908 -7.039 -3.778 1.00 3.25 H new ATOM 0 HG2 GLN A 106 -21.383 -6.020 -5.936 1.00 4.15 H new ATOM 0 HG3 GLN A 106 -20.539 -5.177 -4.652 1.00 4.15 H new ATOM 0 HE21 GLN A 106 -20.237 -7.308 -7.423 1.00 5.83 H new ATOM 0 HE22 GLN A 106 -18.481 -7.194 -7.586 1.00 5.83 H new ATOM 1686 N LYS A 107 -19.837 -6.741 -0.779 1.00 0.88 N ATOM 1687 CA LYS A 107 -19.833 -5.788 0.329 1.00 0.53 C ATOM 1688 C LYS A 107 -18.758 -6.163 1.326 1.00 0.43 C ATOM 1689 O LYS A 107 -18.726 -5.676 2.453 1.00 0.55 O ATOM 1690 CB LYS A 107 -21.193 -5.729 1.026 1.00 0.86 C ATOM 1691 CG LYS A 107 -21.593 -7.034 1.696 1.00 1.78 C ATOM 1692 CD LYS A 107 -22.748 -6.838 2.665 1.00 2.45 C ATOM 1693 CE LYS A 107 -22.340 -5.995 3.868 1.00 3.21 C ATOM 1694 NZ LYS A 107 -23.429 -5.893 4.875 1.00 3.85 N ATOM 0 H LYS A 107 -19.655 -7.706 -0.504 1.00 0.88 H new ATOM 0 HA LYS A 107 -19.624 -4.799 -0.080 1.00 0.53 H new ATOM 0 HB2 LYS A 107 -21.174 -4.937 1.775 1.00 0.86 H new ATOM 0 HB3 LYS A 107 -21.955 -5.458 0.295 1.00 0.86 H new ATOM 0 HG2 LYS A 107 -21.876 -7.762 0.935 1.00 1.78 H new ATOM 0 HG3 LYS A 107 -20.737 -7.447 2.229 1.00 1.78 H new ATOM 0 HD2 LYS A 107 -23.578 -6.357 2.148 1.00 2.45 H new ATOM 0 HD3 LYS A 107 -23.105 -7.810 3.006 1.00 2.45 H new ATOM 0 HE2 LYS A 107 -21.456 -6.432 4.333 1.00 3.21 H new ATOM 0 HE3 LYS A 107 -22.062 -4.996 3.532 1.00 3.21 H new ATOM 0 HZ1 LYS A 107 -23.108 -5.311 5.675 1.00 3.85 H new ATOM 0 HZ2 LYS A 107 -24.264 -5.452 4.440 1.00 3.85 H new ATOM 0 HZ3 LYS A 107 -23.677 -6.844 5.216 1.00 3.85 H new ATOM 1708 N LYS A 108 -17.882 -7.035 0.894 1.00 0.38 N ATOM 1709 CA LYS A 108 -16.719 -7.396 1.662 1.00 0.33 C ATOM 1710 C LYS A 108 -15.610 -7.713 0.686 1.00 0.30 C ATOM 1711 O LYS A 108 -15.882 -8.087 -0.455 1.00 0.34 O ATOM 1712 CB LYS A 108 -17.000 -8.620 2.527 1.00 0.38 C ATOM 1713 CG LYS A 108 -15.992 -8.830 3.646 1.00 0.42 C ATOM 1714 CD LYS A 108 -16.117 -10.198 4.308 1.00 0.66 C ATOM 1715 CE LYS A 108 -17.492 -10.435 4.923 1.00 1.08 C ATOM 1716 NZ LYS A 108 -18.469 -10.981 3.941 1.00 1.82 N ATOM 0 H LYS A 108 -17.956 -7.515 -0.003 1.00 0.38 H new ATOM 0 HA LYS A 108 -16.441 -6.575 2.322 1.00 0.33 H new ATOM 0 HB2 LYS A 108 -17.995 -8.525 2.961 1.00 0.38 H new ATOM 0 HB3 LYS A 108 -17.013 -9.506 1.892 1.00 0.38 H new ATOM 0 HG2 LYS A 108 -14.984 -8.716 3.247 1.00 0.42 H new ATOM 0 HG3 LYS A 108 -16.126 -8.054 4.399 1.00 0.42 H new ATOM 0 HD2 LYS A 108 -15.916 -10.974 3.569 1.00 0.66 H new ATOM 0 HD3 LYS A 108 -15.357 -10.292 5.083 1.00 0.66 H new ATOM 0 HE2 LYS A 108 -17.398 -11.127 5.760 1.00 1.08 H new ATOM 0 HE3 LYS A 108 -17.873 -9.497 5.326 1.00 1.08 H new ATOM 0 HZ1 LYS A 108 -19.021 -11.742 4.386 1.00 1.82 H new ATOM 0 HZ2 LYS A 108 -19.111 -10.223 3.632 1.00 1.82 H new ATOM 0 HZ3 LYS A 108 -17.959 -11.360 3.118 1.00 1.82 H new ATOM 1730 N THR A 109 -14.379 -7.543 1.101 1.00 0.26 N ATOM 1731 CA THR A 109 -13.263 -7.895 0.257 1.00 0.25 C ATOM 1732 C THR A 109 -12.034 -8.225 1.083 1.00 0.26 C ATOM 1733 O THR A 109 -11.517 -7.395 1.827 1.00 0.32 O ATOM 1734 CB THR A 109 -12.956 -6.785 -0.767 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.031 -6.703 -1.705 1.00 0.30 O ATOM 1736 CG2 THR A 109 -11.661 -7.057 -1.509 1.00 0.27 C ATOM 0 H THR A 109 -14.125 -7.165 2.014 1.00 0.26 H new ATOM 0 HA THR A 109 -13.545 -8.789 -0.299 1.00 0.25 H new ATOM 0 HB THR A 109 -12.847 -5.843 -0.229 1.00 0.26 H new ATOM 0 HG1 THR A 109 -14.672 -7.424 -1.532 1.00 0.30 H new ATOM 0 HG21 THR A 109 -11.475 -6.255 -2.223 1.00 0.27 H new ATOM 0 HG22 THR A 109 -10.837 -7.107 -0.797 1.00 0.27 H new ATOM 0 HG23 THR A 109 -11.739 -8.005 -2.041 1.00 0.27 H new ATOM 1744 N ARG A 110 -11.606 -9.465 0.963 1.00 0.28 N ATOM 1745 CA ARG A 110 -10.412 -9.940 1.625 1.00 0.31 C ATOM 1746 C ARG A 110 -9.244 -9.885 0.656 1.00 0.29 C ATOM 1747 O ARG A 110 -9.261 -10.551 -0.377 1.00 0.35 O ATOM 1748 CB ARG A 110 -10.630 -11.374 2.107 1.00 0.41 C ATOM 1749 CG ARG A 110 -9.369 -12.080 2.584 1.00 0.75 C ATOM 1750 CD ARG A 110 -8.866 -11.542 3.909 1.00 0.77 C ATOM 1751 NE ARG A 110 -7.870 -12.442 4.491 1.00 1.13 N ATOM 1752 CZ ARG A 110 -7.473 -12.404 5.761 1.00 1.66 C ATOM 1753 NH1 ARG A 110 -7.933 -11.465 6.580 1.00 2.31 N ATOM 1754 NH2 ARG A 110 -6.616 -13.312 6.213 1.00 2.01 N ATOM 0 H ARG A 110 -12.079 -10.173 0.401 1.00 0.28 H new ATOM 0 HA ARG A 110 -10.192 -9.308 2.485 1.00 0.31 H new ATOM 0 HB2 ARG A 110 -11.355 -11.364 2.921 1.00 0.41 H new ATOM 0 HB3 ARG A 110 -11.070 -11.953 1.295 1.00 0.41 H new ATOM 0 HG2 ARG A 110 -9.569 -13.147 2.682 1.00 0.75 H new ATOM 0 HG3 ARG A 110 -8.588 -11.970 1.831 1.00 0.75 H new ATOM 0 HD2 ARG A 110 -8.429 -10.554 3.763 1.00 0.77 H new ATOM 0 HD3 ARG A 110 -9.702 -11.422 4.599 1.00 0.77 H new ATOM 0 HE ARG A 110 -7.452 -13.146 3.883 1.00 1.13 H new ATOM 0 HH11 ARG A 110 -8.594 -10.768 6.237 1.00 2.31 H new ATOM 0 HH12 ARG A 110 -7.625 -11.441 7.552 1.00 2.31 H new ATOM 0 HH21 ARG A 110 -6.263 -14.036 5.587 1.00 2.01 H new ATOM 0 HH22 ARG A 110 -6.310 -13.285 7.186 1.00 2.01 H new ATOM 1768 N VAL A 111 -8.250 -9.079 0.971 1.00 0.29 N ATOM 1769 CA VAL A 111 -7.081 -8.974 0.120 1.00 0.29 C ATOM 1770 C VAL A 111 -5.961 -9.850 0.656 1.00 0.30 C ATOM 1771 O VAL A 111 -5.670 -9.848 1.861 1.00 0.34 O ATOM 1772 CB VAL A 111 -6.579 -7.519 -0.006 1.00 0.32 C ATOM 1773 CG1 VAL A 111 -6.071 -6.996 1.322 1.00 0.57 C ATOM 1774 CG2 VAL A 111 -5.492 -7.421 -1.058 1.00 0.63 C ATOM 0 H VAL A 111 -8.227 -8.491 1.804 1.00 0.29 H new ATOM 0 HA VAL A 111 -7.377 -9.313 -0.873 1.00 0.29 H new ATOM 0 HB VAL A 111 -7.423 -6.901 -0.313 1.00 0.32 H new ATOM 0 HG11 VAL A 111 -5.725 -5.970 1.200 1.00 0.57 H new ATOM 0 HG12 VAL A 111 -6.877 -7.023 2.056 1.00 0.57 H new ATOM 0 HG13 VAL A 111 -5.246 -7.619 1.667 1.00 0.57 H new ATOM 0 HG21 VAL A 111 -5.150 -6.389 -1.133 1.00 0.63 H new ATOM 0 HG22 VAL A 111 -4.655 -8.061 -0.777 1.00 0.63 H new ATOM 0 HG23 VAL A 111 -5.888 -7.743 -2.021 1.00 0.63 H new ATOM 1784 N ASP A 112 -5.359 -10.611 -0.236 1.00 0.28 N ATOM 1785 CA ASP A 112 -4.196 -11.396 0.097 1.00 0.30 C ATOM 1786 C ASP A 112 -3.084 -11.107 -0.893 1.00 0.28 C ATOM 1787 O ASP A 112 -3.279 -11.143 -2.104 1.00 0.31 O ATOM 1788 CB ASP A 112 -4.521 -12.898 0.141 1.00 0.37 C ATOM 1789 CG ASP A 112 -4.840 -13.509 -1.214 1.00 1.21 C ATOM 1790 OD1 ASP A 112 -3.896 -13.947 -1.907 1.00 1.19 O ATOM 1791 OD2 ASP A 112 -6.025 -13.521 -1.608 1.00 2.17 O ATOM 0 H ASP A 112 -5.663 -10.700 -1.206 1.00 0.28 H new ATOM 0 HA ASP A 112 -3.864 -11.113 1.096 1.00 0.30 H new ATOM 0 HB2 ASP A 112 -3.674 -13.429 0.575 1.00 0.37 H new ATOM 0 HB3 ASP A 112 -5.370 -13.055 0.806 1.00 0.37 H new ATOM 1796 N VAL A 113 -1.938 -10.734 -0.372 1.00 0.30 N ATOM 1797 CA VAL A 113 -0.759 -10.570 -1.206 1.00 0.31 C ATOM 1798 C VAL A 113 0.011 -11.856 -1.255 1.00 0.33 C ATOM 1799 O VAL A 113 0.203 -12.501 -0.227 1.00 0.35 O ATOM 1800 CB VAL A 113 0.174 -9.431 -0.726 1.00 0.36 C ATOM 1801 CG1 VAL A 113 1.645 -9.770 -0.916 1.00 0.51 C ATOM 1802 CG2 VAL A 113 -0.156 -8.153 -1.457 1.00 0.42 C ATOM 0 H VAL A 113 -1.792 -10.538 0.618 1.00 0.30 H new ATOM 0 HA VAL A 113 -1.115 -10.296 -2.199 1.00 0.31 H new ATOM 0 HB VAL A 113 0.005 -9.302 0.343 1.00 0.36 H new ATOM 0 HG11 VAL A 113 2.258 -8.940 -0.564 1.00 0.51 H new ATOM 0 HG12 VAL A 113 1.888 -10.667 -0.347 1.00 0.51 H new ATOM 0 HG13 VAL A 113 1.844 -9.946 -1.973 1.00 0.51 H new ATOM 0 HG21 VAL A 113 0.504 -7.357 -1.114 1.00 0.42 H new ATOM 0 HG22 VAL A 113 -0.020 -8.301 -2.528 1.00 0.42 H new ATOM 0 HG23 VAL A 113 -1.191 -7.877 -1.258 1.00 0.42 H new ATOM 1812 N GLU A 114 0.417 -12.220 -2.451 1.00 0.37 N ATOM 1813 CA GLU A 114 1.263 -13.365 -2.663 1.00 0.45 C ATOM 1814 C GLU A 114 2.416 -12.986 -3.570 1.00 0.53 C ATOM 1815 O GLU A 114 2.212 -12.533 -4.705 1.00 0.63 O ATOM 1816 CB GLU A 114 0.459 -14.501 -3.276 1.00 0.62 C ATOM 1817 CG GLU A 114 -0.498 -15.161 -2.298 1.00 1.31 C ATOM 1818 CD GLU A 114 0.210 -16.075 -1.320 1.00 1.67 C ATOM 1819 OE1 GLU A 114 0.809 -17.080 -1.752 1.00 2.33 O ATOM 1820 OE2 GLU A 114 0.202 -15.770 -0.107 1.00 1.79 O ATOM 0 H GLU A 114 0.166 -11.725 -3.307 1.00 0.37 H new ATOM 0 HA GLU A 114 1.661 -13.700 -1.705 1.00 0.45 H new ATOM 0 HB2 GLU A 114 -0.108 -14.118 -4.125 1.00 0.62 H new ATOM 0 HB3 GLU A 114 1.145 -15.253 -3.665 1.00 0.62 H new ATOM 0 HG2 GLU A 114 -1.036 -14.391 -1.746 1.00 1.31 H new ATOM 0 HG3 GLU A 114 -1.241 -15.734 -2.853 1.00 1.31 H new ATOM 1827 N HIS A 115 3.617 -13.056 -3.030 1.00 0.59 N ATOM 1828 CA HIS A 115 4.820 -12.925 -3.829 1.00 0.84 C ATOM 1829 C HIS A 115 5.980 -13.612 -3.135 1.00 0.77 C ATOM 1830 O HIS A 115 5.935 -13.831 -1.923 1.00 0.84 O ATOM 1831 CB HIS A 115 5.150 -11.473 -4.121 1.00 1.21 C ATOM 1832 CG HIS A 115 6.105 -11.314 -5.256 1.00 1.87 C ATOM 1833 ND1 HIS A 115 7.471 -11.312 -5.091 1.00 2.61 N ATOM 1834 CD2 HIS A 115 5.884 -11.136 -6.575 1.00 2.39 C ATOM 1835 CE1 HIS A 115 8.048 -11.139 -6.261 1.00 3.10 C ATOM 1836 NE2 HIS A 115 7.109 -11.028 -7.182 1.00 2.92 N ATOM 0 H HIS A 115 3.786 -13.204 -2.035 1.00 0.59 H new ATOM 0 HA HIS A 115 4.640 -13.411 -4.788 1.00 0.84 H new ATOM 0 HB2 HIS A 115 4.230 -10.935 -4.348 1.00 1.21 H new ATOM 0 HB3 HIS A 115 5.575 -11.015 -3.228 1.00 1.21 H new ATOM 0 HD1 HIS A 115 7.959 -11.426 -4.203 1.00 2.61 H new ATOM 0 HD2 HIS A 115 4.921 -11.088 -7.062 1.00 2.39 H new ATOM 0 HE1 HIS A 115 9.112 -11.095 -6.438 1.00 3.10 H new ATOM 0 HE2 HIS A 115 7.268 -10.886 -8.179 1.00 2.92 H new ATOM 1845 N THR A 116 6.993 -13.986 -3.901 1.00 0.79 N ATOM 1846 CA THR A 116 8.139 -14.697 -3.358 1.00 0.93 C ATOM 1847 C THR A 116 9.359 -14.523 -4.259 1.00 1.11 C ATOM 1848 O THR A 116 9.509 -15.235 -5.252 1.00 1.96 O ATOM 1849 CB THR A 116 7.848 -16.203 -3.195 1.00 1.53 C ATOM 1850 OG1 THR A 116 6.589 -16.395 -2.533 1.00 2.20 O ATOM 1851 CG2 THR A 116 8.946 -16.883 -2.390 1.00 2.20 C ATOM 0 H THR A 116 7.044 -13.808 -4.904 1.00 0.79 H new ATOM 0 HA THR A 116 8.342 -14.270 -2.376 1.00 0.93 H new ATOM 0 HB THR A 116 7.811 -16.648 -4.189 1.00 1.53 H new ATOM 0 HG1 THR A 116 6.413 -17.354 -2.436 1.00 2.20 H new ATOM 0 HG21 THR A 116 8.719 -17.944 -2.288 1.00 2.20 H new ATOM 0 HG22 THR A 116 9.900 -16.764 -2.903 1.00 2.20 H new ATOM 0 HG23 THR A 116 9.007 -16.429 -1.401 1.00 2.20 H new ATOM 1859 N HIS A 117 10.198 -13.542 -3.940 1.00 1.16 N ATOM 1860 CA HIS A 117 11.467 -13.353 -4.639 1.00 1.83 C ATOM 1861 C HIS A 117 12.262 -12.235 -3.980 1.00 1.52 C ATOM 1862 O HIS A 117 13.287 -12.473 -3.349 1.00 1.49 O ATOM 1863 CB HIS A 117 11.237 -13.016 -6.119 1.00 2.76 C ATOM 1864 CG HIS A 117 12.453 -13.189 -6.981 1.00 3.08 C ATOM 1865 ND1 HIS A 117 12.504 -14.085 -8.024 1.00 3.48 N ATOM 1866 CD2 HIS A 117 13.656 -12.573 -6.958 1.00 3.43 C ATOM 1867 CE1 HIS A 117 13.688 -14.013 -8.604 1.00 3.98 C ATOM 1868 NE2 HIS A 117 14.409 -13.103 -7.975 1.00 4.01 N ATOM 0 H HIS A 117 10.022 -12.863 -3.199 1.00 1.16 H new ATOM 0 HA HIS A 117 12.028 -14.286 -4.580 1.00 1.83 H new ATOM 0 HB2 HIS A 117 10.438 -13.649 -6.505 1.00 2.76 H new ATOM 0 HB3 HIS A 117 10.893 -11.985 -6.197 1.00 2.76 H new ATOM 0 HD2 HIS A 117 13.967 -11.805 -6.266 1.00 3.43 H new ATOM 0 HE1 HIS A 117 14.012 -14.600 -9.451 1.00 3.98 H new ATOM 0 HE2 HIS A 117 15.366 -12.838 -8.207 1.00 4.01 H new ATOM 1877 N PHE A 118 11.768 -11.017 -4.132 1.00 1.41 N ATOM 1878 CA PHE A 118 12.437 -9.838 -3.597 1.00 1.35 C ATOM 1879 C PHE A 118 12.038 -9.630 -2.144 1.00 1.22 C ATOM 1880 O PHE A 118 12.798 -9.110 -1.337 1.00 1.19 O ATOM 1881 CB PHE A 118 12.048 -8.607 -4.414 1.00 1.61 C ATOM 1882 CG PHE A 118 12.108 -8.817 -5.900 1.00 2.68 C ATOM 1883 CD1 PHE A 118 13.325 -8.937 -6.549 1.00 3.70 C ATOM 1884 CD2 PHE A 118 10.944 -8.890 -6.647 1.00 2.93 C ATOM 1885 CE1 PHE A 118 13.379 -9.127 -7.917 1.00 4.87 C ATOM 1886 CE2 PHE A 118 10.991 -9.079 -8.014 1.00 4.09 C ATOM 1887 CZ PHE A 118 12.210 -9.199 -8.649 1.00 5.04 C ATOM 0 H PHE A 118 10.898 -10.816 -4.626 1.00 1.41 H new ATOM 0 HA PHE A 118 13.515 -9.985 -3.656 1.00 1.35 H new ATOM 0 HB2 PHE A 118 11.037 -8.307 -4.140 1.00 1.61 H new ATOM 0 HB3 PHE A 118 12.709 -7.782 -4.147 1.00 1.61 H new ATOM 0 HD1 PHE A 118 14.242 -8.882 -5.981 1.00 3.70 H new ATOM 0 HD2 PHE A 118 9.987 -8.798 -6.154 1.00 2.93 H new ATOM 0 HE1 PHE A 118 14.334 -9.219 -8.413 1.00 4.87 H new ATOM 0 HE2 PHE A 118 10.076 -9.133 -8.585 1.00 4.09 H new ATOM 0 HZ PHE A 118 12.250 -9.349 -9.718 1.00 5.04 H new ATOM 1897 N ASP A 119 10.824 -10.051 -1.850 1.00 1.32 N ATOM 1898 CA ASP A 119 10.221 -9.947 -0.529 1.00 1.46 C ATOM 1899 C ASP A 119 10.925 -10.835 0.490 1.00 1.35 C ATOM 1900 O ASP A 119 10.954 -10.532 1.679 1.00 1.48 O ATOM 1901 CB ASP A 119 8.758 -10.347 -0.644 1.00 1.79 C ATOM 1902 CG ASP A 119 8.592 -11.599 -1.483 1.00 2.76 C ATOM 1903 OD1 ASP A 119 8.678 -11.497 -2.737 1.00 3.36 O ATOM 1904 OD2 ASP A 119 8.398 -12.683 -0.909 1.00 3.34 O ATOM 0 H ASP A 119 10.211 -10.487 -2.539 1.00 1.32 H new ATOM 0 HA ASP A 119 10.317 -8.920 -0.177 1.00 1.46 H new ATOM 0 HB2 ASP A 119 8.346 -10.516 0.351 1.00 1.79 H new ATOM 0 HB3 ASP A 119 8.190 -9.530 -1.089 1.00 1.79 H new ATOM 1909 N ARG A 120 11.488 -11.931 0.003 1.00 1.21 N ATOM 1910 CA ARG A 120 12.196 -12.921 0.824 1.00 1.24 C ATOM 1911 C ARG A 120 13.387 -12.302 1.575 1.00 1.19 C ATOM 1912 O ARG A 120 13.998 -12.943 2.429 1.00 1.43 O ATOM 1913 CB ARG A 120 12.667 -14.090 -0.038 1.00 1.20 C ATOM 1914 CG ARG A 120 12.645 -15.420 0.697 1.00 1.72 C ATOM 1915 CD ARG A 120 13.820 -16.293 0.309 1.00 1.79 C ATOM 1916 NE ARG A 120 15.064 -15.769 0.852 1.00 2.33 N ATOM 1917 CZ ARG A 120 16.264 -16.036 0.356 1.00 2.86 C ATOM 1918 NH1 ARG A 120 16.389 -16.815 -0.708 1.00 2.85 N ATOM 1919 NH2 ARG A 120 17.341 -15.520 0.932 1.00 3.89 N ATOM 0 H ARG A 120 11.469 -12.168 -0.989 1.00 1.21 H new ATOM 0 HA ARG A 120 11.491 -13.286 1.570 1.00 1.24 H new ATOM 0 HB2 ARG A 120 12.033 -14.160 -0.922 1.00 1.20 H new ATOM 0 HB3 ARG A 120 13.680 -13.891 -0.387 1.00 1.20 H new ATOM 0 HG2 ARG A 120 12.663 -15.242 1.772 1.00 1.72 H new ATOM 0 HG3 ARG A 120 11.714 -15.943 0.476 1.00 1.72 H new ATOM 0 HD2 ARG A 120 13.659 -17.308 0.674 1.00 1.79 H new ATOM 0 HD3 ARG A 120 13.890 -16.352 -0.777 1.00 1.79 H new ATOM 0 HE ARG A 120 15.009 -15.157 1.666 1.00 2.33 H new ATOM 0 HH11 ARG A 120 15.560 -17.212 -1.149 1.00 2.85 H new ATOM 0 HH12 ARG A 120 17.315 -17.017 -1.086 1.00 2.85 H new ATOM 0 HH21 ARG A 120 17.243 -14.921 1.752 1.00 3.89 H new ATOM 0 HH22 ARG A 120 18.267 -15.722 0.555 1.00 3.89 H new ATOM 1933 N MET A 121 13.734 -11.079 1.196 1.00 1.00 N ATOM 1934 CA MET A 121 14.935 -10.367 1.650 1.00 1.06 C ATOM 1935 C MET A 121 14.984 -10.129 3.174 1.00 1.07 C ATOM 1936 O MET A 121 15.883 -9.432 3.664 1.00 1.04 O ATOM 1937 CB MET A 121 14.930 -9.010 0.974 1.00 1.20 C ATOM 1938 CG MET A 121 13.756 -8.159 1.439 1.00 1.99 C ATOM 1939 SD MET A 121 13.706 -6.539 0.672 1.00 2.92 S ATOM 1940 CE MET A 121 12.328 -5.816 1.556 1.00 3.79 C ATOM 0 H MET A 121 13.173 -10.532 0.543 1.00 1.00 H new ATOM 0 HA MET A 121 15.797 -10.983 1.396 1.00 1.06 H new ATOM 0 HB2 MET A 121 15.864 -8.492 1.189 1.00 1.20 H new ATOM 0 HB3 MET A 121 14.880 -9.141 -0.107 1.00 1.20 H new ATOM 0 HG2 MET A 121 12.826 -8.685 1.222 1.00 1.99 H new ATOM 0 HG3 MET A 121 13.809 -8.039 2.521 1.00 1.99 H new ATOM 0 HE1 MET A 121 12.312 -4.739 1.388 1.00 3.79 H new ATOM 0 HE2 MET A 121 11.396 -6.253 1.197 1.00 3.79 H new ATOM 0 HE3 MET A 121 12.435 -6.015 2.622 1.00 3.79 H new ATOM 1950 N GLY A 122 14.005 -10.667 3.887 1.00 1.37 N ATOM 1951 CA GLY A 122 13.937 -10.557 5.337 1.00 1.76 C ATOM 1952 C GLY A 122 15.259 -10.793 6.040 1.00 1.85 C ATOM 1953 O GLY A 122 16.192 -11.356 5.464 1.00 2.52 O ATOM 0 H GLY A 122 13.234 -11.193 3.476 1.00 1.37 H new ATOM 0 HA2 GLY A 122 13.571 -9.564 5.598 1.00 1.76 H new ATOM 0 HA3 GLY A 122 13.206 -11.274 5.711 1.00 1.76 H new ATOM 1957 N THR A 123 15.305 -10.384 7.300 1.00 1.75 N ATOM 1958 CA THR A 123 16.526 -10.349 8.092 1.00 1.77 C ATOM 1959 C THR A 123 17.314 -9.066 7.784 1.00 1.52 C ATOM 1960 O THR A 123 17.017 -8.022 8.358 1.00 1.46 O ATOM 1961 CB THR A 123 17.400 -11.612 7.908 1.00 1.97 C ATOM 1962 OG1 THR A 123 16.602 -12.792 8.103 1.00 2.59 O ATOM 1963 CG2 THR A 123 18.558 -11.629 8.895 1.00 2.27 C ATOM 0 H THR A 123 14.482 -10.062 7.809 1.00 1.75 H new ATOM 0 HA THR A 123 16.235 -10.342 9.142 1.00 1.77 H new ATOM 0 HB THR A 123 17.803 -11.595 6.895 1.00 1.97 H new ATOM 0 HG1 THR A 123 17.161 -13.588 7.983 1.00 2.59 H new ATOM 0 HG21 THR A 123 19.154 -12.529 8.741 1.00 2.27 H new ATOM 0 HG22 THR A 123 19.182 -10.749 8.739 1.00 2.27 H new ATOM 0 HG23 THR A 123 18.169 -11.622 9.913 1.00 2.27 H new ATOM 1971 N LYS A 124 18.258 -9.102 6.845 1.00 1.47 N ATOM 1972 CA LYS A 124 19.110 -7.934 6.613 1.00 1.38 C ATOM 1973 C LYS A 124 18.354 -6.822 5.877 1.00 1.17 C ATOM 1974 O LYS A 124 18.325 -5.666 6.322 1.00 1.15 O ATOM 1975 CB LYS A 124 20.386 -8.318 5.841 1.00 1.59 C ATOM 1976 CG LYS A 124 20.153 -8.745 4.399 1.00 2.09 C ATOM 1977 CD LYS A 124 21.460 -9.010 3.671 1.00 2.44 C ATOM 1978 CE LYS A 124 22.194 -10.207 4.251 1.00 2.99 C ATOM 1979 NZ LYS A 124 21.426 -11.465 4.080 1.00 3.51 N ATOM 0 H LYS A 124 18.451 -9.904 6.246 1.00 1.47 H new ATOM 0 HA LYS A 124 19.403 -7.552 7.591 1.00 1.38 H new ATOM 0 HB2 LYS A 124 21.068 -7.468 5.848 1.00 1.59 H new ATOM 0 HB3 LYS A 124 20.884 -9.131 6.370 1.00 1.59 H new ATOM 0 HG2 LYS A 124 19.538 -9.645 4.381 1.00 2.09 H new ATOM 0 HG3 LYS A 124 19.596 -7.968 3.875 1.00 2.09 H new ATOM 0 HD2 LYS A 124 21.259 -9.184 2.614 1.00 2.44 H new ATOM 0 HD3 LYS A 124 22.097 -8.128 3.733 1.00 2.44 H new ATOM 0 HE2 LYS A 124 23.165 -10.306 3.767 1.00 2.99 H new ATOM 0 HE3 LYS A 124 22.382 -10.038 5.311 1.00 2.99 H new ATOM 0 HZ1 LYS A 124 22.051 -12.279 4.250 1.00 3.51 H new ATOM 0 HZ2 LYS A 124 20.638 -11.486 4.758 1.00 3.51 H new ATOM 0 HZ3 LYS A 124 21.050 -11.513 3.111 1.00 3.51 H new ATOM 1993 N HIS A 125 17.701 -7.180 4.779 1.00 1.07 N ATOM 1994 CA HIS A 125 17.080 -6.196 3.914 1.00 1.00 C ATOM 1995 C HIS A 125 15.835 -5.644 4.588 1.00 0.90 C ATOM 1996 O HIS A 125 15.477 -4.487 4.405 1.00 0.87 O ATOM 1997 CB HIS A 125 16.737 -6.847 2.573 1.00 1.06 C ATOM 1998 CG HIS A 125 17.187 -6.085 1.361 1.00 1.44 C ATOM 1999 ND1 HIS A 125 16.869 -6.476 0.078 1.00 2.13 N ATOM 2000 CD2 HIS A 125 17.968 -4.986 1.231 1.00 1.99 C ATOM 2001 CE1 HIS A 125 17.436 -5.657 -0.785 1.00 2.68 C ATOM 2002 NE2 HIS A 125 18.109 -4.743 -0.115 1.00 2.60 N ATOM 0 H HIS A 125 17.590 -8.146 4.470 1.00 1.07 H new ATOM 0 HA HIS A 125 17.766 -5.369 3.732 1.00 1.00 H new ATOM 0 HB2 HIS A 125 17.184 -7.841 2.545 1.00 1.06 H new ATOM 0 HB3 HIS A 125 15.657 -6.981 2.518 1.00 1.06 H new ATOM 0 HD2 HIS A 125 18.400 -4.408 2.035 1.00 1.99 H new ATOM 0 HE1 HIS A 125 17.362 -5.724 -1.860 1.00 2.68 H new ATOM 0 HE2 HIS A 125 18.646 -3.980 -0.527 1.00 2.60 H new ATOM 2011 N ALA A 126 15.210 -6.480 5.405 1.00 0.94 N ATOM 2012 CA ALA A 126 14.008 -6.090 6.123 1.00 0.95 C ATOM 2013 C ALA A 126 14.344 -5.227 7.342 1.00 0.94 C ATOM 2014 O ALA A 126 13.527 -4.410 7.770 1.00 0.94 O ATOM 2015 CB ALA A 126 13.216 -7.326 6.517 1.00 1.10 C ATOM 0 H ALA A 126 15.518 -7.435 5.587 1.00 0.94 H new ATOM 0 HA ALA A 126 13.390 -5.481 5.463 1.00 0.95 H new ATOM 0 HB1 ALA A 126 12.317 -7.026 7.055 1.00 1.10 H new ATOM 0 HB2 ALA A 126 12.935 -7.879 5.621 1.00 1.10 H new ATOM 0 HB3 ALA A 126 13.827 -7.961 7.159 1.00 1.10 H new ATOM 2021 N LYS A 127 15.545 -5.393 7.898 1.00 1.02 N ATOM 2022 CA LYS A 127 15.986 -4.545 9.004 1.00 1.11 C ATOM 2023 C LYS A 127 16.224 -3.115 8.538 1.00 1.01 C ATOM 2024 O LYS A 127 15.860 -2.167 9.231 1.00 1.09 O ATOM 2025 CB LYS A 127 17.245 -5.101 9.672 1.00 1.31 C ATOM 2026 CG LYS A 127 16.953 -6.203 10.673 1.00 1.65 C ATOM 2027 CD LYS A 127 18.223 -6.719 11.323 1.00 2.14 C ATOM 2028 CE LYS A 127 17.922 -7.834 12.309 1.00 2.77 C ATOM 2029 NZ LYS A 127 17.008 -7.382 13.391 1.00 3.46 N ATOM 0 H LYS A 127 16.222 -6.098 7.605 1.00 1.02 H new ATOM 0 HA LYS A 127 15.185 -4.540 9.744 1.00 1.11 H new ATOM 0 HB2 LYS A 127 17.917 -5.485 8.904 1.00 1.31 H new ATOM 0 HB3 LYS A 127 17.769 -4.290 10.177 1.00 1.31 H new ATOM 0 HG2 LYS A 127 16.277 -5.827 11.441 1.00 1.65 H new ATOM 0 HG3 LYS A 127 16.441 -7.024 10.172 1.00 1.65 H new ATOM 0 HD2 LYS A 127 18.905 -7.084 10.555 1.00 2.14 H new ATOM 0 HD3 LYS A 127 18.729 -5.902 11.837 1.00 2.14 H new ATOM 0 HE2 LYS A 127 17.472 -8.675 11.781 1.00 2.77 H new ATOM 0 HE3 LYS A 127 18.853 -8.194 12.746 1.00 2.77 H new ATOM 0 HZ1 LYS A 127 17.025 -8.071 14.170 1.00 3.46 H new ATOM 0 HZ2 LYS A 127 17.318 -6.454 13.742 1.00 3.46 H new ATOM 0 HZ3 LYS A 127 16.040 -7.305 13.018 1.00 3.46 H new ATOM 2043 N ARG A 128 16.819 -2.950 7.363 1.00 0.92 N ATOM 2044 CA ARG A 128 16.978 -1.607 6.802 1.00 0.90 C ATOM 2045 C ARG A 128 15.629 -1.062 6.317 1.00 0.84 C ATOM 2046 O ARG A 128 15.421 0.147 6.252 1.00 0.88 O ATOM 2047 CB ARG A 128 18.053 -1.571 5.709 1.00 0.99 C ATOM 2048 CG ARG A 128 17.834 -2.527 4.550 1.00 1.07 C ATOM 2049 CD ARG A 128 19.111 -2.705 3.741 1.00 1.24 C ATOM 2050 NE ARG A 128 19.620 -1.436 3.225 1.00 1.56 N ATOM 2051 CZ ARG A 128 20.301 -1.311 2.087 1.00 1.76 C ATOM 2052 NH1 ARG A 128 20.663 -2.388 1.397 1.00 1.81 N ATOM 2053 NH2 ARG A 128 20.655 -0.107 1.656 1.00 2.35 N ATOM 0 H ARG A 128 17.192 -3.706 6.789 1.00 0.92 H new ATOM 0 HA ARG A 128 17.330 -0.946 7.594 1.00 0.90 H new ATOM 0 HB2 ARG A 128 18.113 -0.556 5.315 1.00 0.99 H new ATOM 0 HB3 ARG A 128 19.018 -1.794 6.164 1.00 0.99 H new ATOM 0 HG2 ARG A 128 17.502 -3.493 4.929 1.00 1.07 H new ATOM 0 HG3 ARG A 128 17.041 -2.147 3.906 1.00 1.07 H new ATOM 0 HD2 ARG A 128 19.872 -3.173 4.365 1.00 1.24 H new ATOM 0 HD3 ARG A 128 18.920 -3.383 2.909 1.00 1.24 H new ATOM 0 HE ARG A 128 19.443 -0.593 3.771 1.00 1.56 H new ATOM 0 HH11 ARG A 128 20.419 -3.318 1.738 1.00 1.81 H new ATOM 0 HH12 ARG A 128 21.184 -2.284 0.526 1.00 1.81 H new ATOM 0 HH21 ARG A 128 20.406 0.722 2.196 1.00 2.35 H new ATOM 0 HH22 ARG A 128 21.176 -0.010 0.785 1.00 2.35 H new ATOM 2067 N VAL A 129 14.718 -1.959 5.972 1.00 0.82 N ATOM 2068 CA VAL A 129 13.332 -1.579 5.696 1.00 0.87 C ATOM 2069 C VAL A 129 12.661 -1.017 6.956 1.00 0.86 C ATOM 2070 O VAL A 129 11.851 -0.084 6.890 1.00 0.90 O ATOM 2071 CB VAL A 129 12.527 -2.792 5.175 1.00 0.97 C ATOM 2072 CG1 VAL A 129 11.025 -2.571 5.318 1.00 1.20 C ATOM 2073 CG2 VAL A 129 12.891 -3.076 3.726 1.00 1.21 C ATOM 0 H VAL A 129 14.909 -2.956 5.875 1.00 0.82 H new ATOM 0 HA VAL A 129 13.344 -0.806 4.928 1.00 0.87 H new ATOM 0 HB VAL A 129 12.789 -3.658 5.783 1.00 0.97 H new ATOM 0 HG11 VAL A 129 10.491 -3.444 4.942 1.00 1.20 H new ATOM 0 HG12 VAL A 129 10.778 -2.420 6.369 1.00 1.20 H new ATOM 0 HG13 VAL A 129 10.731 -1.691 4.746 1.00 1.20 H new ATOM 0 HG21 VAL A 129 12.319 -3.932 3.368 1.00 1.21 H new ATOM 0 HG22 VAL A 129 12.659 -2.204 3.115 1.00 1.21 H new ATOM 0 HG23 VAL A 129 13.956 -3.296 3.655 1.00 1.21 H new ATOM 2083 N ARG A 130 13.045 -1.572 8.103 1.00 0.89 N ATOM 2084 CA ARG A 130 12.447 -1.241 9.398 1.00 0.99 C ATOM 2085 C ARG A 130 12.623 0.239 9.758 1.00 0.94 C ATOM 2086 O ARG A 130 11.940 0.744 10.648 1.00 1.08 O ATOM 2087 CB ARG A 130 13.077 -2.112 10.490 1.00 1.15 C ATOM 2088 CG ARG A 130 12.285 -2.158 11.789 1.00 1.71 C ATOM 2089 CD ARG A 130 11.051 -3.032 11.654 1.00 2.09 C ATOM 2090 NE ARG A 130 11.396 -4.415 11.327 1.00 2.63 N ATOM 2091 CZ ARG A 130 10.516 -5.339 10.939 1.00 3.39 C ATOM 2092 NH1 ARG A 130 9.228 -5.041 10.824 1.00 3.71 N ATOM 2093 NH2 ARG A 130 10.926 -6.568 10.667 1.00 4.24 N ATOM 0 H ARG A 130 13.786 -2.270 8.162 1.00 0.89 H new ATOM 0 HA ARG A 130 11.377 -1.437 9.326 1.00 0.99 H new ATOM 0 HB2 ARG A 130 13.188 -3.127 10.110 1.00 1.15 H new ATOM 0 HB3 ARG A 130 14.079 -1.740 10.702 1.00 1.15 H new ATOM 0 HG2 ARG A 130 12.918 -2.541 12.590 1.00 1.71 H new ATOM 0 HG3 ARG A 130 11.988 -1.148 12.072 1.00 1.71 H new ATOM 0 HD2 ARG A 130 10.486 -3.009 12.586 1.00 2.09 H new ATOM 0 HD3 ARG A 130 10.402 -2.626 10.878 1.00 2.09 H new ATOM 0 HE ARG A 130 12.375 -4.691 11.401 1.00 2.63 H new ATOM 0 HH11 ARG A 130 8.902 -4.097 11.033 1.00 3.71 H new ATOM 0 HH12 ARG A 130 8.564 -5.756 10.526 1.00 3.71 H new ATOM 0 HH21 ARG A 130 11.914 -6.807 10.754 1.00 4.24 H new ATOM 0 HH22 ARG A 130 10.254 -7.276 10.370 1.00 4.24 H new ATOM 2107 N ASN A 131 13.526 0.926 9.053 1.00 0.84 N ATOM 2108 CA ASN A 131 13.884 2.315 9.369 1.00 0.91 C ATOM 2109 C ASN A 131 12.659 3.214 9.513 1.00 0.96 C ATOM 2110 O ASN A 131 12.478 3.868 10.541 1.00 1.12 O ATOM 2111 CB ASN A 131 14.789 2.912 8.283 1.00 0.97 C ATOM 2112 CG ASN A 131 16.184 2.320 8.252 1.00 1.66 C ATOM 2113 OD1 ASN A 131 16.682 1.804 9.253 1.00 2.36 O ATOM 2114 ND2 ASN A 131 16.835 2.415 7.098 1.00 2.18 N ATOM 0 H ASN A 131 14.027 0.540 8.253 1.00 0.84 H new ATOM 0 HA ASN A 131 14.410 2.278 10.323 1.00 0.91 H new ATOM 0 HB2 ASN A 131 14.320 2.763 7.310 1.00 0.97 H new ATOM 0 HB3 ASN A 131 14.865 3.988 8.438 1.00 0.97 H new ATOM 0 HD21 ASN A 131 17.785 2.053 7.017 1.00 2.18 H new ATOM 0 HD22 ASN A 131 16.385 2.850 6.293 1.00 2.18 H new ATOM 2121 N GLY A 132 11.815 3.254 8.491 1.00 1.02 N ATOM 2122 CA GLY A 132 10.675 4.150 8.533 1.00 1.32 C ATOM 2123 C GLY A 132 9.421 3.572 7.908 1.00 1.17 C ATOM 2124 O GLY A 132 8.341 4.142 8.045 1.00 1.33 O ATOM 0 H GLY A 132 11.896 2.691 7.644 1.00 1.02 H new ATOM 0 HA2 GLY A 132 10.466 4.409 9.571 1.00 1.32 H new ATOM 0 HA3 GLY A 132 10.933 5.076 8.019 1.00 1.32 H new ATOM 2128 N MET A 133 9.554 2.445 7.224 1.00 1.15 N ATOM 2129 CA MET A 133 8.421 1.841 6.528 1.00 1.35 C ATOM 2130 C MET A 133 7.538 1.081 7.512 1.00 1.27 C ATOM 2131 O MET A 133 6.330 0.958 7.313 1.00 1.52 O ATOM 2132 CB MET A 133 8.919 0.896 5.434 1.00 1.72 C ATOM 2133 CG MET A 133 7.817 0.346 4.540 1.00 2.53 C ATOM 2134 SD MET A 133 7.034 1.623 3.536 1.00 3.54 S ATOM 2135 CE MET A 133 6.037 0.623 2.433 1.00 4.43 C ATOM 0 H MET A 133 10.430 1.930 7.135 1.00 1.15 H new ATOM 0 HA MET A 133 7.831 2.635 6.069 1.00 1.35 H new ATOM 0 HB2 MET A 133 9.645 1.424 4.815 1.00 1.72 H new ATOM 0 HB3 MET A 133 9.444 0.062 5.900 1.00 1.72 H new ATOM 0 HG2 MET A 133 8.234 -0.420 3.886 1.00 2.53 H new ATOM 0 HG3 MET A 133 7.061 -0.139 5.158 1.00 2.53 H new ATOM 0 HE1 MET A 133 5.617 1.254 1.650 1.00 4.43 H new ATOM 0 HE2 MET A 133 6.658 -0.151 1.982 1.00 4.43 H new ATOM 0 HE3 MET A 133 5.228 0.156 2.996 1.00 4.43 H new ATOM 2145 N ASP A 134 8.159 0.589 8.578 1.00 1.15 N ATOM 2146 CA ASP A 134 7.464 -0.192 9.602 1.00 1.14 C ATOM 2147 C ASP A 134 6.458 0.670 10.361 1.00 0.99 C ATOM 2148 O ASP A 134 5.474 0.173 10.907 1.00 1.33 O ATOM 2149 CB ASP A 134 8.482 -0.786 10.576 1.00 1.38 C ATOM 2150 CG ASP A 134 7.851 -1.682 11.624 1.00 1.59 C ATOM 2151 OD1 ASP A 134 7.659 -2.884 11.352 1.00 2.13 O ATOM 2152 OD2 ASP A 134 7.510 -1.177 12.711 1.00 1.64 O ATOM 0 H ASP A 134 9.154 0.718 8.759 1.00 1.15 H new ATOM 0 HA ASP A 134 6.918 -0.997 9.110 1.00 1.14 H new ATOM 0 HB2 ASP A 134 9.221 -1.358 10.015 1.00 1.38 H new ATOM 0 HB3 ASP A 134 9.016 0.024 11.073 1.00 1.38 H new ATOM 2157 N LYS A 135 6.703 1.970 10.371 1.00 0.98 N ATOM 2158 CA LYS A 135 5.856 2.904 11.094 1.00 1.39 C ATOM 2159 C LYS A 135 4.916 3.631 10.140 1.00 1.35 C ATOM 2160 O LYS A 135 4.469 4.740 10.422 1.00 1.83 O ATOM 2161 CB LYS A 135 6.724 3.916 11.845 1.00 1.91 C ATOM 2162 CG LYS A 135 7.583 3.299 12.940 1.00 2.47 C ATOM 2163 CD LYS A 135 6.735 2.654 14.027 1.00 2.84 C ATOM 2164 CE LYS A 135 5.835 3.669 14.714 1.00 3.35 C ATOM 2165 NZ LYS A 135 5.034 3.053 15.801 1.00 3.79 N ATOM 0 H LYS A 135 7.487 2.404 9.883 1.00 0.98 H new ATOM 0 HA LYS A 135 5.254 2.344 11.809 1.00 1.39 H new ATOM 0 HB2 LYS A 135 7.372 4.424 11.131 1.00 1.91 H new ATOM 0 HB3 LYS A 135 6.079 4.676 12.287 1.00 1.91 H new ATOM 0 HG2 LYS A 135 8.246 2.551 12.504 1.00 2.47 H new ATOM 0 HG3 LYS A 135 8.217 4.068 13.382 1.00 2.47 H new ATOM 0 HD2 LYS A 135 6.125 1.863 13.591 1.00 2.84 H new ATOM 0 HD3 LYS A 135 7.385 2.185 14.766 1.00 2.84 H new ATOM 0 HE2 LYS A 135 6.444 4.475 15.124 1.00 3.35 H new ATOM 0 HE3 LYS A 135 5.166 4.117 13.979 1.00 3.35 H new ATOM 0 HZ1 LYS A 135 4.434 3.778 16.244 1.00 3.79 H new ATOM 0 HZ2 LYS A 135 4.434 2.301 15.406 1.00 3.79 H new ATOM 0 HZ3 LYS A 135 5.672 2.648 16.516 1.00 3.79 H new ATOM 2179 N GLY A 136 4.606 3.004 9.015 1.00 0.92 N ATOM 2180 CA GLY A 136 3.759 3.657 8.042 1.00 0.92 C ATOM 2181 C GLY A 136 2.737 2.737 7.409 1.00 0.75 C ATOM 2182 O GLY A 136 1.592 2.702 7.839 1.00 0.65 O ATOM 0 H GLY A 136 4.921 2.068 8.761 1.00 0.92 H new ATOM 0 HA2 GLY A 136 3.240 4.486 8.524 1.00 0.92 H new ATOM 0 HA3 GLY A 136 4.384 4.085 7.258 1.00 0.92 H new ATOM 2186 N TRP A 137 3.149 1.982 6.399 1.00 0.82 N ATOM 2187 CA TRP A 137 2.212 1.201 5.585 1.00 0.79 C ATOM 2188 C TRP A 137 1.496 0.091 6.377 1.00 0.71 C ATOM 2189 O TRP A 137 0.287 -0.078 6.221 1.00 0.64 O ATOM 2190 CB TRP A 137 2.920 0.635 4.357 1.00 1.04 C ATOM 2191 CG TRP A 137 1.993 0.004 3.372 1.00 1.02 C ATOM 2192 CD1 TRP A 137 1.116 0.648 2.559 1.00 1.71 C ATOM 2193 CD2 TRP A 137 1.861 -1.394 3.086 1.00 1.47 C ATOM 2194 NE1 TRP A 137 0.442 -0.259 1.788 1.00 1.71 N ATOM 2195 CE2 TRP A 137 0.879 -1.520 2.089 1.00 1.50 C ATOM 2196 CE3 TRP A 137 2.476 -2.549 3.575 1.00 2.57 C ATOM 2197 CZ2 TRP A 137 0.497 -2.754 1.570 1.00 2.15 C ATOM 2198 CZ3 TRP A 137 2.095 -3.775 3.062 1.00 3.39 C ATOM 2199 CH2 TRP A 137 1.116 -3.868 2.066 1.00 3.08 C ATOM 0 H TRP A 137 4.126 1.890 6.120 1.00 0.82 H new ATOM 0 HA TRP A 137 1.429 1.887 5.260 1.00 0.79 H new ATOM 0 HB2 TRP A 137 3.471 1.436 3.864 1.00 1.04 H new ATOM 0 HB3 TRP A 137 3.653 -0.105 4.679 1.00 1.04 H new ATOM 0 HD1 TRP A 137 0.972 1.718 2.526 1.00 1.71 H new ATOM 0 HE1 TRP A 137 -0.273 -0.031 1.098 1.00 1.71 H new ATOM 0 HE3 TRP A 137 3.236 -2.485 4.340 1.00 2.57 H new ATOM 0 HZ2 TRP A 137 -0.260 -2.829 0.804 1.00 2.15 H new ATOM 0 HZ3 TRP A 137 2.560 -4.675 3.436 1.00 3.39 H new ATOM 0 HH2 TRP A 137 0.844 -4.840 1.681 1.00 3.08 H new ATOM 2210 N PRO A 138 2.199 -0.698 7.221 1.00 0.77 N ATOM 2211 CA PRO A 138 1.539 -1.668 8.108 1.00 0.77 C ATOM 2212 C PRO A 138 0.517 -0.986 9.018 1.00 0.68 C ATOM 2213 O PRO A 138 -0.529 -1.551 9.342 1.00 0.66 O ATOM 2214 CB PRO A 138 2.688 -2.259 8.935 1.00 0.92 C ATOM 2215 CG PRO A 138 3.826 -1.317 8.744 1.00 0.98 C ATOM 2216 CD PRO A 138 3.661 -0.748 7.369 1.00 0.92 C ATOM 0 HA PRO A 138 0.984 -2.423 7.551 1.00 0.77 H new ATOM 0 HB2 PRO A 138 2.416 -2.340 9.987 1.00 0.92 H new ATOM 0 HB3 PRO A 138 2.945 -3.262 8.594 1.00 0.92 H new ATOM 0 HG2 PRO A 138 3.812 -0.529 9.497 1.00 0.98 H new ATOM 0 HG3 PRO A 138 4.781 -1.833 8.841 1.00 0.98 H new ATOM 0 HD2 PRO A 138 4.112 0.240 7.282 1.00 0.92 H new ATOM 0 HD3 PRO A 138 4.125 -1.378 6.610 1.00 0.92 H new ATOM 2224 N THR A 139 0.834 0.242 9.402 1.00 0.67 N ATOM 2225 CA THR A 139 -0.054 1.076 10.186 1.00 0.63 C ATOM 2226 C THR A 139 -1.225 1.532 9.315 1.00 0.54 C ATOM 2227 O THR A 139 -2.385 1.563 9.750 1.00 0.54 O ATOM 2228 CB THR A 139 0.731 2.291 10.724 1.00 0.67 C ATOM 2229 OG1 THR A 139 1.777 1.842 11.595 1.00 0.77 O ATOM 2230 CG2 THR A 139 -0.164 3.269 11.461 1.00 0.70 C ATOM 0 H THR A 139 1.723 0.688 9.174 1.00 0.67 H new ATOM 0 HA THR A 139 -0.448 0.511 11.031 1.00 0.63 H new ATOM 0 HB THR A 139 1.155 2.815 9.867 1.00 0.67 H new ATOM 0 HG1 THR A 139 2.275 2.615 11.934 1.00 0.77 H new ATOM 0 HG21 THR A 139 0.432 4.107 11.821 1.00 0.70 H new ATOM 0 HG22 THR A 139 -0.936 3.637 10.785 1.00 0.70 H new ATOM 0 HG23 THR A 139 -0.633 2.767 12.307 1.00 0.70 H new ATOM 2238 N ILE A 140 -0.902 1.845 8.062 1.00 0.53 N ATOM 2239 CA ILE A 140 -1.892 2.230 7.076 1.00 0.52 C ATOM 2240 C ILE A 140 -2.973 1.172 6.962 1.00 0.46 C ATOM 2241 O ILE A 140 -4.151 1.490 7.016 1.00 0.49 O ATOM 2242 CB ILE A 140 -1.266 2.456 5.679 1.00 0.58 C ATOM 2243 CG1 ILE A 140 -0.400 3.721 5.663 1.00 0.64 C ATOM 2244 CG2 ILE A 140 -2.340 2.523 4.603 1.00 0.63 C ATOM 2245 CD1 ILE A 140 0.312 3.943 4.343 1.00 0.71 C ATOM 0 H ILE A 140 0.055 1.837 7.708 1.00 0.53 H new ATOM 0 HA ILE A 140 -2.324 3.170 7.419 1.00 0.52 H new ATOM 0 HB ILE A 140 -0.623 1.603 5.461 1.00 0.58 H new ATOM 0 HG12 ILE A 140 -1.028 4.585 5.879 1.00 0.64 H new ATOM 0 HG13 ILE A 140 0.340 3.657 6.461 1.00 0.64 H new ATOM 0 HG21 ILE A 140 -1.872 2.682 3.631 1.00 0.63 H new ATOM 0 HG22 ILE A 140 -2.899 1.587 4.588 1.00 0.63 H new ATOM 0 HG23 ILE A 140 -3.020 3.348 4.818 1.00 0.63 H new ATOM 0 HD11 ILE A 140 0.907 4.854 4.399 1.00 0.71 H new ATOM 0 HD12 ILE A 140 0.965 3.096 4.135 1.00 0.71 H new ATOM 0 HD13 ILE A 140 -0.424 4.039 3.544 1.00 0.71 H new ATOM 2257 N LEU A 141 -2.560 -0.085 6.836 1.00 0.43 N ATOM 2258 CA LEU A 141 -3.494 -1.188 6.636 1.00 0.40 C ATOM 2259 C LEU A 141 -4.507 -1.293 7.774 1.00 0.41 C ATOM 2260 O LEU A 141 -5.635 -1.746 7.568 1.00 0.43 O ATOM 2261 CB LEU A 141 -2.737 -2.507 6.489 1.00 0.41 C ATOM 2262 CG LEU A 141 -1.784 -2.577 5.299 1.00 0.46 C ATOM 2263 CD1 LEU A 141 -1.173 -3.965 5.196 1.00 0.54 C ATOM 2264 CD2 LEU A 141 -2.512 -2.206 4.012 1.00 0.46 C ATOM 0 H LEU A 141 -1.580 -0.366 6.869 1.00 0.43 H new ATOM 0 HA LEU A 141 -4.045 -0.982 5.718 1.00 0.40 H new ATOM 0 HB2 LEU A 141 -2.168 -2.685 7.401 1.00 0.41 H new ATOM 0 HB3 LEU A 141 -3.462 -3.316 6.402 1.00 0.41 H new ATOM 0 HG LEU A 141 -0.978 -1.859 5.451 1.00 0.46 H new ATOM 0 HD11 LEU A 141 -0.495 -4.002 4.343 1.00 0.54 H new ATOM 0 HD12 LEU A 141 -0.620 -4.188 6.109 1.00 0.54 H new ATOM 0 HD13 LEU A 141 -1.965 -4.702 5.062 1.00 0.54 H new ATOM 0 HD21 LEU A 141 -1.818 -2.261 3.173 1.00 0.46 H new ATOM 0 HD22 LEU A 141 -3.336 -2.900 3.847 1.00 0.46 H new ATOM 0 HD23 LEU A 141 -2.902 -1.192 4.094 1.00 0.46 H new ATOM 2276 N GLN A 142 -4.105 -0.875 8.967 1.00 0.45 N ATOM 2277 CA GLN A 142 -4.999 -0.915 10.116 1.00 0.51 C ATOM 2278 C GLN A 142 -6.073 0.159 9.976 1.00 0.49 C ATOM 2279 O GLN A 142 -7.269 -0.129 10.045 1.00 0.48 O ATOM 2280 CB GLN A 142 -4.219 -0.727 11.422 1.00 0.61 C ATOM 2281 CG GLN A 142 -3.082 -1.723 11.619 1.00 0.95 C ATOM 2282 CD GLN A 142 -3.525 -3.171 11.468 1.00 0.83 C ATOM 2283 OE1 GLN A 142 -3.959 -3.806 12.428 1.00 1.50 O ATOM 2284 NE2 GLN A 142 -3.391 -3.708 10.266 1.00 0.72 N ATOM 0 H GLN A 142 -3.174 -0.507 9.163 1.00 0.45 H new ATOM 0 HA GLN A 142 -5.478 -1.893 10.149 1.00 0.51 H new ATOM 0 HB2 GLN A 142 -3.810 0.283 11.446 1.00 0.61 H new ATOM 0 HB3 GLN A 142 -4.910 -0.811 12.260 1.00 0.61 H new ATOM 0 HG2 GLN A 142 -2.294 -1.513 10.896 1.00 0.95 H new ATOM 0 HG3 GLN A 142 -2.651 -1.582 12.610 1.00 0.95 H new ATOM 0 HE21 GLN A 142 -3.027 -3.148 9.495 1.00 0.72 H new ATOM 0 HE22 GLN A 142 -3.652 -4.682 10.111 1.00 0.72 H new ATOM 2293 N SER A 143 -5.644 1.396 9.744 1.00 0.52 N ATOM 2294 CA SER A 143 -6.582 2.500 9.569 1.00 0.55 C ATOM 2295 C SER A 143 -7.325 2.381 8.235 1.00 0.50 C ATOM 2296 O SER A 143 -8.414 2.922 8.075 1.00 0.53 O ATOM 2297 CB SER A 143 -5.846 3.835 9.660 1.00 0.64 C ATOM 2298 OG SER A 143 -5.149 3.941 10.890 1.00 1.47 O ATOM 0 H SER A 143 -4.661 1.658 9.673 1.00 0.52 H new ATOM 0 HA SER A 143 -7.322 2.454 10.368 1.00 0.55 H new ATOM 0 HB2 SER A 143 -5.145 3.927 8.830 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.558 4.655 9.568 1.00 0.64 H new ATOM 0 HG SER A 143 -4.683 4.802 10.929 1.00 1.47 H new ATOM 2304 N PHE A 144 -6.717 1.678 7.287 1.00 0.47 N ATOM 2305 CA PHE A 144 -7.336 1.358 6.006 1.00 0.45 C ATOM 2306 C PHE A 144 -8.630 0.585 6.227 1.00 0.41 C ATOM 2307 O PHE A 144 -9.695 0.987 5.761 1.00 0.41 O ATOM 2308 CB PHE A 144 -6.341 0.528 5.179 1.00 0.47 C ATOM 2309 CG PHE A 144 -6.856 0.015 3.862 1.00 0.42 C ATOM 2310 CD1 PHE A 144 -6.823 0.819 2.735 1.00 0.54 C ATOM 2311 CD2 PHE A 144 -7.392 -1.254 3.759 1.00 0.42 C ATOM 2312 CE1 PHE A 144 -7.316 0.363 1.527 1.00 0.55 C ATOM 2313 CE2 PHE A 144 -7.881 -1.716 2.553 1.00 0.41 C ATOM 2314 CZ PHE A 144 -7.764 -0.955 1.423 1.00 0.43 C ATOM 0 H PHE A 144 -5.771 1.310 7.387 1.00 0.47 H new ATOM 0 HA PHE A 144 -7.582 2.274 5.469 1.00 0.45 H new ATOM 0 HB2 PHE A 144 -5.457 1.137 4.990 1.00 0.47 H new ATOM 0 HB3 PHE A 144 -6.019 -0.323 5.779 1.00 0.47 H new ATOM 0 HD1 PHE A 144 -6.407 1.814 2.801 1.00 0.54 H new ATOM 0 HD2 PHE A 144 -7.429 -1.891 4.630 1.00 0.42 H new ATOM 0 HE1 PHE A 144 -7.354 1.021 0.671 1.00 0.55 H new ATOM 0 HE2 PHE A 144 -8.358 -2.683 2.502 1.00 0.41 H new ATOM 0 HZ PHE A 144 -8.016 -1.370 0.458 1.00 0.43 H new ATOM 2324 N GLN A 145 -8.528 -0.508 6.972 1.00 0.38 N ATOM 2325 CA GLN A 145 -9.686 -1.337 7.269 1.00 0.37 C ATOM 2326 C GLN A 145 -10.681 -0.595 8.147 1.00 0.39 C ATOM 2327 O GLN A 145 -11.884 -0.794 8.023 1.00 0.45 O ATOM 2328 CB GLN A 145 -9.248 -2.627 7.954 1.00 0.41 C ATOM 2329 CG GLN A 145 -8.505 -3.566 7.028 1.00 0.54 C ATOM 2330 CD GLN A 145 -7.760 -4.661 7.766 1.00 0.77 C ATOM 2331 OE1 GLN A 145 -8.291 -5.750 7.987 1.00 1.66 O ATOM 2332 NE2 GLN A 145 -6.527 -4.375 8.158 1.00 0.73 N ATOM 0 H GLN A 145 -7.655 -0.840 7.381 1.00 0.38 H new ATOM 0 HA GLN A 145 -10.177 -1.580 6.327 1.00 0.37 H new ATOM 0 HB2 GLN A 145 -8.610 -2.382 8.803 1.00 0.41 H new ATOM 0 HB3 GLN A 145 -10.126 -3.137 8.352 1.00 0.41 H new ATOM 0 HG2 GLN A 145 -9.214 -4.020 6.335 1.00 0.54 H new ATOM 0 HG3 GLN A 145 -7.797 -2.992 6.430 1.00 0.54 H new ATOM 0 HE21 GLN A 145 -6.126 -3.460 7.953 1.00 0.73 H new ATOM 0 HE22 GLN A 145 -5.979 -5.070 8.664 1.00 0.73 H new ATOM 2341 N ASP A 146 -10.178 0.264 9.023 1.00 0.40 N ATOM 2342 CA ASP A 146 -11.051 0.993 9.943 1.00 0.46 C ATOM 2343 C ASP A 146 -11.775 2.135 9.239 1.00 0.45 C ATOM 2344 O ASP A 146 -12.984 2.282 9.403 1.00 0.48 O ATOM 2345 CB ASP A 146 -10.289 1.529 11.151 1.00 0.56 C ATOM 2346 CG ASP A 146 -11.234 2.104 12.191 1.00 0.98 C ATOM 2347 OD1 ASP A 146 -12.018 1.339 12.787 1.00 1.21 O ATOM 2348 OD2 ASP A 146 -11.187 3.333 12.430 1.00 1.46 O ATOM 0 H ASP A 146 -9.184 0.474 9.119 1.00 0.40 H new ATOM 0 HA ASP A 146 -11.791 0.276 10.299 1.00 0.46 H new ATOM 0 HB2 ASP A 146 -9.700 0.728 11.596 1.00 0.56 H new ATOM 0 HB3 ASP A 146 -9.588 2.299 10.829 1.00 0.56 H new ATOM 2353 N LYS A 147 -11.048 2.949 8.465 1.00 0.46 N ATOM 2354 CA LYS A 147 -11.687 3.992 7.664 1.00 0.51 C ATOM 2355 C LYS A 147 -12.777 3.370 6.791 1.00 0.48 C ATOM 2356 O LYS A 147 -13.906 3.861 6.743 1.00 0.57 O ATOM 2357 CB LYS A 147 -10.640 4.707 6.791 1.00 0.58 C ATOM 2358 CG LYS A 147 -11.062 6.090 6.293 1.00 1.22 C ATOM 2359 CD LYS A 147 -12.190 6.027 5.274 1.00 1.82 C ATOM 2360 CE LYS A 147 -12.733 7.412 4.958 1.00 2.54 C ATOM 2361 NZ LYS A 147 -11.739 8.262 4.251 1.00 3.23 N ATOM 0 H LYS A 147 -10.033 2.905 8.378 1.00 0.46 H new ATOM 0 HA LYS A 147 -12.141 4.728 8.327 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.717 4.807 7.363 1.00 0.58 H new ATOM 0 HB3 LYS A 147 -10.415 4.079 5.929 1.00 0.58 H new ATOM 0 HG2 LYS A 147 -11.378 6.697 7.142 1.00 1.22 H new ATOM 0 HG3 LYS A 147 -10.202 6.589 5.847 1.00 1.22 H new ATOM 0 HD2 LYS A 147 -11.829 5.559 4.358 1.00 1.82 H new ATOM 0 HD3 LYS A 147 -12.994 5.399 5.658 1.00 1.82 H new ATOM 0 HE2 LYS A 147 -13.628 7.317 4.344 1.00 2.54 H new ATOM 0 HE3 LYS A 147 -13.033 7.902 5.884 1.00 2.54 H new ATOM 0 HZ1 LYS A 147 -12.137 9.211 4.103 1.00 3.23 H new ATOM 0 HZ2 LYS A 147 -10.874 8.335 4.824 1.00 3.23 H new ATOM 0 HZ3 LYS A 147 -11.509 7.835 3.331 1.00 3.23 H new ATOM 2375 N ILE A 148 -12.436 2.270 6.135 1.00 0.40 N ATOM 2376 CA ILE A 148 -13.372 1.563 5.273 1.00 0.39 C ATOM 2377 C ILE A 148 -14.504 0.925 6.079 1.00 0.40 C ATOM 2378 O ILE A 148 -15.638 0.826 5.608 1.00 0.43 O ATOM 2379 CB ILE A 148 -12.644 0.494 4.435 1.00 0.36 C ATOM 2380 CG1 ILE A 148 -11.764 1.166 3.381 1.00 0.40 C ATOM 2381 CG2 ILE A 148 -13.630 -0.461 3.782 1.00 0.41 C ATOM 2382 CD1 ILE A 148 -11.001 0.190 2.516 1.00 0.40 C ATOM 0 H ILE A 148 -11.510 1.845 6.184 1.00 0.40 H new ATOM 0 HA ILE A 148 -13.812 2.297 4.598 1.00 0.39 H new ATOM 0 HB ILE A 148 -12.012 -0.092 5.102 1.00 0.36 H new ATOM 0 HG12 ILE A 148 -12.389 1.791 2.744 1.00 0.40 H new ATOM 0 HG13 ILE A 148 -11.055 1.827 3.880 1.00 0.40 H new ATOM 0 HG21 ILE A 148 -13.085 -1.203 3.198 1.00 0.41 H new ATOM 0 HG22 ILE A 148 -14.215 -0.963 4.553 1.00 0.41 H new ATOM 0 HG23 ILE A 148 -14.298 0.098 3.126 1.00 0.41 H new ATOM 0 HD11 ILE A 148 -10.399 0.739 1.792 1.00 0.40 H new ATOM 0 HD12 ILE A 148 -10.349 -0.419 3.142 1.00 0.40 H new ATOM 0 HD13 ILE A 148 -11.704 -0.455 1.989 1.00 0.40 H new ATOM 2394 N ASP A 149 -14.196 0.503 7.295 1.00 0.40 N ATOM 2395 CA ASP A 149 -15.198 -0.065 8.191 1.00 0.46 C ATOM 2396 C ASP A 149 -16.302 0.957 8.449 1.00 0.53 C ATOM 2397 O ASP A 149 -17.472 0.617 8.593 1.00 0.60 O ATOM 2398 CB ASP A 149 -14.538 -0.486 9.509 1.00 0.50 C ATOM 2399 CG ASP A 149 -15.481 -1.196 10.456 1.00 0.57 C ATOM 2400 OD1 ASP A 149 -15.836 -2.362 10.184 1.00 0.65 O ATOM 2401 OD2 ASP A 149 -15.847 -0.605 11.492 1.00 0.71 O ATOM 0 H ASP A 149 -13.256 0.542 7.688 1.00 0.40 H new ATOM 0 HA ASP A 149 -15.640 -0.946 7.725 1.00 0.46 H new ATOM 0 HB2 ASP A 149 -13.694 -1.140 9.291 1.00 0.50 H new ATOM 0 HB3 ASP A 149 -14.136 0.398 10.004 1.00 0.50 H new ATOM 2406 N GLU A 150 -15.909 2.221 8.461 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.834 3.322 8.673 1.00 0.69 C ATOM 2408 C GLU A 150 -17.591 3.660 7.389 1.00 0.72 C ATOM 2409 O GLU A 150 -18.620 4.326 7.425 1.00 0.89 O ATOM 2410 CB GLU A 150 -16.083 4.551 9.185 1.00 0.79 C ATOM 2411 CG GLU A 150 -15.139 4.233 10.328 1.00 0.86 C ATOM 2412 CD GLU A 150 -14.736 5.445 11.132 1.00 1.09 C ATOM 2413 OE1 GLU A 150 -14.289 6.448 10.542 1.00 1.59 O ATOM 2414 OE2 GLU A 150 -14.862 5.389 12.373 1.00 1.39 O ATOM 0 H GLU A 150 -14.941 2.512 8.324 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.562 3.014 9.423 1.00 0.69 H new ATOM 0 HB2 GLU A 150 -15.516 4.992 8.365 1.00 0.79 H new ATOM 0 HB3 GLU A 150 -16.804 5.300 9.513 1.00 0.79 H new ATOM 0 HG2 GLU A 150 -15.614 3.509 10.990 1.00 0.86 H new ATOM 0 HG3 GLU A 150 -14.243 3.758 9.927 1.00 0.86 H new ATOM 2421 N GLU A 151 -17.069 3.206 6.258 1.00 0.65 N ATOM 2422 CA GLU A 151 -17.650 3.526 4.957 1.00 0.76 C ATOM 2423 C GLU A 151 -18.929 2.738 4.683 1.00 0.79 C ATOM 2424 O GLU A 151 -19.747 3.141 3.853 1.00 0.95 O ATOM 2425 CB GLU A 151 -16.636 3.268 3.843 1.00 0.83 C ATOM 2426 CG GLU A 151 -15.413 4.165 3.923 1.00 0.97 C ATOM 2427 CD GLU A 151 -15.757 5.629 3.750 1.00 1.67 C ATOM 2428 OE1 GLU A 151 -16.223 6.247 4.725 1.00 2.34 O ATOM 2429 OE2 GLU A 151 -15.559 6.169 2.641 1.00 1.78 O ATOM 0 H GLU A 151 -16.241 2.612 6.213 1.00 0.65 H new ATOM 0 HA GLU A 151 -17.912 4.584 4.977 1.00 0.76 H new ATOM 0 HB2 GLU A 151 -16.317 2.227 3.886 1.00 0.83 H new ATOM 0 HB3 GLU A 151 -17.122 3.413 2.878 1.00 0.83 H new ATOM 0 HG2 GLU A 151 -14.923 4.021 4.886 1.00 0.97 H new ATOM 0 HG3 GLU A 151 -14.698 3.869 3.155 1.00 0.97 H new ATOM 2436 N GLY A 152 -19.101 1.613 5.365 1.00 0.83 N ATOM 2437 CA GLY A 152 -20.287 0.808 5.142 1.00 0.97 C ATOM 2438 C GLY A 152 -20.450 -0.313 6.147 1.00 0.89 C ATOM 2439 O GLY A 152 -20.611 -1.476 5.763 1.00 1.19 O ATOM 0 H GLY A 152 -18.450 1.247 6.060 1.00 0.83 H new ATOM 0 HA2 GLY A 152 -21.166 1.451 5.180 1.00 0.97 H new ATOM 0 HA3 GLY A 152 -20.246 0.384 4.139 1.00 0.97 H new ATOM 2443 N ALA A 153 -20.423 0.038 7.424 1.00 0.84 N ATOM 2444 CA ALA A 153 -20.582 -0.928 8.504 1.00 0.94 C ATOM 2445 C ALA A 153 -20.691 -0.215 9.848 1.00 0.98 C ATOM 2446 O ALA A 153 -21.638 -0.430 10.604 1.00 1.24 O ATOM 2447 CB ALA A 153 -19.421 -1.913 8.527 1.00 0.96 C ATOM 0 H ALA A 153 -20.291 0.998 7.742 1.00 0.84 H new ATOM 0 HA ALA A 153 -21.502 -1.484 8.325 1.00 0.94 H new ATOM 0 HB1 ALA A 153 -19.563 -2.623 9.341 1.00 0.96 H new ATOM 0 HB2 ALA A 153 -19.381 -2.450 7.580 1.00 0.96 H new ATOM 0 HB3 ALA A 153 -18.487 -1.371 8.677 1.00 0.96 H new ATOM 2453 N LYS A 154 -19.716 0.636 10.131 1.00 0.98 N ATOM 2454 CA LYS A 154 -19.651 1.340 11.405 1.00 1.03 C ATOM 2455 C LYS A 154 -20.363 2.692 11.337 1.00 1.16 C ATOM 2456 O LYS A 154 -21.378 2.910 11.999 1.00 1.47 O ATOM 2457 CB LYS A 154 -18.190 1.563 11.805 1.00 0.93 C ATOM 2458 CG LYS A 154 -18.025 2.139 13.199 1.00 1.05 C ATOM 2459 CD LYS A 154 -16.721 2.907 13.348 1.00 1.04 C ATOM 2460 CE LYS A 154 -15.494 2.036 13.122 1.00 0.92 C ATOM 2461 NZ LYS A 154 -14.242 2.811 13.330 1.00 1.30 N ATOM 0 H LYS A 154 -18.953 0.857 9.491 1.00 0.98 H new ATOM 0 HA LYS A 154 -20.153 0.722 12.149 1.00 1.03 H new ATOM 0 HB2 LYS A 154 -17.657 0.614 11.747 1.00 0.93 H new ATOM 0 HB3 LYS A 154 -17.723 2.235 11.085 1.00 0.93 H new ATOM 0 HG2 LYS A 154 -18.863 2.801 13.419 1.00 1.05 H new ATOM 0 HG3 LYS A 154 -18.056 1.332 13.931 1.00 1.05 H new ATOM 0 HD2 LYS A 154 -16.709 3.734 12.639 1.00 1.04 H new ATOM 0 HD3 LYS A 154 -16.673 3.342 14.346 1.00 1.04 H new ATOM 0 HE2 LYS A 154 -15.517 1.186 13.804 1.00 0.92 H new ATOM 0 HE3 LYS A 154 -15.512 1.633 12.109 1.00 0.92 H new ATOM 0 HZ1 LYS A 154 -13.455 2.336 12.844 1.00 1.30 H new ATOM 0 HZ2 LYS A 154 -14.359 3.770 12.945 1.00 1.30 H new ATOM 0 HZ3 LYS A 154 -14.035 2.870 14.348 1.00 1.30 H new ATOM 2475 N LYS A 155 -19.827 3.588 10.520 1.00 1.17 N ATOM 2476 CA LYS A 155 -20.271 4.974 10.485 1.00 1.44 C ATOM 2477 C LYS A 155 -21.375 5.177 9.446 1.00 1.80 C ATOM 2478 O LYS A 155 -21.166 4.809 8.271 1.00 1.29 O ATOM 2479 CB LYS A 155 -19.072 5.874 10.179 1.00 1.51 C ATOM 2480 CG LYS A 155 -19.407 7.342 9.993 1.00 1.75 C ATOM 2481 CD LYS A 155 -18.262 8.080 9.319 1.00 1.97 C ATOM 2482 CE LYS A 155 -17.880 7.429 7.994 1.00 1.74 C ATOM 2483 NZ LYS A 155 -19.043 7.312 7.074 1.00 2.33 N ATOM 2484 OXT LYS A 155 -22.446 5.703 9.818 1.00 1.29 O ATOM 0 H LYS A 155 -19.075 3.375 9.865 1.00 1.17 H new ATOM 0 HA LYS A 155 -20.688 5.237 11.457 1.00 1.44 H new ATOM 0 HB2 LYS A 155 -18.350 5.781 10.990 1.00 1.51 H new ATOM 0 HB3 LYS A 155 -18.584 5.510 9.275 1.00 1.51 H new ATOM 0 HG2 LYS A 155 -20.311 7.439 9.392 1.00 1.75 H new ATOM 0 HG3 LYS A 155 -19.618 7.796 10.961 1.00 1.75 H new ATOM 0 HD2 LYS A 155 -18.548 9.118 9.147 1.00 1.97 H new ATOM 0 HD3 LYS A 155 -17.397 8.094 9.982 1.00 1.97 H new ATOM 0 HE2 LYS A 155 -17.096 8.016 7.515 1.00 1.74 H new ATOM 0 HE3 LYS A 155 -17.466 6.438 8.183 1.00 1.74 H new ATOM 0 HZ1 LYS A 155 -18.749 7.563 6.109 1.00 2.33 H new ATOM 0 HZ2 LYS A 155 -19.397 6.334 7.085 1.00 2.33 H new ATOM 0 HZ3 LYS A 155 -19.797 7.957 7.384 1.00 2.33 H new TER 2498 LYS A 155 ATOM 2499 O5' DG B 1 36.940 -6.230 11.032 1.00 0.00 O ATOM 2500 C5' DG B 1 38.248 -6.434 11.570 1.00 0.00 C ATOM 2501 C4' DG B 1 38.530 -5.443 12.683 1.00 0.00 C ATOM 2502 O4' DG B 1 38.614 -4.113 12.123 1.00 0.00 O ATOM 2503 C3' DG B 1 37.478 -5.315 13.784 1.00 0.00 C ATOM 2504 O3' DG B 1 38.140 -4.811 14.957 1.00 0.00 O ATOM 2505 C2' DG B 1 36.487 -4.321 13.179 1.00 0.00 C ATOM 2506 C1' DG B 1 37.405 -3.386 12.351 1.00 0.00 C ATOM 2507 N9 DG B 1 36.938 -2.948 11.028 1.00 0.00 N ATOM 2508 C8 DG B 1 36.096 -3.591 10.168 1.00 0.00 C ATOM 2509 N7 DG B 1 35.939 -3.014 9.013 1.00 0.00 N ATOM 2510 C5 DG B 1 36.744 -1.883 9.106 1.00 0.00 C ATOM 2511 C6 DG B 1 36.981 -0.838 8.164 1.00 0.00 C ATOM 2512 O6 DG B 1 36.577 -0.756 7.005 1.00 0.00 O ATOM 2513 N1 DG B 1 37.790 0.170 8.669 1.00 0.00 N ATOM 2514 C2 DG B 1 38.349 0.147 9.925 1.00 0.00 C ATOM 2515 N2 DG B 1 39.100 1.174 10.303 1.00 0.00 N ATOM 2516 N3 DG B 1 38.163 -0.844 10.804 1.00 0.00 N ATOM 2517 C4 DG B 1 37.349 -1.827 10.340 1.00 0.00 C ATOM 0 H5' DG B 1 38.992 -6.324 10.781 1.00 0.00 H new ATOM 0 H5'' DG B 1 38.335 -7.451 11.951 1.00 0.00 H new ATOM 0 H4' DG B 1 39.443 -5.835 13.131 1.00 0.00 H new ATOM 0 H3' DG B 1 36.976 -6.235 14.085 1.00 0.00 H new ATOM 0 H2' DG B 1 35.746 -4.818 12.554 1.00 0.00 H new ATOM 0 H2'' DG B 1 35.941 -3.775 13.948 1.00 0.00 H new ATOM 0 HO5' DG B 1 36.945 -5.443 10.448 1.00 0.00 H new ATOM 0 H1' DG B 1 37.477 -2.472 12.941 1.00 0.00 H new ATOM 0 H8 DG B 1 35.596 -4.512 10.428 1.00 0.00 H new ATOM 0 H1 DG B 1 37.981 0.976 8.073 1.00 0.00 H new ATOM 0 H21 DG B 1 39.526 1.181 11.230 1.00 0.00 H new ATOM 0 H22 DG B 1 39.251 1.957 9.667 1.00 0.00 H new ATOM 2530 P DC B 2 37.294 -4.375 16.255 1.00 0.00 P ATOM 2531 OP1 DC B 2 38.137 -4.630 17.442 1.00 0.00 O ATOM 2532 OP2 DC B 2 35.917 -4.914 16.191 1.00 0.00 O ATOM 2533 O5' DC B 2 37.219 -2.798 16.120 1.00 0.00 O ATOM 2534 C5' DC B 2 38.387 -1.987 16.260 1.00 0.00 C ATOM 2535 C4' DC B 2 38.045 -0.573 15.861 1.00 0.00 C ATOM 2536 O4' DC B 2 37.656 -0.633 14.467 1.00 0.00 O ATOM 2537 C3' DC B 2 36.847 0.049 16.594 1.00 0.00 C ATOM 2538 O3' DC B 2 37.198 1.135 17.443 1.00 0.00 O ATOM 2539 C2' DC B 2 36.025 0.672 15.490 1.00 0.00 C ATOM 2540 C1' DC B 2 36.783 0.443 14.213 1.00 0.00 C ATOM 2541 N1 DC B 2 35.919 0.123 13.053 1.00 0.00 N ATOM 2542 C2 DC B 2 35.947 1.002 11.975 1.00 0.00 C ATOM 2543 O2 DC B 2 36.602 2.044 11.996 1.00 0.00 O ATOM 2544 N3 DC B 2 35.212 0.693 10.858 1.00 0.00 N ATOM 2545 C4 DC B 2 34.440 -0.405 10.835 1.00 0.00 C ATOM 2546 N4 DC B 2 33.754 -0.705 9.744 1.00 0.00 N ATOM 2547 C5 DC B 2 34.389 -1.279 11.959 1.00 0.00 C ATOM 2548 C6 DC B 2 35.129 -0.961 13.002 1.00 0.00 C ATOM 0 H5' DC B 2 39.192 -2.372 15.634 1.00 0.00 H new ATOM 0 H5'' DC B 2 38.744 -2.013 17.290 1.00 0.00 H new ATOM 0 H4' DC B 2 38.918 0.036 16.095 1.00 0.00 H new ATOM 0 H3' DC B 2 36.367 -0.718 17.202 1.00 0.00 H new ATOM 0 H2' DC B 2 35.035 0.219 15.440 1.00 0.00 H new ATOM 0 H2'' DC B 2 35.879 1.737 15.669 1.00 0.00 H new ATOM 0 H1' DC B 2 37.302 1.361 13.939 1.00 0.00 H new ATOM 0 H41 DC B 2 33.167 -1.539 9.724 1.00 0.00 H new ATOM 0 H42 DC B 2 33.813 -0.102 8.923 1.00 0.00 H new ATOM 0 H5 DC B 2 33.770 -2.164 11.956 1.00 0.00 H new ATOM 0 H6 DC B 2 35.098 -1.610 13.865 1.00 0.00 H new ATOM 2560 P DA B 3 36.036 2.052 18.092 1.00 0.00 P ATOM 2561 OP1 DA B 3 36.721 2.455 19.338 1.00 0.00 O ATOM 2562 OP2 DA B 3 34.783 1.265 18.156 1.00 0.00 O ATOM 2563 O5' DA B 3 35.867 3.288 17.095 1.00 0.00 O ATOM 2564 C5' DA B 3 36.861 4.315 16.979 1.00 0.00 C ATOM 2565 C4' DA B 3 36.278 5.505 16.242 1.00 0.00 C ATOM 2566 O4' DA B 3 35.937 5.041 14.906 1.00 0.00 O ATOM 2567 C3' DA B 3 34.992 6.104 16.844 1.00 0.00 C ATOM 2568 O3' DA B 3 35.012 7.547 16.762 1.00 0.00 O ATOM 2569 C2' DA B 3 33.895 5.504 15.977 1.00 0.00 C ATOM 2570 C1' DA B 3 34.575 5.296 14.612 1.00 0.00 C ATOM 2571 N9 DA B 3 34.051 4.163 13.812 1.00 0.00 N ATOM 2572 C8 DA B 3 33.961 2.859 14.216 1.00 0.00 C ATOM 2573 N7 DA B 3 33.382 2.077 13.339 1.00 0.00 N ATOM 2574 C5 DA B 3 33.094 2.939 12.278 1.00 0.00 C ATOM 2575 C6 DA B 3 32.420 2.780 11.053 1.00 0.00 C ATOM 2576 N6 DA B 3 31.835 1.636 10.713 1.00 0.00 N ATOM 2577 N1 DA B 3 32.219 3.855 10.264 1.00 0.00 N ATOM 2578 C2 DA B 3 32.670 5.040 10.671 1.00 0.00 C ATOM 2579 N3 DA B 3 33.327 5.317 11.788 1.00 0.00 N ATOM 2580 C4 DA B 3 33.516 4.213 12.552 1.00 0.00 C ATOM 0 H5' DA B 3 37.731 3.934 16.445 1.00 0.00 H new ATOM 0 H5'' DA B 3 37.202 4.619 17.969 1.00 0.00 H new ATOM 0 H4' DA B 3 37.031 6.292 16.288 1.00 0.00 H new ATOM 0 H3' DA B 3 34.860 5.880 17.902 1.00 0.00 H new ATOM 0 H2' DA B 3 33.530 4.563 16.389 1.00 0.00 H new ATOM 0 H2'' DA B 3 33.037 6.172 15.899 1.00 0.00 H new ATOM 0 H1' DA B 3 34.393 6.182 14.004 1.00 0.00 H new ATOM 0 H8 DA B 3 34.332 2.508 15.168 1.00 0.00 H new ATOM 0 H61 DA B 3 31.355 1.555 9.817 1.00 0.00 H new ATOM 0 H62 DA B 3 31.866 0.839 11.348 1.00 0.00 H new ATOM 0 H2 DA B 3 32.477 5.874 10.013 1.00 0.00 H new ATOM 2592 P DT B 4 33.719 8.419 17.219 1.00 0.00 P ATOM 2593 OP1 DT B 4 34.241 9.798 17.339 1.00 0.00 O ATOM 2594 OP2 DT B 4 33.121 7.763 18.402 1.00 0.00 O ATOM 2595 O5' DT B 4 32.790 8.304 15.947 1.00 0.00 O ATOM 2596 C5' DT B 4 31.439 8.709 15.952 1.00 0.00 C ATOM 2597 C4' DT B 4 30.977 8.802 14.515 1.00 0.00 C ATOM 2598 O4' DT B 4 31.613 7.729 13.774 1.00 0.00 O ATOM 2599 C3' DT B 4 29.504 8.578 14.200 1.00 0.00 C ATOM 2600 O3' DT B 4 28.613 9.639 14.588 1.00 0.00 O ATOM 2601 C2' DT B 4 29.570 8.305 12.713 1.00 0.00 C ATOM 2602 C1' DT B 4 30.757 7.322 12.696 1.00 0.00 C ATOM 2603 N1 DT B 4 30.395 5.849 12.872 1.00 0.00 N ATOM 2604 C2 DT B 4 29.612 5.313 11.856 1.00 0.00 C ATOM 2605 O2 DT B 4 29.119 5.979 10.952 1.00 0.00 O ATOM 2606 N3 DT B 4 29.398 3.948 11.923 1.00 0.00 N ATOM 2607 C4 DT B 4 29.734 3.118 12.975 1.00 0.00 C ATOM 2608 O4 DT B 4 29.417 1.930 12.947 1.00 0.00 O ATOM 2609 C5 DT B 4 30.488 3.779 14.020 1.00 0.00 C ATOM 2610 C7 DT B 4 30.731 2.994 15.294 1.00 0.00 C ATOM 2611 C6 DT B 4 30.819 5.068 13.882 1.00 0.00 C ATOM 0 H5' DT B 4 31.331 9.672 16.451 1.00 0.00 H new ATOM 0 H5'' DT B 4 30.828 7.994 16.504 1.00 0.00 H new ATOM 0 H4' DT B 4 31.220 9.834 14.262 1.00 0.00 H new ATOM 0 H3' DT B 4 29.055 7.771 14.780 1.00 0.00 H new ATOM 0 H2' DT B 4 28.652 7.862 12.326 1.00 0.00 H new ATOM 0 H2'' DT B 4 29.761 9.205 12.129 1.00 0.00 H new ATOM 0 H1' DT B 4 31.219 7.371 11.710 1.00 0.00 H new ATOM 0 H3 DT B 4 28.949 3.512 11.118 1.00 0.00 H new ATOM 0 H71 DT B 4 31.673 3.310 15.742 1.00 0.00 H new ATOM 0 H72 DT B 4 29.916 3.177 15.995 1.00 0.00 H new ATOM 0 H73 DT B 4 30.779 1.930 15.062 1.00 0.00 H new ATOM 0 H6 DT B 4 31.466 5.508 14.627 1.00 0.00 H new ATOM 2624 P DA B 5 28.815 11.207 14.214 1.00 0.00 P ATOM 2625 OP1 DA B 5 29.900 11.907 13.492 1.00 0.00 O ATOM 2626 OP2 DA B 5 28.535 11.538 15.627 1.00 0.00 O ATOM 2627 O5' DA B 5 27.474 11.451 13.368 1.00 0.00 O ATOM 2628 C5' DA B 5 27.304 10.975 11.998 1.00 0.00 C ATOM 2629 C4' DA B 5 26.169 9.959 11.884 1.00 0.00 C ATOM 2630 O4' DA B 5 26.621 8.572 11.826 1.00 0.00 O ATOM 2631 C3' DA B 5 25.149 9.911 13.027 1.00 0.00 C ATOM 2632 O3' DA B 5 24.218 11.048 13.018 1.00 0.00 O ATOM 2633 C2' DA B 5 24.491 8.531 12.857 1.00 0.00 C ATOM 2634 C1' DA B 5 25.440 7.746 11.908 1.00 0.00 C ATOM 2635 N9 DA B 5 25.848 6.362 12.296 1.00 0.00 N ATOM 2636 C8 DA B 5 26.587 5.985 13.375 1.00 0.00 C ATOM 2637 N7 DA B 5 26.862 4.711 13.440 1.00 0.00 N ATOM 2638 C5 DA B 5 26.264 4.210 12.287 1.00 0.00 C ATOM 2639 C6 DA B 5 26.169 2.916 11.746 1.00 0.00 C ATOM 2640 N6 DA B 5 26.750 1.869 12.324 1.00 0.00 N ATOM 2641 N1 DA B 5 25.493 2.719 10.602 1.00 0.00 N ATOM 2642 C2 DA B 5 24.934 3.775 10.017 1.00 0.00 C ATOM 2643 N3 DA B 5 24.944 5.043 10.419 1.00 0.00 N ATOM 2644 C4 DA B 5 25.639 5.204 11.576 1.00 0.00 C ATOM 0 H5' DA B 5 28.233 10.521 11.654 1.00 0.00 H new ATOM 0 H5'' DA B 5 27.100 11.822 11.342 1.00 0.00 H new ATOM 0 H4' DA B 5 25.714 10.331 10.966 1.00 0.00 H new ATOM 0 H3' DA B 5 25.602 10.016 14.013 1.00 0.00 H new ATOM 0 H2' DA B 5 24.384 8.024 13.816 1.00 0.00 H new ATOM 0 H2'' DA B 5 23.492 8.620 12.431 1.00 0.00 H new ATOM 0 H1' DA B 5 24.892 7.574 10.981 1.00 0.00 H new ATOM 0 H8 DA B 5 26.921 6.689 14.123 1.00 0.00 H new ATOM 0 H61 DA B 5 26.663 0.942 11.907 1.00 0.00 H new ATOM 0 H62 DA B 5 27.283 1.992 13.185 1.00 0.00 H new ATOM 0 H2 DA B 5 24.404 3.577 9.097 1.00 0.00 H new ATOM 2656 P DT B 6 23.265 11.396 11.742 1.00 0.00 P ATOM 2657 OP1 DT B 6 24.097 11.616 10.540 1.00 0.00 O ATOM 2658 OP2 DT B 6 22.364 12.469 12.215 1.00 0.00 O ATOM 2659 O5' DT B 6 22.379 10.084 11.542 1.00 0.00 O ATOM 2660 C5' DT B 6 21.788 9.773 10.277 1.00 0.00 C ATOM 2661 C4' DT B 6 20.891 8.557 10.401 1.00 0.00 C ATOM 2662 O4' DT B 6 21.697 7.430 10.814 1.00 0.00 O ATOM 2663 C3' DT B 6 19.752 8.622 11.440 1.00 0.00 C ATOM 2664 O3' DT B 6 18.472 8.988 10.834 1.00 0.00 O ATOM 2665 C2' DT B 6 19.750 7.235 12.101 1.00 0.00 C ATOM 2666 C1' DT B 6 20.824 6.447 11.336 1.00 0.00 C ATOM 2667 N1 DT B 6 21.652 5.449 12.120 1.00 0.00 N ATOM 2668 C2 DT B 6 21.642 4.133 11.657 1.00 0.00 C ATOM 2669 O2 DT B 6 20.957 3.739 10.718 1.00 0.00 O ATOM 2670 N3 DT B 6 22.454 3.236 12.321 1.00 0.00 N ATOM 2671 C4 DT B 6 23.263 3.525 13.400 1.00 0.00 C ATOM 2672 O4 DT B 6 24.040 2.683 13.841 1.00 0.00 O ATOM 2673 C5 DT B 6 23.153 4.882 13.883 1.00 0.00 C ATOM 2674 C7 DT B 6 23.763 5.186 15.236 1.00 0.00 C ATOM 2675 C6 DT B 6 22.391 5.788 13.221 1.00 0.00 C ATOM 0 H5' DT B 6 22.568 9.584 9.540 1.00 0.00 H new ATOM 0 H5'' DT B 6 21.210 10.625 9.918 1.00 0.00 H new ATOM 0 H4' DT B 6 20.430 8.484 9.416 1.00 0.00 H new ATOM 0 H3' DT B 6 19.908 9.406 12.182 1.00 0.00 H new ATOM 0 H2' DT B 6 19.986 7.300 13.163 1.00 0.00 H new ATOM 0 H2'' DT B 6 18.773 6.758 12.020 1.00 0.00 H new ATOM 0 H1' DT B 6 20.301 5.828 10.607 1.00 0.00 H new ATOM 0 H3 DT B 6 22.456 2.273 11.984 1.00 0.00 H new ATOM 0 H71 DT B 6 24.095 6.224 15.260 1.00 0.00 H new ATOM 0 H72 DT B 6 23.018 5.025 16.015 1.00 0.00 H new ATOM 0 H73 DT B 6 24.615 4.528 15.407 1.00 0.00 H new ATOM 0 H6 DT B 6 22.367 6.809 13.574 1.00 0.00 H new ATOM 2688 P DG B 7 17.686 8.014 9.792 1.00 0.00 P ATOM 2689 OP1 DG B 7 18.546 7.566 8.674 1.00 0.00 O ATOM 2690 OP2 DG B 7 16.434 8.739 9.484 1.00 0.00 O ATOM 2691 O5' DG B 7 17.272 6.719 10.628 1.00 0.00 O ATOM 2692 C5' DG B 7 16.635 5.610 9.976 1.00 0.00 C ATOM 2693 C4' DG B 7 16.342 4.503 10.971 1.00 0.00 C ATOM 2694 O4' DG B 7 17.601 3.994 11.488 1.00 0.00 O ATOM 2695 C3' DG B 7 15.495 4.859 12.209 1.00 0.00 C ATOM 2696 O3' DG B 7 14.210 4.217 12.096 1.00 0.00 O ATOM 2697 C2' DG B 7 16.307 4.304 13.380 1.00 0.00 C ATOM 2698 C1' DG B 7 17.326 3.378 12.728 1.00 0.00 C ATOM 2699 N9 DG B 7 18.583 3.196 13.462 1.00 0.00 N ATOM 2700 C8 DG B 7 19.306 4.137 14.121 1.00 0.00 C ATOM 2701 N7 DG B 7 20.360 3.688 14.741 1.00 0.00 N ATOM 2702 C5 DG B 7 20.337 2.325 14.448 1.00 0.00 C ATOM 2703 C6 DG B 7 21.237 1.287 14.827 1.00 0.00 C ATOM 2704 O6 DG B 7 22.250 1.374 15.516 1.00 0.00 O ATOM 2705 N1 DG B 7 20.853 0.047 14.344 1.00 0.00 N ATOM 2706 C2 DG B 7 19.752 -0.170 13.556 1.00 0.00 C ATOM 2707 N2 DG B 7 19.498 -1.410 13.164 1.00 0.00 N ATOM 2708 N3 DG B 7 18.903 0.792 13.186 1.00 0.00 N ATOM 2709 C4 DG B 7 19.254 2.015 13.661 1.00 0.00 C ATOM 0 H5' DG B 7 17.277 5.231 9.181 1.00 0.00 H new ATOM 0 H5'' DG B 7 15.708 5.940 9.507 1.00 0.00 H new ATOM 0 H4' DG B 7 15.751 3.796 10.389 1.00 0.00 H new ATOM 0 H3' DG B 7 15.302 5.925 12.328 1.00 0.00 H new ATOM 0 H2' DG B 7 16.796 5.102 13.939 1.00 0.00 H new ATOM 0 H2'' DG B 7 15.673 3.765 14.083 1.00 0.00 H new ATOM 0 H1' DG B 7 16.908 2.373 12.673 1.00 0.00 H new ATOM 0 H8 DG B 7 19.028 5.181 14.131 1.00 0.00 H new ATOM 0 H1 DG B 7 21.428 -0.759 14.591 1.00 0.00 H new ATOM 0 H21 DG B 7 18.686 -1.603 12.577 1.00 0.00 H new ATOM 0 H22 DG B 7 20.114 -2.171 13.449 1.00 0.00 H new ATOM 2721 P DA B 8 13.277 3.985 13.397 1.00 0.00 P ATOM 2722 OP1 DA B 8 11.895 3.947 12.864 1.00 0.00 O ATOM 2723 OP2 DA B 8 13.615 4.938 14.477 1.00 0.00 O ATOM 2724 O5' DA B 8 13.626 2.489 13.824 1.00 0.00 O ATOM 2725 C5' DA B 8 13.478 1.406 12.888 1.00 0.00 C ATOM 2726 C4' DA B 8 13.879 0.095 13.535 1.00 0.00 C ATOM 2727 O4' DA B 8 15.277 0.215 13.891 1.00 0.00 O ATOM 2728 C3' DA B 8 13.124 -0.304 14.816 1.00 0.00 C ATOM 2729 O3' DA B 8 12.490 -1.586 14.634 1.00 0.00 O ATOM 2730 C2' DA B 8 14.208 -0.389 15.884 1.00 0.00 C ATOM 2731 C1' DA B 8 15.533 -0.417 15.127 1.00 0.00 C ATOM 2732 N9 DA B 8 16.631 0.311 15.790 1.00 0.00 N ATOM 2733 C8 DA B 8 16.707 1.656 15.990 1.00 0.00 C ATOM 2734 N7 DA B 8 17.774 2.053 16.622 1.00 0.00 N ATOM 2735 C5 DA B 8 18.455 0.862 16.842 1.00 0.00 C ATOM 2736 C6 DA B 8 19.662 0.560 17.486 1.00 0.00 C ATOM 2737 N6 DA B 8 20.410 1.520 18.021 1.00 0.00 N ATOM 2738 N1 DA B 8 20.059 -0.721 17.561 1.00 0.00 N ATOM 2739 C2 DA B 8 19.298 -1.663 17.005 1.00 0.00 C ATOM 2740 N3 DA B 8 18.143 -1.511 16.377 1.00 0.00 N ATOM 2741 C4 DA B 8 17.776 -0.207 16.327 1.00 0.00 C ATOM 0 H5' DA B 8 14.095 1.589 12.008 1.00 0.00 H new ATOM 0 H5'' DA B 8 12.444 1.350 12.546 1.00 0.00 H new ATOM 0 H4' DA B 8 13.642 -0.678 12.804 1.00 0.00 H new ATOM 0 H3' DA B 8 12.338 0.403 15.082 1.00 0.00 H new ATOM 0 H2' DA B 8 14.161 0.466 16.559 1.00 0.00 H new ATOM 0 H2'' DA B 8 14.087 -1.284 16.494 1.00 0.00 H new ATOM 0 H1' DA B 8 15.862 -1.453 15.051 1.00 0.00 H new ATOM 0 H8 DA B 8 15.943 2.339 15.651 1.00 0.00 H new ATOM 0 H61 DA B 8 21.286 1.284 18.487 1.00 0.00 H new ATOM 0 H62 DA B 8 20.108 2.493 17.966 1.00 0.00 H new ATOM 0 H2 DA B 8 19.669 -2.675 17.075 1.00 0.00 H new ATOM 2753 P DT B 9 11.545 -2.215 15.793 1.00 0.00 P ATOM 2754 OP1 DT B 9 10.831 -3.335 15.141 1.00 0.00 O ATOM 2755 OP2 DT B 9 10.779 -1.120 16.427 1.00 0.00 O ATOM 2756 O5' DT B 9 12.591 -2.825 16.842 1.00 0.00 O ATOM 2757 C5' DT B 9 13.266 -4.068 16.577 1.00 0.00 C ATOM 2758 C4' DT B 9 14.408 -4.279 17.557 1.00 0.00 C ATOM 2759 O4' DT B 9 15.288 -3.130 17.550 1.00 0.00 O ATOM 2760 C3' DT B 9 14.057 -4.449 19.041 1.00 0.00 C ATOM 2761 O3' DT B 9 13.878 -5.826 19.389 1.00 0.00 O ATOM 2762 C2' DT B 9 15.296 -3.926 19.764 1.00 0.00 C ATOM 2763 C1' DT B 9 16.124 -3.239 18.702 1.00 0.00 C ATOM 2764 N1 DT B 9 16.559 -1.895 19.159 1.00 0.00 N ATOM 2765 C2 DT B 9 17.797 -1.814 19.778 1.00 0.00 C ATOM 2766 O2 DT B 9 18.504 -2.788 20.011 1.00 0.00 O ATOM 2767 N3 DT B 9 18.211 -0.543 20.118 1.00 0.00 N ATOM 2768 C4 DT B 9 17.470 0.615 20.006 1.00 0.00 C ATOM 2769 O4 DT B 9 17.943 1.683 20.389 1.00 0.00 O ATOM 2770 C5 DT B 9 16.166 0.422 19.402 1.00 0.00 C ATOM 2771 C7 DT B 9 15.227 1.609 19.371 1.00 0.00 C ATOM 2772 C6 DT B 9 15.782 -0.801 18.994 1.00 0.00 C ATOM 0 H5' DT B 9 13.651 -4.068 15.557 1.00 0.00 H new ATOM 0 H5'' DT B 9 12.559 -4.894 16.651 1.00 0.00 H new ATOM 0 H4' DT B 9 14.832 -5.216 17.195 1.00 0.00 H new ATOM 0 H3' DT B 9 13.130 -3.934 19.295 1.00 0.00 H new ATOM 0 H2' DT B 9 15.023 -3.232 20.559 1.00 0.00 H new ATOM 0 H2'' DT B 9 15.852 -4.740 20.229 1.00 0.00 H new ATOM 0 H1' DT B 9 17.029 -3.806 18.483 1.00 0.00 H new ATOM 0 H3 DT B 9 19.157 -0.450 20.488 1.00 0.00 H new ATOM 0 H71 DT B 9 15.425 2.252 20.228 1.00 0.00 H new ATOM 0 H72 DT B 9 15.383 2.172 18.451 1.00 0.00 H new ATOM 0 H73 DT B 9 14.196 1.258 19.412 1.00 0.00 H new ATOM 0 H6 DT B 9 14.819 -0.913 18.518 1.00 0.00 H new ATOM 2785 P DA B 10 13.729 -6.247 20.940 1.00 0.00 P ATOM 2786 OP1 DA B 10 13.650 -7.723 20.892 1.00 0.00 O ATOM 2787 OP2 DA B 10 12.558 -5.466 21.397 1.00 0.00 O ATOM 2788 O5' DA B 10 15.080 -5.787 21.587 1.00 0.00 O ATOM 2789 C5' DA B 10 15.236 -5.743 22.965 1.00 0.00 C ATOM 2790 C4' DA B 10 16.710 -5.742 23.252 1.00 0.00 C ATOM 2791 O4' DA B 10 17.282 -4.624 22.593 1.00 0.00 O ATOM 2792 C3' DA B 10 17.111 -5.616 24.700 1.00 0.00 C ATOM 2793 O3' DA B 10 17.458 -6.893 25.061 1.00 0.00 O ATOM 2794 C2' DA B 10 18.342 -4.753 24.712 1.00 0.00 C ATOM 2795 C1' DA B 10 18.149 -3.949 23.463 1.00 0.00 C ATOM 2796 N9 DA B 10 17.650 -2.592 23.581 1.00 0.00 N ATOM 2797 C8 DA B 10 16.557 -1.943 23.117 1.00 0.00 C ATOM 2798 N7 DA B 10 16.700 -0.658 22.945 1.00 0.00 N ATOM 2799 C5 DA B 10 17.985 -0.437 23.440 1.00 0.00 C ATOM 2800 C6 DA B 10 18.753 0.725 23.619 1.00 0.00 C ATOM 2801 N6 DA B 10 18.347 1.906 23.138 1.00 0.00 N ATOM 2802 N1 DA B 10 19.927 0.630 24.282 1.00 0.00 N ATOM 2803 C2 DA B 10 20.336 -0.572 24.688 1.00 0.00 C ATOM 2804 N3 DA B 10 19.735 -1.743 24.534 1.00 0.00 N ATOM 2805 C4 DA B 10 18.548 -1.604 23.892 1.00 0.00 C ATOM 0 H5' DA B 10 14.755 -6.602 23.433 1.00 0.00 H new ATOM 0 H5'' DA B 10 14.765 -4.850 23.376 1.00 0.00 H new ATOM 0 H4' DA B 10 17.059 -6.717 22.911 1.00 0.00 H new ATOM 0 H3' DA B 10 16.346 -5.198 25.354 1.00 0.00 H new ATOM 0 H2' DA B 10 18.395 -4.125 25.601 1.00 0.00 H new ATOM 0 H2'' DA B 10 19.258 -5.343 24.684 1.00 0.00 H new ATOM 0 H1' DA B 10 19.172 -3.847 23.102 1.00 0.00 H new ATOM 0 H8 DA B 10 15.630 -2.454 22.904 1.00 0.00 H new ATOM 0 H61 DA B 10 18.920 2.738 23.279 1.00 0.00 H new ATOM 0 H62 DA B 10 17.465 1.974 22.630 1.00 0.00 H new ATOM 0 H2 DA B 10 21.281 -0.594 25.211 1.00 0.00 H new ATOM 2817 P DG B 11 16.885 -7.463 26.375 1.00 0.00 P ATOM 2818 OP1 DG B 11 17.554 -8.765 26.590 1.00 0.00 O ATOM 2819 OP2 DG B 11 15.409 -7.369 26.401 1.00 0.00 O ATOM 2820 O5' DG B 11 17.618 -6.597 27.478 1.00 0.00 O ATOM 2821 C5' DG B 11 16.960 -5.774 28.420 1.00 0.00 C ATOM 2822 C4' DG B 11 18.021 -4.919 29.064 1.00 0.00 C ATOM 2823 O4' DG B 11 18.657 -4.225 27.968 1.00 0.00 O ATOM 2824 C3' DG B 11 17.638 -3.826 30.059 1.00 0.00 C ATOM 2825 O3' DG B 11 17.577 -4.350 31.388 1.00 0.00 O ATOM 2826 C2' DG B 11 18.809 -2.861 29.913 1.00 0.00 C ATOM 2827 C1' DG B 11 19.115 -2.960 28.400 1.00 0.00 C ATOM 2828 N9 DG B 11 18.432 -1.915 27.633 1.00 0.00 N ATOM 2829 C8 DG B 11 17.239 -1.942 26.973 1.00 0.00 C ATOM 2830 N7 DG B 11 16.854 -0.778 26.526 1.00 0.00 N ATOM 2831 C5 DG B 11 17.884 0.082 26.914 1.00 0.00 C ATOM 2832 C6 DG B 11 18.047 1.492 26.747 1.00 0.00 C ATOM 2833 O6 DG B 11 17.286 2.288 26.203 1.00 0.00 O ATOM 2834 N1 DG B 11 19.237 1.964 27.284 1.00 0.00 N ATOM 2835 C2 DG B 11 20.167 1.178 27.914 1.00 0.00 C ATOM 2836 N2 DG B 11 21.262 1.760 28.388 1.00 0.00 N ATOM 2837 N3 DG B 11 20.019 -0.135 28.102 1.00 0.00 N ATOM 2838 C4 DG B 11 18.863 -0.618 27.576 1.00 0.00 C ATOM 0 H5' DG B 11 16.443 -6.377 29.167 1.00 0.00 H new ATOM 0 H5'' DG B 11 16.207 -5.155 27.933 1.00 0.00 H new ATOM 0 H4' DG B 11 18.598 -5.624 29.663 1.00 0.00 H new ATOM 0 H3' DG B 11 16.662 -3.377 29.877 1.00 0.00 H new ATOM 0 H2' DG B 11 18.542 -1.847 30.211 1.00 0.00 H new ATOM 0 H2'' DG B 11 19.662 -3.158 30.523 1.00 0.00 H new ATOM 0 HO3' DG B 11 17.332 -3.634 32.011 1.00 0.00 H new ATOM 0 H1' DG B 11 20.185 -2.832 28.239 1.00 0.00 H new ATOM 0 H8 DG B 11 16.664 -2.846 26.833 1.00 0.00 H new ATOM 0 H1 DG B 11 19.432 2.962 27.205 1.00 0.00 H new ATOM 0 H21 DG B 11 21.972 1.202 28.862 1.00 0.00 H new ATOM 0 H22 DG B 11 21.393 2.766 28.279 1.00 0.00 H new TER 2851 DG B 11 ATOM 2852 O5' DC C 12 23.296 11.067 28.630 1.00 0.00 O ATOM 2853 C5' DC C 12 23.768 10.497 27.405 1.00 0.00 C ATOM 2854 C4' DC C 12 24.067 9.023 27.585 1.00 0.00 C ATOM 2855 O4' DC C 12 22.803 8.332 27.785 1.00 0.00 O ATOM 2856 C3' DC C 12 24.750 8.296 26.409 1.00 0.00 C ATOM 2857 O3' DC C 12 26.193 8.276 26.595 1.00 0.00 O ATOM 2858 C2' DC C 12 24.121 6.903 26.452 1.00 0.00 C ATOM 2859 C1' DC C 12 22.983 6.953 27.498 1.00 0.00 C ATOM 2860 N1 DC C 12 21.714 6.372 26.943 1.00 0.00 N ATOM 2861 C2 DC C 12 21.226 5.152 27.396 1.00 0.00 C ATOM 2862 O2 DC C 12 21.767 4.554 28.323 1.00 0.00 O ATOM 2863 N3 DC C 12 20.132 4.603 26.786 1.00 0.00 N ATOM 2864 C4 DC C 12 19.551 5.228 25.755 1.00 0.00 C ATOM 2865 N4 DC C 12 18.488 4.672 25.183 1.00 0.00 N ATOM 2866 C5 DC C 12 20.048 6.471 25.256 1.00 0.00 C ATOM 2867 C6 DC C 12 21.113 7.003 25.891 1.00 0.00 C ATOM 0 H5' DC C 12 24.667 11.019 27.077 1.00 0.00 H new ATOM 0 H5'' DC C 12 23.020 10.629 26.624 1.00 0.00 H new ATOM 0 H4' DC C 12 24.767 8.993 28.420 1.00 0.00 H new ATOM 0 H3' DC C 12 24.605 8.774 25.440 1.00 0.00 H new ATOM 0 H2' DC C 12 23.732 6.625 25.472 1.00 0.00 H new ATOM 0 H2'' DC C 12 24.863 6.153 26.725 1.00 0.00 H new ATOM 0 HO5' DC C 12 23.109 12.020 28.497 1.00 0.00 H new ATOM 0 H1' DC C 12 23.231 6.372 28.386 1.00 0.00 H new ATOM 0 H41 DC C 12 18.032 5.134 24.396 1.00 0.00 H new ATOM 0 H42 DC C 12 18.128 3.783 25.531 1.00 0.00 H new ATOM 0 H5 DC C 12 19.592 6.962 24.409 1.00 0.00 H new ATOM 0 H6 DC C 12 21.501 7.954 25.558 1.00 0.00 H new ATOM 2880 P DT C 13 27.176 7.458 25.574 1.00 0.00 P ATOM 2881 OP1 DT C 13 28.525 7.935 25.945 1.00 0.00 O ATOM 2882 OP2 DT C 13 26.730 7.524 24.164 1.00 0.00 O ATOM 2883 O5' DT C 13 27.031 5.965 26.087 1.00 0.00 O ATOM 2884 C5' DT C 13 27.196 5.630 27.469 1.00 0.00 C ATOM 2885 C4' DT C 13 26.889 4.160 27.647 1.00 0.00 C ATOM 2886 O4' DT C 13 25.518 3.866 27.256 1.00 0.00 O ATOM 2887 C3' DT C 13 27.762 3.257 26.780 1.00 0.00 C ATOM 2888 O3' DT C 13 28.223 2.220 27.633 1.00 0.00 O ATOM 2889 C2' DT C 13 26.828 2.789 25.661 1.00 0.00 C ATOM 2890 C1' DT C 13 25.466 2.772 26.333 1.00 0.00 C ATOM 2891 N1 DT C 13 24.238 2.980 25.468 1.00 0.00 N ATOM 2892 C2 DT C 13 23.177 2.091 25.595 1.00 0.00 C ATOM 2893 O2 DT C 13 23.214 1.067 26.273 1.00 0.00 O ATOM 2894 N3 DT C 13 22.047 2.406 24.882 1.00 0.00 N ATOM 2895 C4 DT C 13 21.906 3.467 24.004 1.00 0.00 C ATOM 2896 O4 DT C 13 20.876 3.606 23.338 1.00 0.00 O ATOM 2897 C5 DT C 13 23.054 4.357 23.969 1.00 0.00 C ATOM 2898 C7 DT C 13 22.990 5.510 22.984 1.00 0.00 C ATOM 2899 C6 DT C 13 24.156 4.093 24.699 1.00 0.00 C ATOM 0 H5' DT C 13 26.531 6.233 28.087 1.00 0.00 H new ATOM 0 H5'' DT C 13 28.214 5.846 27.792 1.00 0.00 H new ATOM 0 H4' DT C 13 27.074 3.963 28.703 1.00 0.00 H new ATOM 0 H3' DT C 13 28.643 3.714 26.330 1.00 0.00 H new ATOM 0 H2' DT C 13 26.848 3.468 24.809 1.00 0.00 H new ATOM 0 H2'' DT C 13 27.107 1.803 25.290 1.00 0.00 H new ATOM 0 H1' DT C 13 25.331 1.769 26.738 1.00 0.00 H new ATOM 0 H3 DT C 13 21.235 1.802 25.011 1.00 0.00 H new ATOM 0 H71 DT C 13 22.387 5.220 22.123 1.00 0.00 H new ATOM 0 H72 DT C 13 22.539 6.377 23.467 1.00 0.00 H new ATOM 0 H73 DT C 13 23.997 5.762 22.653 1.00 0.00 H new ATOM 0 H6 DT C 13 24.988 4.781 24.671 1.00 0.00 H new ATOM 2912 P DA C 14 29.179 1.098 27.048 1.00 0.00 P ATOM 2913 OP1 DA C 14 29.568 0.258 28.202 1.00 0.00 O ATOM 2914 OP2 DA C 14 30.209 1.844 26.296 1.00 0.00 O ATOM 2915 O5' DA C 14 28.162 0.278 26.182 1.00 0.00 O ATOM 2916 C5' DA C 14 28.554 -0.356 25.023 1.00 0.00 C ATOM 2917 C4' DA C 14 27.436 -1.273 24.608 1.00 0.00 C ATOM 2918 O4' DA C 14 26.181 -0.568 24.478 1.00 0.00 O ATOM 2919 C3' DA C 14 27.677 -1.928 23.269 1.00 0.00 C ATOM 2920 O3' DA C 14 28.450 -3.101 23.573 1.00 0.00 O ATOM 2921 C2' DA C 14 26.283 -2.028 22.654 1.00 0.00 C ATOM 2922 C1' DA C 14 25.330 -1.315 23.616 1.00 0.00 C ATOM 2923 N9 DA C 14 24.374 -0.367 22.996 1.00 0.00 N ATOM 2924 C8 DA C 14 24.592 0.970 22.914 1.00 0.00 C ATOM 2925 N7 DA C 14 23.627 1.648 22.359 1.00 0.00 N ATOM 2926 C5 DA C 14 22.675 0.670 22.081 1.00 0.00 C ATOM 2927 C6 DA C 14 21.387 0.714 21.514 1.00 0.00 C ATOM 2928 N6 DA C 14 20.770 1.843 21.163 1.00 0.00 N ATOM 2929 N1 DA C 14 20.715 -0.434 21.344 1.00 0.00 N ATOM 2930 C2 DA C 14 21.271 -1.578 21.725 1.00 0.00 C ATOM 2931 N3 DA C 14 22.464 -1.750 22.288 1.00 0.00 N ATOM 2932 C4 DA C 14 23.124 -0.573 22.451 1.00 0.00 C ATOM 0 H5' DA C 14 29.472 -0.921 25.187 1.00 0.00 H new ATOM 0 H5'' DA C 14 28.763 0.372 24.240 1.00 0.00 H new ATOM 0 H4' DA C 14 27.397 -2.022 25.399 1.00 0.00 H new ATOM 0 H3' DA C 14 28.269 -1.432 22.499 1.00 0.00 H new ATOM 0 H2' DA C 14 26.260 -1.562 21.669 1.00 0.00 H new ATOM 0 H2'' DA C 14 25.992 -3.070 22.521 1.00 0.00 H new ATOM 0 H1' DA C 14 24.707 -2.071 24.094 1.00 0.00 H new ATOM 0 H8 DA C 14 25.495 1.436 23.280 1.00 0.00 H new ATOM 0 H61 DA C 14 19.835 1.808 20.756 1.00 0.00 H new ATOM 0 H62 DA C 14 21.233 2.741 21.301 1.00 0.00 H new ATOM 0 H2 DA C 14 20.688 -2.472 21.559 1.00 0.00 H new ATOM 2944 P DT C 15 27.767 -4.471 24.048 1.00 0.00 P ATOM 2945 OP1 DT C 15 27.176 -4.629 25.395 1.00 0.00 O ATOM 2946 OP2 DT C 15 28.849 -5.389 23.629 1.00 0.00 O ATOM 2947 O5' DT C 15 26.619 -4.710 22.960 1.00 0.00 O ATOM 2948 C5' DT C 15 25.566 -5.669 23.142 1.00 0.00 C ATOM 2949 C4' DT C 15 24.829 -5.884 21.830 1.00 0.00 C ATOM 2950 O4' DT C 15 24.152 -4.652 21.437 1.00 0.00 O ATOM 2951 C3' DT C 15 25.691 -6.292 20.617 1.00 0.00 C ATOM 2952 O3' DT C 15 25.149 -7.491 20.055 1.00 0.00 O ATOM 2953 C2' DT C 15 25.555 -5.110 19.659 1.00 0.00 C ATOM 2954 C1' DT C 15 24.179 -4.546 20.020 1.00 0.00 C ATOM 2955 N1 DT C 15 23.885 -3.099 19.636 1.00 0.00 N ATOM 2956 C2 DT C 15 22.629 -2.772 19.141 1.00 0.00 C ATOM 2957 O2 DT C 15 21.742 -3.592 18.926 1.00 0.00 O ATOM 2958 N3 DT C 15 22.419 -1.435 18.876 1.00 0.00 N ATOM 2959 C4 DT C 15 23.336 -0.417 19.032 1.00 0.00 C ATOM 2960 O4 DT C 15 23.024 0.747 18.808 1.00 0.00 O ATOM 2961 C5 DT C 15 24.636 -0.856 19.493 1.00 0.00 C ATOM 2962 C7 DT C 15 25.759 0.163 19.443 1.00 0.00 C ATOM 2963 C6 DT C 15 24.846 -2.156 19.793 1.00 0.00 C ATOM 0 H5' DT C 15 24.872 -5.319 23.906 1.00 0.00 H new ATOM 0 H5'' DT C 15 25.980 -6.613 23.496 1.00 0.00 H new ATOM 0 H4' DT C 15 24.160 -6.716 22.052 1.00 0.00 H new ATOM 0 H3' DT C 15 26.735 -6.496 20.855 1.00 0.00 H new ATOM 0 H2' DT C 15 26.346 -4.375 19.807 1.00 0.00 H new ATOM 0 H2'' DT C 15 25.603 -5.425 18.617 1.00 0.00 H new ATOM 0 H1' DT C 15 23.425 -5.100 19.461 1.00 0.00 H new ATOM 0 H3 DT C 15 21.495 -1.174 18.531 1.00 0.00 H new ATOM 0 H71 DT C 15 25.583 0.859 18.623 1.00 0.00 H new ATOM 0 H72 DT C 15 25.794 0.713 20.384 1.00 0.00 H new ATOM 0 H73 DT C 15 26.708 -0.349 19.287 1.00 0.00 H new ATOM 0 H6 DT C 15 25.813 -2.454 20.171 1.00 0.00 H new ATOM 2976 P DC C 16 25.659 -8.036 18.626 1.00 0.00 P ATOM 2977 OP1 DC C 16 25.581 -9.508 18.755 1.00 0.00 O ATOM 2978 OP2 DC C 16 26.920 -7.398 18.188 1.00 0.00 O ATOM 2979 O5' DC C 16 24.482 -7.602 17.638 1.00 0.00 O ATOM 2980 C5' DC C 16 23.121 -7.976 17.911 1.00 0.00 C ATOM 2981 C4' DC C 16 22.202 -7.525 16.791 1.00 0.00 C ATOM 2982 O4' DC C 16 22.134 -6.079 16.769 1.00 0.00 O ATOM 2983 C3' DC C 16 22.583 -7.937 15.365 1.00 0.00 C ATOM 2984 O3' DC C 16 21.371 -8.320 14.696 1.00 0.00 O ATOM 2985 C2' DC C 16 23.155 -6.663 14.749 1.00 0.00 C ATOM 2986 C1' DC C 16 22.337 -5.577 15.452 1.00 0.00 C ATOM 2987 N1 DC C 16 22.925 -4.205 15.612 1.00 0.00 N ATOM 2988 C2 DC C 16 22.234 -3.109 15.104 1.00 0.00 C ATOM 2989 O2 DC C 16 21.209 -3.245 14.439 1.00 0.00 O ATOM 2990 N3 DC C 16 22.718 -1.854 15.321 1.00 0.00 N ATOM 2991 C4 DC C 16 23.859 -1.686 15.998 1.00 0.00 C ATOM 2992 N4 DC C 16 24.324 -0.452 16.161 1.00 0.00 N ATOM 2993 C5 DC C 16 24.569 -2.792 16.561 1.00 0.00 C ATOM 2994 C6 DC C 16 24.061 -4.020 16.346 1.00 0.00 C ATOM 0 H5' DC C 16 22.799 -7.531 18.853 1.00 0.00 H new ATOM 0 H5'' DC C 16 23.053 -9.057 18.030 1.00 0.00 H new ATOM 0 H4' DC C 16 21.265 -8.027 17.032 1.00 0.00 H new ATOM 0 H3' DC C 16 23.291 -8.763 15.305 1.00 0.00 H new ATOM 0 H2' DC C 16 24.223 -6.560 14.943 1.00 0.00 H new ATOM 0 H2'' DC C 16 23.023 -6.638 13.667 1.00 0.00 H new ATOM 0 H1' DC C 16 21.467 -5.412 14.817 1.00 0.00 H new ATOM 0 H41 DC C 16 25.192 -0.298 16.674 1.00 0.00 H new ATOM 0 H42 DC C 16 23.813 0.341 15.773 1.00 0.00 H new ATOM 0 H5 DC C 16 25.473 -2.649 17.134 1.00 0.00 H new ATOM 0 H6 DC C 16 24.564 -4.879 16.764 1.00 0.00 H new ATOM 3006 P DA C 17 21.407 -9.224 13.364 1.00 0.00 P ATOM 3007 OP1 DA C 17 20.170 -10.032 13.414 1.00 0.00 O ATOM 3008 OP2 DA C 17 22.720 -9.893 13.229 1.00 0.00 O ATOM 3009 O5' DA C 17 21.224 -8.175 12.180 1.00 0.00 O ATOM 3010 C5' DA C 17 22.122 -8.130 11.068 1.00 0.00 C ATOM 3011 C4' DA C 17 21.845 -6.889 10.248 1.00 0.00 C ATOM 3012 O4' DA C 17 21.865 -5.779 11.177 1.00 0.00 O ATOM 3013 C3' DA C 17 22.856 -6.532 9.142 1.00 0.00 C ATOM 3014 O3' DA C 17 22.266 -6.511 7.854 1.00 0.00 O ATOM 3015 C2' DA C 17 23.244 -5.098 9.435 1.00 0.00 C ATOM 3016 C1' DA C 17 22.283 -4.627 10.487 1.00 0.00 C ATOM 3017 N9 DA C 17 22.950 -3.719 11.408 1.00 0.00 N ATOM 3018 C8 DA C 17 23.879 -3.996 12.362 1.00 0.00 C ATOM 3019 N7 DA C 17 24.411 -2.952 12.930 1.00 0.00 N ATOM 3020 C5 DA C 17 23.709 -1.901 12.348 1.00 0.00 C ATOM 3021 C6 DA C 17 23.766 -0.513 12.532 1.00 0.00 C ATOM 3022 N6 DA C 17 24.705 -0.021 13.340 1.00 0.00 N ATOM 3023 N1 DA C 17 22.906 0.284 11.854 1.00 0.00 N ATOM 3024 C2 DA C 17 22.060 -0.305 11.004 1.00 0.00 C ATOM 3025 N3 DA C 17 21.936 -1.595 10.713 1.00 0.00 N ATOM 3026 C4 DA C 17 22.790 -2.354 11.442 1.00 0.00 C ATOM 0 H5' DA C 17 22.000 -9.021 10.452 1.00 0.00 H new ATOM 0 H5'' DA C 17 23.154 -8.124 11.420 1.00 0.00 H new ATOM 0 H4' DA C 17 20.904 -7.086 9.734 1.00 0.00 H new ATOM 0 H3' DA C 17 23.669 -7.259 9.140 1.00 0.00 H new ATOM 0 H2' DA C 17 24.273 -5.035 9.788 1.00 0.00 H new ATOM 0 H2'' DA C 17 23.176 -4.482 8.538 1.00 0.00 H new ATOM 0 H1' DA C 17 21.442 -4.093 10.044 1.00 0.00 H new ATOM 0 H8 DA C 17 24.155 -5.006 12.628 1.00 0.00 H new ATOM 0 H61 DA C 17 24.770 0.985 13.493 1.00 0.00 H new ATOM 0 H62 DA C 17 25.358 -0.651 13.806 1.00 0.00 H new ATOM 0 H2 DA C 17 21.385 0.358 10.483 1.00 0.00 H new ATOM 3038 P DT C 18 23.198 -6.319 6.554 1.00 0.00 P ATOM 3039 OP1 DT C 18 23.405 -7.713 6.105 1.00 0.00 O ATOM 3040 OP2 DT C 18 24.370 -5.434 6.728 1.00 0.00 O ATOM 3041 O5' DT C 18 22.262 -5.539 5.522 1.00 0.00 O ATOM 3042 C5' DT C 18 21.427 -4.436 5.935 1.00 0.00 C ATOM 3043 C4' DT C 18 22.158 -3.107 5.807 1.00 0.00 C ATOM 3044 O4' DT C 18 22.694 -2.702 7.095 1.00 0.00 O ATOM 3045 C3' DT C 18 23.357 -3.005 4.846 1.00 0.00 C ATOM 3046 O3' DT C 18 22.906 -2.416 3.614 1.00 0.00 O ATOM 3047 C2' DT C 18 24.346 -2.079 5.571 1.00 0.00 C ATOM 3048 C1' DT C 18 23.611 -1.646 6.843 1.00 0.00 C ATOM 3049 N1 DT C 18 24.479 -1.436 8.067 1.00 0.00 N ATOM 3050 C2 DT C 18 24.546 -0.157 8.618 1.00 0.00 C ATOM 3051 O2 DT C 18 23.934 0.808 8.170 1.00 0.00 O ATOM 3052 N3 DT C 18 25.359 -0.012 9.727 1.00 0.00 N ATOM 3053 C4 DT C 18 26.159 -1.002 10.267 1.00 0.00 C ATOM 3054 O4 DT C 18 26.910 -0.748 11.203 1.00 0.00 O ATOM 3055 C5 DT C 18 26.015 -2.305 9.651 1.00 0.00 C ATOM 3056 C7 DT C 18 26.897 -3.425 10.164 1.00 0.00 C ATOM 3057 C6 DT C 18 25.179 -2.468 8.602 1.00 0.00 C ATOM 0 H5' DT C 18 21.113 -4.582 6.969 1.00 0.00 H new ATOM 0 H5'' DT C 18 20.522 -4.415 5.327 1.00 0.00 H new ATOM 0 H4' DT C 18 21.366 -2.481 5.396 1.00 0.00 H new ATOM 0 H3' DT C 18 23.812 -3.965 4.603 1.00 0.00 H new ATOM 0 H2' DT C 18 25.275 -2.599 5.807 1.00 0.00 H new ATOM 0 H2'' DT C 18 24.610 -1.220 4.954 1.00 0.00 H new ATOM 0 H1' DT C 18 23.162 -0.668 6.672 1.00 0.00 H new ATOM 0 H3 DT C 18 25.369 0.900 10.184 1.00 0.00 H new ATOM 0 H71 DT C 18 27.838 -3.011 10.526 1.00 0.00 H new ATOM 0 H72 DT C 18 26.391 -3.942 10.979 1.00 0.00 H new ATOM 0 H73 DT C 18 27.097 -4.129 9.357 1.00 0.00 H new ATOM 0 H6 DT C 18 25.064 -3.453 8.175 1.00 0.00 H new ATOM 3070 P DA C 19 23.942 -2.119 2.411 1.00 0.00 P ATOM 3071 OP1 DA C 19 23.053 -1.927 1.244 1.00 0.00 O ATOM 3072 OP2 DA C 19 24.984 -3.169 2.380 1.00 0.00 O ATOM 3073 O5' DA C 19 24.584 -0.713 2.807 1.00 0.00 O ATOM 3074 C5' DA C 19 23.782 0.478 2.892 1.00 0.00 C ATOM 3075 C4' DA C 19 24.651 1.670 3.242 1.00 0.00 C ATOM 3076 O4' DA C 19 25.048 1.581 4.641 1.00 0.00 O ATOM 3077 C3' DA C 19 25.952 1.814 2.436 1.00 0.00 C ATOM 3078 O3' DA C 19 25.909 3.069 1.734 1.00 0.00 O ATOM 3079 C2' DA C 19 27.057 1.768 3.495 1.00 0.00 C ATOM 3080 C1' DA C 19 26.342 2.138 4.797 1.00 0.00 C ATOM 3081 N9 DA C 19 26.930 1.588 6.042 1.00 0.00 N ATOM 3082 C8 DA C 19 27.123 0.270 6.326 1.00 0.00 C ATOM 3083 N7 DA C 19 27.660 0.033 7.493 1.00 0.00 N ATOM 3084 C5 DA C 19 27.831 1.312 8.020 1.00 0.00 C ATOM 3085 C6 DA C 19 28.360 1.795 9.233 1.00 0.00 C ATOM 3086 N6 DA C 19 28.819 1.000 10.199 1.00 0.00 N ATOM 3087 N1 DA C 19 28.406 3.116 9.442 1.00 0.00 N ATOM 3088 C2 DA C 19 27.949 3.935 8.501 1.00 0.00 C ATOM 3089 N3 DA C 19 27.424 3.616 7.325 1.00 0.00 N ATOM 3090 C4 DA C 19 27.386 2.271 7.144 1.00 0.00 C ATOM 0 H5' DA C 19 23.006 0.350 3.647 1.00 0.00 H new ATOM 0 H5'' DA C 19 23.277 0.653 1.942 1.00 0.00 H new ATOM 0 H4' DA C 19 24.027 2.532 3.007 1.00 0.00 H new ATOM 0 H3' DA C 19 26.112 1.041 1.684 1.00 0.00 H new ATOM 0 H2' DA C 19 27.510 0.778 3.556 1.00 0.00 H new ATOM 0 H2'' DA C 19 27.858 2.471 3.266 1.00 0.00 H new ATOM 0 H1' DA C 19 26.395 3.219 4.927 1.00 0.00 H new ATOM 0 H8 DA C 19 26.853 -0.519 5.639 1.00 0.00 H new ATOM 0 H61 DA C 19 29.192 1.404 11.058 1.00 0.00 H new ATOM 0 H62 DA C 19 28.798 -0.013 10.079 1.00 0.00 H new ATOM 0 H2 DA C 19 28.013 4.991 8.720 1.00 0.00 H new ATOM 3102 P DT C 20 27.148 3.551 0.817 1.00 0.00 P ATOM 3103 OP1 DT C 20 26.592 4.413 -0.248 1.00 0.00 O ATOM 3104 OP2 DT C 20 28.064 2.439 0.476 1.00 0.00 O ATOM 3105 O5' DT C 20 27.937 4.522 1.794 1.00 0.00 O ATOM 3106 C5' DT C 20 27.323 5.703 2.311 1.00 0.00 C ATOM 3107 C4' DT C 20 28.319 6.461 3.158 1.00 0.00 C ATOM 3108 O4' DT C 20 28.480 5.704 4.383 1.00 0.00 O ATOM 3109 C3' DT C 20 29.730 6.614 2.550 1.00 0.00 C ATOM 3110 O3' DT C 20 30.040 7.996 2.259 1.00 0.00 O ATOM 3111 C2' DT C 20 30.671 6.009 3.585 1.00 0.00 C ATOM 3112 C1' DT C 20 29.804 5.853 4.843 1.00 0.00 C ATOM 3113 N1 DT C 20 30.177 4.655 5.668 1.00 0.00 N ATOM 3114 C2 DT C 20 30.771 4.883 6.910 1.00 0.00 C ATOM 3115 O2 DT C 20 30.968 5.996 7.384 1.00 0.00 O ATOM 3116 N3 DT C 20 31.162 3.757 7.618 1.00 0.00 N ATOM 3117 C4 DT C 20 31.053 2.453 7.181 1.00 0.00 C ATOM 3118 O4 DT C 20 31.373 1.524 7.918 1.00 0.00 O ATOM 3119 C5 DT C 20 30.480 2.312 5.860 1.00 0.00 C ATOM 3120 C7 DT C 20 30.536 0.943 5.223 1.00 0.00 C ATOM 3121 C6 DT C 20 30.034 3.392 5.189 1.00 0.00 C ATOM 0 H5' DT C 20 26.449 5.440 2.907 1.00 0.00 H new ATOM 0 H5'' DT C 20 26.973 6.332 1.492 1.00 0.00 H new ATOM 0 H4' DT C 20 27.920 7.469 3.277 1.00 0.00 H new ATOM 0 H3' DT C 20 29.820 6.107 1.589 1.00 0.00 H new ATOM 0 H2' DT C 20 31.064 5.049 3.252 1.00 0.00 H new ATOM 0 H2'' DT C 20 31.528 6.657 3.770 1.00 0.00 H new ATOM 0 H1' DT C 20 29.941 6.721 5.488 1.00 0.00 H new ATOM 0 H3 DT C 20 31.566 3.906 8.543 1.00 0.00 H new ATOM 0 H71 DT C 20 29.681 0.816 4.558 1.00 0.00 H new ATOM 0 H72 DT C 20 31.458 0.845 4.651 1.00 0.00 H new ATOM 0 H73 DT C 20 30.509 0.179 6.000 1.00 0.00 H new ATOM 0 H6 DT C 20 29.546 3.248 4.237 1.00 0.00 H new ATOM 3134 P DG C 21 30.336 9.060 3.436 1.00 0.00 P ATOM 3135 OP1 DG C 21 29.290 8.993 4.475 1.00 0.00 O ATOM 3136 OP2 DG C 21 30.560 10.333 2.717 1.00 0.00 O ATOM 3137 O5' DG C 21 31.735 8.635 4.062 1.00 0.00 O ATOM 3138 C5' DG C 21 32.471 9.537 4.889 1.00 0.00 C ATOM 3139 C4' DG C 21 33.774 8.893 5.308 1.00 0.00 C ATOM 3140 O4' DG C 21 33.455 7.658 5.994 1.00 0.00 O ATOM 3141 C3' DG C 21 34.720 8.451 4.175 1.00 0.00 C ATOM 3142 O3' DG C 21 35.683 9.464 3.747 1.00 0.00 O ATOM 3143 C2' DG C 21 35.418 7.229 4.754 1.00 0.00 C ATOM 3144 C1' DG C 21 34.648 6.901 6.050 1.00 0.00 C ATOM 3145 N9 DG C 21 34.319 5.482 6.227 1.00 0.00 N ATOM 3146 C8 DG C 21 33.713 4.627 5.360 1.00 0.00 C ATOM 3147 N7 DG C 21 33.674 3.385 5.739 1.00 0.00 N ATOM 3148 C5 DG C 21 34.281 3.428 6.989 1.00 0.00 C ATOM 3149 C6 DG C 21 34.593 2.365 7.879 1.00 0.00 C ATOM 3150 O6 DG C 21 34.344 1.172 7.738 1.00 0.00 O ATOM 3151 N1 DG C 21 35.283 2.793 8.999 1.00 0.00 N ATOM 3152 C2 DG C 21 35.628 4.096 9.251 1.00 0.00 C ATOM 3153 N2 DG C 21 36.279 4.354 10.377 1.00 0.00 N ATOM 3154 N3 DG C 21 35.366 5.102 8.410 1.00 0.00 N ATOM 3155 C4 DG C 21 34.684 4.705 7.301 1.00 0.00 C ATOM 0 H5' DG C 21 31.884 9.800 5.769 1.00 0.00 H new ATOM 0 H5'' DG C 21 32.668 10.463 4.349 1.00 0.00 H new ATOM 0 H4' DG C 21 34.279 9.664 5.890 1.00 0.00 H new ATOM 0 H3' DG C 21 34.160 8.254 3.260 1.00 0.00 H new ATOM 0 H2' DG C 21 35.390 6.392 4.056 1.00 0.00 H new ATOM 0 H2'' DG C 21 36.468 7.436 4.961 1.00 0.00 H new ATOM 0 H1' DG C 21 35.285 7.146 6.900 1.00 0.00 H new ATOM 0 H8 DG C 21 33.293 4.958 4.421 1.00 0.00 H new ATOM 0 H1 DG C 21 35.554 2.090 9.686 1.00 0.00 H new ATOM 0 H21 DG C 21 36.553 5.311 10.600 1.00 0.00 H new ATOM 0 H22 DG C 21 36.506 3.596 11.020 1.00 0.00 H new ATOM 3167 P DC C 22 36.803 10.095 4.748 1.00 0.00 P ATOM 3168 OP1 DC C 22 36.097 11.056 5.621 1.00 0.00 O ATOM 3169 OP2 DC C 22 37.900 10.582 3.885 1.00 0.00 O ATOM 3170 O5' DC C 22 37.365 8.926 5.673 1.00 0.00 O ATOM 3171 C5' DC C 22 37.887 9.215 6.982 1.00 0.00 C ATOM 3172 C4' DC C 22 38.894 8.161 7.392 1.00 0.00 C ATOM 3173 O4' DC C 22 38.189 6.923 7.602 1.00 0.00 O ATOM 3174 C3' DC C 22 39.982 7.813 6.371 1.00 0.00 C ATOM 3175 O3' DC C 22 41.127 8.645 6.570 1.00 0.00 O ATOM 3176 C2' DC C 22 40.325 6.362 6.694 1.00 0.00 C ATOM 3177 C1' DC C 22 39.101 5.841 7.482 1.00 0.00 C ATOM 3178 N1 DC C 22 38.383 4.698 6.845 1.00 0.00 N ATOM 3179 C2 DC C 22 38.512 3.442 7.422 1.00 0.00 C ATOM 3180 O2 DC C 22 39.217 3.265 8.412 1.00 0.00 O ATOM 3181 N3 DC C 22 37.839 2.390 6.871 1.00 0.00 N ATOM 3182 C4 DC C 22 37.105 2.566 5.765 1.00 0.00 C ATOM 3183 N4 DC C 22 36.385 1.544 5.323 1.00 0.00 N ATOM 3184 C5 DC C 22 36.989 3.846 5.133 1.00 0.00 C ATOM 3185 C6 DC C 22 37.632 4.873 5.723 1.00 0.00 C ATOM 0 H5' DC C 22 37.073 9.250 7.706 1.00 0.00 H new ATOM 0 H5'' DC C 22 38.358 10.198 6.984 1.00 0.00 H new ATOM 0 H4' DC C 22 39.384 8.592 8.265 1.00 0.00 H new ATOM 0 H3' DC C 22 39.662 7.957 5.339 1.00 0.00 H new ATOM 0 H2' DC C 22 40.489 5.781 5.786 1.00 0.00 H new ATOM 0 H2'' DC C 22 41.237 6.292 7.286 1.00 0.00 H new ATOM 0 HO3' DC C 22 41.817 8.414 5.914 1.00 0.00 H new ATOM 0 H1' DC C 22 39.472 5.468 8.436 1.00 0.00 H new ATOM 0 H41 DC C 22 35.815 1.647 4.483 1.00 0.00 H new ATOM 0 H42 DC C 22 36.401 0.655 5.823 1.00 0.00 H new ATOM 0 H5 DC C 22 36.415 3.981 4.228 1.00 0.00 H new ATOM 0 H6 DC C 22 37.549 5.861 5.294 1.00 0.00 H new TER 3198 DC C 22 END