USER MOD reduce.3.24.130724 H: found=0, std=0, add=1356, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1352 hydrogens (10 hets) HEADER HYDROLASE 31-MAR-14 4PZZ TITLE SECOND-SITE SCREENING OF K-RAS IN THE PRESENCE OF COVALENTLY ATTACHED TITLE 2 FIRST-SITE LIGANDS COMPND MOL_ID: 1; COMPND 2 MOLECULE: K-RAS; COMPND 3 CHAIN: A; COMPND 4 EC: 3.6.5.2; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_TAXID: 9606; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS SMALL GTPASE, SIGNALING TRANSDUCTION, SOS, RAF, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR Q.SUN,J.PHAN,A.FRIBERG,D.V.CAMPER,E.T.OLEJNICZAK,S.W.FESIK REVDAT 1 10-SEP-14 4PZZ 0 JRNL AUTH Q.SUN,J.PHAN,A.R.FRIBERG,D.V.CAMPER,E.T.OLEJNICZAK,S.W.FESIK JRNL TITL A METHOD FOR THE SECOND-SITE SCREENING OF K-RAS IN THE JRNL TITL 2 PRESENCE OF A COVALENTLY ATTACHED FIRST-SITE LIGAND. JRNL REF J.BIOMOL.NMR V. 60 11 2014 JRNL REFN ISSN 0925-2738 JRNL PMID 25087006 JRNL DOI 10.1007/S10858-014-9849-8 REMARK 2 REMARK 2 RESOLUTION. 1.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.8.4_1496) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.31 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.360 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.0 REMARK 3 NUMBER OF REFLECTIONS : 28456 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.132 REMARK 3 R VALUE (WORKING SET) : 0.131 REMARK 3 FREE R VALUE : 0.156 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.030 REMARK 3 FREE R VALUE TEST SET COUNT : 1431 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 28.3130 - 3.0209 1.00 3011 148 0.1282 0.1402 REMARK 3 2 3.0209 - 2.3982 1.00 2851 154 0.1360 0.1576 REMARK 3 3 2.3982 - 2.0952 1.00 2852 138 0.1204 0.1523 REMARK 3 4 2.0952 - 1.9036 1.00 2821 150 0.1261 0.1499 REMARK 3 5 1.9036 - 1.7672 1.00 2783 136 0.1318 0.1675 REMARK 3 6 1.7672 - 1.6630 1.00 2798 143 0.1350 0.1707 REMARK 3 7 1.6630 - 1.5798 1.00 2784 135 0.1303 0.1853 REMARK 3 8 1.5798 - 1.5110 1.00 2767 157 0.1372 0.1671 REMARK 3 9 1.5110 - 1.4528 0.85 2327 138 0.1426 0.1656 REMARK 3 10 1.4528 - 1.4027 0.74 2031 132 0.1526 0.1842 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.080 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 13.910 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.010 1422 REMARK 3 ANGLE : 1.385 1925 REMARK 3 CHIRALITY : 0.074 213 REMARK 3 PLANARITY : 0.006 246 REMARK 3 DIHEDRAL : 16.456 535 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4PZZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-APR-14. REMARK 100 THE RCSB ID CODE IS RCSB085431. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-SEP-12 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : BRUKER AXS MICROSTAR REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : BRUKER PLATINUM 135 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 28456 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.403 REMARK 200 RESOLUTION RANGE LOW (A) : 28.307 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.0 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.45 REMARK 200 COMPLETENESS FOR SHELL (%) : 74.3 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHENIX REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 35.21 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.90 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 24% PEG 4000, 0.1 M MMT PH 4.0, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 19.53800 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 45.83900 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 20.53150 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 45.83900 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 19.53800 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 20.53150 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OE2 GLU A 37 HE2 GLU A 62 1.58 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 LYS A 117 35.77 78.47 REMARK 500 ARG A 149 -1.05 80.51 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 202 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 309 O REMARK 620 2 HOH A 305 O 90.2 REMARK 620 3 HOH A 302 O 89.5 95.3 REMARK 620 4 HOH A 304 O 96.0 84.2 174.4 REMARK 620 5 SER A 17 OG 173.5 90.5 84.0 90.4 REMARK 620 6 GDP A 201 O3B 89.2 169.6 95.1 85.5 91.2 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 2XO A 203 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4PZY RELATED DB: PDB REMARK 900 RELATED ID: 4Q01 RELATED DB: PDB REMARK 900 RELATED ID: 4Q02 RELATED DB: PDB REMARK 900 RELATED ID: 4Q03 RELATED DB: PDB DBREF 4PZZ A 1 169 UNP P01116 RASK_HUMAN 1 169 SEQADV 4PZZ GLY A 0 UNP P01116 EXPRESSION TAG SEQADV 4PZZ VAL A 12 UNP P01116 GLY 12 ENGINEERED MUTATION SEQADV 4PZZ CYS A 39 UNP P01116 SER 39 ENGINEERED MUTATION SEQADV 4PZZ SER A 118 UNP P01116 CYS 118 ENGINEERED MUTATION SEQRES 1 A 170 GLY MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA VAL SEQRES 2 A 170 GLY VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN SEQRES 3 A 170 ASN HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SEQRES 4 A 170 CYS TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS SEQRES 5 A 170 LEU LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SEQRES 6 A 170 SER ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY SEQRES 7 A 170 PHE LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE SEQRES 8 A 170 GLU ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL SEQRES 9 A 170 LYS ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN SEQRES 10 A 170 LYS SER ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN SEQRES 11 A 170 ALA GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE SEQRES 12 A 170 GLU THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA SEQRES 13 A 170 PHE TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS GLU SEQRES 14 A 170 LYS HET GDP A 201 38 HET MG A 202 1 HET 2XO A 203 11 HETNAM GDP GUANOSINE-5'-DIPHOSPHATE HETNAM MG MAGNESIUM ION HETNAM 2XO 1H-BENZIMIDAZOL-2-YLMETHANETHIOL FORMUL 2 GDP C10 H15 N5 O11 P2 FORMUL 3 MG MG 2+ FORMUL 4 2XO C8 H8 N2 S FORMUL 5 HOH *304(H2 O) HELIX 1 1 GLY A 15 ASN A 26 1 12 HELIX 2 2 TYR A 64 GLY A 75 1 12 HELIX 3 3 ASN A 86 ASP A 92 1 7 HELIX 4 4 ASP A 92 ASP A 105 1 14 HELIX 5 5 ASP A 126 GLY A 138 1 13 HELIX 6 6 GLY A 151 GLU A 168 1 18 SHEET 1 A 6 ASP A 38 ILE A 46 0 SHEET 2 A 6 GLU A 49 ASP A 57 -1 O LEU A 53 N LYS A 42 SHEET 3 A 6 GLU A 3 VAL A 9 1 N TYR A 4 O LEU A 52 SHEET 4 A 6 GLY A 77 ALA A 83 1 O LEU A 79 N VAL A 9 SHEET 5 A 6 MET A 111 ASN A 116 1 O ASN A 116 N PHE A 82 SHEET 6 A 6 PHE A 141 GLU A 143 1 O ILE A 142 N LEU A 113 LINK MG MG A 202 O HOH A 309 1555 1555 2.06 LINK MG MG A 202 O HOH A 305 1555 1555 2.09 LINK MG MG A 202 O HOH A 302 1555 1555 2.09 LINK MG MG A 202 O HOH A 304 1555 1555 2.10 LINK OG SER A 17 MG MG A 202 1555 1555 2.17 LINK O3B GDP A 201 MG MG A 202 1555 1555 2.05 LINK SG CYS A 39 SAH 2XO A 203 1555 1555 2.07 SITE *** AC1 26 GLY A 13 VAL A 14 GLY A 15 LYS A 16 SITE *** AC1 26 SER A 17 ALA A 18 PHE A 28 ASP A 30 SITE *** AC1 26 TYR A 32 ASN A 116 LYS A 117 ASP A 119 SITE *** AC1 26 LEU A 120 SER A 145 ALA A 146 LYS A 147 SITE *** AC1 26 MG A 202 HOH A 302 HOH A 304 HOH A 309 SITE *** AC1 26 HOH A 321 HOH A 349 HOH A 431 HOH A 450 SITE *** AC1 26 HOH A 505 HOH A 579 SITE *** AC2 6 SER A 17 GDP A 201 HOH A 302 HOH A 304 SITE *** AC2 6 HOH A 305 HOH A 309 SITE *** AC3 5 VAL A 7 CYS A 39 ASP A 54 TYR A 71 SITE *** AC3 5 HOH A 401 CRYST1 39.076 41.063 91.678 90.00 90.00 90.00 P 21 21 21 4 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 0.025591 0.000000 0.000000 0.00000 SCALE2 0.000000 0.024353 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010908 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 40 TYR H : A 40 TYR N : A 39 CYS C :(H bumps) USER MOD Set 1.1: A 145 SER OG : rot 94:sc= 1.49 USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= -0.161 USER MOD Set 2.1: A 116 ASN : amide:sc= 0.541 K(o=1.4,f=-0.35) USER MOD Set 2.2: A 144 THR OG1 : rot 81:sc= 0.835 USER MOD Set 3.1: A 87 THR OG1 : rot -97:sc= 1.86 USER MOD Set 3.2: A 124 THR OG1 : rot 123:sc= 0.273 USER MOD Set 4.1: A 72 MET CE :methyl -127:sc= 0 (180deg=0) USER MOD Set 4.2: A 99 GLN : amide:sc= 0.491 X(o=0.49,f=0.61) USER MOD Set 5.1: A 1 MET CE :methyl -117:sc= -0.0186 (180deg=-0.154) USER MOD Set 5.2: A 43 GLN : amide:sc= -0.27 X(o=-0.29,f=-0.35!) USER MOD Set 6.1: A 32 TYR OH : rot 72:sc= 0.0729 USER MOD Set 6.2: A 40 TYR OH : rot 32:sc= 1.3 USER MOD Set 7.1: A 25 GLN : amide:sc= 0.975 X(o=0.74,f=0.78) USER MOD Set 7.2: A 27 HIS : no HD1:sc= -0.233 K(o=0.74,f=-4.5!) USER MOD Single : A 0 GLY N :NH3+ -166:sc= 0.592 (180deg=0.504) USER MOD Single : A 2 THR OG1 : rot 129:sc= 2.3 USER MOD Single : A 4 TYR OH : rot 167:sc= 2.8 USER MOD Single : A 5 LYS NZ :NH3+ 147:sc= 2.75 (180deg=0.992) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= 1.99 (180deg=1.66) USER MOD Single : A 20 THR OG1 : rot 80:sc= 0.486 USER MOD Single : A 22 GLN : amide:sc= -1.97! C(o=-2!,f=-5.5!) USER MOD Single : A 26 ASN : amide:sc= 1.79 X(o=1.8,f=1.4) USER MOD Single : A 35 THR OG1 : rot -59:sc= 1.8 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 1.69 (180deg=1.67) USER MOD Single : A 50 THR OG1 : rot -124:sc= 2.23 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -76:sc= 2.22 USER MOD Single : A 61 GLN : amide:sc=-0.00502 K(o=-0.005,f=-0.68) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 83:sc= 2.38 USER MOD Single : A 67 MET CE :methyl 178:sc= 0 (180deg=-0.01) USER MOD Single : A 70 GLN : amide:sc= 1.12 K(o=1.1,f=-0.5!) USER MOD Single : A 71 TYR OH : rot 147:sc= 2.35 USER MOD Single : A 74 THR OG1 : rot 84:sc= 0.256 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 2.16 K(o=2.2,f=-2.1!) USER MOD Single : A 86 ASN : amide:sc= 1.42 K(o=1.4,f=-3.8!) USER MOD Single : A 88 LYS NZ :NH3+ 170:sc= 1.08 (180deg=0.962) USER MOD Single : A 89 SER OG : rot -47:sc= 1.19 USER MOD Single : A 94 HIS : no HE2:sc= 1.05 K(o=1.1,f=-0.94!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 30:sc= 1.28 USER MOD Single : A 101 LYS NZ :NH3+ 149:sc= 1.03 (180deg=0.424) USER MOD Single : A 104 LYS NZ :NH3+ 159:sc= 1.39 (180deg=1.15) USER MOD Single : A 106 SER OG : rot 180:sc= 0.192 USER MOD Single : A 111 MET CE :methyl -171:sc= 0 (180deg=-0.0895) USER MOD Single : A 117 LYS NZ :NH3+ -176:sc= 1.65 (180deg=1.62) USER MOD Single : A 118 SER OG : rot 176:sc= 2.03 USER MOD Single : A 122 SER OG : rot -146:sc= 0.899 USER MOD Single : A 127 THR OG1 : rot -46:sc= 0.974 USER MOD Single : A 128 LYS NZ :NH3+ -161:sc= 1.97 (180deg=1.63) USER MOD Single : A 129 GLN : amide:sc= 0.779 K(o=0.78,f=-5!) USER MOD Single : A 131 GLN : amide:sc= 1.32 K(o=1.3,f=-0.88!) USER MOD Single : A 136 SER OG : rot -50:sc= 1.27 USER MOD Single : A 137 TYR OH : rot 165:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 171:sc=0.000454 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 2.07 X(o=2.1,f=2.1) USER MOD Single : A 157 TYR OH : rot -39:sc= 2.32 USER MOD Single : A 158 THR OG1 : rot 91:sc= 1.74 USER MOD Single : A 165 LYS NZ :NH3+ 169:sc= 2.32 (180deg=2!) USER MOD Single : A 166 HIS : no HE2:sc= 0.167 K(o=0.17,f=-0.8) USER MOD Single : A 167 LYS NZ :NH3+ 137:sc= 2.03 (180deg=0.647) USER MOD Single : A 169 LYS NZ :NH3+ -162:sc= 0.576 (180deg=0.413) USER MOD Single : A 201 GDP O2' : rot -174:sc= 0.619 USER MOD Single : A 201 GDP O3' : rot 130:sc= 0.831 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -28.745 4.381 7.770 1.00 8.65 N1+ ATOM 2 CA GLY A 0 -27.659 3.454 7.388 1.00 6.82 C ATOM 3 C GLY A 0 -26.359 4.199 7.330 1.00 7.72 C ATOM 4 O GLY A 0 -26.304 5.402 7.094 1.00 7.88 O ATOM 0 H1 GLY A 0 -29.467 3.914 8.001 1.00 8.65 H new ATOM 0 H2 GLY A 0 -28.482 4.880 8.459 1.00 8.65 H new ATOM 0 H3 GLY A 0 -28.942 4.908 7.081 1.00 8.65 H new ATOM 0 HA2 GLY A 0 -27.599 2.730 8.030 1.00 6.82 H new ATOM 0 HA3 GLY A 0 -27.852 3.053 6.526 1.00 6.82 H new ATOM 10 N MET A 1 -25.270 3.467 7.532 1.00 7.60 N ATOM 11 CA MET A 1 -23.943 4.026 7.308 1.00 8.56 C ATOM 12 C MET A 1 -23.857 4.496 5.855 1.00 9.40 C ATOM 13 O MET A 1 -24.557 3.998 4.963 1.00 8.99 O ATOM 14 CB MET A 1 -22.851 2.983 7.575 1.00 9.01 C ATOM 15 CG MET A 1 -22.828 1.782 6.601 1.00 9.77 C ATOM 16 SD MET A 1 -21.457 0.635 6.919 1.00 12.71 S ATOM 17 CE MET A 1 -22.033 -0.104 8.449 1.00 16.07 C ATOM 0 H MET A 1 -25.277 2.649 7.797 1.00 7.60 H new ATOM 0 HA MET A 1 -23.804 4.767 7.918 1.00 8.56 H new ATOM 0 HB2 MET A 1 -21.988 3.425 7.540 1.00 9.01 H new ATOM 0 HB3 MET A 1 -22.961 2.646 8.478 1.00 9.01 H new ATOM 0 HG2 MET A 1 -23.668 1.301 6.669 1.00 9.77 H new ATOM 0 HG3 MET A 1 -22.763 2.111 5.691 1.00 9.77 H new ATOM 0 HE1 MET A 1 -21.411 0.104 9.163 1.00 16.07 H new ATOM 0 HE2 MET A 1 -22.909 0.250 8.670 1.00 16.07 H new ATOM 0 HE3 MET A 1 -22.091 -1.066 8.342 1.00 16.07 H new ATOM 27 N THR A 2 -22.965 5.438 5.602 1.00 7.03 N ATOM 28 CA THR A 2 -22.757 5.916 4.251 1.00 7.76 C ATOM 29 C THR A 2 -22.216 4.803 3.358 1.00 7.58 C ATOM 30 O THR A 2 -21.333 4.025 3.748 1.00 8.27 O ATOM 31 CB THR A 2 -21.780 7.099 4.257 1.00 8.72 C ATOM 32 OG1 THR A 2 -22.396 8.192 4.953 1.00 9.36 O ATOM 33 CG2 THR A 2 -21.390 7.530 2.836 1.00 8.33 C ATOM 0 H THR A 2 -22.471 5.813 6.198 1.00 7.03 H new ATOM 0 HA THR A 2 -23.612 6.207 3.896 1.00 7.76 H new ATOM 0 HB THR A 2 -20.963 6.826 4.704 1.00 8.72 H new ATOM 0 HG1 THR A 2 -21.870 8.483 5.539 1.00 9.36 H new ATOM 0 HG21 THR A 2 -20.774 8.278 2.882 1.00 8.33 H new ATOM 0 HG22 THR A 2 -20.964 6.788 2.378 1.00 8.33 H new ATOM 0 HG23 THR A 2 -22.185 7.797 2.349 1.00 8.33 H new ATOM 41 N GLU A 3 -22.775 4.746 2.153 1.00 7.89 N ATOM 42 CA GLU A 3 -22.334 3.837 1.106 1.00 8.46 C ATOM 43 C GLU A 3 -21.724 4.634 -0.031 1.00 8.69 C ATOM 44 O GLU A 3 -22.279 5.651 -0.442 1.00 10.59 O ATOM 45 CB GLU A 3 -23.526 3.036 0.569 1.00 9.92 C ATOM 46 CG GLU A 3 -24.304 2.320 1.685 1.00 11.13 C ATOM 47 CD GLU A 3 -25.435 1.420 1.201 1.00 23.48 C ATOM 48 OE1 GLU A 3 -25.606 1.248 -0.019 1.00 18.82 O ATOM 49 OE2 GLU A 3 -26.173 0.893 2.066 1.00 20.34 O1- ATOM 0 H GLU A 3 -23.434 5.246 1.919 1.00 7.89 H new ATOM 0 HA GLU A 3 -21.676 3.228 1.475 1.00 8.46 H new ATOM 0 HB2 GLU A 3 -24.125 3.632 0.093 1.00 9.92 H new ATOM 0 HB3 GLU A 3 -23.209 2.381 -0.072 1.00 9.92 H new ATOM 0 HG2 GLU A 3 -23.682 1.786 2.204 1.00 11.13 H new ATOM 0 HG3 GLU A 3 -24.673 2.988 2.284 1.00 11.13 H new ATOM 56 N TYR A 4 -20.564 4.191 -0.514 1.00 7.55 N ATOM 57 CA TYR A 4 -19.879 4.845 -1.631 1.00 6.32 C ATOM 58 C TYR A 4 -19.991 3.928 -2.832 1.00 8.51 C ATOM 59 O TYR A 4 -19.539 2.783 -2.792 1.00 7.62 O ATOM 60 CB TYR A 4 -18.409 5.102 -1.301 1.00 7.64 C ATOM 61 CG TYR A 4 -18.216 6.097 -0.175 1.00 7.70 C ATOM 62 CD1 TYR A 4 -18.318 7.466 -0.403 1.00 8.54 C ATOM 63 CD2 TYR A 4 -17.929 5.675 1.102 1.00 7.96 C ATOM 64 CE1 TYR A 4 -18.152 8.380 0.620 1.00 7.75 C ATOM 65 CE2 TYR A 4 -17.772 6.590 2.148 1.00 7.28 C ATOM 66 CZ TYR A 4 -17.869 7.940 1.892 1.00 7.62 C ATOM 67 OH TYR A 4 -17.688 8.882 2.901 1.00 8.09 O ATOM 0 H TYR A 4 -20.151 3.503 -0.204 1.00 7.55 H new ATOM 0 HA TYR A 4 -20.288 5.706 -1.812 1.00 6.32 H new ATOM 0 HB2 TYR A 4 -17.986 4.263 -1.060 1.00 7.64 H new ATOM 0 HB3 TYR A 4 -17.958 5.429 -2.095 1.00 7.64 H new ATOM 0 HD1 TYR A 4 -18.502 7.772 -1.262 1.00 8.54 H new ATOM 0 HD2 TYR A 4 -17.838 4.765 1.273 1.00 7.96 H new ATOM 0 HE1 TYR A 4 -18.231 9.291 0.449 1.00 7.75 H new ATOM 0 HE2 TYR A 4 -17.603 6.289 3.011 1.00 7.28 H new ATOM 0 HH TYR A 4 -17.697 8.498 3.648 1.00 8.09 H new ATOM 77 N LYS A 5 -20.616 4.442 -3.879 1.00 7.56 N ATOM 78 CA LYS A 5 -20.804 3.681 -5.119 1.00 8.08 C ATOM 79 C LYS A 5 -19.630 3.900 -6.052 1.00 6.64 C ATOM 80 O LYS A 5 -19.479 4.980 -6.657 1.00 7.51 O ATOM 81 CB LYS A 5 -22.099 4.110 -5.786 1.00 8.99 C ATOM 82 CG LYS A 5 -23.317 3.703 -4.983 1.00 11.01 C ATOM 83 CD LYS A 5 -24.576 4.353 -5.574 1.00 18.32 C ATOM 84 CE LYS A 5 -25.864 3.888 -4.896 1.00 22.86 C ATOM 85 NZ LYS A 5 -25.902 4.229 -3.436 1.00 20.40 N1+ ATOM 0 H LYS A 5 -20.944 5.237 -3.898 1.00 7.56 H new ATOM 0 HA LYS A 5 -20.854 2.735 -4.909 1.00 8.08 H new ATOM 0 HB2 LYS A 5 -22.097 5.073 -5.903 1.00 8.99 H new ATOM 0 HB3 LYS A 5 -22.151 3.717 -6.671 1.00 8.99 H new ATOM 0 HG2 LYS A 5 -23.409 2.737 -4.988 1.00 11.01 H new ATOM 0 HG3 LYS A 5 -23.209 3.973 -4.058 1.00 11.01 H new ATOM 0 HD2 LYS A 5 -24.504 5.317 -5.493 1.00 18.32 H new ATOM 0 HD3 LYS A 5 -24.624 4.150 -6.521 1.00 18.32 H new ATOM 0 HE2 LYS A 5 -26.624 4.295 -5.340 1.00 22.86 H new ATOM 0 HE3 LYS A 5 -25.954 2.928 -5.003 1.00 22.86 H new ATOM 0 HZ1 LYS A 5 -26.741 4.399 -3.192 1.00 20.40 H new ATOM 0 HZ2 LYS A 5 -25.589 3.544 -2.963 1.00 20.40 H new ATOM 0 HZ3 LYS A 5 -25.399 4.948 -3.286 1.00 20.40 H new ATOM 99 N LEU A 6 -18.806 2.862 -6.190 1.00 6.77 N ATOM 100 CA LEU A 6 -17.564 2.933 -6.950 1.00 6.58 C ATOM 101 C LEU A 6 -17.689 2.058 -8.178 1.00 7.31 C ATOM 102 O LEU A 6 -18.250 0.963 -8.124 1.00 8.42 O ATOM 103 CB LEU A 6 -16.398 2.446 -6.090 1.00 6.20 C ATOM 104 CG LEU A 6 -16.270 2.995 -4.675 1.00 6.80 C ATOM 105 CD1 LEU A 6 -15.034 2.454 -3.981 1.00 7.53 C ATOM 106 CD2 LEU A 6 -16.245 4.509 -4.683 1.00 7.81 C ATOM 0 H LEU A 6 -18.956 2.090 -5.841 1.00 6.77 H new ATOM 0 HA LEU A 6 -17.397 3.851 -7.214 1.00 6.58 H new ATOM 0 HB2 LEU A 6 -16.458 1.480 -6.029 1.00 6.20 H new ATOM 0 HB3 LEU A 6 -15.576 2.650 -6.563 1.00 6.20 H new ATOM 0 HG LEU A 6 -17.049 2.700 -4.178 1.00 6.80 H new ATOM 0 HD11 LEU A 6 -14.980 2.820 -3.084 1.00 7.53 H new ATOM 0 HD12 LEU A 6 -15.087 1.487 -3.932 1.00 7.53 H new ATOM 0 HD13 LEU A 6 -14.244 2.709 -4.482 1.00 7.53 H new ATOM 0 HD21 LEU A 6 -16.163 4.836 -3.774 1.00 7.81 H new ATOM 0 HD22 LEU A 6 -15.489 4.818 -5.206 1.00 7.81 H new ATOM 0 HD23 LEU A 6 -17.067 4.844 -5.074 1.00 7.81 H new ATOM 118 N VAL A 7 -17.114 2.516 -9.286 1.00 6.04 N ATOM 119 CA VAL A 7 -17.162 1.790 -10.544 1.00 7.17 C ATOM 120 C VAL A 7 -15.730 1.615 -11.048 1.00 6.74 C ATOM 121 O VAL A 7 -14.984 2.604 -11.149 1.00 7.95 O ATOM 122 CB VAL A 7 -17.990 2.540 -11.596 1.00 6.63 C ATOM 123 CG1 VAL A 7 -18.039 1.742 -12.896 1.00 7.18 C ATOM 124 CG2 VAL A 7 -19.396 2.835 -11.080 1.00 8.39 C ATOM 0 H VAL A 7 -16.684 3.260 -9.326 1.00 6.04 H new ATOM 0 HA VAL A 7 -17.586 0.930 -10.397 1.00 7.17 H new ATOM 0 HB VAL A 7 -17.560 3.391 -11.775 1.00 6.63 H new ATOM 0 HG11 VAL A 7 -18.564 2.225 -13.553 1.00 7.18 H new ATOM 0 HG12 VAL A 7 -17.138 1.616 -13.233 1.00 7.18 H new ATOM 0 HG13 VAL A 7 -18.446 0.877 -12.730 1.00 7.18 H new ATOM 0 HG21 VAL A 7 -19.898 3.308 -11.762 1.00 8.39 H new ATOM 0 HG22 VAL A 7 -19.845 2.001 -10.869 1.00 8.39 H new ATOM 0 HG23 VAL A 7 -19.340 3.383 -10.282 1.00 8.39 H new ATOM 134 N VAL A 8 -15.350 0.382 -11.370 1.00 6.26 N ATOM 135 CA VAL A 8 -14.014 0.090 -11.862 1.00 5.74 C ATOM 136 C VAL A 8 -14.124 -0.110 -13.375 1.00 7.40 C ATOM 137 O VAL A 8 -14.815 -1.043 -13.825 1.00 7.48 O ATOM 138 CB VAL A 8 -13.447 -1.183 -11.207 1.00 7.90 C ATOM 139 CG1 VAL A 8 -12.011 -1.414 -11.632 1.00 7.38 C ATOM 140 CG2 VAL A 8 -13.561 -1.101 -9.667 1.00 7.43 C ATOM 0 H VAL A 8 -15.861 -0.307 -11.308 1.00 6.26 H new ATOM 0 HA VAL A 8 -13.413 0.820 -11.645 1.00 5.74 H new ATOM 0 HB VAL A 8 -13.973 -1.940 -11.509 1.00 7.90 H new ATOM 0 HG11 VAL A 8 -11.674 -2.219 -11.209 1.00 7.38 H new ATOM 0 HG12 VAL A 8 -11.971 -1.514 -12.596 1.00 7.38 H new ATOM 0 HG13 VAL A 8 -11.468 -0.656 -11.363 1.00 7.38 H new ATOM 0 HG21 VAL A 8 -13.200 -1.910 -9.272 1.00 7.43 H new ATOM 0 HG22 VAL A 8 -13.062 -0.334 -9.346 1.00 7.43 H new ATOM 0 HG23 VAL A 8 -14.493 -1.008 -9.416 1.00 7.43 H new ATOM 150 N VAL A 9 -13.459 0.751 -14.147 1.00 6.67 N ATOM 151 CA VAL A 9 -13.490 0.709 -15.614 1.00 7.14 C ATOM 152 C VAL A 9 -12.092 0.566 -16.189 1.00 6.70 C ATOM 153 O VAL A 9 -11.105 0.801 -15.497 1.00 7.79 O ATOM 154 CB VAL A 9 -14.142 1.957 -16.217 1.00 7.65 C ATOM 155 CG1 VAL A 9 -15.538 2.181 -15.626 1.00 7.73 C ATOM 156 CG2 VAL A 9 -13.256 3.198 -16.041 1.00 7.34 C ATOM 0 H VAL A 9 -12.971 1.384 -13.831 1.00 6.67 H new ATOM 0 HA VAL A 9 -14.024 -0.066 -15.849 1.00 7.14 H new ATOM 0 HB VAL A 9 -14.240 1.808 -17.170 1.00 7.65 H new ATOM 0 HG11 VAL A 9 -15.933 2.974 -16.020 1.00 7.73 H new ATOM 0 HG12 VAL A 9 -16.098 1.412 -15.818 1.00 7.73 H new ATOM 0 HG13 VAL A 9 -15.468 2.298 -14.666 1.00 7.73 H new ATOM 0 HG21 VAL A 9 -13.696 3.968 -16.432 1.00 7.34 H new ATOM 0 HG22 VAL A 9 -13.106 3.357 -15.096 1.00 7.34 H new ATOM 0 HG23 VAL A 9 -12.405 3.053 -16.483 1.00 7.34 H new ATOM 166 N GLY A 10 -12.012 0.185 -17.458 1.00 7.37 N ATOM 167 CA GLY A 10 -10.747 -0.017 -18.147 1.00 7.60 C ATOM 168 C GLY A 10 -10.827 -1.168 -19.136 1.00 7.82 C ATOM 169 O GLY A 10 -11.757 -1.985 -19.084 1.00 8.05 O ATOM 0 H GLY A 10 -12.702 0.035 -17.949 1.00 7.37 H new ATOM 0 HA2 GLY A 10 -10.499 0.796 -18.615 1.00 7.60 H new ATOM 0 HA3 GLY A 10 -10.049 -0.195 -17.498 1.00 7.60 H new ATOM 173 N ALA A 11 -9.863 -1.216 -20.042 1.00 7.78 N ATOM 174 CA ALA A 11 -9.817 -2.263 -21.067 1.00 7.98 C ATOM 175 C ALA A 11 -9.827 -3.673 -20.497 1.00 8.45 C ATOM 176 O ALA A 11 -9.384 -3.931 -19.392 1.00 7.94 O ATOM 177 CB ALA A 11 -8.590 -2.067 -21.929 1.00 8.59 C ATOM 0 H ALA A 11 -9.218 -0.649 -20.085 1.00 7.78 H new ATOM 0 HA ALA A 11 -10.626 -2.176 -21.594 1.00 7.98 H new ATOM 0 HB1 ALA A 11 -8.557 -2.759 -22.608 1.00 8.59 H new ATOM 0 HB2 ALA A 11 -8.630 -1.197 -22.356 1.00 8.59 H new ATOM 0 HB3 ALA A 11 -7.794 -2.119 -21.377 1.00 8.59 H new ATOM 183 N VAL A 12 -10.293 -4.631 -21.287 1.00 10.35 N ATOM 184 CA VAL A 12 -10.253 -6.004 -20.868 1.00 10.01 C ATOM 185 C VAL A 12 -8.819 -6.421 -20.607 1.00 10.94 C ATOM 186 O VAL A 12 -7.917 -6.094 -21.358 1.00 11.34 O ATOM 187 CB VAL A 12 -10.949 -6.929 -21.937 1.00 11.83 C ATOM 188 CG1 VAL A 12 -10.159 -6.995 -23.235 1.00 14.44 C ATOM 189 CG2 VAL A 12 -11.169 -8.332 -21.364 1.00 10.01 C ATOM 0 H VAL A 12 -10.634 -4.499 -22.065 1.00 10.35 H new ATOM 0 HA VAL A 12 -10.748 -6.102 -20.039 1.00 10.01 H new ATOM 0 HB VAL A 12 -11.811 -6.536 -22.147 1.00 11.83 H new ATOM 0 HG11 VAL A 12 -10.619 -7.572 -23.865 1.00 14.44 H new ATOM 0 HG12 VAL A 12 -10.080 -6.105 -23.611 1.00 14.44 H new ATOM 0 HG13 VAL A 12 -9.274 -7.351 -23.058 1.00 14.44 H new ATOM 0 HG21 VAL A 12 -11.598 -8.891 -22.031 1.00 10.01 H new ATOM 0 HG22 VAL A 12 -10.314 -8.719 -21.119 1.00 10.01 H new ATOM 0 HG23 VAL A 12 -11.735 -8.276 -20.578 1.00 10.01 H new ATOM 199 N GLY A 13 -8.617 -7.147 -19.525 1.00 8.56 N ATOM 200 CA GLY A 13 -7.337 -7.722 -19.188 1.00 8.60 C ATOM 201 C GLY A 13 -6.467 -6.882 -18.277 1.00 8.84 C ATOM 202 O GLY A 13 -5.393 -7.329 -17.924 1.00 9.90 O ATOM 0 H GLY A 13 -9.236 -7.322 -18.954 1.00 8.56 H new ATOM 0 HA2 GLY A 13 -7.487 -8.582 -18.764 1.00 8.60 H new ATOM 0 HA3 GLY A 13 -6.850 -7.892 -20.009 1.00 8.60 H new ATOM 206 N VAL A 14 -6.891 -5.676 -17.910 1.00 7.94 N ATOM 207 CA VAL A 14 -6.021 -4.804 -17.123 1.00 7.70 C ATOM 208 C VAL A 14 -5.929 -5.177 -15.658 1.00 6.79 C ATOM 209 O VAL A 14 -4.970 -4.804 -15.000 1.00 8.20 O ATOM 210 CB VAL A 14 -6.371 -3.299 -17.248 1.00 7.83 C ATOM 211 CG1 VAL A 14 -6.286 -2.825 -18.701 1.00 8.28 C ATOM 212 CG2 VAL A 14 -7.737 -2.996 -16.708 1.00 7.90 C ATOM 0 H VAL A 14 -7.663 -5.348 -18.101 1.00 7.94 H new ATOM 0 HA VAL A 14 -5.149 -4.951 -17.522 1.00 7.70 H new ATOM 0 HB VAL A 14 -5.715 -2.820 -16.718 1.00 7.83 H new ATOM 0 HG11 VAL A 14 -6.510 -1.882 -18.748 1.00 8.28 H new ATOM 0 HG12 VAL A 14 -5.385 -2.960 -19.033 1.00 8.28 H new ATOM 0 HG13 VAL A 14 -6.910 -3.332 -19.244 1.00 8.28 H new ATOM 0 HG21 VAL A 14 -7.920 -2.048 -16.803 1.00 7.90 H new ATOM 0 HG22 VAL A 14 -8.400 -3.504 -17.201 1.00 7.90 H new ATOM 0 HG23 VAL A 14 -7.776 -3.240 -15.770 1.00 7.90 H new ATOM 222 N GLY A 15 -6.913 -5.915 -15.150 1.00 7.85 N ATOM 223 CA GLY A 15 -6.942 -6.333 -13.763 1.00 8.30 C ATOM 224 C GLY A 15 -8.080 -5.756 -12.936 1.00 7.48 C ATOM 225 O GLY A 15 -7.966 -5.702 -11.713 1.00 7.40 O ATOM 0 H GLY A 15 -7.587 -6.187 -15.610 1.00 7.85 H new ATOM 0 HA2 GLY A 15 -6.998 -7.301 -13.733 1.00 8.30 H new ATOM 0 HA3 GLY A 15 -6.101 -6.085 -13.348 1.00 8.30 H new ATOM 229 N LYS A 16 -9.165 -5.326 -13.572 1.00 6.37 N ATOM 230 CA LYS A 16 -10.294 -4.789 -12.814 1.00 7.83 C ATOM 231 C LYS A 16 -10.836 -5.834 -11.836 1.00 7.36 C ATOM 232 O LYS A 16 -11.098 -5.532 -10.673 1.00 7.70 O ATOM 233 CB LYS A 16 -11.403 -4.368 -13.751 1.00 6.98 C ATOM 234 CG LYS A 16 -11.006 -3.287 -14.761 1.00 7.66 C ATOM 235 CD LYS A 16 -12.140 -2.871 -15.680 1.00 8.27 C ATOM 236 CE LYS A 16 -12.651 -4.015 -16.533 1.00 8.94 C ATOM 237 NZ LYS A 16 -11.646 -4.478 -17.533 1.00 10.47 N1+ ATOM 0 H LYS A 16 -9.269 -5.335 -14.426 1.00 6.37 H new ATOM 0 HA LYS A 16 -9.979 -4.019 -12.316 1.00 7.83 H new ATOM 0 HB2 LYS A 16 -11.715 -5.148 -14.236 1.00 6.98 H new ATOM 0 HB3 LYS A 16 -12.150 -4.044 -13.224 1.00 6.98 H new ATOM 0 HG2 LYS A 16 -10.686 -2.507 -14.281 1.00 7.66 H new ATOM 0 HG3 LYS A 16 -10.267 -3.612 -15.298 1.00 7.66 H new ATOM 0 HD2 LYS A 16 -12.870 -2.518 -15.148 1.00 8.27 H new ATOM 0 HD3 LYS A 16 -11.837 -2.153 -16.257 1.00 8.27 H new ATOM 0 HE2 LYS A 16 -12.897 -4.757 -15.959 1.00 8.94 H new ATOM 0 HE3 LYS A 16 -13.457 -3.735 -16.995 1.00 8.94 H new ATOM 0 HZ1 LYS A 16 -12.050 -4.974 -18.152 1.00 10.47 H new ATOM 0 HZ2 LYS A 16 -11.265 -3.773 -17.920 1.00 10.47 H new ATOM 0 HZ3 LYS A 16 -11.023 -4.964 -17.124 1.00 10.47 H new ATOM 251 N SER A 17 -11.080 -7.045 -12.318 1.00 7.36 N ATOM 252 CA SER A 17 -11.628 -8.080 -11.444 1.00 6.51 C ATOM 253 C SER A 17 -10.623 -8.479 -10.377 1.00 8.49 C ATOM 254 O SER A 17 -10.991 -8.623 -9.205 1.00 8.68 O ATOM 255 CB SER A 17 -12.053 -9.296 -12.251 1.00 8.32 C ATOM 256 OG SER A 17 -13.122 -8.979 -13.120 1.00 7.38 O ATOM 0 H SER A 17 -10.940 -7.288 -13.131 1.00 7.36 H new ATOM 0 HA SER A 17 -12.410 -7.714 -11.003 1.00 6.51 H new ATOM 0 HB2 SER A 17 -11.300 -9.626 -12.766 1.00 8.32 H new ATOM 0 HB3 SER A 17 -12.320 -10.009 -11.651 1.00 8.32 H new ATOM 261 N ALA A 18 -9.361 -8.662 -10.750 1.00 8.43 N ATOM 262 CA ALA A 18 -8.353 -9.023 -9.762 1.00 7.72 C ATOM 263 C ALA A 18 -8.219 -7.941 -8.676 1.00 9.18 C ATOM 264 O ALA A 18 -8.076 -8.241 -7.486 1.00 8.75 O ATOM 265 CB ALA A 18 -7.011 -9.262 -10.441 1.00 9.22 C ATOM 0 H ALA A 18 -9.072 -8.584 -11.556 1.00 8.43 H new ATOM 0 HA ALA A 18 -8.639 -9.843 -9.330 1.00 7.72 H new ATOM 0 HB1 ALA A 18 -6.349 -9.501 -9.774 1.00 9.22 H new ATOM 0 HB2 ALA A 18 -7.097 -9.983 -11.084 1.00 9.22 H new ATOM 0 HB3 ALA A 18 -6.731 -8.454 -10.898 1.00 9.22 H new ATOM 271 N LEU A 19 -8.276 -6.681 -9.077 1.00 7.06 N ATOM 272 CA LEU A 19 -8.185 -5.600 -8.094 1.00 7.90 C ATOM 273 C LEU A 19 -9.372 -5.631 -7.130 1.00 6.62 C ATOM 274 O LEU A 19 -9.207 -5.492 -5.931 1.00 7.63 O ATOM 275 CB LEU A 19 -8.135 -4.242 -8.789 1.00 7.35 C ATOM 276 CG LEU A 19 -6.782 -3.821 -9.343 1.00 7.66 C ATOM 277 CD1 LEU A 19 -6.981 -2.634 -10.240 1.00 8.57 C ATOM 278 CD2 LEU A 19 -5.811 -3.502 -8.231 1.00 8.41 C ATOM 0 H LEU A 19 -8.365 -6.428 -9.894 1.00 7.06 H new ATOM 0 HA LEU A 19 -7.367 -5.733 -7.590 1.00 7.90 H new ATOM 0 HB2 LEU A 19 -8.774 -4.249 -9.518 1.00 7.35 H new ATOM 0 HB3 LEU A 19 -8.430 -3.566 -8.159 1.00 7.35 H new ATOM 0 HG LEU A 19 -6.399 -4.553 -9.851 1.00 7.66 H new ATOM 0 HD11 LEU A 19 -6.125 -2.354 -10.601 1.00 8.57 H new ATOM 0 HD12 LEU A 19 -7.576 -2.874 -10.968 1.00 8.57 H new ATOM 0 HD13 LEU A 19 -7.371 -1.906 -9.732 1.00 8.57 H new ATOM 0 HD21 LEU A 19 -4.959 -3.237 -8.611 1.00 8.41 H new ATOM 0 HD22 LEU A 19 -6.163 -2.777 -7.692 1.00 8.41 H new ATOM 0 HD23 LEU A 19 -5.686 -4.287 -7.675 1.00 8.41 H new ATOM 290 N THR A 20 -10.559 -5.825 -7.676 1.00 7.56 N ATOM 291 CA THR A 20 -11.751 -5.817 -6.859 1.00 7.41 C ATOM 292 C THR A 20 -11.753 -6.990 -5.873 1.00 7.13 C ATOM 293 O THR A 20 -12.041 -6.834 -4.691 1.00 8.28 O ATOM 294 CB THR A 20 -13.014 -5.834 -7.765 1.00 8.40 C ATOM 295 OG1 THR A 20 -13.002 -4.697 -8.644 1.00 10.02 O ATOM 296 CG2 THR A 20 -14.260 -5.788 -6.924 1.00 10.88 C ATOM 0 H THR A 20 -10.694 -5.962 -8.514 1.00 7.56 H new ATOM 0 HA THR A 20 -11.762 -5.002 -6.333 1.00 7.41 H new ATOM 0 HB THR A 20 -13.007 -6.652 -8.286 1.00 8.40 H new ATOM 0 HG1 THR A 20 -12.491 -4.849 -9.293 1.00 10.02 H new ATOM 0 HG21 THR A 20 -15.040 -5.799 -7.500 1.00 10.88 H new ATOM 0 HG22 THR A 20 -14.282 -6.559 -6.336 1.00 10.88 H new ATOM 0 HG23 THR A 20 -14.262 -4.976 -6.393 1.00 10.88 H new ATOM 304 N ILE A 21 -11.435 -8.178 -6.351 1.00 8.52 N ATOM 305 CA ILE A 21 -11.437 -9.351 -5.496 1.00 9.03 C ATOM 306 C ILE A 21 -10.333 -9.250 -4.451 1.00 10.37 C ATOM 307 O ILE A 21 -10.521 -9.658 -3.310 1.00 10.85 O ATOM 308 CB ILE A 21 -11.312 -10.637 -6.346 1.00 10.91 C ATOM 309 CG1 ILE A 21 -12.564 -10.784 -7.218 1.00 10.53 C ATOM 310 CG2 ILE A 21 -11.073 -11.875 -5.460 1.00 13.58 C ATOM 311 CD1 ILE A 21 -12.483 -11.856 -8.328 1.00 16.06 C ATOM 0 H ILE A 21 -11.214 -8.329 -7.168 1.00 8.52 H new ATOM 0 HA ILE A 21 -12.282 -9.396 -5.022 1.00 9.03 H new ATOM 0 HB ILE A 21 -10.537 -10.566 -6.926 1.00 10.91 H new ATOM 0 HG12 ILE A 21 -13.316 -10.993 -6.643 1.00 10.53 H new ATOM 0 HG13 ILE A 21 -12.753 -9.927 -7.631 1.00 10.53 H new ATOM 0 HG21 ILE A 21 -10.999 -12.664 -6.019 1.00 13.58 H new ATOM 0 HG22 ILE A 21 -10.253 -11.759 -4.956 1.00 13.58 H new ATOM 0 HG23 ILE A 21 -11.817 -11.983 -4.847 1.00 13.58 H new ATOM 0 HD11 ILE A 21 -13.317 -11.874 -8.823 1.00 16.06 H new ATOM 0 HD12 ILE A 21 -11.754 -11.643 -8.932 1.00 16.06 H new ATOM 0 HD13 ILE A 21 -12.326 -12.726 -7.928 1.00 16.06 H new ATOM 323 N GLN A 22 -9.176 -8.695 -4.806 1.00 9.47 N ATOM 324 CA GLN A 22 -8.127 -8.479 -3.816 1.00 12.31 C ATOM 325 C GLN A 22 -8.607 -7.497 -2.752 1.00 12.01 C ATOM 326 O GLN A 22 -8.404 -7.712 -1.538 1.00 13.61 O ATOM 327 CB GLN A 22 -6.866 -7.976 -4.531 1.00 13.70 C ATOM 328 CG GLN A 22 -5.626 -7.840 -3.715 1.00 15.49 C ATOM 329 CD GLN A 22 -5.196 -9.128 -3.042 1.00 13.28 C ATOM 330 OE1 GLN A 22 -5.638 -9.411 -1.941 1.00 15.69 O ATOM 331 NE2 GLN A 22 -4.318 -9.894 -3.681 1.00 11.13 N ATOM 0 H GLN A 22 -8.981 -8.440 -5.604 1.00 9.47 H new ATOM 0 HA GLN A 22 -7.913 -9.310 -3.364 1.00 12.31 H new ATOM 0 HB2 GLN A 22 -6.677 -8.580 -5.266 1.00 13.70 H new ATOM 0 HB3 GLN A 22 -7.066 -7.110 -4.919 1.00 13.70 H new ATOM 0 HG2 GLN A 22 -4.906 -7.526 -4.285 1.00 15.49 H new ATOM 0 HG3 GLN A 22 -5.768 -7.161 -3.037 1.00 15.49 H new ATOM 0 HE21 GLN A 22 -4.029 -9.661 -4.457 1.00 11.13 H new ATOM 0 HE22 GLN A 22 -4.039 -10.622 -3.319 1.00 11.13 H new ATOM 340 N LEU A 23 -9.285 -6.433 -3.164 1.00 10.09 N ATOM 341 CA LEU A 23 -9.801 -5.485 -2.204 1.00 10.56 C ATOM 342 C LEU A 23 -10.778 -6.139 -1.246 1.00 14.65 C ATOM 343 O LEU A 23 -10.667 -6.008 -0.018 1.00 14.91 O ATOM 344 CB LEU A 23 -10.511 -4.330 -2.909 1.00 9.99 C ATOM 345 CG LEU A 23 -11.122 -3.310 -1.937 1.00 14.04 C ATOM 346 CD1 LEU A 23 -10.106 -2.401 -1.272 1.00 12.21 C ATOM 347 CD2 LEU A 23 -12.176 -2.538 -2.616 1.00 18.83 C ATOM 0 H LEU A 23 -9.453 -6.248 -3.987 1.00 10.09 H new ATOM 0 HA LEU A 23 -9.041 -5.149 -1.704 1.00 10.56 H new ATOM 0 HB2 LEU A 23 -9.880 -3.877 -3.490 1.00 9.99 H new ATOM 0 HB3 LEU A 23 -11.212 -4.687 -3.476 1.00 9.99 H new ATOM 0 HG LEU A 23 -11.512 -3.820 -1.210 1.00 14.04 H new ATOM 0 HD11 LEU A 23 -10.562 -1.787 -0.676 1.00 12.21 H new ATOM 0 HD12 LEU A 23 -9.476 -2.936 -0.764 1.00 12.21 H new ATOM 0 HD13 LEU A 23 -9.629 -1.898 -1.950 1.00 12.21 H new ATOM 0 HD21 LEU A 23 -12.557 -1.896 -1.997 1.00 18.83 H new ATOM 0 HD22 LEU A 23 -11.795 -2.068 -3.374 1.00 18.83 H new ATOM 0 HD23 LEU A 23 -12.871 -3.140 -2.925 1.00 18.83 H new ATOM 359 N ILE A 24 -11.744 -6.846 -1.817 1.00 11.89 N ATOM 360 CA ILE A 24 -12.867 -7.379 -1.034 1.00 13.00 C ATOM 361 C ILE A 24 -12.464 -8.621 -0.228 1.00 15.89 C ATOM 362 O ILE A 24 -12.786 -8.719 0.965 1.00 16.96 O ATOM 363 CB ILE A 24 -14.063 -7.713 -1.961 1.00 12.80 C ATOM 364 CG1 ILE A 24 -14.537 -6.473 -2.743 1.00 15.48 C ATOM 365 CG2 ILE A 24 -15.241 -8.338 -1.163 1.00 13.36 C ATOM 366 CD1 ILE A 24 -15.330 -5.468 -1.955 1.00 17.55 C ATOM 0 H ILE A 24 -11.774 -7.032 -2.656 1.00 11.89 H new ATOM 0 HA ILE A 24 -13.132 -6.691 -0.404 1.00 13.00 H new ATOM 0 HB ILE A 24 -13.751 -8.370 -2.603 1.00 12.80 H new ATOM 0 HG12 ILE A 24 -13.759 -6.028 -3.113 1.00 15.48 H new ATOM 0 HG13 ILE A 24 -15.077 -6.770 -3.492 1.00 15.48 H new ATOM 0 HG21 ILE A 24 -15.973 -8.536 -1.768 1.00 13.36 H new ATOM 0 HG22 ILE A 24 -14.944 -9.157 -0.736 1.00 13.36 H new ATOM 0 HG23 ILE A 24 -15.542 -7.712 -0.486 1.00 13.36 H new ATOM 0 HD11 ILE A 24 -15.581 -4.729 -2.532 1.00 17.55 H new ATOM 0 HD12 ILE A 24 -16.130 -5.890 -1.605 1.00 17.55 H new ATOM 0 HD13 ILE A 24 -14.792 -5.136 -1.220 1.00 17.55 H new ATOM 378 N GLN A 25 -11.780 -9.566 -0.870 1.00 13.06 N ATOM 379 CA GLN A 25 -11.552 -10.906 -0.301 1.00 14.78 C ATOM 380 C GLN A 25 -10.101 -11.193 0.077 1.00 16.57 C ATOM 381 O GLN A 25 -9.800 -12.254 0.619 1.00 16.33 O ATOM 382 CB GLN A 25 -12.049 -11.961 -1.280 1.00 15.61 C ATOM 383 CG GLN A 25 -13.510 -11.779 -1.633 1.00 16.78 C ATOM 384 CD GLN A 25 -14.020 -12.757 -2.672 1.00 19.23 C ATOM 385 OE1 GLN A 25 -13.325 -13.678 -3.069 1.00 21.42 O ATOM 386 NE2 GLN A 25 -15.258 -12.555 -3.113 1.00 24.38 N ATOM 0 H GLN A 25 -11.433 -9.454 -1.649 1.00 13.06 H new ATOM 0 HA GLN A 25 -12.051 -10.936 0.530 1.00 14.78 H new ATOM 0 HB2 GLN A 25 -11.516 -11.924 -2.090 1.00 15.61 H new ATOM 0 HB3 GLN A 25 -11.919 -12.842 -0.895 1.00 15.61 H new ATOM 0 HG2 GLN A 25 -14.042 -11.871 -0.827 1.00 16.78 H new ATOM 0 HG3 GLN A 25 -13.644 -10.875 -1.959 1.00 16.78 H new ATOM 0 HE21 GLN A 25 -15.720 -11.895 -2.811 1.00 24.38 H new ATOM 0 HE22 GLN A 25 -15.597 -13.084 -3.700 1.00 24.38 H new ATOM 395 N ASN A 26 -9.207 -10.254 -0.224 1.00 15.10 N ATOM 396 CA ASN A 26 -7.812 -10.362 0.155 1.00 16.16 C ATOM 397 C ASN A 26 -7.120 -11.579 -0.427 1.00 17.24 C ATOM 398 O ASN A 26 -6.260 -12.191 0.209 1.00 22.11 O ATOM 399 CB ASN A 26 -7.694 -10.277 1.680 1.00 20.68 C ATOM 400 CG ASN A 26 -8.130 -8.916 2.206 1.00 20.12 C ATOM 401 OD1 ASN A 26 -9.319 -8.653 2.397 1.00 34.37 O ATOM 402 ND2 ASN A 26 -7.162 -8.032 2.415 1.00 32.30 N ATOM 0 H ASN A 26 -9.399 -9.535 -0.656 1.00 15.10 H new ATOM 0 HA ASN A 26 -7.335 -9.613 -0.235 1.00 16.16 H new ATOM 0 HB2 ASN A 26 -8.238 -10.970 2.086 1.00 20.68 H new ATOM 0 HB3 ASN A 26 -6.776 -10.447 1.943 1.00 20.68 H new ATOM 0 HD21 ASN A 26 -7.354 -7.242 2.694 1.00 32.30 H new ATOM 0 HD22 ASN A 26 -6.343 -8.250 2.271 1.00 32.30 H new ATOM 409 N HIS A 27 -7.478 -11.938 -1.654 1.00 14.54 N ATOM 410 CA HIS A 27 -6.700 -12.910 -2.397 1.00 15.55 C ATOM 411 C HIS A 27 -6.634 -12.569 -3.869 1.00 16.70 C ATOM 412 O HIS A 27 -7.467 -11.827 -4.379 1.00 12.56 O ATOM 413 CB HIS A 27 -7.215 -14.331 -2.179 1.00 20.72 C ATOM 414 CG HIS A 27 -8.595 -14.563 -2.689 1.00 21.37 C ATOM 415 ND1 HIS A 27 -8.856 -15.199 -3.884 1.00 28.75 N1+ ATOM 416 CD2 HIS A 27 -9.801 -14.251 -2.158 1.00 31.85 C ATOM 417 CE1 HIS A 27 -10.163 -15.259 -4.071 1.00 32.15 C ATOM 418 NE2 HIS A 27 -10.760 -14.690 -3.038 1.00 28.45 N ATOM 0 H HIS A 27 -8.165 -11.631 -2.070 1.00 14.54 H new ATOM 0 HA HIS A 27 -5.795 -12.872 -2.050 1.00 15.55 H new ATOM 0 HB2 HIS A 27 -6.611 -14.954 -2.613 1.00 20.72 H new ATOM 0 HB3 HIS A 27 -7.194 -14.530 -1.230 1.00 20.72 H new ATOM 0 HD2 HIS A 27 -9.952 -13.820 -1.348 1.00 31.85 H new ATOM 0 HE1 HIS A 27 -10.590 -15.638 -4.805 1.00 32.15 H new ATOM 0 HE2 HIS A 27 -11.610 -14.608 -2.934 1.00 28.45 H new ATOM 427 N PHE A 28 -5.611 -13.097 -4.531 1.00 14.86 N ATOM 428 CA PHE A 28 -5.361 -12.850 -5.940 1.00 13.42 C ATOM 429 C PHE A 28 -5.963 -13.956 -6.771 1.00 18.44 C ATOM 430 O PHE A 28 -5.623 -15.134 -6.592 1.00 19.07 O ATOM 431 CB PHE A 28 -3.862 -12.747 -6.206 1.00 14.15 C ATOM 432 CG PHE A 28 -3.508 -12.583 -7.649 1.00 11.37 C ATOM 433 CD1 PHE A 28 -4.028 -11.540 -8.409 1.00 11.61 C ATOM 434 CD2 PHE A 28 -2.624 -13.463 -8.262 1.00 11.91 C ATOM 435 CE1 PHE A 28 -3.661 -11.370 -9.736 1.00 12.60 C ATOM 436 CE2 PHE A 28 -2.267 -13.294 -9.599 1.00 16.43 C ATOM 437 CZ PHE A 28 -2.793 -12.266 -10.334 1.00 14.75 C ATOM 0 H PHE A 28 -5.033 -13.618 -4.165 1.00 14.86 H new ATOM 0 HA PHE A 28 -5.775 -12.008 -6.187 1.00 13.42 H new ATOM 0 HB2 PHE A 28 -3.506 -11.995 -5.708 1.00 14.15 H new ATOM 0 HB3 PHE A 28 -3.427 -13.544 -5.865 1.00 14.15 H new ATOM 0 HD1 PHE A 28 -4.631 -10.948 -8.021 1.00 11.61 H new ATOM 0 HD2 PHE A 28 -2.267 -14.171 -7.776 1.00 11.91 H new ATOM 0 HE1 PHE A 28 -3.999 -10.654 -10.224 1.00 12.60 H new ATOM 0 HE2 PHE A 28 -1.667 -13.884 -9.995 1.00 16.43 H new ATOM 0 HZ PHE A 28 -2.568 -12.170 -11.231 1.00 14.75 H new ATOM 447 N VAL A 29 -6.852 -13.592 -7.684 1.00 15.79 N ATOM 448 CA VAL A 29 -7.519 -14.572 -8.522 1.00 19.30 C ATOM 449 C VAL A 29 -6.988 -14.352 -9.912 1.00 23.47 C ATOM 450 O VAL A 29 -7.270 -13.307 -10.531 1.00 24.88 O ATOM 451 CB VAL A 29 -9.056 -14.407 -8.493 1.00 19.70 C ATOM 452 CG1 VAL A 29 -9.714 -15.349 -9.474 1.00 25.24 C ATOM 453 CG2 VAL A 29 -9.582 -14.662 -7.102 1.00 23.64 C ATOM 0 H VAL A 29 -7.083 -12.777 -7.834 1.00 15.79 H new ATOM 0 HA VAL A 29 -7.343 -15.471 -8.204 1.00 19.30 H new ATOM 0 HB VAL A 29 -9.269 -13.496 -8.750 1.00 19.70 H new ATOM 0 HG11 VAL A 29 -10.676 -15.231 -9.441 1.00 25.24 H new ATOM 0 HG12 VAL A 29 -9.396 -15.158 -10.370 1.00 25.24 H new ATOM 0 HG13 VAL A 29 -9.493 -16.265 -9.242 1.00 25.24 H new ATOM 0 HG21 VAL A 29 -10.546 -14.556 -7.096 1.00 23.64 H new ATOM 0 HG22 VAL A 29 -9.355 -15.565 -6.830 1.00 23.64 H new ATOM 0 HG23 VAL A 29 -9.184 -14.029 -6.484 1.00 23.64 H new ATOM 463 N ASP A 30 -6.209 -15.316 -10.401 1.00 22.40 N ATOM 464 CA ASP A 30 -5.484 -15.124 -11.645 1.00 30.45 C ATOM 465 C ASP A 30 -6.279 -15.554 -12.883 1.00 22.80 C ATOM 466 O ASP A 30 -5.824 -15.402 -14.020 1.00 26.95 O ATOM 467 CB ASP A 30 -4.093 -15.776 -11.618 1.00 32.61 C ATOM 468 CG ASP A 30 -4.139 -17.271 -11.361 1.00 31.80 C ATOM 469 OD1 ASP A 30 -5.194 -17.879 -11.612 1.00 33.71 O ATOM 470 OD2 ASP A 30 -3.114 -17.830 -10.892 1.00 30.37 O1- ATOM 0 H ASP A 30 -6.090 -16.082 -10.028 1.00 22.40 H new ATOM 0 HA ASP A 30 -5.355 -14.166 -11.721 1.00 30.45 H new ATOM 0 HB2 ASP A 30 -3.649 -15.613 -12.465 1.00 32.61 H new ATOM 0 HB3 ASP A 30 -3.557 -15.352 -10.930 1.00 32.61 H new ATOM 475 N GLU A 31 -7.460 -16.091 -12.729 1.00 23.14 N ATOM 476 CA GLU A 31 -8.346 -16.348 -13.847 1.00 22.34 C ATOM 477 C GLU A 31 -9.772 -16.138 -13.368 1.00 27.25 C ATOM 478 O GLU A 31 -10.239 -16.784 -12.463 1.00 30.87 O ATOM 479 CB GLU A 31 -8.148 -17.776 -14.516 1.00 33.77 C ATOM 480 CG GLU A 31 -8.794 -17.985 -15.903 1.00 39.14 C ATOM 481 CD GLU A 31 -8.135 -19.065 -16.882 1.00 50.09 C ATOM 482 OE1 GLU A 31 -8.862 -19.826 -17.628 1.00 53.95 O ATOM 483 OE2 GLU A 31 -6.896 -19.125 -16.964 1.00 44.29 O1- ATOM 0 H GLU A 31 -7.782 -16.323 -11.966 1.00 23.14 H new ATOM 0 HA GLU A 31 -8.129 -15.725 -14.558 1.00 22.34 H new ATOM 0 HB2 GLU A 31 -7.196 -17.944 -14.597 1.00 33.77 H new ATOM 0 HB3 GLU A 31 -8.504 -18.446 -13.912 1.00 33.77 H new ATOM 0 HG2 GLU A 31 -9.721 -18.235 -15.765 1.00 39.14 H new ATOM 0 HG3 GLU A 31 -8.797 -17.130 -16.362 1.00 39.14 H new ATOM 490 N TYR A 32 -10.392 -15.123 -13.918 1.00 19.66 N ATOM 491 CA TYR A 32 -11.770 -14.774 -13.674 1.00 15.06 C ATOM 492 C TYR A 32 -12.342 -14.348 -15.014 1.00 14.09 C ATOM 493 O TYR A 32 -11.796 -13.468 -15.676 1.00 13.39 O ATOM 494 CB TYR A 32 -11.835 -13.620 -12.673 1.00 14.86 C ATOM 495 CG TYR A 32 -13.210 -13.278 -12.210 1.00 15.57 C ATOM 496 CD1 TYR A 32 -13.830 -14.030 -11.220 1.00 23.51 C ATOM 497 CD2 TYR A 32 -13.894 -12.210 -12.755 1.00 13.50 C ATOM 498 CE1 TYR A 32 -15.092 -13.712 -10.782 1.00 27.38 C ATOM 499 CE2 TYR A 32 -15.142 -11.877 -12.323 1.00 20.80 C ATOM 500 CZ TYR A 32 -15.745 -12.630 -11.333 1.00 28.33 C ATOM 501 OH TYR A 32 -17.010 -12.299 -10.899 1.00 42.81 O ATOM 0 H TYR A 32 -10.004 -14.591 -14.471 1.00 19.66 H new ATOM 0 HA TYR A 32 -12.272 -15.516 -13.302 1.00 15.06 H new ATOM 0 HB2 TYR A 32 -11.293 -13.846 -11.901 1.00 14.86 H new ATOM 0 HB3 TYR A 32 -11.438 -12.833 -13.078 1.00 14.86 H new ATOM 0 HD1 TYR A 32 -13.385 -14.758 -10.849 1.00 23.51 H new ATOM 0 HD2 TYR A 32 -13.495 -11.709 -13.429 1.00 13.50 H new ATOM 0 HE1 TYR A 32 -15.502 -14.221 -10.121 1.00 27.38 H new ATOM 0 HE2 TYR A 32 -15.586 -11.148 -12.692 1.00 20.80 H new ATOM 0 HH TYR A 32 -16.964 -11.966 -10.129 1.00 42.81 H new ATOM 511 N ASP A 33 -13.428 -14.991 -15.414 1.00 14.64 N ATOM 512 CA ASP A 33 -14.007 -14.813 -16.741 1.00 13.04 C ATOM 513 C ASP A 33 -14.048 -13.335 -17.133 1.00 10.77 C ATOM 514 O ASP A 33 -14.635 -12.532 -16.420 1.00 11.66 O ATOM 515 CB ASP A 33 -15.416 -15.380 -16.752 1.00 14.36 C ATOM 516 CG ASP A 33 -16.003 -15.497 -18.146 1.00 16.20 C ATOM 517 OD1 ASP A 33 -15.797 -14.610 -18.998 1.00 11.37 O ATOM 518 OD2 ASP A 33 -16.728 -16.489 -18.375 1.00 20.49 O1- ATOM 0 H ASP A 33 -13.856 -15.549 -14.920 1.00 14.64 H new ATOM 0 HA ASP A 33 -13.452 -15.282 -17.384 1.00 13.04 H new ATOM 0 HB2 ASP A 33 -15.409 -16.256 -16.336 1.00 14.36 H new ATOM 0 HB3 ASP A 33 -15.990 -14.814 -16.212 1.00 14.36 H new ATOM 523 N PRO A 34 -13.407 -12.970 -18.254 1.00 10.82 N ATOM 524 CA PRO A 34 -13.383 -11.556 -18.618 1.00 11.75 C ATOM 525 C PRO A 34 -14.741 -10.952 -18.930 1.00 11.03 C ATOM 526 O PRO A 34 -14.855 -9.739 -18.986 1.00 11.25 O ATOM 527 CB PRO A 34 -12.498 -11.513 -19.870 1.00 13.97 C ATOM 528 CG PRO A 34 -12.400 -12.910 -20.342 1.00 21.03 C ATOM 529 CD PRO A 34 -12.587 -13.795 -19.157 1.00 12.63 C ATOM 0 HA PRO A 34 -13.060 -11.030 -17.870 1.00 11.75 H new ATOM 0 HB2 PRO A 34 -12.886 -10.942 -20.551 1.00 13.97 H new ATOM 0 HB3 PRO A 34 -11.621 -11.153 -19.664 1.00 13.97 H new ATOM 0 HG2 PRO A 34 -13.076 -13.092 -21.014 1.00 21.03 H new ATOM 0 HG3 PRO A 34 -11.538 -13.071 -20.756 1.00 21.03 H new ATOM 0 HD2 PRO A 34 -13.035 -14.622 -19.394 1.00 12.63 H new ATOM 0 HD3 PRO A 34 -11.739 -14.037 -18.752 1.00 12.63 H new ATOM 537 N THR A 35 -15.770 -11.774 -19.138 1.00 9.33 N ATOM 538 CA THR A 35 -17.052 -11.272 -19.550 1.00 10.24 C ATOM 539 C THR A 35 -18.052 -11.121 -18.404 1.00 12.06 C ATOM 540 O THR A 35 -19.195 -10.742 -18.636 1.00 12.09 O ATOM 541 CB THR A 35 -17.682 -12.156 -20.660 1.00 10.64 C ATOM 542 OG1 THR A 35 -18.072 -13.429 -20.129 1.00 10.75 O ATOM 543 CG2 THR A 35 -16.729 -12.355 -21.829 1.00 11.32 C ATOM 0 H THR A 35 -15.733 -12.628 -19.042 1.00 9.33 H new ATOM 0 HA THR A 35 -16.870 -10.385 -19.898 1.00 10.24 H new ATOM 0 HB THR A 35 -18.468 -11.691 -20.988 1.00 10.64 H new ATOM 0 HG1 THR A 35 -17.399 -13.817 -19.808 1.00 10.75 H new ATOM 0 HG21 THR A 35 -17.153 -12.910 -22.502 1.00 11.32 H new ATOM 0 HG22 THR A 35 -16.506 -11.494 -22.215 1.00 11.32 H new ATOM 0 HG23 THR A 35 -15.919 -12.788 -21.517 1.00 11.32 H new ATOM 551 N ILE A 36 -17.628 -11.408 -17.175 1.00 10.66 N ATOM 552 CA ILE A 36 -18.536 -11.276 -16.025 1.00 11.31 C ATOM 553 C ILE A 36 -18.453 -9.889 -15.397 1.00 9.34 C ATOM 554 O ILE A 36 -17.384 -9.434 -15.021 1.00 10.75 O ATOM 555 CB ILE A 36 -18.264 -12.339 -14.961 1.00 13.08 C ATOM 556 CG1 ILE A 36 -18.558 -13.741 -15.514 1.00 16.22 C ATOM 557 CG2 ILE A 36 -19.138 -12.098 -13.731 1.00 13.33 C ATOM 558 CD1 ILE A 36 -18.100 -14.872 -14.592 1.00 23.26 C ATOM 0 H ILE A 36 -16.834 -11.676 -16.982 1.00 10.66 H new ATOM 0 HA ILE A 36 -19.433 -11.407 -16.370 1.00 11.31 H new ATOM 0 HB ILE A 36 -17.329 -12.280 -14.711 1.00 13.08 H new ATOM 0 HG12 ILE A 36 -19.512 -13.826 -15.668 1.00 16.22 H new ATOM 0 HG13 ILE A 36 -18.122 -13.839 -16.375 1.00 16.22 H new ATOM 0 HG21 ILE A 36 -18.955 -12.779 -13.065 1.00 13.33 H new ATOM 0 HG22 ILE A 36 -18.942 -11.223 -13.361 1.00 13.33 H new ATOM 0 HG23 ILE A 36 -20.073 -12.138 -13.985 1.00 13.33 H new ATOM 0 HD11 ILE A 36 -18.314 -15.727 -14.997 1.00 23.26 H new ATOM 0 HD12 ILE A 36 -17.142 -14.810 -14.455 1.00 23.26 H new ATOM 0 HD13 ILE A 36 -18.554 -14.797 -13.738 1.00 23.26 H new ATOM 570 N GLU A 37 -19.610 -9.257 -15.285 1.00 10.18 N ATOM 571 CA GLU A 37 -19.776 -7.955 -14.628 1.00 10.38 C ATOM 572 C GLU A 37 -20.673 -8.153 -13.424 1.00 12.44 C ATOM 573 O GLU A 37 -21.829 -8.543 -13.567 1.00 15.54 O ATOM 574 CB GLU A 37 -20.416 -6.973 -15.592 1.00 11.48 C ATOM 575 CG GLU A 37 -20.782 -5.602 -15.014 1.00 10.99 C ATOM 576 CD GLU A 37 -21.099 -4.620 -16.117 1.00 12.23 C ATOM 577 OE1 GLU A 37 -20.187 -4.214 -16.881 1.00 11.50 O ATOM 578 OE2 GLU A 37 -22.278 -4.258 -16.276 1.00 13.54 O1- ATOM 0 H GLU A 37 -20.346 -9.577 -15.595 1.00 10.18 H new ATOM 0 HA GLU A 37 -18.916 -7.601 -14.353 1.00 10.38 H new ATOM 0 HB2 GLU A 37 -19.810 -6.838 -16.337 1.00 11.48 H new ATOM 0 HB3 GLU A 37 -21.221 -7.378 -15.951 1.00 11.48 H new ATOM 0 HG2 GLU A 37 -21.547 -5.689 -14.424 1.00 10.99 H new ATOM 0 HG3 GLU A 37 -20.047 -5.266 -14.478 1.00 10.99 H new ATOM 585 N ASP A 38 -20.131 -7.906 -12.269 1.00 11.64 N ATOM 586 CA ASP A 38 -20.827 -8.122 -11.000 1.00 14.64 C ATOM 587 C ASP A 38 -20.533 -6.943 -10.008 1.00 11.70 C ATOM 588 O ASP A 38 -19.570 -6.245 -10.123 1.00 10.41 O ATOM 589 CB ASP A 38 -20.347 -9.402 -10.334 1.00 18.61 C ATOM 590 CG ASP A 38 -20.945 -10.675 -10.871 1.00 31.81 C ATOM 591 OD1 ASP A 38 -21.997 -10.699 -11.460 1.00 37.71 O ATOM 592 OD2 ASP A 38 -20.326 -11.665 -10.596 1.00 32.68 O1- ATOM 0 H ASP A 38 -19.332 -7.601 -12.179 1.00 11.64 H new ATOM 0 HA ASP A 38 -21.775 -8.178 -11.197 1.00 14.64 H new ATOM 0 HB2 ASP A 38 -19.383 -9.453 -10.424 1.00 18.61 H new ATOM 0 HB3 ASP A 38 -20.541 -9.347 -9.385 1.00 18.61 H new ATOM 597 N CYS A 39 -21.241 -6.854 -8.951 1.00 12.34 N ATOM 598 CA CYS A 39 -21.112 -5.949 -7.840 1.00 11.13 C ATOM 599 C CYS A 39 -20.559 -6.674 -6.678 1.00 11.55 C ATOM 600 O CYS A 39 -20.867 -7.814 -6.482 1.00 12.82 O ATOM 601 CB CYS A 39 -22.484 -5.388 -7.480 1.00 13.63 C ATOM 602 SG CYS A 39 -23.233 -4.668 -8.913 1.00 14.03 S ATOM 0 H CYS A 39 -21.905 -7.388 -8.833 1.00 12.34 H new ATOM 0 HA CYS A 39 -20.518 -5.222 -8.082 1.00 11.13 H new ATOM 0 HB2 CYS A 39 -23.049 -6.094 -7.130 1.00 13.63 H new ATOM 0 HB3 CYS A 39 -22.397 -4.721 -6.781 1.00 13.63 H new ATOM 603 N TYR A 40 -19.943 -6.037 -5.860 1.00 9.80 N ATOM 604 CA TYR A 40 -19.307 -6.460 -4.633 1.00 9.17 C ATOM 605 C TYR A 40 -19.501 -5.441 -3.507 1.00 11.51 C ATOM 606 O TYR A 40 -19.620 -4.310 -3.748 1.00 10.91 O ATOM 607 CB TYR A 40 -17.813 -6.697 -4.842 1.00 12.34 C ATOM 608 CG TYR A 40 -17.446 -7.800 -5.748 1.00 15.73 C ATOM 609 CD1 TYR A 40 -17.429 -7.648 -7.112 1.00 13.65 C ATOM 610 CD2 TYR A 40 -17.028 -8.980 -5.247 1.00 15.46 C ATOM 611 CE1 TYR A 40 -17.079 -8.675 -7.932 1.00 16.21 C ATOM 612 CE2 TYR A 40 -16.657 -10.004 -6.059 1.00 24.37 C ATOM 613 CZ TYR A 40 -16.686 -9.846 -7.408 1.00 20.57 C ATOM 614 OH TYR A 40 -16.310 -10.892 -8.193 1.00 25.24 O ATOM 0 HA TYR A 40 -19.733 -7.292 -4.374 1.00 9.17 H new ATOM 0 HB2 TYR A 40 -17.420 -5.879 -5.184 1.00 12.34 H new ATOM 0 HB3 TYR A 40 -17.408 -6.866 -3.977 1.00 12.34 H new ATOM 0 HD1 TYR A 40 -17.661 -6.827 -7.482 1.00 13.65 H new ATOM 0 HD2 TYR A 40 -16.993 -9.095 -4.325 1.00 15.46 H new ATOM 0 HE1 TYR A 40 -17.112 -8.566 -8.855 1.00 16.21 H new ATOM 0 HE2 TYR A 40 -16.383 -10.813 -5.691 1.00 24.37 H new ATOM 0 HH TYR A 40 -15.953 -10.601 -8.896 1.00 25.24 H new ATOM 624 N ARG A 41 -19.472 -5.926 -2.262 1.00 10.20 N ATOM 625 CA ARG A 41 -19.682 -5.071 -1.103 1.00 10.87 C ATOM 626 C ARG A 41 -18.645 -5.360 -0.039 1.00 10.96 C ATOM 627 O ARG A 41 -18.267 -6.508 0.161 1.00 11.48 O ATOM 628 CB ARG A 41 -21.061 -5.320 -0.509 1.00 12.53 C ATOM 629 CG ARG A 41 -22.186 -5.022 -1.475 1.00 14.88 C ATOM 630 CD ARG A 41 -23.507 -5.539 -0.937 1.00 15.53 C ATOM 631 NE ARG A 41 -23.949 -4.803 0.245 1.00 16.17 N ATOM 632 CZ ARG A 41 -24.704 -3.704 0.210 1.00 16.09 C ATOM 633 NH1 ARG A 41 -25.089 -3.183 -0.956 1.00 21.03 N ATOM 634 NH2 ARG A 41 -25.059 -3.117 1.338 1.00 22.70 N1+ ATOM 0 H ARG A 41 -19.331 -6.753 -2.072 1.00 10.20 H new ATOM 0 HA ARG A 41 -19.607 -4.149 -1.394 1.00 10.87 H new ATOM 0 HB2 ARG A 41 -21.123 -6.245 -0.225 1.00 12.53 H new ATOM 0 HB3 ARG A 41 -21.169 -4.772 0.284 1.00 12.53 H new ATOM 0 HG2 ARG A 41 -22.245 -4.065 -1.625 1.00 14.88 H new ATOM 0 HG3 ARG A 41 -21.998 -5.433 -2.334 1.00 14.88 H new ATOM 0 HD2 ARG A 41 -24.184 -5.473 -1.629 1.00 15.53 H new ATOM 0 HD3 ARG A 41 -23.418 -6.479 -0.716 1.00 15.53 H new ATOM 0 HE ARG A 41 -23.706 -5.098 1.015 1.00 16.17 H new ATOM 0 HH11 ARG A 41 -24.850 -3.556 -1.693 1.00 21.03 H new ATOM 0 HH12 ARG A 41 -25.576 -2.474 -0.970 1.00 21.03 H new ATOM 0 HH21 ARG A 41 -24.803 -3.443 2.092 1.00 22.70 H new ATOM 0 HH22 ARG A 41 -25.546 -2.408 1.319 1.00 22.70 H new ATOM 648 N LYS A 42 -18.196 -4.323 0.660 1.00 8.98 N ATOM 649 CA LYS A 42 -17.337 -4.486 1.838 1.00 10.65 C ATOM 650 C LYS A 42 -17.555 -3.344 2.808 1.00 9.67 C ATOM 651 O LYS A 42 -17.557 -2.177 2.405 1.00 9.85 O ATOM 652 CB LYS A 42 -15.866 -4.533 1.437 1.00 10.90 C ATOM 653 CG LYS A 42 -14.929 -5.054 2.529 1.00 12.22 C ATOM 654 CD LYS A 42 -13.471 -4.958 2.123 1.00 13.40 C ATOM 655 CE LYS A 42 -12.538 -5.567 3.160 1.00 14.36 C ATOM 656 NZ LYS A 42 -11.107 -5.292 2.788 1.00 18.59 N1+ ATOM 0 H LYS A 42 -18.378 -3.505 0.468 1.00 8.98 H new ATOM 0 HA LYS A 42 -17.573 -5.324 2.265 1.00 10.65 H new ATOM 0 HB2 LYS A 42 -15.774 -5.095 0.652 1.00 10.90 H new ATOM 0 HB3 LYS A 42 -15.583 -3.641 1.182 1.00 10.90 H new ATOM 0 HG2 LYS A 42 -15.071 -4.547 3.344 1.00 12.22 H new ATOM 0 HG3 LYS A 42 -15.148 -5.978 2.728 1.00 12.22 H new ATOM 0 HD2 LYS A 42 -13.344 -5.409 1.273 1.00 13.40 H new ATOM 0 HD3 LYS A 42 -13.236 -4.027 1.988 1.00 13.40 H new ATOM 0 HE2 LYS A 42 -12.729 -5.196 4.036 1.00 14.36 H new ATOM 0 HE3 LYS A 42 -12.687 -6.524 3.218 1.00 14.36 H new ATOM 0 HZ1 LYS A 42 -10.566 -5.699 3.366 1.00 18.59 H new ATOM 0 HZ2 LYS A 42 -10.949 -5.599 1.968 1.00 18.59 H new ATOM 0 HZ3 LYS A 42 -10.958 -4.415 2.810 1.00 18.59 H new ATOM 670 N GLN A 43 -17.707 -3.677 4.083 1.00 10.22 N ATOM 671 CA GLN A 43 -17.792 -2.690 5.150 1.00 9.36 C ATOM 672 C GLN A 43 -16.391 -2.416 5.678 1.00 11.06 C ATOM 673 O GLN A 43 -15.685 -3.350 6.038 1.00 14.68 O ATOM 674 CB GLN A 43 -18.693 -3.243 6.253 1.00 13.57 C ATOM 675 CG GLN A 43 -18.950 -2.344 7.421 1.00 28.43 C ATOM 676 CD GLN A 43 -19.925 -2.990 8.404 1.00 23.97 C ATOM 677 OE1 GLN A 43 -21.020 -3.458 8.016 1.00 19.02 O ATOM 678 NE2 GLN A 43 -19.518 -3.051 9.672 1.00 33.01 N ATOM 0 H GLN A 43 -17.764 -4.491 4.356 1.00 10.22 H new ATOM 0 HA GLN A 43 -18.169 -1.857 4.825 1.00 9.36 H new ATOM 0 HB2 GLN A 43 -19.547 -3.478 5.858 1.00 13.57 H new ATOM 0 HB3 GLN A 43 -18.298 -4.065 6.584 1.00 13.57 H new ATOM 0 HG2 GLN A 43 -18.114 -2.147 7.872 1.00 28.43 H new ATOM 0 HG3 GLN A 43 -19.311 -1.499 7.110 1.00 28.43 H new ATOM 0 HE21 GLN A 43 -18.758 -2.717 9.896 1.00 33.01 H new ATOM 0 HE22 GLN A 43 -20.015 -3.425 10.266 1.00 33.01 H new ATOM 687 N VAL A 44 -15.959 -1.155 5.643 1.00 9.30 N ATOM 688 CA VAL A 44 -14.582 -0.772 5.955 1.00 9.88 C ATOM 689 C VAL A 44 -14.579 0.465 6.846 1.00 9.19 C ATOM 690 O VAL A 44 -15.616 1.085 7.060 1.00 8.96 O ATOM 691 CB VAL A 44 -13.761 -0.462 4.681 1.00 9.52 C ATOM 692 CG1 VAL A 44 -13.603 -1.730 3.818 1.00 13.08 C ATOM 693 CG2 VAL A 44 -14.410 0.669 3.862 1.00 11.09 C ATOM 0 H VAL A 44 -16.464 -0.490 5.435 1.00 9.30 H new ATOM 0 HA VAL A 44 -14.172 -1.525 6.409 1.00 9.88 H new ATOM 0 HB VAL A 44 -12.881 -0.163 4.959 1.00 9.52 H new ATOM 0 HG11 VAL A 44 -13.087 -1.519 3.024 1.00 13.08 H new ATOM 0 HG12 VAL A 44 -13.144 -2.415 4.329 1.00 13.08 H new ATOM 0 HG13 VAL A 44 -14.479 -2.055 3.557 1.00 13.08 H new ATOM 0 HG21 VAL A 44 -13.877 0.843 3.071 1.00 11.09 H new ATOM 0 HG22 VAL A 44 -15.305 0.404 3.597 1.00 11.09 H new ATOM 0 HG23 VAL A 44 -14.458 1.473 4.402 1.00 11.09 H new ATOM 703 N VAL A 45 -13.411 0.811 7.386 1.00 8.96 N ATOM 704 CA VAL A 45 -13.197 2.058 8.094 1.00 8.15 C ATOM 705 C VAL A 45 -12.156 2.850 7.331 1.00 10.39 C ATOM 706 O VAL A 45 -11.045 2.374 7.121 1.00 11.49 O ATOM 707 CB VAL A 45 -12.748 1.806 9.540 1.00 10.59 C ATOM 708 CG1 VAL A 45 -12.630 3.134 10.294 1.00 13.00 C ATOM 709 CG2 VAL A 45 -13.700 0.887 10.250 1.00 12.10 C ATOM 0 H VAL A 45 -12.711 0.313 7.347 1.00 8.96 H new ATOM 0 HA VAL A 45 -14.027 2.558 8.144 1.00 8.15 H new ATOM 0 HB VAL A 45 -11.878 1.377 9.516 1.00 10.59 H new ATOM 0 HG11 VAL A 45 -12.346 2.964 11.206 1.00 13.00 H new ATOM 0 HG12 VAL A 45 -11.978 3.700 9.853 1.00 13.00 H new ATOM 0 HG13 VAL A 45 -13.492 3.580 10.302 1.00 13.00 H new ATOM 0 HG21 VAL A 45 -13.395 0.744 11.159 1.00 12.10 H new ATOM 0 HG22 VAL A 45 -14.584 1.286 10.265 1.00 12.10 H new ATOM 0 HG23 VAL A 45 -13.737 0.037 9.785 1.00 12.10 H new ATOM 719 N ILE A 46 -12.531 4.044 6.887 1.00 7.94 N ATOM 720 CA ILE A 46 -11.649 4.912 6.122 1.00 8.35 C ATOM 721 C ILE A 46 -11.563 6.226 6.892 1.00 9.10 C ATOM 722 O ILE A 46 -12.561 6.937 7.050 1.00 9.05 O ATOM 723 CB ILE A 46 -12.175 5.156 4.691 1.00 8.71 C ATOM 724 CG1 ILE A 46 -12.301 3.828 3.955 1.00 8.56 C ATOM 725 CG2 ILE A 46 -11.255 6.103 3.952 1.00 8.97 C ATOM 726 CD1 ILE A 46 -12.915 3.907 2.562 1.00 10.07 C ATOM 0 H ILE A 46 -13.313 4.375 7.023 1.00 7.94 H new ATOM 0 HA ILE A 46 -10.778 4.498 6.020 1.00 8.35 H new ATOM 0 HB ILE A 46 -13.053 5.565 4.736 1.00 8.71 H new ATOM 0 HG12 ILE A 46 -11.419 3.432 3.881 1.00 8.56 H new ATOM 0 HG13 ILE A 46 -12.838 3.226 4.495 1.00 8.56 H new ATOM 0 HG21 ILE A 46 -11.594 6.250 3.055 1.00 8.97 H new ATOM 0 HG22 ILE A 46 -11.214 6.949 4.424 1.00 8.97 H new ATOM 0 HG23 ILE A 46 -10.366 5.718 3.902 1.00 8.97 H new ATOM 0 HD11 ILE A 46 -12.954 3.019 2.174 1.00 10.07 H new ATOM 0 HD12 ILE A 46 -13.812 4.272 2.624 1.00 10.07 H new ATOM 0 HD13 ILE A 46 -12.371 4.481 2.000 1.00 10.07 H new ATOM 738 N ASP A 47 -10.380 6.523 7.415 1.00 9.37 N ATOM 739 CA ASP A 47 -10.156 7.736 8.214 1.00 10.42 C ATOM 740 C ASP A 47 -11.165 7.875 9.348 1.00 10.41 C ATOM 741 O ASP A 47 -11.670 8.984 9.620 1.00 10.10 O ATOM 742 CB ASP A 47 -10.177 9.000 7.346 1.00 12.28 C ATOM 743 CG ASP A 47 -9.325 8.872 6.102 1.00 12.86 C ATOM 744 OD1 ASP A 47 -8.174 8.405 6.210 1.00 14.06 O ATOM 745 OD2 ASP A 47 -9.816 9.201 5.007 1.00 12.14 O1- ATOM 0 H ASP A 47 -9.681 6.031 7.320 1.00 9.37 H new ATOM 0 HA ASP A 47 -9.273 7.640 8.604 1.00 10.42 H new ATOM 0 HB2 ASP A 47 -11.092 9.195 7.088 1.00 12.28 H new ATOM 0 HB3 ASP A 47 -9.864 9.753 7.871 1.00 12.28 H new ATOM 750 N GLY A 48 -11.464 6.749 9.990 1.00 9.35 N ATOM 751 CA GLY A 48 -12.348 6.723 11.151 1.00 8.02 C ATOM 752 C GLY A 48 -13.820 6.535 10.870 1.00 9.27 C ATOM 753 O GLY A 48 -14.593 6.313 11.802 1.00 9.94 O ATOM 0 H GLY A 48 -11.159 5.977 9.764 1.00 9.35 H new ATOM 0 HA2 GLY A 48 -12.057 6.008 11.739 1.00 8.02 H new ATOM 0 HA3 GLY A 48 -12.235 7.554 11.638 1.00 8.02 H new ATOM 757 N GLU A 49 -14.219 6.647 9.603 1.00 8.25 N ATOM 758 CA GLU A 49 -15.608 6.502 9.198 1.00 8.03 C ATOM 759 C GLU A 49 -15.891 5.076 8.794 1.00 8.03 C ATOM 760 O GLU A 49 -15.261 4.566 7.862 1.00 8.68 O ATOM 761 CB GLU A 49 -15.910 7.405 8.009 1.00 8.40 C ATOM 762 CG GLU A 49 -17.351 7.340 7.549 1.00 8.74 C ATOM 763 CD GLU A 49 -17.602 8.149 6.306 1.00 9.16 C ATOM 764 OE1 GLU A 49 -17.065 7.804 5.225 1.00 9.77 O ATOM 765 OE2 GLU A 49 -18.327 9.161 6.374 1.00 9.28 O1- ATOM 0 H GLU A 49 -13.682 6.811 8.951 1.00 8.25 H new ATOM 0 HA GLU A 49 -16.166 6.749 9.952 1.00 8.03 H new ATOM 0 HB2 GLU A 49 -15.695 8.321 8.245 1.00 8.40 H new ATOM 0 HB3 GLU A 49 -15.331 7.159 7.270 1.00 8.40 H new ATOM 0 HG2 GLU A 49 -17.592 6.415 7.382 1.00 8.74 H new ATOM 0 HG3 GLU A 49 -17.928 7.660 8.260 1.00 8.74 H new ATOM 772 N THR A 50 -16.841 4.450 9.476 1.00 8.15 N ATOM 773 CA THR A 50 -17.345 3.159 9.075 1.00 7.11 C ATOM 774 C THR A 50 -18.320 3.355 7.928 1.00 7.84 C ATOM 775 O THR A 50 -19.304 4.077 8.062 1.00 9.04 O ATOM 776 CB THR A 50 -18.010 2.423 10.239 1.00 10.09 C ATOM 777 OG1 THR A 50 -17.029 2.157 11.267 1.00 11.29 O ATOM 778 CG2 THR A 50 -18.600 1.102 9.768 1.00 11.80 C ATOM 0 H THR A 50 -17.209 4.768 10.186 1.00 8.15 H new ATOM 0 HA THR A 50 -16.603 2.606 8.786 1.00 7.11 H new ATOM 0 HB THR A 50 -18.720 2.982 10.591 1.00 10.09 H new ATOM 0 HG1 THR A 50 -17.011 1.333 11.431 1.00 11.29 H new ATOM 0 HG21 THR A 50 -19.017 0.648 10.517 1.00 11.80 H new ATOM 0 HG22 THR A 50 -19.264 1.271 9.082 1.00 11.80 H new ATOM 0 HG23 THR A 50 -17.895 0.544 9.405 1.00 11.80 H new ATOM 786 N CYS A 51 -18.030 2.718 6.797 1.00 7.90 N ATOM 787 CA CYS A 51 -18.816 2.921 5.579 1.00 7.72 C ATOM 788 C CYS A 51 -18.823 1.646 4.753 1.00 7.39 C ATOM 789 O CYS A 51 -18.131 0.675 5.068 1.00 8.85 O ATOM 790 CB CYS A 51 -18.240 4.080 4.758 1.00 6.83 C ATOM 791 SG CYS A 51 -16.526 3.849 4.287 1.00 9.31 S ATOM 0 H CYS A 51 -17.380 2.162 6.712 1.00 7.90 H new ATOM 0 HA CYS A 51 -19.727 3.143 5.827 1.00 7.72 H new ATOM 0 HB2 CYS A 51 -18.774 4.195 3.957 1.00 6.83 H new ATOM 0 HB3 CYS A 51 -18.318 4.899 5.271 1.00 6.83 H new ATOM 0 HG CYS A 51 -16.155 4.795 3.649 1.00 9.31 H new ATOM 797 N LEU A 52 -19.657 1.649 3.729 1.00 7.80 N ATOM 798 CA LEU A 52 -19.785 0.529 2.834 1.00 8.07 C ATOM 799 C LEU A 52 -19.237 0.934 1.473 1.00 7.54 C ATOM 800 O LEU A 52 -19.592 2.003 0.960 1.00 9.70 O ATOM 801 CB LEU A 52 -21.245 0.144 2.690 1.00 13.26 C ATOM 802 CG LEU A 52 -21.480 -0.984 1.676 1.00 17.65 C ATOM 803 CD1 LEU A 52 -21.282 -2.283 2.404 1.00 17.10 C ATOM 804 CD2 LEU A 52 -22.827 -0.877 0.961 1.00 19.38 C ATOM 0 H LEU A 52 -20.169 2.312 3.535 1.00 7.80 H new ATOM 0 HA LEU A 52 -19.293 -0.229 3.186 1.00 8.07 H new ATOM 0 HB2 LEU A 52 -21.587 -0.131 3.555 1.00 13.26 H new ATOM 0 HB3 LEU A 52 -21.753 0.925 2.419 1.00 13.26 H new ATOM 0 HG LEU A 52 -20.841 -0.920 0.949 1.00 17.65 H new ATOM 0 HD11 LEU A 52 -21.423 -3.022 1.792 1.00 17.10 H new ATOM 0 HD12 LEU A 52 -20.379 -2.323 2.756 1.00 17.10 H new ATOM 0 HD13 LEU A 52 -21.916 -2.344 3.135 1.00 17.10 H new ATOM 0 HD21 LEU A 52 -22.921 -1.612 0.335 1.00 19.38 H new ATOM 0 HD22 LEU A 52 -23.544 -0.915 1.613 1.00 19.38 H new ATOM 0 HD23 LEU A 52 -22.872 -0.036 0.480 1.00 19.38 H new ATOM 816 N LEU A 53 -18.393 0.078 0.903 1.00 7.68 N ATOM 817 CA LEU A 53 -17.990 0.197 -0.494 1.00 8.40 C ATOM 818 C LEU A 53 -18.890 -0.714 -1.312 1.00 9.06 C ATOM 819 O LEU A 53 -18.938 -1.916 -1.081 1.00 8.84 O ATOM 820 CB LEU A 53 -16.523 -0.173 -0.679 1.00 8.54 C ATOM 821 CG LEU A 53 -15.555 0.503 0.280 1.00 8.60 C ATOM 822 CD1 LEU A 53 -14.114 0.162 -0.094 1.00 10.55 C ATOM 823 CD2 LEU A 53 -15.770 2.024 0.309 1.00 9.83 C ATOM 0 H LEU A 53 -18.038 -0.588 1.316 1.00 7.68 H new ATOM 0 HA LEU A 53 -18.083 1.116 -0.790 1.00 8.40 H new ATOM 0 HB2 LEU A 53 -16.433 -1.134 -0.582 1.00 8.54 H new ATOM 0 HB3 LEU A 53 -16.262 0.046 -1.587 1.00 8.54 H new ATOM 0 HG LEU A 53 -15.729 0.167 1.173 1.00 8.60 H new ATOM 0 HD11 LEU A 53 -13.507 0.598 0.524 1.00 10.55 H new ATOM 0 HD12 LEU A 53 -13.986 -0.798 -0.048 1.00 10.55 H new ATOM 0 HD13 LEU A 53 -13.932 0.469 -0.996 1.00 10.55 H new ATOM 0 HD21 LEU A 53 -15.141 2.428 0.927 1.00 9.83 H new ATOM 0 HD22 LEU A 53 -15.629 2.388 -0.579 1.00 9.83 H new ATOM 0 HD23 LEU A 53 -16.676 2.218 0.597 1.00 9.83 H new ATOM 835 N ASP A 54 -19.588 -0.120 -2.274 1.00 8.23 N ATOM 836 CA ASP A 54 -20.503 -0.808 -3.178 1.00 7.58 C ATOM 837 C ASP A 54 -19.883 -0.674 -4.560 1.00 7.24 C ATOM 838 O ASP A 54 -19.976 0.379 -5.185 1.00 7.94 O ATOM 839 CB ASP A 54 -21.875 -0.159 -3.093 1.00 9.92 C ATOM 840 CG ASP A 54 -22.860 -0.674 -4.126 1.00 10.37 C ATOM 841 OD1 ASP A 54 -22.557 -1.674 -4.823 1.00 9.81 O ATOM 842 OD2 ASP A 54 -23.956 -0.069 -4.190 1.00 13.17 O1- ATOM 0 H ASP A 54 -19.540 0.726 -2.424 1.00 8.23 H new ATOM 0 HA ASP A 54 -20.629 -1.744 -2.957 1.00 7.58 H new ATOM 0 HB2 ASP A 54 -22.240 -0.309 -2.207 1.00 9.92 H new ATOM 0 HB3 ASP A 54 -21.777 0.800 -3.201 1.00 9.92 H new ATOM 847 N ILE A 55 -19.231 -1.738 -5.012 1.00 7.69 N ATOM 848 CA ILE A 55 -18.328 -1.672 -6.174 1.00 6.89 C ATOM 849 C ILE A 55 -18.870 -2.448 -7.349 1.00 8.42 C ATOM 850 O ILE A 55 -19.201 -3.619 -7.238 1.00 8.80 O ATOM 851 CB ILE A 55 -16.941 -2.227 -5.794 1.00 8.10 C ATOM 852 CG1 ILE A 55 -16.362 -1.434 -4.621 1.00 9.46 C ATOM 853 CG2 ILE A 55 -16.000 -2.181 -7.002 1.00 8.81 C ATOM 854 CD1 ILE A 55 -15.148 -2.033 -3.978 1.00 11.94 C ATOM 0 H ILE A 55 -19.294 -2.520 -4.660 1.00 7.69 H new ATOM 0 HA ILE A 55 -18.255 -0.740 -6.434 1.00 6.89 H new ATOM 0 HB ILE A 55 -17.036 -3.153 -5.521 1.00 8.10 H new ATOM 0 HG12 ILE A 55 -16.138 -0.543 -4.932 1.00 9.46 H new ATOM 0 HG13 ILE A 55 -17.051 -1.334 -3.946 1.00 9.46 H new ATOM 0 HG21 ILE A 55 -15.132 -2.533 -6.750 1.00 8.81 H new ATOM 0 HG22 ILE A 55 -16.369 -2.718 -7.721 1.00 8.81 H new ATOM 0 HG23 ILE A 55 -15.902 -1.264 -7.302 1.00 8.81 H new ATOM 0 HD11 ILE A 55 -14.854 -1.465 -3.249 1.00 11.94 H new ATOM 0 HD12 ILE A 55 -15.365 -2.913 -3.634 1.00 11.94 H new ATOM 0 HD13 ILE A 55 -14.438 -2.109 -4.635 1.00 11.94 H new ATOM 866 N LEU A 56 -18.963 -1.778 -8.485 1.00 7.40 N ATOM 867 CA LEU A 56 -19.280 -2.420 -9.759 1.00 7.20 C ATOM 868 C LEU A 56 -17.987 -2.689 -10.524 1.00 8.21 C ATOM 869 O LEU A 56 -17.241 -1.763 -10.883 1.00 7.51 O ATOM 870 CB LEU A 56 -20.193 -1.550 -10.609 1.00 7.64 C ATOM 871 CG LEU A 56 -20.549 -2.103 -12.001 1.00 8.13 C ATOM 872 CD1 LEU A 56 -21.290 -3.456 -11.890 1.00 10.46 C ATOM 873 CD2 LEU A 56 -21.332 -1.093 -12.831 1.00 9.40 C ATOM 0 H LEU A 56 -18.843 -0.928 -8.544 1.00 7.40 H new ATOM 0 HA LEU A 56 -19.742 -3.252 -9.571 1.00 7.20 H new ATOM 0 HB2 LEU A 56 -21.017 -1.402 -10.119 1.00 7.64 H new ATOM 0 HB3 LEU A 56 -19.771 -0.684 -10.723 1.00 7.64 H new ATOM 0 HG LEU A 56 -19.717 -2.264 -12.472 1.00 8.13 H new ATOM 0 HD11 LEU A 56 -21.503 -3.783 -12.778 1.00 10.46 H new ATOM 0 HD12 LEU A 56 -20.723 -4.099 -11.437 1.00 10.46 H new ATOM 0 HD13 LEU A 56 -22.110 -3.336 -11.385 1.00 10.46 H new ATOM 0 HD21 LEU A 56 -21.537 -1.476 -13.698 1.00 9.40 H new ATOM 0 HD22 LEU A 56 -22.157 -0.868 -12.374 1.00 9.40 H new ATOM 0 HD23 LEU A 56 -20.800 -0.290 -12.950 1.00 9.40 H new ATOM 885 N ASP A 57 -17.731 -3.965 -10.760 1.00 6.75 N ATOM 886 CA ASP A 57 -16.610 -4.464 -11.559 1.00 7.28 C ATOM 887 C ASP A 57 -17.110 -4.627 -12.990 1.00 8.21 C ATOM 888 O ASP A 57 -17.802 -5.590 -13.308 1.00 8.83 O ATOM 889 CB ASP A 57 -16.150 -5.808 -10.972 1.00 7.83 C ATOM 890 CG ASP A 57 -15.082 -6.488 -11.795 1.00 8.32 C ATOM 891 OD1 ASP A 57 -14.339 -5.759 -12.475 1.00 8.19 O ATOM 892 OD2 ASP A 57 -14.996 -7.734 -11.726 1.00 9.75 O1- ATOM 0 H ASP A 57 -18.224 -4.596 -10.448 1.00 6.75 H new ATOM 0 HA ASP A 57 -15.855 -3.855 -11.548 1.00 7.28 H new ATOM 0 HB2 ASP A 57 -15.813 -5.663 -10.074 1.00 7.83 H new ATOM 0 HB3 ASP A 57 -16.915 -6.399 -10.896 1.00 7.83 H new ATOM 897 N THR A 58 -16.822 -3.644 -13.845 1.00 8.20 N ATOM 898 CA THR A 58 -17.377 -3.616 -15.205 1.00 7.13 C ATOM 899 C THR A 58 -16.660 -4.546 -16.162 1.00 9.25 C ATOM 900 O THR A 58 -15.518 -4.927 -15.928 1.00 9.34 O ATOM 901 CB THR A 58 -17.378 -2.195 -15.815 1.00 8.15 C ATOM 902 OG1 THR A 58 -16.041 -1.777 -16.121 1.00 7.92 O ATOM 903 CG2 THR A 58 -18.040 -1.201 -14.890 1.00 9.68 C ATOM 0 H THR A 58 -16.306 -2.982 -13.658 1.00 8.20 H new ATOM 0 HA THR A 58 -18.291 -3.923 -15.097 1.00 7.13 H new ATOM 0 HB THR A 58 -17.891 -2.227 -16.638 1.00 8.15 H new ATOM 0 HG1 THR A 58 -15.646 -1.559 -15.412 1.00 7.92 H new ATOM 0 HG21 THR A 58 -18.026 -0.321 -15.297 1.00 9.68 H new ATOM 0 HG22 THR A 58 -18.959 -1.469 -14.731 1.00 9.68 H new ATOM 0 HG23 THR A 58 -17.561 -1.174 -14.047 1.00 9.68 H new ATOM 911 N ALA A 59 -17.349 -4.911 -17.226 1.00 9.16 N ATOM 912 CA ALA A 59 -16.747 -5.808 -18.209 1.00 10.92 C ATOM 913 C ALA A 59 -16.950 -5.328 -19.641 1.00 9.49 C ATOM 914 O ALA A 59 -16.708 -6.097 -20.572 1.00 10.83 O ATOM 915 CB ALA A 59 -17.283 -7.223 -18.045 1.00 12.83 C ATOM 0 H ALA A 59 -18.152 -4.660 -17.402 1.00 9.16 H new ATOM 0 HA ALA A 59 -15.792 -5.807 -18.040 1.00 10.92 H new ATOM 0 HB1 ALA A 59 -16.873 -7.803 -18.705 1.00 12.83 H new ATOM 0 HB2 ALA A 59 -17.074 -7.547 -17.155 1.00 12.83 H new ATOM 0 HB3 ALA A 59 -18.245 -7.221 -18.170 1.00 12.83 H new ATOM 921 N GLY A 60 -17.333 -4.072 -19.837 1.00 7.65 N ATOM 922 CA GLY A 60 -17.338 -3.468 -21.157 1.00 9.20 C ATOM 923 C GLY A 60 -18.717 -3.275 -21.763 1.00 11.57 C ATOM 924 O GLY A 60 -19.618 -2.733 -21.137 1.00 11.70 O ATOM 0 H GLY A 60 -17.597 -3.548 -19.208 1.00 7.65 H new ATOM 0 HA2 GLY A 60 -16.897 -2.605 -21.106 1.00 9.20 H new ATOM 0 HA3 GLY A 60 -16.811 -4.021 -21.754 1.00 9.20 H new ATOM 928 N GLN A 61 -18.894 -3.677 -23.011 1.00 9.18 N ATOM 929 CA GLN A 61 -20.189 -3.478 -23.654 1.00 10.49 C ATOM 930 C GLN A 61 -21.305 -4.162 -22.883 1.00 10.71 C ATOM 931 O GLN A 61 -21.119 -5.197 -22.243 1.00 12.94 O ATOM 932 CB GLN A 61 -20.185 -4.010 -25.091 1.00 11.47 C ATOM 933 CG GLN A 61 -19.141 -3.411 -25.992 1.00 12.61 C ATOM 934 CD GLN A 61 -19.404 -1.996 -26.423 1.00 19.83 C ATOM 935 OE1 GLN A 61 -20.529 -1.523 -26.408 1.00 22.09 O ATOM 936 NE2 GLN A 61 -18.347 -1.309 -26.823 1.00 24.07 N ATOM 0 H GLN A 61 -18.295 -4.059 -23.497 1.00 9.18 H new ATOM 0 HA GLN A 61 -20.348 -2.521 -23.665 1.00 10.49 H new ATOM 0 HB2 GLN A 61 -20.056 -4.971 -25.065 1.00 11.47 H new ATOM 0 HB3 GLN A 61 -21.059 -3.852 -25.482 1.00 11.47 H new ATOM 0 HG2 GLN A 61 -18.285 -3.441 -25.536 1.00 12.61 H new ATOM 0 HG3 GLN A 61 -19.061 -3.966 -26.784 1.00 12.61 H new ATOM 0 HE21 GLN A 61 -17.569 -1.676 -26.820 1.00 24.07 H new ATOM 0 HE22 GLN A 61 -18.437 -0.495 -27.086 1.00 24.07 H new ATOM 945 N GLU A 62 -22.488 -3.575 -22.973 1.00 10.86 N ATOM 946 CA GLU A 62 -23.685 -4.123 -22.339 1.00 10.81 C ATOM 947 C GLU A 62 -24.658 -4.622 -23.404 1.00 9.10 C ATOM 948 O GLU A 62 -24.560 -4.246 -24.563 1.00 11.85 O ATOM 949 CB GLU A 62 -24.355 -3.015 -21.529 1.00 12.35 C ATOM 950 CG GLU A 62 -23.510 -2.411 -20.445 1.00 10.67 C ATOM 951 CD GLU A 62 -23.362 -3.278 -19.243 1.00 12.80 C ATOM 952 OE1 GLU A 62 -23.834 -4.385 -19.184 1.00 13.17 O ATOM 953 OE2 GLU A 62 -22.677 -2.753 -18.247 1.00 13.98 O1- ATOM 0 H GLU A 62 -22.624 -2.844 -23.405 1.00 10.86 H new ATOM 0 HA GLU A 62 -23.439 -4.864 -21.763 1.00 10.81 H new ATOM 0 HB2 GLU A 62 -24.627 -2.310 -22.137 1.00 12.35 H new ATOM 0 HB3 GLU A 62 -25.163 -3.371 -21.128 1.00 12.35 H new ATOM 0 HG2 GLU A 62 -22.630 -2.217 -20.803 1.00 10.67 H new ATOM 0 HG3 GLU A 62 -23.900 -1.564 -20.177 1.00 10.67 H new ATOM 961 N GLU A 63 -25.634 -5.419 -22.976 1.00 11.67 N ATOM 962 CA GLU A 63 -26.768 -5.799 -23.824 1.00 10.69 C ATOM 963 C GLU A 63 -27.335 -4.540 -24.490 1.00 10.85 C ATOM 964 O GLU A 63 -27.519 -4.499 -25.705 1.00 11.63 O ATOM 965 CB GLU A 63 -27.846 -6.481 -22.984 1.00 10.76 C ATOM 966 CG GLU A 63 -28.930 -7.104 -23.819 1.00 13.96 C ATOM 967 CD GLU A 63 -30.115 -7.550 -23.024 1.00 12.12 C ATOM 968 OE1 GLU A 63 -30.118 -7.451 -21.770 1.00 12.76 O ATOM 969 OE2 GLU A 63 -31.101 -7.994 -23.653 1.00 11.82 O1- ATOM 0 H GLU A 63 -25.660 -5.756 -22.185 1.00 11.67 H new ATOM 0 HA GLU A 63 -26.471 -6.422 -24.506 1.00 10.69 H new ATOM 0 HB2 GLU A 63 -27.435 -7.165 -22.432 1.00 10.76 H new ATOM 0 HB3 GLU A 63 -28.241 -5.831 -22.382 1.00 10.76 H new ATOM 0 HG2 GLU A 63 -29.221 -6.464 -24.488 1.00 13.96 H new ATOM 0 HG3 GLU A 63 -28.564 -7.866 -24.295 1.00 13.96 H new ATOM 976 N TYR A 64 -27.599 -3.518 -23.666 1.00 9.10 N ATOM 977 CA TYR A 64 -28.106 -2.228 -24.121 1.00 7.68 C ATOM 978 C TYR A 64 -27.226 -1.102 -23.583 1.00 9.64 C ATOM 979 O TYR A 64 -26.870 -1.104 -22.406 1.00 9.10 O ATOM 980 CB TYR A 64 -29.506 -1.987 -23.563 1.00 9.27 C ATOM 981 CG TYR A 64 -30.564 -2.991 -23.956 1.00 8.26 C ATOM 982 CD1 TYR A 64 -31.096 -3.009 -25.237 1.00 8.19 C ATOM 983 CD2 TYR A 64 -31.054 -3.887 -23.036 1.00 8.82 C ATOM 984 CE1 TYR A 64 -32.116 -3.895 -25.579 1.00 8.37 C ATOM 985 CE2 TYR A 64 -32.072 -4.786 -23.370 1.00 9.65 C ATOM 986 CZ TYR A 64 -32.591 -4.781 -24.642 1.00 8.02 C ATOM 987 OH TYR A 64 -33.621 -5.665 -24.928 1.00 9.24 O ATOM 0 H TYR A 64 -27.485 -3.561 -22.815 1.00 9.10 H new ATOM 0 HA TYR A 64 -28.112 -2.238 -25.091 1.00 7.68 H new ATOM 0 HB2 TYR A 64 -29.449 -1.968 -22.595 1.00 9.27 H new ATOM 0 HB3 TYR A 64 -29.800 -1.107 -23.847 1.00 9.27 H new ATOM 0 HD1 TYR A 64 -30.767 -2.421 -25.878 1.00 8.19 H new ATOM 0 HD2 TYR A 64 -30.702 -3.896 -22.175 1.00 8.82 H new ATOM 0 HE1 TYR A 64 -32.474 -3.887 -26.437 1.00 8.37 H new ATOM 0 HE2 TYR A 64 -32.396 -5.383 -22.735 1.00 9.65 H new ATOM 0 HH TYR A 64 -33.786 -6.132 -24.250 1.00 9.24 H new ATOM 997 N SER A 65 -26.881 -0.124 -24.410 1.00 10.33 N ATOM 998 CA SER A 65 -26.046 0.973 -23.942 1.00 11.46 C ATOM 999 C SER A 65 -26.702 1.719 -22.775 1.00 9.58 C ATOM 1000 O SER A 65 -26.004 2.289 -21.950 1.00 9.21 O ATOM 1001 CB SER A 65 -25.714 1.929 -25.087 1.00 14.46 C ATOM 1002 OG SER A 65 -26.849 2.626 -25.534 1.00 17.10 O ATOM 0 H SER A 65 -27.116 -0.076 -25.236 1.00 10.33 H new ATOM 0 HA SER A 65 -25.216 0.593 -23.615 1.00 11.46 H new ATOM 0 HB2 SER A 65 -25.041 2.563 -24.794 1.00 14.46 H new ATOM 0 HB3 SER A 65 -25.331 1.429 -25.825 1.00 14.46 H new ATOM 0 HG SER A 65 -26.982 3.292 -25.040 1.00 17.10 H new ATOM 1008 N ALA A 66 -28.026 1.729 -22.682 1.00 9.47 N ATOM 1009 CA ALA A 66 -28.717 2.313 -21.546 1.00 8.95 C ATOM 1010 C ALA A 66 -28.191 1.757 -20.218 1.00 8.90 C ATOM 1011 O ALA A 66 -28.189 2.460 -19.206 1.00 9.11 O ATOM 1012 CB ALA A 66 -30.216 2.061 -21.667 1.00 11.50 C ATOM 0 H ALA A 66 -28.548 1.396 -23.278 1.00 9.47 H new ATOM 0 HA ALA A 66 -28.549 3.268 -21.551 1.00 8.95 H new ATOM 0 HB1 ALA A 66 -30.673 2.453 -20.906 1.00 11.50 H new ATOM 0 HB2 ALA A 66 -30.547 2.464 -22.485 1.00 11.50 H new ATOM 0 HB3 ALA A 66 -30.383 1.106 -21.687 1.00 11.50 H new ATOM 1018 N MET A 67 -27.750 0.498 -20.196 1.00 8.45 N ATOM 1019 CA MET A 67 -27.245 -0.076 -18.965 1.00 7.38 C ATOM 1020 C MET A 67 -25.913 0.546 -18.558 1.00 7.01 C ATOM 1021 O MET A 67 -25.602 0.706 -17.363 1.00 8.07 O ATOM 1022 CB MET A 67 -27.076 -1.577 -19.128 1.00 8.87 C ATOM 1023 CG MET A 67 -28.403 -2.302 -19.255 1.00 7.35 C ATOM 1024 SD MET A 67 -28.227 -3.966 -19.942 1.00 11.28 S ATOM 1025 CE MET A 67 -27.390 -4.784 -18.594 1.00 14.75 C ATOM 0 H MET A 67 -27.737 -0.028 -20.876 1.00 8.45 H new ATOM 0 HA MET A 67 -27.890 0.111 -18.265 1.00 7.38 H new ATOM 0 HB2 MET A 67 -26.537 -1.755 -19.915 1.00 8.87 H new ATOM 0 HB3 MET A 67 -26.590 -1.929 -18.366 1.00 8.87 H new ATOM 0 HG2 MET A 67 -28.821 -2.359 -18.381 1.00 7.35 H new ATOM 0 HG3 MET A 67 -28.997 -1.784 -19.820 1.00 7.35 H new ATOM 0 HE1 MET A 67 -27.255 -5.718 -18.816 1.00 14.75 H new ATOM 0 HE2 MET A 67 -26.531 -4.360 -18.442 1.00 14.75 H new ATOM 0 HE3 MET A 67 -27.929 -4.718 -17.790 1.00 14.75 H new ATOM 1035 N ARG A 68 -25.084 0.843 -19.546 1.00 8.29 N ATOM 1036 CA ARG A 68 -23.831 1.564 -19.296 1.00 7.92 C ATOM 1037 C ARG A 68 -24.110 2.958 -18.761 1.00 8.43 C ATOM 1038 O ARG A 68 -23.537 3.374 -17.743 1.00 8.84 O ATOM 1039 CB ARG A 68 -23.024 1.670 -20.582 1.00 9.62 C ATOM 1040 CG ARG A 68 -21.764 2.555 -20.481 1.00 9.77 C ATOM 1041 CD ARG A 68 -21.321 3.042 -21.850 1.00 11.84 C ATOM 1042 NE ARG A 68 -22.330 3.933 -22.420 1.00 11.72 N ATOM 1043 CZ ARG A 68 -22.536 4.104 -23.726 1.00 12.86 C ATOM 1044 NH1 ARG A 68 -21.810 3.451 -24.633 1.00 13.53 N ATOM 1045 NH2 ARG A 68 -23.494 4.929 -24.106 1.00 10.87 N1+ ATOM 0 H ARG A 68 -25.222 0.639 -20.370 1.00 8.29 H new ATOM 0 HA ARG A 68 -23.324 1.069 -18.634 1.00 7.92 H new ATOM 0 HB2 ARG A 68 -22.757 0.779 -20.857 1.00 9.62 H new ATOM 0 HB3 ARG A 68 -23.597 2.023 -21.281 1.00 9.62 H new ATOM 0 HG2 ARG A 68 -21.946 3.316 -19.908 1.00 9.77 H new ATOM 0 HG3 ARG A 68 -21.046 2.053 -20.066 1.00 9.77 H new ATOM 0 HD2 ARG A 68 -20.473 3.508 -21.776 1.00 11.84 H new ATOM 0 HD3 ARG A 68 -21.178 2.285 -22.439 1.00 11.84 H new ATOM 0 HE ARG A 68 -22.825 4.378 -21.875 1.00 11.72 H new ATOM 0 HH11 ARG A 68 -21.194 2.907 -24.380 1.00 13.53 H new ATOM 0 HH12 ARG A 68 -21.957 3.574 -25.471 1.00 13.53 H new ATOM 0 HH21 ARG A 68 -23.966 5.340 -23.517 1.00 10.87 H new ATOM 0 HH22 ARG A 68 -23.646 5.056 -24.943 1.00 10.87 H new ATOM 1059 N ASP A 69 -24.998 3.691 -19.412 1.00 8.75 N ATOM 1060 CA ASP A 69 -25.306 5.060 -18.985 1.00 7.66 C ATOM 1061 C ASP A 69 -25.864 5.033 -17.566 1.00 9.15 C ATOM 1062 O ASP A 69 -25.537 5.880 -16.729 1.00 9.53 O ATOM 1063 CB ASP A 69 -26.296 5.736 -19.942 1.00 9.89 C ATOM 1064 CG ASP A 69 -25.739 5.915 -21.336 1.00 10.44 C ATOM 1065 OD1 ASP A 69 -24.535 5.655 -21.570 1.00 10.96 O ATOM 1066 OD2 ASP A 69 -26.542 6.376 -22.178 1.00 13.29 O1- ATOM 0 H ASP A 69 -25.436 3.422 -20.102 1.00 8.75 H new ATOM 0 HA ASP A 69 -24.488 5.581 -19.001 1.00 7.66 H new ATOM 0 HB2 ASP A 69 -27.107 5.206 -19.988 1.00 9.89 H new ATOM 0 HB3 ASP A 69 -26.544 6.603 -19.584 1.00 9.89 H new ATOM 1071 N GLN A 70 -26.666 4.019 -17.264 1.00 7.91 N ATOM 1072 CA GLN A 70 -27.271 3.872 -15.949 1.00 7.83 C ATOM 1073 C GLN A 70 -26.220 3.730 -14.839 1.00 8.49 C ATOM 1074 O GLN A 70 -26.307 4.384 -13.795 1.00 8.75 O ATOM 1075 CB GLN A 70 -28.241 2.677 -15.939 1.00 9.85 C ATOM 1076 CG GLN A 70 -28.912 2.384 -14.594 1.00 8.57 C ATOM 1077 CD GLN A 70 -30.046 3.333 -14.288 1.00 10.44 C ATOM 1078 OE1 GLN A 70 -30.519 4.067 -15.160 1.00 9.72 O ATOM 1079 NE2 GLN A 70 -30.503 3.306 -13.047 1.00 11.46 N ATOM 0 H GLN A 70 -26.875 3.395 -17.818 1.00 7.91 H new ATOM 0 HA GLN A 70 -27.768 4.684 -15.765 1.00 7.83 H new ATOM 0 HB2 GLN A 70 -28.933 2.836 -16.600 1.00 9.85 H new ATOM 0 HB3 GLN A 70 -27.757 1.885 -16.221 1.00 9.85 H new ATOM 0 HG2 GLN A 70 -29.249 1.474 -14.596 1.00 8.57 H new ATOM 0 HG3 GLN A 70 -28.250 2.440 -13.888 1.00 8.57 H new ATOM 0 HE21 GLN A 70 -30.145 2.780 -12.468 1.00 11.46 H new ATOM 0 HE22 GLN A 70 -31.158 3.815 -12.819 1.00 11.46 H new ATOM 1088 N TYR A 71 -25.238 2.859 -15.036 1.00 8.17 N ATOM 1089 CA TYR A 71 -24.235 2.681 -13.984 1.00 7.06 C ATOM 1090 C TYR A 71 -23.306 3.877 -13.880 1.00 8.39 C ATOM 1091 O TYR A 71 -22.793 4.161 -12.813 1.00 8.13 O ATOM 1092 CB TYR A 71 -23.469 1.363 -14.087 1.00 8.02 C ATOM 1093 CG TYR A 71 -22.383 1.189 -15.142 1.00 7.02 C ATOM 1094 CD1 TYR A 71 -21.217 1.934 -15.119 1.00 8.74 C ATOM 1095 CD2 TYR A 71 -22.492 0.178 -16.077 1.00 7.03 C ATOM 1096 CE1 TYR A 71 -20.215 1.716 -16.044 1.00 7.27 C ATOM 1097 CE2 TYR A 71 -21.501 -0.060 -16.992 1.00 7.91 C ATOM 1098 CZ TYR A 71 -20.369 0.707 -16.979 1.00 7.60 C ATOM 1099 OH TYR A 71 -19.359 0.449 -17.889 1.00 9.23 O ATOM 0 H TYR A 71 -25.132 2.377 -15.740 1.00 8.17 H new ATOM 0 HA TYR A 71 -24.732 2.627 -13.153 1.00 7.06 H new ATOM 0 HB2 TYR A 71 -23.060 1.200 -13.223 1.00 8.02 H new ATOM 0 HB3 TYR A 71 -24.123 0.660 -14.228 1.00 8.02 H new ATOM 0 HD1 TYR A 71 -21.106 2.592 -14.471 1.00 8.74 H new ATOM 0 HD2 TYR A 71 -23.255 -0.353 -16.085 1.00 7.03 H new ATOM 0 HE1 TYR A 71 -19.447 2.240 -16.039 1.00 7.27 H new ATOM 0 HE2 TYR A 71 -21.598 -0.740 -17.619 1.00 7.91 H new ATOM 0 HH TYR A 71 -19.342 -0.372 -18.064 1.00 9.23 H new ATOM 1109 N MET A 72 -23.103 4.597 -14.968 1.00 7.02 N ATOM 1110 CA MET A 72 -22.307 5.820 -14.914 1.00 6.87 C ATOM 1111 C MET A 72 -23.026 6.924 -14.146 1.00 8.66 C ATOM 1112 O MET A 72 -22.408 7.625 -13.356 1.00 9.40 O ATOM 1113 CB MET A 72 -21.865 6.268 -16.311 1.00 9.39 C ATOM 1114 CG MET A 72 -20.842 5.312 -16.911 1.00 9.87 C ATOM 1115 SD MET A 72 -20.268 5.792 -18.557 1.00 9.20 S ATOM 1116 CE MET A 72 -18.990 4.572 -18.781 1.00 8.87 C ATOM 0 H MET A 72 -23.413 4.401 -15.746 1.00 7.02 H new ATOM 0 HA MET A 72 -21.497 5.621 -14.419 1.00 6.87 H new ATOM 0 HB2 MET A 72 -22.639 6.322 -16.894 1.00 9.39 H new ATOM 0 HB3 MET A 72 -21.485 7.159 -16.260 1.00 9.39 H new ATOM 0 HG2 MET A 72 -20.078 5.254 -16.316 1.00 9.87 H new ATOM 0 HG3 MET A 72 -21.231 4.425 -16.960 1.00 9.87 H new ATOM 0 HE1 MET A 72 -18.159 5.013 -19.016 1.00 8.87 H new ATOM 0 HE2 MET A 72 -18.870 4.074 -17.957 1.00 8.87 H new ATOM 0 HE3 MET A 72 -19.245 3.963 -19.492 1.00 8.87 H new ATOM 1126 N ARG A 73 -24.329 7.072 -14.341 1.00 8.06 N ATOM 1127 CA ARG A 73 -25.065 8.048 -13.560 1.00 8.71 C ATOM 1128 C ARG A 73 -25.176 7.653 -12.090 1.00 8.63 C ATOM 1129 O ARG A 73 -25.090 8.506 -11.204 1.00 11.64 O ATOM 1130 CB ARG A 73 -26.473 8.247 -14.122 1.00 8.13 C ATOM 1131 CG ARG A 73 -26.476 8.870 -15.479 1.00 10.79 C ATOM 1132 CD ARG A 73 -27.861 9.449 -15.878 1.00 12.47 C ATOM 1133 NE ARG A 73 -27.777 9.991 -17.232 1.00 14.70 N ATOM 1134 CZ ARG A 73 -28.082 9.327 -18.344 1.00 20.10 C ATOM 1135 NH1 ARG A 73 -28.570 8.098 -18.291 1.00 21.76 N ATOM 1136 NH2 ARG A 73 -27.930 9.928 -19.517 1.00 23.62 N1+ ATOM 0 H ARG A 73 -24.796 6.626 -14.909 1.00 8.06 H new ATOM 0 HA ARG A 73 -24.563 8.876 -13.619 1.00 8.71 H new ATOM 0 HB2 ARG A 73 -26.923 7.389 -14.164 1.00 8.13 H new ATOM 0 HB3 ARG A 73 -26.983 8.805 -13.514 1.00 8.13 H new ATOM 0 HG2 ARG A 73 -25.815 9.579 -15.505 1.00 10.79 H new ATOM 0 HG3 ARG A 73 -26.207 8.207 -16.134 1.00 10.79 H new ATOM 0 HD2 ARG A 73 -28.539 8.756 -15.836 1.00 12.47 H new ATOM 0 HD3 ARG A 73 -28.126 10.143 -15.255 1.00 12.47 H new ATOM 0 HE ARG A 73 -27.509 10.804 -17.317 1.00 14.70 H new ATOM 0 HH11 ARG A 73 -28.694 7.717 -17.530 1.00 21.76 H new ATOM 0 HH12 ARG A 73 -28.763 7.680 -19.018 1.00 21.76 H new ATOM 0 HH21 ARG A 73 -27.638 10.736 -19.551 1.00 23.62 H new ATOM 0 HH22 ARG A 73 -28.124 9.509 -20.243 1.00 23.62 H new ATOM 1150 N THR A 74 -25.339 6.362 -11.820 1.00 8.40 N ATOM 1151 CA THR A 74 -25.438 5.875 -10.449 1.00 9.15 C ATOM 1152 C THR A 74 -24.098 5.963 -9.713 1.00 9.86 C ATOM 1153 O THR A 74 -24.042 6.287 -8.524 1.00 10.75 O ATOM 1154 CB THR A 74 -25.917 4.403 -10.454 1.00 11.17 C ATOM 1155 OG1 THR A 74 -27.249 4.357 -10.974 1.00 14.29 O ATOM 1156 CG2 THR A 74 -25.923 3.809 -9.050 1.00 15.63 C ATOM 0 H THR A 74 -25.395 5.749 -12.420 1.00 8.40 H new ATOM 0 HA THR A 74 -26.076 6.438 -9.983 1.00 9.15 H new ATOM 0 HB THR A 74 -25.306 3.886 -11.002 1.00 11.17 H new ATOM 0 HG1 THR A 74 -27.222 4.344 -11.813 1.00 14.29 H new ATOM 0 HG21 THR A 74 -26.227 2.889 -9.089 1.00 15.63 H new ATOM 0 HG22 THR A 74 -25.026 3.837 -8.683 1.00 15.63 H new ATOM 0 HG23 THR A 74 -26.520 4.323 -8.484 1.00 15.63 H new ATOM 1164 N GLY A 75 -23.015 5.680 -10.413 1.00 7.06 N ATOM 1165 CA GLY A 75 -21.718 5.649 -9.763 1.00 7.97 C ATOM 1166 C GLY A 75 -21.255 7.031 -9.322 1.00 7.76 C ATOM 1167 O GLY A 75 -21.429 8.030 -10.034 1.00 7.96 O ATOM 0 H GLY A 75 -23.007 5.505 -11.255 1.00 7.06 H new ATOM 0 HA2 GLY A 75 -21.760 5.063 -8.991 1.00 7.97 H new ATOM 0 HA3 GLY A 75 -21.064 5.270 -10.371 1.00 7.97 H new ATOM 1171 N GLU A 76 -20.643 7.085 -8.146 1.00 7.35 N ATOM 1172 CA GLU A 76 -20.162 8.338 -7.585 1.00 7.03 C ATOM 1173 C GLU A 76 -18.694 8.592 -7.911 1.00 6.44 C ATOM 1174 O GLU A 76 -18.255 9.739 -7.964 1.00 8.48 O ATOM 1175 CB GLU A 76 -20.341 8.341 -6.068 1.00 7.06 C ATOM 1176 CG GLU A 76 -21.787 8.285 -5.594 1.00 8.65 C ATOM 1177 CD GLU A 76 -21.875 8.102 -4.099 1.00 10.96 C ATOM 1178 OE1 GLU A 76 -21.864 6.932 -3.658 1.00 10.61 O ATOM 1179 OE2 GLU A 76 -21.915 9.121 -3.365 1.00 13.58 O1- ATOM 0 H GLU A 76 -20.495 6.397 -7.652 1.00 7.35 H new ATOM 0 HA GLU A 76 -20.688 9.046 -7.988 1.00 7.03 H new ATOM 0 HB2 GLU A 76 -19.863 7.583 -5.697 1.00 7.06 H new ATOM 0 HB3 GLU A 76 -19.927 9.141 -5.708 1.00 7.06 H new ATOM 0 HG2 GLU A 76 -22.243 9.102 -5.848 1.00 8.65 H new ATOM 0 HG3 GLU A 76 -22.246 7.554 -6.038 1.00 8.65 H new ATOM 1186 N GLY A 77 -17.929 7.528 -8.077 1.00 6.06 N ATOM 1187 CA GLY A 77 -16.518 7.663 -8.379 1.00 6.93 C ATOM 1188 C GLY A 77 -16.077 6.501 -9.236 1.00 6.79 C ATOM 1189 O GLY A 77 -16.642 5.393 -9.150 1.00 7.04 O ATOM 0 H GLY A 77 -18.208 6.717 -8.019 1.00 6.06 H new ATOM 0 HA2 GLY A 77 -16.354 8.500 -8.842 1.00 6.93 H new ATOM 0 HA3 GLY A 77 -16.002 7.687 -7.558 1.00 6.93 H new ATOM 1193 N PHE A 78 -15.043 6.746 -10.039 1.00 5.77 N ATOM 1194 CA PHE A 78 -14.569 5.799 -11.049 1.00 5.87 C ATOM 1195 C PHE A 78 -13.085 5.552 -10.929 1.00 5.99 C ATOM 1196 O PHE A 78 -12.296 6.494 -10.979 1.00 7.30 O ATOM 1197 CB PHE A 78 -14.921 6.315 -12.459 1.00 6.77 C ATOM 1198 CG PHE A 78 -16.392 6.518 -12.620 1.00 6.77 C ATOM 1199 CD1 PHE A 78 -17.012 7.607 -12.038 1.00 7.45 C ATOM 1200 CD2 PHE A 78 -17.172 5.576 -13.265 1.00 7.46 C ATOM 1201 CE1 PHE A 78 -18.381 7.756 -12.089 1.00 6.29 C ATOM 1202 CE2 PHE A 78 -18.550 5.720 -13.325 1.00 7.85 C ATOM 1203 CZ PHE A 78 -19.154 6.819 -12.734 1.00 6.97 C ATOM 0 H PHE A 78 -14.591 7.477 -10.012 1.00 5.77 H new ATOM 0 HA PHE A 78 -15.016 4.951 -10.899 1.00 5.87 H new ATOM 0 HB2 PHE A 78 -14.459 7.152 -12.623 1.00 6.77 H new ATOM 0 HB3 PHE A 78 -14.606 5.682 -13.124 1.00 6.77 H new ATOM 0 HD1 PHE A 78 -16.497 8.249 -11.605 1.00 7.45 H new ATOM 0 HD2 PHE A 78 -16.768 4.838 -13.663 1.00 7.46 H new ATOM 0 HE1 PHE A 78 -18.783 8.492 -11.686 1.00 6.29 H new ATOM 0 HE2 PHE A 78 -19.067 5.081 -13.760 1.00 7.85 H new ATOM 0 HZ PHE A 78 -20.077 6.922 -12.773 1.00 6.97 H new ATOM 1213 N LEU A 79 -12.715 4.286 -10.795 1.00 6.58 N ATOM 1214 CA LEU A 79 -11.328 3.841 -10.903 1.00 7.13 C ATOM 1215 C LEU A 79 -11.065 3.572 -12.362 1.00 6.44 C ATOM 1216 O LEU A 79 -11.690 2.700 -12.964 1.00 7.64 O ATOM 1217 CB LEU A 79 -11.109 2.550 -10.127 1.00 10.32 C ATOM 1218 CG LEU A 79 -10.777 2.534 -8.647 1.00 16.21 C ATOM 1219 CD1 LEU A 79 -10.087 1.183 -8.396 1.00 13.22 C ATOM 1220 CD2 LEU A 79 -9.916 3.710 -8.162 1.00 10.78 C ATOM 0 H LEU A 79 -13.270 3.649 -10.636 1.00 6.58 H new ATOM 0 HA LEU A 79 -10.735 4.519 -10.542 1.00 7.13 H new ATOM 0 HB2 LEU A 79 -11.914 2.021 -10.236 1.00 10.32 H new ATOM 0 HB3 LEU A 79 -10.394 2.074 -10.577 1.00 10.32 H new ATOM 0 HG LEU A 79 -11.593 2.640 -8.134 1.00 16.21 H new ATOM 0 HD11 LEU A 79 -9.848 1.111 -7.459 1.00 13.22 H new ATOM 0 HD12 LEU A 79 -10.692 0.462 -8.631 1.00 13.22 H new ATOM 0 HD13 LEU A 79 -9.286 1.123 -8.939 1.00 13.22 H new ATOM 0 HD21 LEU A 79 -9.753 3.621 -7.210 1.00 10.78 H new ATOM 0 HD22 LEU A 79 -9.070 3.709 -8.636 1.00 10.78 H new ATOM 0 HD23 LEU A 79 -10.381 4.544 -8.333 1.00 10.78 H new ATOM 1232 N CYS A 80 -10.190 4.369 -12.958 1.00 6.61 N ATOM 1233 CA CYS A 80 -9.870 4.234 -14.379 1.00 6.57 C ATOM 1234 C CYS A 80 -8.562 3.464 -14.474 1.00 6.72 C ATOM 1235 O CYS A 80 -7.495 4.003 -14.175 1.00 6.62 O ATOM 1236 CB CYS A 80 -9.698 5.607 -14.999 1.00 7.23 C ATOM 1237 SG CYS A 80 -11.235 6.604 -15.001 1.00 10.11 S ATOM 0 H CYS A 80 -9.765 5.000 -12.557 1.00 6.61 H new ATOM 0 HA CYS A 80 -10.581 3.771 -14.850 1.00 6.57 H new ATOM 0 HB2 CYS A 80 -9.009 6.089 -14.515 1.00 7.23 H new ATOM 0 HB3 CYS A 80 -9.385 5.505 -15.912 1.00 7.23 H new ATOM 0 HG CYS A 80 -11.019 7.672 -15.503 1.00 10.11 H new ATOM 1243 N VAL A 81 -8.661 2.187 -14.816 1.00 6.42 N ATOM 1244 CA VAL A 81 -7.550 1.272 -14.718 1.00 7.10 C ATOM 1245 C VAL A 81 -6.934 0.995 -16.075 1.00 6.30 C ATOM 1246 O VAL A 81 -7.637 0.657 -17.018 1.00 7.23 O ATOM 1247 CB VAL A 81 -7.984 -0.073 -14.080 1.00 6.40 C ATOM 1248 CG1 VAL A 81 -6.786 -0.972 -13.852 1.00 7.12 C ATOM 1249 CG2 VAL A 81 -8.755 0.159 -12.777 1.00 7.52 C ATOM 0 H VAL A 81 -9.384 1.829 -15.114 1.00 6.42 H new ATOM 0 HA VAL A 81 -6.889 1.699 -14.151 1.00 7.10 H new ATOM 0 HB VAL A 81 -8.581 -0.520 -14.700 1.00 6.40 H new ATOM 0 HG11 VAL A 81 -7.079 -1.806 -13.453 1.00 7.12 H new ATOM 0 HG12 VAL A 81 -6.352 -1.154 -14.700 1.00 7.12 H new ATOM 0 HG13 VAL A 81 -6.159 -0.532 -13.257 1.00 7.12 H new ATOM 0 HG21 VAL A 81 -9.015 -0.695 -12.398 1.00 7.52 H new ATOM 0 HG22 VAL A 81 -8.190 0.633 -12.147 1.00 7.52 H new ATOM 0 HG23 VAL A 81 -9.549 0.686 -12.960 1.00 7.52 H new ATOM 1259 N PHE A 82 -5.602 1.111 -16.137 1.00 5.66 N ATOM 1260 CA PHE A 82 -4.828 0.568 -17.251 1.00 6.63 C ATOM 1261 C PHE A 82 -3.786 -0.392 -16.696 1.00 8.28 C ATOM 1262 O PHE A 82 -3.573 -0.429 -15.484 1.00 7.70 O ATOM 1263 CB PHE A 82 -4.198 1.681 -18.089 1.00 5.98 C ATOM 1264 CG PHE A 82 -3.080 2.415 -17.394 1.00 5.99 C ATOM 1265 CD1 PHE A 82 -3.356 3.474 -16.515 1.00 6.93 C ATOM 1266 CD2 PHE A 82 -1.745 2.046 -17.594 1.00 7.33 C ATOM 1267 CE1 PHE A 82 -2.321 4.140 -15.861 1.00 7.86 C ATOM 1268 CE2 PHE A 82 -0.727 2.706 -16.949 1.00 6.70 C ATOM 1269 CZ PHE A 82 -1.015 3.759 -16.061 1.00 6.87 C ATOM 0 H PHE A 82 -5.128 1.505 -15.537 1.00 5.66 H new ATOM 0 HA PHE A 82 -5.416 0.082 -17.851 1.00 6.63 H new ATOM 0 HB2 PHE A 82 -3.858 1.299 -18.914 1.00 5.98 H new ATOM 0 HB3 PHE A 82 -4.887 2.318 -18.334 1.00 5.98 H new ATOM 0 HD1 PHE A 82 -4.237 3.733 -16.368 1.00 6.93 H new ATOM 0 HD2 PHE A 82 -1.544 1.345 -18.171 1.00 7.33 H new ATOM 0 HE1 PHE A 82 -2.515 4.845 -15.287 1.00 7.86 H new ATOM 0 HE2 PHE A 82 0.156 2.456 -17.100 1.00 6.70 H new ATOM 0 HZ PHE A 82 -0.327 4.194 -15.612 1.00 6.87 H new ATOM 1279 N ALA A 83 -3.139 -1.174 -17.563 1.00 7.34 N ATOM 1280 CA ALA A 83 -2.039 -2.030 -17.140 1.00 7.07 C ATOM 1281 C ALA A 83 -0.737 -1.436 -17.638 1.00 6.57 C ATOM 1282 O ALA A 83 -0.663 -0.983 -18.775 1.00 7.16 O ATOM 1283 CB ALA A 83 -2.243 -3.445 -17.661 1.00 7.95 C ATOM 0 H ALA A 83 -3.325 -1.221 -18.401 1.00 7.34 H new ATOM 0 HA ALA A 83 -2.009 -2.080 -16.172 1.00 7.07 H new ATOM 0 HB1 ALA A 83 -1.505 -4.005 -17.374 1.00 7.95 H new ATOM 0 HB2 ALA A 83 -3.075 -3.802 -17.312 1.00 7.95 H new ATOM 0 HB3 ALA A 83 -2.279 -3.431 -18.630 1.00 7.95 H new ATOM 1289 N ILE A 84 0.289 -1.442 -16.795 1.00 7.28 N ATOM 1290 CA ILE A 84 1.560 -0.777 -17.131 1.00 6.27 C ATOM 1291 C ILE A 84 2.293 -1.405 -18.326 1.00 8.06 C ATOM 1292 O ILE A 84 3.216 -0.792 -18.862 1.00 8.02 O ATOM 1293 CB ILE A 84 2.516 -0.695 -15.910 1.00 7.62 C ATOM 1294 CG1 ILE A 84 2.962 -2.091 -15.453 1.00 11.87 C ATOM 1295 CG2 ILE A 84 1.861 0.126 -14.800 1.00 8.59 C ATOM 1296 CD1 ILE A 84 4.259 -2.078 -14.631 1.00 15.60 C ATOM 0 H ILE A 84 0.277 -1.822 -16.024 1.00 7.28 H new ATOM 0 HA ILE A 84 1.304 0.121 -17.394 1.00 6.27 H new ATOM 0 HB ILE A 84 3.331 -0.236 -16.167 1.00 7.62 H new ATOM 0 HG12 ILE A 84 2.255 -2.492 -14.923 1.00 11.87 H new ATOM 0 HG13 ILE A 84 3.087 -2.655 -16.232 1.00 11.87 H new ATOM 0 HG21 ILE A 84 2.459 0.176 -14.038 1.00 8.59 H new ATOM 0 HG22 ILE A 84 1.676 1.021 -15.125 1.00 8.59 H new ATOM 0 HG23 ILE A 84 1.031 -0.297 -14.531 1.00 8.59 H new ATOM 0 HD11 ILE A 84 4.488 -2.985 -14.373 1.00 15.60 H new ATOM 0 HD12 ILE A 84 4.977 -1.703 -15.165 1.00 15.60 H new ATOM 0 HD13 ILE A 84 4.133 -1.538 -13.835 1.00 15.60 H new ATOM 1308 N ASN A 85 1.861 -2.591 -18.748 1.00 7.56 N ATOM 1309 CA ASN A 85 2.453 -3.269 -19.903 1.00 7.75 C ATOM 1310 C ASN A 85 1.542 -3.302 -21.104 1.00 9.92 C ATOM 1311 O ASN A 85 1.782 -4.048 -22.047 1.00 11.87 O ATOM 1312 CB ASN A 85 2.897 -4.685 -19.543 1.00 10.39 C ATOM 1313 CG ASN A 85 1.771 -5.547 -19.103 1.00 11.35 C ATOM 1314 OD1 ASN A 85 0.674 -5.061 -18.777 1.00 10.49 O ATOM 1315 ND2 ASN A 85 2.029 -6.841 -19.022 1.00 15.74 N ATOM 0 H ASN A 85 1.219 -3.025 -18.375 1.00 7.56 H new ATOM 0 HA ASN A 85 3.230 -2.743 -20.150 1.00 7.75 H new ATOM 0 HB2 ASN A 85 3.327 -5.090 -20.312 1.00 10.39 H new ATOM 0 HB3 ASN A 85 3.561 -4.642 -18.837 1.00 10.39 H new ATOM 0 HD21 ASN A 85 1.426 -7.383 -18.735 1.00 15.74 H new ATOM 0 HD22 ASN A 85 2.800 -7.141 -19.257 1.00 15.74 H new ATOM 1322 N ASN A 86 0.530 -2.434 -21.108 1.00 7.51 N ATOM 1323 CA ASN A 86 -0.441 -2.394 -22.192 1.00 7.97 C ATOM 1324 C ASN A 86 -0.716 -0.955 -22.575 1.00 8.12 C ATOM 1325 O ASN A 86 -1.562 -0.278 -22.007 1.00 7.88 O ATOM 1326 CB ASN A 86 -1.704 -3.138 -21.730 1.00 9.20 C ATOM 1327 CG ASN A 86 -2.831 -3.142 -22.738 1.00 11.97 C ATOM 1328 OD1 ASN A 86 -2.834 -2.442 -23.741 1.00 11.05 O ATOM 1329 ND2 ASN A 86 -3.864 -3.918 -22.409 1.00 15.01 N ATOM 0 H ASN A 86 0.391 -1.857 -20.486 1.00 7.51 H new ATOM 0 HA ASN A 86 -0.103 -2.835 -22.987 1.00 7.97 H new ATOM 0 HB2 ASN A 86 -1.468 -4.055 -21.522 1.00 9.20 H new ATOM 0 HB3 ASN A 86 -2.022 -2.733 -20.908 1.00 9.20 H new ATOM 0 HD21 ASN A 86 -4.563 -3.938 -22.909 1.00 15.01 H new ATOM 0 HD22 ASN A 86 -3.831 -4.399 -21.697 1.00 15.01 H new ATOM 1336 N THR A 87 0.007 -0.473 -23.571 1.00 7.93 N ATOM 1337 CA THR A 87 -0.125 0.905 -23.992 1.00 7.96 C ATOM 1338 C THR A 87 -1.529 1.228 -24.484 1.00 7.33 C ATOM 1339 O THR A 87 -2.055 2.295 -24.197 1.00 8.34 O ATOM 1340 CB THR A 87 0.889 1.182 -25.091 1.00 10.41 C ATOM 1341 OG1 THR A 87 2.211 1.080 -24.535 1.00 10.75 O ATOM 1342 CG2 THR A 87 0.699 2.557 -25.718 1.00 11.68 C ATOM 0 H THR A 87 0.582 -0.931 -24.017 1.00 7.93 H new ATOM 0 HA THR A 87 0.042 1.473 -23.224 1.00 7.96 H new ATOM 0 HB THR A 87 0.760 0.527 -25.795 1.00 10.41 H new ATOM 0 HG1 THR A 87 2.490 1.846 -24.333 1.00 10.75 H new ATOM 0 HG21 THR A 87 1.364 2.691 -26.411 1.00 11.68 H new ATOM 0 HG22 THR A 87 -0.188 2.616 -26.106 1.00 11.68 H new ATOM 0 HG23 THR A 87 0.800 3.240 -25.037 1.00 11.68 H new ATOM 1350 N LYS A 88 -2.138 0.335 -25.251 1.00 7.60 N ATOM 1351 CA LYS A 88 -3.502 0.569 -25.713 1.00 7.73 C ATOM 1352 C LYS A 88 -4.434 0.825 -24.524 1.00 7.50 C ATOM 1353 O LYS A 88 -5.292 1.711 -24.588 1.00 7.17 O ATOM 1354 CB LYS A 88 -3.983 -0.604 -26.578 1.00 9.89 C ATOM 1355 CG LYS A 88 -5.414 -0.521 -27.059 1.00 15.29 C ATOM 1356 CD LYS A 88 -5.646 0.644 -27.934 1.00 16.42 C ATOM 1357 CE LYS A 88 -6.927 0.454 -28.767 1.00 15.57 C ATOM 1358 NZ LYS A 88 -8.123 0.187 -27.922 1.00 17.59 N1+ ATOM 0 H LYS A 88 -1.786 -0.405 -25.514 1.00 7.60 H new ATOM 0 HA LYS A 88 -3.516 1.364 -26.268 1.00 7.73 H new ATOM 0 HB2 LYS A 88 -3.403 -0.673 -27.352 1.00 9.89 H new ATOM 0 HB3 LYS A 88 -3.877 -1.424 -26.070 1.00 9.89 H new ATOM 0 HG2 LYS A 88 -5.639 -1.333 -27.539 1.00 15.29 H new ATOM 0 HG3 LYS A 88 -6.008 -0.471 -26.293 1.00 15.29 H new ATOM 0 HD2 LYS A 88 -5.721 1.448 -27.396 1.00 16.42 H new ATOM 0 HD3 LYS A 88 -4.886 0.767 -28.524 1.00 16.42 H new ATOM 0 HE2 LYS A 88 -7.083 1.249 -29.301 1.00 15.57 H new ATOM 0 HE3 LYS A 88 -6.801 -0.283 -29.385 1.00 15.57 H new ATOM 0 HZ1 LYS A 88 -8.857 0.228 -28.424 1.00 17.59 H new ATOM 0 HZ2 LYS A 88 -8.056 -0.623 -27.560 1.00 17.59 H new ATOM 0 HZ3 LYS A 88 -8.172 0.797 -27.276 1.00 17.59 H new ATOM 1372 N SER A 89 -4.278 0.073 -23.435 1.00 6.90 N ATOM 1373 CA SER A 89 -5.170 0.262 -22.281 1.00 7.11 C ATOM 1374 C SER A 89 -4.984 1.650 -21.666 1.00 7.15 C ATOM 1375 O SER A 89 -5.931 2.253 -21.142 1.00 7.32 O ATOM 1376 CB SER A 89 -4.996 -0.833 -21.218 1.00 7.67 C ATOM 1377 OG SER A 89 -3.789 -0.705 -20.463 1.00 7.04 O ATOM 0 H SER A 89 -3.680 -0.538 -23.340 1.00 6.90 H new ATOM 0 HA SER A 89 -6.078 0.191 -22.615 1.00 7.11 H new ATOM 0 HB2 SER A 89 -5.753 -0.809 -20.612 1.00 7.67 H new ATOM 0 HB3 SER A 89 -5.008 -1.700 -21.652 1.00 7.67 H new ATOM 0 HG SER A 89 -3.144 -0.578 -20.985 1.00 7.04 H new ATOM 1383 N PHE A 90 -3.767 2.172 -21.738 1.00 6.61 N ATOM 1384 CA PHE A 90 -3.478 3.514 -21.287 1.00 6.31 C ATOM 1385 C PHE A 90 -4.142 4.540 -22.216 1.00 7.19 C ATOM 1386 O PHE A 90 -4.769 5.491 -21.751 1.00 8.05 O ATOM 1387 CB PHE A 90 -1.960 3.705 -21.193 1.00 7.45 C ATOM 1388 CG PHE A 90 -1.545 5.064 -20.713 1.00 7.98 C ATOM 1389 CD1 PHE A 90 -1.769 5.460 -19.401 1.00 8.42 C ATOM 1390 CD2 PHE A 90 -0.888 5.934 -21.555 1.00 10.26 C ATOM 1391 CE1 PHE A 90 -1.380 6.711 -18.951 1.00 8.32 C ATOM 1392 CE2 PHE A 90 -0.492 7.191 -21.099 1.00 12.44 C ATOM 1393 CZ PHE A 90 -0.717 7.563 -19.805 1.00 10.64 C ATOM 0 H PHE A 90 -3.086 1.752 -22.052 1.00 6.61 H new ATOM 0 HA PHE A 90 -3.848 3.654 -20.401 1.00 6.31 H new ATOM 0 HB2 PHE A 90 -1.595 3.035 -20.594 1.00 7.45 H new ATOM 0 HB3 PHE A 90 -1.569 3.547 -22.066 1.00 7.45 H new ATOM 0 HD1 PHE A 90 -2.188 4.874 -18.813 1.00 8.42 H new ATOM 0 HD2 PHE A 90 -0.708 5.682 -22.432 1.00 10.26 H new ATOM 0 HE1 PHE A 90 -1.565 6.973 -18.078 1.00 8.32 H new ATOM 0 HE2 PHE A 90 -0.071 7.781 -21.682 1.00 12.44 H new ATOM 0 HZ PHE A 90 -0.423 8.391 -19.501 1.00 10.64 H new ATOM 1403 N GLU A 91 -4.033 4.322 -23.525 1.00 7.70 N ATOM 1404 CA GLU A 91 -4.672 5.201 -24.491 1.00 9.95 C ATOM 1405 C GLU A 91 -6.178 5.203 -24.318 1.00 8.80 C ATOM 1406 O GLU A 91 -6.832 6.239 -24.478 1.00 10.00 O ATOM 1407 CB GLU A 91 -4.270 4.769 -25.897 1.00 9.76 C ATOM 1408 CG GLU A 91 -2.808 5.089 -26.205 1.00 11.26 C ATOM 1409 CD GLU A 91 -2.274 4.423 -27.486 1.00 17.21 C ATOM 1410 OE1 GLU A 91 -2.895 3.453 -28.002 1.00 16.17 O ATOM 1411 OE2 GLU A 91 -1.192 4.867 -27.953 1.00 21.63 O1- ATOM 0 H GLU A 91 -3.593 3.669 -23.871 1.00 7.70 H new ATOM 0 HA GLU A 91 -4.374 6.112 -24.343 1.00 9.95 H new ATOM 0 HB2 GLU A 91 -4.418 3.815 -25.995 1.00 9.76 H new ATOM 0 HB3 GLU A 91 -4.840 5.213 -26.545 1.00 9.76 H new ATOM 0 HG2 GLU A 91 -2.708 6.050 -26.286 1.00 11.26 H new ATOM 0 HG3 GLU A 91 -2.261 4.809 -25.455 1.00 11.26 H new ATOM 1418 N ASP A 92 -6.729 4.054 -23.962 1.00 7.94 N ATOM 1419 CA ASP A 92 -8.181 3.923 -23.772 1.00 8.22 C ATOM 1420 C ASP A 92 -8.701 4.780 -22.614 1.00 8.76 C ATOM 1421 O ASP A 92 -9.903 5.049 -22.547 1.00 8.28 O ATOM 1422 CB ASP A 92 -8.578 2.474 -23.468 1.00 8.19 C ATOM 1423 CG ASP A 92 -8.461 1.535 -24.651 1.00 10.06 C ATOM 1424 OD1 ASP A 92 -8.305 1.996 -25.808 1.00 10.34 O ATOM 1425 OD2 ASP A 92 -8.569 0.309 -24.392 1.00 13.72 O1- ATOM 0 H ASP A 92 -6.285 3.331 -23.823 1.00 7.94 H new ATOM 0 HA ASP A 92 -8.574 4.223 -24.606 1.00 8.22 H new ATOM 0 HB2 ASP A 92 -8.020 2.141 -22.748 1.00 8.19 H new ATOM 0 HB3 ASP A 92 -9.493 2.461 -23.147 1.00 8.19 H new ATOM 1430 N ILE A 93 -7.836 5.165 -21.678 1.00 7.61 N ATOM 1431 CA ILE A 93 -8.287 5.987 -20.547 1.00 7.46 C ATOM 1432 C ILE A 93 -8.976 7.270 -21.054 1.00 10.16 C ATOM 1433 O ILE A 93 -9.967 7.712 -20.466 1.00 9.45 O ATOM 1434 CB ILE A 93 -7.120 6.335 -19.588 1.00 7.72 C ATOM 1435 CG1 ILE A 93 -6.534 5.072 -18.939 1.00 9.24 C ATOM 1436 CG2 ILE A 93 -7.552 7.356 -18.513 1.00 8.75 C ATOM 1437 CD1 ILE A 93 -7.464 4.379 -18.007 1.00 7.41 C ATOM 0 H ILE A 93 -6.999 4.968 -21.674 1.00 7.61 H new ATOM 0 HA ILE A 93 -8.931 5.465 -20.043 1.00 7.46 H new ATOM 0 HB ILE A 93 -6.424 6.747 -20.123 1.00 7.72 H new ATOM 0 HG12 ILE A 93 -6.272 4.453 -19.638 1.00 9.24 H new ATOM 0 HG13 ILE A 93 -5.728 5.313 -18.456 1.00 9.24 H new ATOM 0 HG21 ILE A 93 -6.801 7.551 -17.931 1.00 8.75 H new ATOM 0 HG22 ILE A 93 -7.848 8.173 -18.943 1.00 8.75 H new ATOM 0 HG23 ILE A 93 -8.279 6.986 -17.988 1.00 8.75 H new ATOM 0 HD11 ILE A 93 -7.028 3.595 -17.638 1.00 7.41 H new ATOM 0 HD12 ILE A 93 -7.710 4.981 -17.287 1.00 7.41 H new ATOM 0 HD13 ILE A 93 -8.262 4.108 -18.488 1.00 7.41 H new ATOM 1449 N HIS A 94 -8.462 7.856 -22.126 1.00 9.11 N ATOM 1450 CA HIS A 94 -9.026 9.099 -22.674 1.00 10.82 C ATOM 1451 C HIS A 94 -10.511 8.889 -22.958 1.00 11.78 C ATOM 1452 O HIS A 94 -11.336 9.747 -22.629 1.00 13.09 O ATOM 1453 CB HIS A 94 -8.288 9.519 -23.959 1.00 10.87 C ATOM 1454 CG HIS A 94 -6.814 9.771 -23.781 1.00 10.18 C ATOM 1455 ND1 HIS A 94 -6.299 10.889 -23.155 1.00 12.82 N1+ ATOM 1456 CD2 HIS A 94 -5.748 9.053 -24.202 1.00 17.54 C ATOM 1457 CE1 HIS A 94 -4.979 10.821 -23.154 1.00 14.43 C ATOM 1458 NE2 HIS A 94 -4.620 9.721 -23.790 1.00 18.61 N ATOM 0 H HIS A 94 -7.783 7.554 -22.558 1.00 9.11 H new ATOM 0 HA HIS A 94 -8.915 9.811 -22.024 1.00 10.82 H new ATOM 0 HB2 HIS A 94 -8.407 8.826 -24.628 1.00 10.87 H new ATOM 0 HB3 HIS A 94 -8.702 10.324 -24.307 1.00 10.87 H new ATOM 0 HD1 HIS A 94 -6.764 11.529 -22.819 1.00 12.82 H new ATOM 0 HD2 HIS A 94 -5.774 8.256 -24.681 1.00 17.54 H new ATOM 0 HE1 HIS A 94 -4.402 11.442 -22.771 1.00 14.43 H new ATOM 1467 N HIS A 95 -10.865 7.760 -23.567 1.00 10.81 N ATOM 1468 CA HIS A 95 -12.250 7.415 -23.871 1.00 12.03 C ATOM 1469 C HIS A 95 -13.108 7.229 -22.615 1.00 11.32 C ATOM 1470 O HIS A 95 -14.244 7.692 -22.561 1.00 10.58 O ATOM 1471 CB HIS A 95 -12.291 6.145 -24.733 1.00 12.88 C ATOM 1472 CG HIS A 95 -13.642 5.505 -24.828 1.00 24.39 C ATOM 1473 ND1 HIS A 95 -14.711 6.115 -25.449 1.00 29.58 N1+ ATOM 1474 CD2 HIS A 95 -14.094 4.311 -24.377 1.00 22.78 C ATOM 1475 CE1 HIS A 95 -15.767 5.323 -25.375 1.00 25.91 C ATOM 1476 NE2 HIS A 95 -15.419 4.222 -24.729 1.00 31.55 N ATOM 0 H HIS A 95 -10.298 7.164 -23.819 1.00 10.81 H new ATOM 0 HA HIS A 95 -12.630 8.162 -24.360 1.00 12.03 H new ATOM 0 HB2 HIS A 95 -11.985 6.364 -25.627 1.00 12.88 H new ATOM 0 HB3 HIS A 95 -11.664 5.500 -24.369 1.00 12.88 H new ATOM 0 HD2 HIS A 95 -13.601 3.672 -23.916 1.00 22.78 H new ATOM 0 HE1 HIS A 95 -16.611 5.508 -25.719 1.00 25.91 H new ATOM 0 HE2 HIS A 95 -15.938 3.558 -24.557 1.00 31.55 H new ATOM 1485 N TYR A 96 -12.585 6.528 -21.609 1.00 10.12 N ATOM 1486 CA TYR A 96 -13.354 6.338 -20.366 1.00 11.52 C ATOM 1487 C TYR A 96 -13.590 7.681 -19.674 1.00 10.49 C ATOM 1488 O TYR A 96 -14.708 7.951 -19.217 1.00 12.14 O ATOM 1489 CB TYR A 96 -12.644 5.345 -19.417 1.00 10.91 C ATOM 1490 CG TYR A 96 -12.623 3.931 -19.955 1.00 11.24 C ATOM 1491 CD1 TYR A 96 -13.782 3.213 -20.063 1.00 10.90 C ATOM 1492 CD2 TYR A 96 -11.435 3.325 -20.363 1.00 9.92 C ATOM 1493 CE1 TYR A 96 -13.807 1.935 -20.577 1.00 10.53 C ATOM 1494 CE2 TYR A 96 -11.426 2.029 -20.888 1.00 12.69 C ATOM 1495 CZ TYR A 96 -12.609 1.328 -20.990 1.00 12.09 C ATOM 1496 OH TYR A 96 -12.606 0.045 -21.507 1.00 13.32 O ATOM 0 H TYR A 96 -11.807 6.161 -21.618 1.00 10.12 H new ATOM 0 HA TYR A 96 -14.216 5.958 -20.598 1.00 11.52 H new ATOM 0 HB2 TYR A 96 -11.733 5.643 -19.267 1.00 10.91 H new ATOM 0 HB3 TYR A 96 -13.090 5.352 -18.556 1.00 10.91 H new ATOM 0 HD1 TYR A 96 -14.579 3.600 -19.780 1.00 10.90 H new ATOM 0 HD2 TYR A 96 -10.634 3.791 -20.284 1.00 9.92 H new ATOM 0 HE1 TYR A 96 -14.613 1.476 -20.650 1.00 10.53 H new ATOM 0 HE2 TYR A 96 -10.627 1.642 -21.167 1.00 12.69 H new ATOM 0 HH TYR A 96 -13.337 -0.103 -21.894 1.00 13.32 H new ATOM 1506 N ARG A 97 -12.561 8.516 -19.582 1.00 11.43 N ATOM 1507 CA ARG A 97 -12.669 9.853 -18.973 1.00 9.03 C ATOM 1508 C ARG A 97 -13.795 10.640 -19.649 1.00 13.36 C ATOM 1509 O ARG A 97 -14.698 11.186 -18.998 1.00 12.12 O ATOM 1510 CB ARG A 97 -11.348 10.594 -19.115 1.00 15.74 C ATOM 1511 CG ARG A 97 -11.342 12.043 -18.680 1.00 18.70 C ATOM 1512 CD ARG A 97 -10.987 12.147 -17.244 1.00 18.88 C ATOM 1513 NE ARG A 97 -10.899 13.534 -16.822 1.00 17.95 N ATOM 1514 CZ ARG A 97 -11.016 13.913 -15.561 1.00 13.34 C ATOM 1515 NH1 ARG A 97 -11.234 13.002 -14.625 1.00 16.57 N ATOM 1516 NH2 ARG A 97 -10.915 15.204 -15.240 1.00 16.38 N1+ ATOM 0 H ARG A 97 -11.773 8.328 -19.871 1.00 11.43 H new ATOM 0 HA ARG A 97 -12.874 9.760 -18.030 1.00 9.03 H new ATOM 0 HB2 ARG A 97 -10.676 10.119 -18.601 1.00 15.74 H new ATOM 0 HB3 ARG A 97 -11.075 10.554 -20.045 1.00 15.74 H new ATOM 0 HG2 ARG A 97 -10.707 12.545 -19.214 1.00 18.70 H new ATOM 0 HG3 ARG A 97 -12.215 12.437 -18.833 1.00 18.70 H new ATOM 0 HD2 ARG A 97 -11.652 11.686 -16.710 1.00 18.88 H new ATOM 0 HD3 ARG A 97 -10.139 11.704 -17.085 1.00 18.88 H new ATOM 0 HE ARG A 97 -10.765 14.137 -17.420 1.00 17.95 H new ATOM 0 HH11 ARG A 97 -11.298 12.172 -14.840 1.00 16.57 H new ATOM 0 HH12 ARG A 97 -11.311 13.241 -13.802 1.00 16.57 H new ATOM 0 HH21 ARG A 97 -10.774 15.790 -15.854 1.00 16.38 H new ATOM 0 HH22 ARG A 97 -10.991 15.450 -14.420 1.00 16.38 H new ATOM 1530 N GLU A 98 -13.742 10.705 -20.970 1.00 10.94 N ATOM 1531 CA GLU A 98 -14.736 11.420 -21.756 1.00 12.48 C ATOM 1532 C GLU A 98 -16.126 10.868 -21.558 1.00 12.30 C ATOM 1533 O GLU A 98 -17.070 11.623 -21.307 1.00 10.93 O ATOM 1534 CB GLU A 98 -14.350 11.297 -23.220 1.00 13.58 C ATOM 1535 CG GLU A 98 -15.412 11.717 -24.217 1.00 16.55 C ATOM 1536 CD GLU A 98 -15.137 11.115 -25.587 1.00 23.60 C ATOM 1537 OE1 GLU A 98 -14.306 11.694 -26.291 1.00 20.00 O ATOM 1538 OE2 GLU A 98 -15.700 10.035 -25.924 1.00 22.77 O1- ATOM 0 H GLU A 98 -13.125 10.334 -21.440 1.00 10.94 H new ATOM 0 HA GLU A 98 -14.752 12.346 -21.467 1.00 12.48 H new ATOM 0 HB2 GLU A 98 -13.556 11.832 -23.374 1.00 13.58 H new ATOM 0 HB3 GLU A 98 -14.110 10.374 -23.398 1.00 13.58 H new ATOM 0 HG2 GLU A 98 -16.285 11.433 -23.904 1.00 16.55 H new ATOM 0 HG3 GLU A 98 -15.435 12.684 -24.283 1.00 16.55 H new ATOM 1545 N GLN A 99 -16.272 9.555 -21.672 1.00 10.28 N ATOM 1546 CA GLN A 99 -17.596 8.945 -21.668 1.00 8.44 C ATOM 1547 C GLN A 99 -18.335 9.142 -20.321 1.00 8.58 C ATOM 1548 O GLN A 99 -19.520 9.437 -20.264 1.00 8.94 O ATOM 1549 CB GLN A 99 -17.492 7.460 -21.985 1.00 11.66 C ATOM 1550 CG GLN A 99 -18.815 6.807 -22.281 1.00 13.57 C ATOM 1551 CD GLN A 99 -18.645 5.413 -22.869 1.00 18.66 C ATOM 1552 OE1 GLN A 99 -19.133 5.103 -23.978 1.00 18.97 O ATOM 1553 NE2 GLN A 99 -17.975 4.559 -22.132 1.00 10.02 N ATOM 0 H GLN A 99 -15.620 9.000 -21.753 1.00 10.28 H new ATOM 0 HA GLN A 99 -18.116 9.393 -22.354 1.00 8.44 H new ATOM 0 HB2 GLN A 99 -16.905 7.341 -22.748 1.00 11.66 H new ATOM 0 HB3 GLN A 99 -17.078 7.006 -21.235 1.00 11.66 H new ATOM 0 HG2 GLN A 99 -19.337 6.751 -21.465 1.00 13.57 H new ATOM 0 HG3 GLN A 99 -19.316 7.360 -22.901 1.00 13.57 H new ATOM 0 HE21 GLN A 99 -17.653 4.806 -21.374 1.00 10.02 H new ATOM 0 HE22 GLN A 99 -17.858 3.753 -22.407 1.00 10.02 H new ATOM 1562 N ILE A 100 -17.604 8.960 -19.226 1.00 7.97 N ATOM 1563 CA ILE A 100 -18.165 9.134 -17.888 1.00 8.08 C ATOM 1564 C ILE A 100 -18.620 10.583 -17.707 1.00 9.01 C ATOM 1565 O ILE A 100 -19.746 10.837 -17.260 1.00 7.75 O ATOM 1566 CB ILE A 100 -17.137 8.753 -16.826 1.00 7.93 C ATOM 1567 CG1 ILE A 100 -16.880 7.238 -16.868 1.00 7.95 C ATOM 1568 CG2 ILE A 100 -17.637 9.120 -15.463 1.00 9.07 C ATOM 1569 CD1 ILE A 100 -15.601 6.835 -16.226 1.00 8.99 C ATOM 0 H ILE A 100 -16.774 8.734 -19.236 1.00 7.97 H new ATOM 0 HA ILE A 100 -18.932 8.550 -17.785 1.00 8.08 H new ATOM 0 HB ILE A 100 -16.315 9.234 -17.009 1.00 7.93 H new ATOM 0 HG12 ILE A 100 -17.613 6.781 -16.427 1.00 7.95 H new ATOM 0 HG13 ILE A 100 -16.877 6.943 -17.792 1.00 7.95 H new ATOM 0 HG21 ILE A 100 -16.975 8.873 -14.798 1.00 9.07 H new ATOM 0 HG22 ILE A 100 -17.794 10.076 -15.422 1.00 9.07 H new ATOM 0 HG23 ILE A 100 -18.466 8.649 -15.284 1.00 9.07 H new ATOM 0 HD11 ILE A 100 -15.498 5.872 -16.285 1.00 8.99 H new ATOM 0 HD12 ILE A 100 -14.861 7.267 -16.680 1.00 8.99 H new ATOM 0 HD13 ILE A 100 -15.609 7.102 -15.294 1.00 8.99 H new ATOM 1581 N LYS A 101 -17.759 11.540 -18.053 1.00 8.28 N ATOM 1582 CA LYS A 101 -18.136 12.962 -17.964 1.00 9.33 C ATOM 1583 C LYS A 101 -19.345 13.263 -18.841 1.00 9.41 C ATOM 1584 O LYS A 101 -20.257 13.994 -18.446 1.00 9.38 O ATOM 1585 CB LYS A 101 -16.967 13.870 -18.338 1.00 8.41 C ATOM 1586 CG LYS A 101 -15.829 13.906 -17.309 1.00 10.27 C ATOM 1587 CD LYS A 101 -14.638 14.704 -17.805 1.00 11.63 C ATOM 1588 CE LYS A 101 -14.990 16.129 -18.076 1.00 13.55 C ATOM 1589 NZ LYS A 101 -13.728 16.885 -18.379 1.00 12.38 N1+ ATOM 0 H LYS A 101 -16.961 11.395 -18.339 1.00 8.28 H new ATOM 0 HA LYS A 101 -18.375 13.143 -17.041 1.00 9.33 H new ATOM 0 HB2 LYS A 101 -16.607 13.579 -19.190 1.00 8.41 H new ATOM 0 HB3 LYS A 101 -17.301 14.772 -18.464 1.00 8.41 H new ATOM 0 HG2 LYS A 101 -16.155 14.293 -16.482 1.00 10.27 H new ATOM 0 HG3 LYS A 101 -15.548 13.000 -17.107 1.00 10.27 H new ATOM 0 HD2 LYS A 101 -13.928 14.667 -17.145 1.00 11.63 H new ATOM 0 HD3 LYS A 101 -14.293 14.298 -18.615 1.00 11.63 H new ATOM 0 HE2 LYS A 101 -15.605 16.187 -18.824 1.00 13.55 H new ATOM 0 HE3 LYS A 101 -15.439 16.517 -17.308 1.00 13.55 H new ATOM 0 HZ1 LYS A 101 -13.907 17.546 -18.948 1.00 12.38 H new ATOM 0 HZ2 LYS A 101 -13.397 17.224 -17.626 1.00 12.38 H new ATOM 0 HZ3 LYS A 101 -13.132 16.334 -18.743 1.00 12.38 H new ATOM 1603 N ARG A 102 -19.359 12.670 -20.023 1.00 7.98 N ATOM 1604 CA ARG A 102 -20.424 12.901 -20.970 1.00 7.56 C ATOM 1605 C ARG A 102 -21.786 12.411 -20.448 1.00 9.66 C ATOM 1606 O ARG A 102 -22.796 13.142 -20.467 1.00 8.92 O ATOM 1607 CB ARG A 102 -20.041 12.209 -22.263 1.00 12.43 C ATOM 1608 CG ARG A 102 -20.904 12.517 -23.411 1.00 11.52 C ATOM 1609 CD ARG A 102 -20.202 12.204 -24.725 1.00 14.30 C ATOM 1610 NE ARG A 102 -19.158 13.167 -25.034 1.00 14.37 N ATOM 1611 CZ ARG A 102 -18.308 13.065 -26.045 1.00 12.90 C ATOM 1612 NH1 ARG A 102 -18.362 12.022 -26.871 1.00 15.57 N ATOM 1613 NH2 ARG A 102 -17.393 14.001 -26.241 1.00 15.72 N1+ ATOM 0 H ARG A 102 -18.752 12.125 -20.295 1.00 7.98 H new ATOM 0 HA ARG A 102 -20.531 13.854 -21.115 1.00 7.56 H new ATOM 0 HB2 ARG A 102 -19.129 12.452 -22.487 1.00 12.43 H new ATOM 0 HB3 ARG A 102 -20.051 11.250 -22.116 1.00 12.43 H new ATOM 0 HG2 ARG A 102 -21.725 12.004 -23.349 1.00 11.52 H new ATOM 0 HG3 ARG A 102 -21.153 13.454 -23.390 1.00 11.52 H new ATOM 0 HD2 ARG A 102 -19.816 11.315 -24.680 1.00 14.30 H new ATOM 0 HD3 ARG A 102 -20.854 12.194 -25.443 1.00 14.30 H new ATOM 0 HE ARG A 102 -19.087 13.854 -24.522 1.00 14.37 H new ATOM 0 HH11 ARG A 102 -18.952 11.408 -26.750 1.00 15.57 H new ATOM 0 HH12 ARG A 102 -17.807 11.962 -27.525 1.00 15.57 H new ATOM 0 HH21 ARG A 102 -17.349 14.677 -25.711 1.00 15.72 H new ATOM 0 HH22 ARG A 102 -16.842 13.933 -26.898 1.00 15.72 H new ATOM 1627 N VAL A 103 -21.820 11.179 -19.958 1.00 8.52 N ATOM 1628 CA VAL A 103 -23.059 10.618 -19.448 1.00 8.42 C ATOM 1629 C VAL A 103 -23.518 11.361 -18.204 1.00 9.96 C ATOM 1630 O VAL A 103 -24.705 11.668 -18.065 1.00 10.18 O ATOM 1631 CB VAL A 103 -22.885 9.110 -19.146 1.00 10.75 C ATOM 1632 CG1 VAL A 103 -24.090 8.554 -18.386 1.00 10.85 C ATOM 1633 CG2 VAL A 103 -22.650 8.337 -20.435 1.00 10.77 C ATOM 0 H VAL A 103 -21.140 10.655 -19.912 1.00 8.52 H new ATOM 0 HA VAL A 103 -23.742 10.720 -20.130 1.00 8.42 H new ATOM 0 HB VAL A 103 -22.107 9.003 -18.577 1.00 10.75 H new ATOM 0 HG11 VAL A 103 -23.955 7.610 -18.210 1.00 10.85 H new ATOM 0 HG12 VAL A 103 -24.189 9.028 -17.545 1.00 10.85 H new ATOM 0 HG13 VAL A 103 -24.892 8.671 -18.919 1.00 10.85 H new ATOM 0 HG21 VAL A 103 -22.543 7.395 -20.232 1.00 10.77 H new ATOM 0 HG22 VAL A 103 -23.409 8.456 -21.027 1.00 10.77 H new ATOM 0 HG23 VAL A 103 -21.848 8.667 -20.869 1.00 10.77 H new ATOM 1643 N LYS A 104 -22.609 11.637 -17.275 1.00 8.73 N ATOM 1644 CA LYS A 104 -22.986 12.346 -16.050 1.00 8.58 C ATOM 1645 C LYS A 104 -23.247 13.831 -16.291 1.00 10.93 C ATOM 1646 O LYS A 104 -23.766 14.533 -15.424 1.00 13.74 O ATOM 1647 CB LYS A 104 -21.922 12.132 -14.972 1.00 9.41 C ATOM 1648 CG LYS A 104 -21.779 10.664 -14.572 1.00 9.35 C ATOM 1649 CD LYS A 104 -20.807 10.419 -13.404 1.00 10.25 C ATOM 1650 CE LYS A 104 -21.341 10.814 -12.048 1.00 9.37 C ATOM 1651 NZ LYS A 104 -22.577 10.097 -11.657 1.00 10.22 N1+ ATOM 0 H LYS A 104 -21.777 11.427 -17.330 1.00 8.73 H new ATOM 0 HA LYS A 104 -23.825 11.972 -15.739 1.00 8.58 H new ATOM 0 HB2 LYS A 104 -21.068 12.460 -15.295 1.00 9.41 H new ATOM 0 HB3 LYS A 104 -22.150 12.657 -14.189 1.00 9.41 H new ATOM 0 HG2 LYS A 104 -22.653 10.319 -14.330 1.00 9.35 H new ATOM 0 HG3 LYS A 104 -21.477 10.157 -15.342 1.00 9.35 H new ATOM 0 HD2 LYS A 104 -20.574 9.478 -13.385 1.00 10.25 H new ATOM 0 HD3 LYS A 104 -19.988 10.911 -13.572 1.00 10.25 H new ATOM 0 HE2 LYS A 104 -20.657 10.649 -11.380 1.00 9.37 H new ATOM 0 HE3 LYS A 104 -21.516 11.768 -12.045 1.00 9.37 H new ATOM 0 HZ1 LYS A 104 -22.672 10.130 -10.773 1.00 10.22 H new ATOM 0 HZ2 LYS A 104 -23.279 10.482 -12.045 1.00 10.22 H new ATOM 0 HZ3 LYS A 104 -22.523 9.248 -11.918 1.00 10.22 H new ATOM 1665 N ASP A 105 -22.904 14.298 -17.483 1.00 10.31 N ATOM 1666 CA ASP A 105 -23.013 15.716 -17.850 1.00 10.48 C ATOM 1667 C ASP A 105 -22.375 16.603 -16.782 1.00 13.01 C ATOM 1668 O ASP A 105 -22.982 17.574 -16.295 1.00 14.36 O ATOM 1669 CB ASP A 105 -24.470 16.140 -18.104 1.00 11.45 C ATOM 1670 CG ASP A 105 -24.560 17.455 -18.820 1.00 14.71 C ATOM 1671 OD1 ASP A 105 -23.625 17.772 -19.584 1.00 17.10 O ATOM 1672 OD2 ASP A 105 -25.586 18.154 -18.628 1.00 19.37 O1- ATOM 0 H ASP A 105 -22.597 13.800 -18.113 1.00 10.31 H new ATOM 0 HA ASP A 105 -22.529 15.832 -18.683 1.00 10.48 H new ATOM 0 HB2 ASP A 105 -24.917 15.457 -18.628 1.00 11.45 H new ATOM 0 HB3 ASP A 105 -24.940 16.202 -17.258 1.00 11.45 H new ATOM 1677 N SER A 106 -21.139 16.270 -16.428 1.00 10.90 N ATOM 1678 CA SER A 106 -20.439 16.910 -15.343 1.00 10.75 C ATOM 1679 C SER A 106 -18.961 17.078 -15.658 1.00 14.17 C ATOM 1680 O SER A 106 -18.353 16.216 -16.297 1.00 12.74 O ATOM 1681 CB SER A 106 -20.599 16.051 -14.097 1.00 12.46 C ATOM 1682 OG SER A 106 -19.819 16.583 -13.040 1.00 16.83 O ATOM 0 H SER A 106 -20.683 15.656 -16.822 1.00 10.90 H new ATOM 0 HA SER A 106 -20.814 17.794 -15.204 1.00 10.75 H new ATOM 0 HB2 SER A 106 -21.532 16.018 -13.835 1.00 12.46 H new ATOM 0 HB3 SER A 106 -20.324 15.140 -14.285 1.00 12.46 H new ATOM 0 HG SER A 106 -19.912 16.106 -12.355 1.00 16.83 H new ATOM 1688 N GLU A 107 -18.401 18.212 -15.227 1.00 13.39 N ATOM 1689 CA GLU A 107 -16.973 18.476 -15.322 1.00 16.04 C ATOM 1690 C GLU A 107 -16.220 18.089 -14.046 1.00 18.63 C ATOM 1691 O GLU A 107 -15.003 18.230 -13.972 1.00 22.48 O ATOM 1692 CB GLU A 107 -16.756 19.965 -15.571 1.00 20.35 C ATOM 1693 CG GLU A 107 -17.369 20.459 -16.834 1.00 32.79 C ATOM 1694 CD GLU A 107 -16.918 21.866 -17.162 1.00 39.66 C ATOM 1695 OE1 GLU A 107 -17.055 22.753 -16.294 1.00 38.77 O ATOM 1696 OE2 GLU A 107 -16.410 22.074 -18.281 1.00 44.64 O1- ATOM 0 H GLU A 107 -18.849 18.853 -14.868 1.00 13.39 H new ATOM 0 HA GLU A 107 -16.628 17.938 -16.052 1.00 16.04 H new ATOM 0 HB2 GLU A 107 -17.123 20.466 -14.826 1.00 20.35 H new ATOM 0 HB3 GLU A 107 -15.803 20.145 -15.592 1.00 20.35 H new ATOM 0 HG2 GLU A 107 -17.132 19.865 -17.563 1.00 32.79 H new ATOM 0 HG3 GLU A 107 -18.336 20.439 -16.754 1.00 32.79 H new ATOM 1703 N ASP A 108 -16.954 17.630 -13.043 1.00 14.23 N ATOM 1704 CA ASP A 108 -16.434 17.359 -11.707 1.00 13.12 C ATOM 1705 C ASP A 108 -16.874 15.961 -11.267 1.00 11.22 C ATOM 1706 O ASP A 108 -17.770 15.818 -10.422 1.00 14.55 O ATOM 1707 CB ASP A 108 -16.971 18.420 -10.747 1.00 17.35 C ATOM 1708 CG ASP A 108 -16.351 18.349 -9.373 1.00 21.75 C ATOM 1709 OD1 ASP A 108 -15.308 17.697 -9.213 1.00 19.79 O ATOM 1710 OD2 ASP A 108 -16.912 18.961 -8.437 1.00 23.29 O1- ATOM 0 H ASP A 108 -17.794 17.462 -13.121 1.00 14.23 H new ATOM 0 HA ASP A 108 -15.465 17.392 -11.707 1.00 13.12 H new ATOM 0 HB2 ASP A 108 -16.809 19.299 -11.123 1.00 17.35 H new ATOM 0 HB3 ASP A 108 -17.932 18.318 -10.667 1.00 17.35 H new ATOM 1715 N VAL A 109 -16.223 14.936 -11.828 1.00 10.74 N ATOM 1716 CA VAL A 109 -16.537 13.557 -11.481 1.00 7.87 C ATOM 1717 C VAL A 109 -15.350 12.930 -10.762 1.00 7.77 C ATOM 1718 O VAL A 109 -14.287 12.803 -11.342 1.00 8.50 O ATOM 1719 CB VAL A 109 -16.859 12.699 -12.729 1.00 8.99 C ATOM 1720 CG1 VAL A 109 -17.214 11.293 -12.301 1.00 10.17 C ATOM 1721 CG2 VAL A 109 -18.011 13.333 -13.489 1.00 10.99 C ATOM 0 H VAL A 109 -15.597 15.024 -12.411 1.00 10.74 H new ATOM 0 HA VAL A 109 -17.321 13.576 -10.911 1.00 7.87 H new ATOM 0 HB VAL A 109 -16.084 12.658 -13.310 1.00 8.99 H new ATOM 0 HG11 VAL A 109 -17.415 10.757 -13.084 1.00 10.17 H new ATOM 0 HG12 VAL A 109 -16.465 10.901 -11.825 1.00 10.17 H new ATOM 0 HG13 VAL A 109 -17.989 11.318 -11.719 1.00 10.17 H new ATOM 0 HG21 VAL A 109 -18.216 12.798 -14.272 1.00 10.99 H new ATOM 0 HG22 VAL A 109 -18.792 13.378 -12.915 1.00 10.99 H new ATOM 0 HG23 VAL A 109 -17.762 14.229 -13.766 1.00 10.99 H new ATOM 1731 N PRO A 110 -15.523 12.482 -9.514 1.00 6.65 N ATOM 1732 CA PRO A 110 -14.421 11.812 -8.810 1.00 6.70 C ATOM 1733 C PRO A 110 -13.882 10.615 -9.582 1.00 6.75 C ATOM 1734 O PRO A 110 -14.622 9.717 -9.993 1.00 7.03 O ATOM 1735 CB PRO A 110 -15.061 11.371 -7.489 1.00 6.97 C ATOM 1736 CG PRO A 110 -16.131 12.422 -7.262 1.00 7.92 C ATOM 1737 CD PRO A 110 -16.687 12.687 -8.623 1.00 6.75 C ATOM 0 HA PRO A 110 -13.654 12.394 -8.693 1.00 6.70 H new ATOM 0 HB2 PRO A 110 -15.440 10.480 -7.553 1.00 6.97 H new ATOM 0 HB3 PRO A 110 -14.415 11.353 -6.765 1.00 6.97 H new ATOM 0 HG2 PRO A 110 -16.817 12.102 -6.656 1.00 7.92 H new ATOM 0 HG3 PRO A 110 -15.758 13.227 -6.869 1.00 7.92 H new ATOM 0 HD2 PRO A 110 -17.413 12.080 -8.837 1.00 6.75 H new ATOM 0 HD3 PRO A 110 -17.039 13.588 -8.696 1.00 6.75 H new ATOM 1745 N MET A 111 -12.570 10.648 -9.797 1.00 6.35 N ATOM 1746 CA MET A 111 -11.866 9.586 -10.500 1.00 7.10 C ATOM 1747 C MET A 111 -10.466 9.444 -9.938 1.00 7.58 C ATOM 1748 O MET A 111 -9.889 10.409 -9.418 1.00 7.20 O ATOM 1749 CB MET A 111 -11.751 9.872 -12.000 1.00 7.51 C ATOM 1750 CG MET A 111 -13.070 9.993 -12.736 1.00 6.74 C ATOM 1751 SD MET A 111 -12.867 9.940 -14.518 1.00 9.14 S ATOM 1752 CE MET A 111 -14.343 10.810 -14.998 1.00 10.72 C ATOM 0 H MET A 111 -12.062 11.292 -9.537 1.00 6.35 H new ATOM 0 HA MET A 111 -12.377 8.771 -10.376 1.00 7.10 H new ATOM 0 HB2 MET A 111 -11.253 10.696 -12.121 1.00 7.51 H new ATOM 0 HB3 MET A 111 -11.231 9.164 -12.411 1.00 7.51 H new ATOM 0 HG2 MET A 111 -13.659 9.274 -12.459 1.00 6.74 H new ATOM 0 HG3 MET A 111 -13.501 10.825 -12.487 1.00 6.74 H new ATOM 0 HE1 MET A 111 -14.459 10.746 -15.959 1.00 10.72 H new ATOM 0 HE2 MET A 111 -15.110 10.416 -14.554 1.00 10.72 H new ATOM 0 HE3 MET A 111 -14.266 11.743 -14.743 1.00 10.72 H new ATOM 1762 N VAL A 112 -9.915 8.238 -10.064 1.00 5.78 N ATOM 1763 CA VAL A 112 -8.512 7.966 -9.755 1.00 6.65 C ATOM 1764 C VAL A 112 -7.947 7.167 -10.913 1.00 6.73 C ATOM 1765 O VAL A 112 -8.586 6.224 -11.377 1.00 6.87 O ATOM 1766 CB VAL A 112 -8.386 7.156 -8.438 1.00 7.06 C ATOM 1767 CG1 VAL A 112 -6.961 6.687 -8.218 1.00 9.12 C ATOM 1768 CG2 VAL A 112 -8.884 7.986 -7.265 1.00 7.28 C ATOM 0 H VAL A 112 -10.350 7.547 -10.334 1.00 5.78 H new ATOM 0 HA VAL A 112 -8.026 8.796 -9.634 1.00 6.65 H new ATOM 0 HB VAL A 112 -8.941 6.364 -8.508 1.00 7.06 H new ATOM 0 HG11 VAL A 112 -6.910 6.184 -7.390 1.00 9.12 H new ATOM 0 HG12 VAL A 112 -6.689 6.121 -8.957 1.00 9.12 H new ATOM 0 HG13 VAL A 112 -6.372 7.456 -8.166 1.00 9.12 H new ATOM 0 HG21 VAL A 112 -8.802 7.472 -6.447 1.00 7.28 H new ATOM 0 HG22 VAL A 112 -8.354 8.795 -7.193 1.00 7.28 H new ATOM 0 HG23 VAL A 112 -9.814 8.221 -7.406 1.00 7.28 H new ATOM 1778 N LEU A 113 -6.753 7.543 -11.365 1.00 6.43 N ATOM 1779 CA LEU A 113 -6.043 6.803 -12.380 1.00 6.74 C ATOM 1780 C LEU A 113 -5.221 5.705 -11.725 1.00 6.13 C ATOM 1781 O LEU A 113 -4.463 5.951 -10.788 1.00 6.96 O ATOM 1782 CB LEU A 113 -5.137 7.743 -13.148 1.00 7.01 C ATOM 1783 CG LEU A 113 -4.421 7.124 -14.352 1.00 5.46 C ATOM 1784 CD1 LEU A 113 -5.373 6.721 -15.457 1.00 8.18 C ATOM 1785 CD2 LEU A 113 -3.384 8.071 -14.900 1.00 7.24 C ATOM 0 H LEU A 113 -6.336 8.241 -11.084 1.00 6.43 H new ATOM 0 HA LEU A 113 -6.677 6.400 -12.994 1.00 6.74 H new ATOM 0 HB2 LEU A 113 -5.664 8.497 -13.456 1.00 7.01 H new ATOM 0 HB3 LEU A 113 -4.469 8.094 -12.539 1.00 7.01 H new ATOM 0 HG LEU A 113 -3.991 6.317 -14.028 1.00 5.46 H new ATOM 0 HD11 LEU A 113 -4.871 6.336 -16.193 1.00 8.18 H new ATOM 0 HD12 LEU A 113 -6.003 6.066 -15.119 1.00 8.18 H new ATOM 0 HD13 LEU A 113 -5.856 7.502 -15.769 1.00 8.18 H new ATOM 0 HD21 LEU A 113 -2.942 7.662 -15.661 1.00 7.24 H new ATOM 0 HD22 LEU A 113 -3.813 8.894 -15.180 1.00 7.24 H new ATOM 0 HD23 LEU A 113 -2.728 8.267 -14.212 1.00 7.24 H new ATOM 1797 N VAL A 114 -5.367 4.481 -12.220 1.00 5.87 N ATOM 1798 CA VAL A 114 -4.700 3.325 -11.658 1.00 6.31 C ATOM 1799 C VAL A 114 -3.891 2.614 -12.736 1.00 6.26 C ATOM 1800 O VAL A 114 -4.456 2.212 -13.762 1.00 6.56 O ATOM 1801 CB VAL A 114 -5.730 2.348 -11.058 1.00 7.11 C ATOM 1802 CG1 VAL A 114 -5.086 1.032 -10.599 1.00 7.94 C ATOM 1803 CG2 VAL A 114 -6.461 3.006 -9.876 1.00 7.99 C ATOM 0 H VAL A 114 -5.863 4.301 -12.899 1.00 5.87 H new ATOM 0 HA VAL A 114 -4.104 3.626 -10.954 1.00 6.31 H new ATOM 0 HB VAL A 114 -6.364 2.136 -11.761 1.00 7.11 H new ATOM 0 HG11 VAL A 114 -5.768 0.449 -10.230 1.00 7.94 H new ATOM 0 HG12 VAL A 114 -4.665 0.596 -11.356 1.00 7.94 H new ATOM 0 HG13 VAL A 114 -4.418 1.218 -9.921 1.00 7.94 H new ATOM 0 HG21 VAL A 114 -7.106 2.383 -9.507 1.00 7.99 H new ATOM 0 HG22 VAL A 114 -5.818 3.248 -9.192 1.00 7.99 H new ATOM 0 HG23 VAL A 114 -6.921 3.803 -10.183 1.00 7.99 H new ATOM 1813 N GLY A 115 -2.582 2.465 -12.517 1.00 6.13 N ATOM 1814 CA GLY A 115 -1.720 1.671 -13.373 1.00 6.63 C ATOM 1815 C GLY A 115 -1.423 0.366 -12.675 1.00 7.07 C ATOM 1816 O GLY A 115 -0.638 0.307 -11.727 1.00 7.44 O ATOM 0 H GLY A 115 -2.171 2.830 -11.856 1.00 6.13 H new ATOM 0 HA2 GLY A 115 -2.151 1.506 -14.226 1.00 6.63 H new ATOM 0 HA3 GLY A 115 -0.897 2.149 -13.559 1.00 6.63 H new ATOM 1820 N ASN A 116 -2.037 -0.706 -13.126 1.00 6.63 N ATOM 1821 CA ASN A 116 -1.942 -2.007 -12.496 1.00 6.41 C ATOM 1822 C ASN A 116 -0.887 -2.889 -13.143 1.00 7.55 C ATOM 1823 O ASN A 116 -0.402 -2.609 -14.154 1.00 7.66 O ATOM 1824 CB ASN A 116 -3.328 -2.653 -12.555 1.00 6.33 C ATOM 1825 CG ASN A 116 -3.458 -3.883 -11.682 1.00 7.69 C ATOM 1826 OD1 ASN A 116 -3.103 -3.865 -10.557 1.00 7.93 O ATOM 1827 ND2 ASN A 116 -3.959 -4.953 -12.253 1.00 8.15 N ATOM 0 H ASN A 116 -2.535 -0.700 -13.827 1.00 6.63 H new ATOM 0 HA ASN A 116 -1.658 -1.900 -11.575 1.00 6.41 H new ATOM 0 HB2 ASN A 116 -3.993 -2.001 -12.284 1.00 6.33 H new ATOM 0 HB3 ASN A 116 -3.526 -2.895 -13.473 1.00 6.33 H new ATOM 0 HD21 ASN A 116 -4.040 -5.682 -11.804 1.00 8.15 H new ATOM 0 HD22 ASN A 116 -4.206 -4.925 -13.076 1.00 8.15 H new ATOM 1834 N LYS A 117 -0.554 -3.937 -12.403 1.00 7.56 N ATOM 1835 CA LYS A 117 0.436 -4.964 -12.740 1.00 6.73 C ATOM 1836 C LYS A 117 1.847 -4.474 -12.496 1.00 9.18 C ATOM 1837 O LYS A 117 2.725 -4.821 -13.173 1.00 9.19 O ATOM 1838 CB LYS A 117 0.238 -5.533 -14.164 1.00 8.24 C ATOM 1839 CG LYS A 117 -1.177 -5.962 -14.514 1.00 8.44 C ATOM 1840 CD LYS A 117 -1.276 -6.897 -15.710 1.00 8.66 C ATOM 1841 CE LYS A 117 -2.731 -7.171 -16.070 1.00 8.68 C ATOM 1842 NZ LYS A 117 -2.744 -8.066 -17.257 1.00 10.37 N1+ ATOM 0 H LYS A 117 -0.922 -4.081 -11.639 1.00 7.56 H new ATOM 0 HA LYS A 117 0.290 -5.710 -12.138 1.00 6.73 H new ATOM 0 HB2 LYS A 117 0.522 -4.862 -14.804 1.00 8.24 H new ATOM 0 HB3 LYS A 117 0.826 -6.297 -14.273 1.00 8.24 H new ATOM 0 HG2 LYS A 117 -1.570 -6.399 -13.743 1.00 8.44 H new ATOM 0 HG3 LYS A 117 -1.708 -5.170 -14.692 1.00 8.44 H new ATOM 0 HD2 LYS A 117 -0.820 -6.504 -16.470 1.00 8.66 H new ATOM 0 HD3 LYS A 117 -0.826 -7.733 -15.510 1.00 8.66 H new ATOM 0 HE2 LYS A 117 -3.193 -7.587 -15.325 1.00 8.68 H new ATOM 0 HE3 LYS A 117 -3.195 -6.342 -16.264 1.00 8.68 H new ATOM 0 HZ1 LYS A 117 -3.584 -8.195 -17.523 1.00 10.37 H new ATOM 0 HZ2 LYS A 117 -2.278 -7.692 -17.917 1.00 10.37 H new ATOM 0 HZ3 LYS A 117 -2.378 -8.848 -17.043 1.00 10.37 H new ATOM 1856 N SER A 118 1.998 -3.684 -11.455 1.00 8.90 N ATOM 1857 CA SER A 118 3.282 -3.082 -11.106 1.00 9.94 C ATOM 1858 C SER A 118 4.341 -4.076 -10.676 1.00 11.60 C ATOM 1859 O SER A 118 5.471 -3.785 -10.636 1.00 13.14 O ATOM 1860 CB SER A 118 3.170 -2.019 -10.037 1.00 12.66 C ATOM 1861 OG SER A 118 2.897 -2.600 -8.772 1.00 12.64 O ATOM 0 H SER A 118 1.357 -3.475 -10.921 1.00 8.90 H new ATOM 0 HA SER A 118 3.564 -2.677 -11.941 1.00 9.94 H new ATOM 0 HB2 SER A 118 3.995 -1.511 -9.993 1.00 12.66 H new ATOM 0 HB3 SER A 118 2.465 -1.394 -10.269 1.00 12.66 H new ATOM 0 HG SER A 118 2.893 -2.001 -8.183 1.00 12.64 H new ATOM 1867 N ASP A 119 3.915 -5.277 -10.410 1.00 9.01 N ATOM 1868 CA ASP A 119 4.833 -6.344 -10.053 1.00 10.42 C ATOM 1869 C ASP A 119 5.589 -6.903 -11.237 1.00 14.01 C ATOM 1870 O ASP A 119 6.526 -7.592 -11.048 1.00 16.22 O ATOM 1871 CB ASP A 119 4.077 -7.477 -9.355 1.00 11.07 C ATOM 1872 CG ASP A 119 2.955 -8.014 -10.187 1.00 10.77 C ATOM 1873 OD1 ASP A 119 1.919 -7.352 -10.269 1.00 9.70 O ATOM 1874 OD2 ASP A 119 3.151 -9.069 -10.769 1.00 13.61 O1- ATOM 0 H ASP A 119 3.087 -5.509 -10.428 1.00 9.01 H new ATOM 0 HA ASP A 119 5.488 -5.952 -9.454 1.00 10.42 H new ATOM 0 HB2 ASP A 119 4.695 -8.195 -9.148 1.00 11.07 H new ATOM 0 HB3 ASP A 119 3.724 -7.155 -8.511 1.00 11.07 H new ATOM 1879 N LEU A 120 5.133 -6.617 -12.426 1.00 13.93 N ATOM 1880 CA LEU A 120 5.868 -7.028 -13.621 1.00 17.69 C ATOM 1881 C LEU A 120 6.949 -5.996 -14.000 1.00 12.48 C ATOM 1882 O LEU A 120 6.663 -4.805 -14.145 1.00 17.11 O ATOM 1883 CB LEU A 120 4.884 -7.199 -14.777 1.00 14.82 C ATOM 1884 CG LEU A 120 3.755 -8.189 -14.545 1.00 14.68 C ATOM 1885 CD1 LEU A 120 2.801 -8.183 -15.722 1.00 16.86 C ATOM 1886 CD2 LEU A 120 4.273 -9.601 -14.262 1.00 17.78 C ATOM 0 H LEU A 120 4.404 -6.188 -12.578 1.00 13.93 H new ATOM 0 HA LEU A 120 6.315 -7.869 -13.435 1.00 17.69 H new ATOM 0 HB2 LEU A 120 4.496 -6.333 -14.979 1.00 14.82 H new ATOM 0 HB3 LEU A 120 5.380 -7.478 -15.563 1.00 14.82 H new ATOM 0 HG LEU A 120 3.274 -7.905 -13.752 1.00 14.68 H new ATOM 0 HD11 LEU A 120 2.086 -8.818 -15.562 1.00 16.86 H new ATOM 0 HD12 LEU A 120 2.426 -7.295 -15.830 1.00 16.86 H new ATOM 0 HD13 LEU A 120 3.280 -8.432 -16.528 1.00 16.86 H new ATOM 0 HD21 LEU A 120 3.522 -10.199 -14.120 1.00 17.78 H new ATOM 0 HD22 LEU A 120 4.795 -9.912 -15.018 1.00 17.78 H new ATOM 0 HD23 LEU A 120 4.830 -9.588 -13.468 1.00 17.78 H new ATOM 1898 N PRO A 121 8.219 -6.428 -14.155 1.00 16.74 N ATOM 1899 CA PRO A 121 9.190 -5.493 -14.749 1.00 16.01 C ATOM 1900 C PRO A 121 8.849 -5.084 -16.192 1.00 15.49 C ATOM 1901 O PRO A 121 9.174 -3.956 -16.589 1.00 18.72 O ATOM 1902 CB PRO A 121 10.513 -6.282 -14.721 1.00 21.08 C ATOM 1903 CG PRO A 121 10.108 -7.717 -14.602 1.00 30.10 C ATOM 1904 CD PRO A 121 8.837 -7.719 -13.812 1.00 16.99 C ATOM 0 HA PRO A 121 9.211 -4.657 -14.258 1.00 16.01 H new ATOM 0 HB2 PRO A 121 11.030 -6.129 -15.527 1.00 21.08 H new ATOM 0 HB3 PRO A 121 11.068 -6.011 -13.973 1.00 21.08 H new ATOM 0 HG2 PRO A 121 9.974 -8.114 -15.477 1.00 30.10 H new ATOM 0 HG3 PRO A 121 10.795 -8.237 -14.156 1.00 30.10 H new ATOM 0 HD2 PRO A 121 8.266 -8.464 -14.055 1.00 16.99 H new ATOM 0 HD3 PRO A 121 9.008 -7.792 -12.860 1.00 16.99 H new ATOM 1912 N SER A 122 8.193 -5.978 -16.935 1.00 13.19 N ATOM 1913 CA SER A 122 7.735 -5.681 -18.281 1.00 14.08 C ATOM 1914 C SER A 122 6.769 -4.505 -18.248 1.00 12.46 C ATOM 1915 O SER A 122 5.724 -4.563 -17.593 1.00 12.67 O ATOM 1916 CB SER A 122 7.057 -6.889 -18.863 1.00 18.07 C ATOM 1917 OG SER A 122 6.740 -6.654 -20.202 1.00 15.61 O ATOM 0 H SER A 122 8.004 -6.773 -16.667 1.00 13.19 H new ATOM 0 HA SER A 122 8.496 -5.448 -18.835 1.00 14.08 H new ATOM 0 HB2 SER A 122 7.638 -7.663 -18.790 1.00 18.07 H new ATOM 0 HB3 SER A 122 6.251 -7.091 -18.362 1.00 18.07 H new ATOM 0 HG SER A 122 6.026 -7.051 -20.395 1.00 15.61 H new ATOM 1923 N ARG A 123 7.147 -3.430 -18.903 1.00 7.73 N ATOM 1924 CA ARG A 123 6.499 -2.142 -18.768 1.00 8.32 C ATOM 1925 C ARG A 123 6.625 -1.397 -20.069 1.00 10.02 C ATOM 1926 O ARG A 123 7.730 -1.282 -20.617 1.00 8.90 O ATOM 1927 CB ARG A 123 7.142 -1.322 -17.638 1.00 9.62 C ATOM 1928 CG ARG A 123 6.659 0.117 -17.553 1.00 9.43 C ATOM 1929 CD ARG A 123 7.371 0.905 -16.455 1.00 11.10 C ATOM 1930 NE ARG A 123 7.072 0.507 -15.087 1.00 10.85 N ATOM 1931 CZ ARG A 123 6.158 1.061 -14.306 1.00 10.64 C ATOM 1932 NH1 ARG A 123 5.345 1.986 -14.779 1.00 9.74 N ATOM 1933 NH2 ARG A 123 6.040 0.670 -13.045 1.00 11.92 N1+ ATOM 0 H ARG A 123 7.806 -3.426 -19.455 1.00 7.73 H new ATOM 0 HA ARG A 123 5.564 -2.279 -18.549 1.00 8.32 H new ATOM 0 HB2 ARG A 123 6.964 -1.762 -16.792 1.00 9.62 H new ATOM 0 HB3 ARG A 123 8.104 -1.322 -17.760 1.00 9.62 H new ATOM 0 HG2 ARG A 123 6.802 0.555 -18.407 1.00 9.43 H new ATOM 0 HG3 ARG A 123 5.703 0.126 -17.386 1.00 9.43 H new ATOM 0 HD2 ARG A 123 8.328 0.827 -16.594 1.00 11.10 H new ATOM 0 HD3 ARG A 123 7.146 1.843 -16.557 1.00 11.10 H new ATOM 0 HE ARG A 123 7.528 -0.144 -14.758 1.00 10.85 H new ATOM 0 HH11 ARG A 123 5.406 2.233 -15.600 1.00 9.74 H new ATOM 0 HH12 ARG A 123 4.753 2.342 -14.266 1.00 9.74 H new ATOM 0 HH21 ARG A 123 6.557 0.057 -12.735 1.00 11.92 H new ATOM 0 HH22 ARG A 123 5.446 1.030 -12.537 1.00 11.92 H new ATOM 1947 N THR A 124 5.492 -0.903 -20.572 1.00 8.34 N ATOM 1948 CA THR A 124 5.447 -0.001 -21.706 1.00 7.52 C ATOM 1949 C THR A 124 4.957 1.411 -21.384 1.00 8.15 C ATOM 1950 O THR A 124 5.146 2.320 -22.192 1.00 10.44 O ATOM 1951 CB THR A 124 4.544 -0.558 -22.821 1.00 10.25 C ATOM 1952 OG1 THR A 124 3.198 -0.649 -22.323 1.00 10.03 O ATOM 1953 CG2 THR A 124 5.012 -1.950 -23.270 1.00 10.74 C ATOM 0 H THR A 124 4.716 -1.091 -20.252 1.00 8.34 H new ATOM 0 HA THR A 124 6.372 0.063 -21.990 1.00 7.52 H new ATOM 0 HB THR A 124 4.588 0.038 -23.585 1.00 10.25 H new ATOM 0 HG1 THR A 124 2.685 -0.205 -22.818 1.00 10.03 H new ATOM 0 HG21 THR A 124 4.428 -2.277 -23.971 1.00 10.74 H new ATOM 0 HG22 THR A 124 5.920 -1.893 -23.606 1.00 10.74 H new ATOM 0 HG23 THR A 124 4.984 -2.560 -22.516 1.00 10.74 H new ATOM 1961 N VAL A 125 4.354 1.598 -20.205 1.00 8.39 N ATOM 1962 CA VAL A 125 3.869 2.912 -19.764 1.00 8.88 C ATOM 1963 C VAL A 125 4.673 3.310 -18.550 1.00 8.18 C ATOM 1964 O VAL A 125 4.517 2.739 -17.465 1.00 8.85 O ATOM 1965 CB VAL A 125 2.369 2.890 -19.433 1.00 9.53 C ATOM 1966 CG1 VAL A 125 1.892 4.280 -19.066 1.00 10.25 C ATOM 1967 CG2 VAL A 125 1.559 2.335 -20.576 1.00 10.38 C ATOM 0 H VAL A 125 4.215 0.966 -19.638 1.00 8.39 H new ATOM 0 HA VAL A 125 3.982 3.555 -20.481 1.00 8.88 H new ATOM 0 HB VAL A 125 2.240 2.303 -18.671 1.00 9.53 H new ATOM 0 HG11 VAL A 125 0.945 4.253 -18.859 1.00 10.25 H new ATOM 0 HG12 VAL A 125 2.383 4.597 -18.291 1.00 10.25 H new ATOM 0 HG13 VAL A 125 2.043 4.882 -19.812 1.00 10.25 H new ATOM 0 HG21 VAL A 125 0.619 2.334 -20.336 1.00 10.38 H new ATOM 0 HG22 VAL A 125 1.691 2.885 -21.364 1.00 10.38 H new ATOM 0 HG23 VAL A 125 1.845 1.427 -20.765 1.00 10.38 H new ATOM 1977 N ASP A 126 5.533 4.294 -18.719 1.00 9.35 N ATOM 1978 CA ASP A 126 6.358 4.768 -17.619 1.00 9.11 C ATOM 1979 C ASP A 126 5.523 5.566 -16.624 1.00 9.28 C ATOM 1980 O ASP A 126 4.530 6.206 -16.995 1.00 9.92 O ATOM 1981 CB ASP A 126 7.486 5.644 -18.145 1.00 12.98 C ATOM 1982 CG ASP A 126 8.705 4.864 -18.463 1.00 22.41 C ATOM 1983 OD1 ASP A 126 8.562 3.648 -18.692 1.00 17.46 O ATOM 1984 OD2 ASP A 126 9.794 5.475 -18.457 1.00 24.95 O1- ATOM 0 H ASP A 126 5.658 4.705 -19.464 1.00 9.35 H new ATOM 0 HA ASP A 126 6.732 3.994 -17.169 1.00 9.11 H new ATOM 0 HB2 ASP A 126 7.186 6.110 -18.941 1.00 12.98 H new ATOM 0 HB3 ASP A 126 7.701 6.321 -17.485 1.00 12.98 H new ATOM 1989 N THR A 127 5.939 5.557 -15.367 1.00 9.04 N ATOM 1990 CA THR A 127 5.288 6.331 -14.331 1.00 9.10 C ATOM 1991 C THR A 127 5.154 7.794 -14.756 1.00 8.85 C ATOM 1992 O THR A 127 4.093 8.384 -14.569 1.00 8.11 O ATOM 1993 CB THR A 127 6.074 6.198 -13.017 1.00 9.40 C ATOM 1994 OG1 THR A 127 6.093 4.822 -12.615 1.00 10.65 O ATOM 1995 CG2 THR A 127 5.427 7.001 -11.925 1.00 14.10 C ATOM 0 H THR A 127 6.612 5.098 -15.092 1.00 9.04 H new ATOM 0 HA THR A 127 4.392 5.987 -14.189 1.00 9.10 H new ATOM 0 HB THR A 127 6.975 6.526 -13.165 1.00 9.40 H new ATOM 0 HG1 THR A 127 5.321 4.499 -12.683 1.00 10.65 H new ATOM 0 HG21 THR A 127 5.937 6.904 -11.106 1.00 14.10 H new ATOM 0 HG22 THR A 127 5.403 7.936 -12.182 1.00 14.10 H new ATOM 0 HG23 THR A 127 4.522 6.682 -11.781 1.00 14.10 H new ATOM 2003 N LYS A 128 6.194 8.390 -15.345 1.00 8.71 N ATOM 2004 CA LYS A 128 6.146 9.787 -15.764 1.00 9.84 C ATOM 2005 C LYS A 128 4.962 10.063 -16.699 1.00 8.59 C ATOM 2006 O LYS A 128 4.276 11.067 -16.550 1.00 8.98 O ATOM 2007 CB LYS A 128 7.470 10.214 -16.441 1.00 11.72 C ATOM 2008 CG LYS A 128 7.400 11.636 -17.057 1.00 14.07 C ATOM 2009 CD LYS A 128 8.528 11.918 -18.059 1.00 22.77 C ATOM 2010 CE LYS A 128 8.284 13.217 -18.879 1.00 19.92 C ATOM 2011 NZ LYS A 128 7.173 13.100 -19.903 1.00 20.15 N1+ ATOM 0 H LYS A 128 6.941 7.996 -15.511 1.00 8.71 H new ATOM 0 HA LYS A 128 6.023 10.317 -14.961 1.00 9.84 H new ATOM 0 HB2 LYS A 128 8.187 10.184 -15.788 1.00 11.72 H new ATOM 0 HB3 LYS A 128 7.693 9.576 -17.136 1.00 11.72 H new ATOM 0 HG2 LYS A 128 6.545 11.748 -17.502 1.00 14.07 H new ATOM 0 HG3 LYS A 128 7.437 12.293 -16.344 1.00 14.07 H new ATOM 0 HD2 LYS A 128 9.369 11.993 -17.582 1.00 22.77 H new ATOM 0 HD3 LYS A 128 8.613 11.166 -18.666 1.00 22.77 H new ATOM 0 HE2 LYS A 128 8.073 13.940 -18.267 1.00 19.92 H new ATOM 0 HE3 LYS A 128 9.106 13.461 -19.333 1.00 19.92 H new ATOM 0 HZ1 LYS A 128 7.259 13.746 -20.510 1.00 20.15 H new ATOM 0 HZ2 LYS A 128 7.222 12.307 -20.305 1.00 20.15 H new ATOM 0 HZ3 LYS A 128 6.385 13.178 -19.497 1.00 20.15 H new ATOM 2025 N GLN A 129 4.739 9.180 -17.658 1.00 7.92 N ATOM 2026 CA GLN A 129 3.699 9.348 -18.653 1.00 11.07 C ATOM 2027 C GLN A 129 2.325 9.342 -17.993 1.00 8.09 C ATOM 2028 O GLN A 129 1.442 10.149 -18.349 1.00 8.86 O ATOM 2029 CB GLN A 129 3.805 8.224 -19.694 1.00 11.00 C ATOM 2030 CG GLN A 129 5.122 8.232 -20.460 1.00 23.45 C ATOM 2031 CD GLN A 129 5.282 7.039 -21.390 1.00 32.88 C ATOM 2032 OE1 GLN A 129 5.611 5.926 -20.960 1.00 23.42 O ATOM 2033 NE2 GLN A 129 5.071 7.273 -22.681 1.00 44.61 N ATOM 0 H GLN A 129 5.195 8.456 -17.750 1.00 7.92 H new ATOM 0 HA GLN A 129 3.814 10.203 -19.096 1.00 11.07 H new ATOM 0 HB2 GLN A 129 3.703 7.369 -19.248 1.00 11.00 H new ATOM 0 HB3 GLN A 129 3.072 8.305 -20.324 1.00 11.00 H new ATOM 0 HG2 GLN A 129 5.183 9.049 -20.979 1.00 23.45 H new ATOM 0 HG3 GLN A 129 5.857 8.242 -19.827 1.00 23.45 H new ATOM 0 HE21 GLN A 129 4.843 8.060 -22.944 1.00 44.61 H new ATOM 0 HE22 GLN A 129 5.162 6.638 -23.254 1.00 44.61 H new ATOM 2042 N ALA A 130 2.149 8.463 -17.013 1.00 7.69 N ATOM 2043 CA ALA A 130 0.879 8.369 -16.295 1.00 7.29 C ATOM 2044 C ALA A 130 0.686 9.569 -15.384 1.00 9.04 C ATOM 2045 O ALA A 130 -0.424 10.094 -15.258 1.00 7.85 O ATOM 2046 CB ALA A 130 0.814 7.088 -15.540 1.00 10.10 C ATOM 0 H ALA A 130 2.752 7.911 -16.747 1.00 7.69 H new ATOM 0 HA ALA A 130 0.152 8.376 -16.937 1.00 7.29 H new ATOM 0 HB1 ALA A 130 -0.031 7.034 -15.067 1.00 10.10 H new ATOM 0 HB2 ALA A 130 0.887 6.344 -16.158 1.00 10.10 H new ATOM 0 HB3 ALA A 130 1.544 7.051 -14.902 1.00 10.10 H new ATOM 2052 N GLN A 131 1.761 9.999 -14.727 1.00 7.88 N ATOM 2053 CA GLN A 131 1.737 11.234 -13.948 1.00 7.65 C ATOM 2054 C GLN A 131 1.355 12.430 -14.810 1.00 9.96 C ATOM 2055 O GLN A 131 0.618 13.309 -14.377 1.00 9.53 O ATOM 2056 CB GLN A 131 3.091 11.521 -13.312 1.00 8.85 C ATOM 2057 CG GLN A 131 3.439 10.573 -12.193 1.00 9.22 C ATOM 2058 CD GLN A 131 4.875 10.715 -11.774 1.00 9.30 C ATOM 2059 OE1 GLN A 131 5.728 11.151 -12.561 1.00 10.62 O ATOM 2060 NE2 GLN A 131 5.159 10.348 -10.539 1.00 9.74 N ATOM 0 H GLN A 131 2.517 9.588 -14.720 1.00 7.88 H new ATOM 0 HA GLN A 131 1.071 11.104 -13.255 1.00 7.65 H new ATOM 0 HB2 GLN A 131 3.779 11.472 -13.994 1.00 8.85 H new ATOM 0 HB3 GLN A 131 3.095 12.429 -12.971 1.00 8.85 H new ATOM 0 HG2 GLN A 131 2.861 10.743 -11.433 1.00 9.22 H new ATOM 0 HG3 GLN A 131 3.273 9.661 -12.477 1.00 9.22 H new ATOM 0 HE21 GLN A 131 4.537 10.051 -10.025 1.00 9.74 H new ATOM 0 HE22 GLN A 131 5.966 10.406 -10.248 1.00 9.74 H new ATOM 2069 N ASP A 132 1.863 12.488 -16.028 1.00 8.26 N ATOM 2070 CA ASP A 132 1.558 13.601 -16.941 1.00 9.67 C ATOM 2071 C ASP A 132 0.055 13.628 -17.246 1.00 8.55 C ATOM 2072 O ASP A 132 -0.584 14.680 -17.251 1.00 9.08 O ATOM 2073 CB ASP A 132 2.329 13.447 -18.263 1.00 9.26 C ATOM 2074 CG ASP A 132 3.832 13.688 -18.130 1.00 12.39 C ATOM 2075 OD1 ASP A 132 4.274 14.269 -17.130 1.00 13.11 O ATOM 2076 OD2 ASP A 132 4.565 13.269 -19.060 1.00 15.99 O1- ATOM 0 H ASP A 132 2.391 11.894 -16.356 1.00 8.26 H new ATOM 0 HA ASP A 132 1.825 14.428 -16.510 1.00 9.67 H new ATOM 0 HB2 ASP A 132 2.182 12.554 -18.611 1.00 9.26 H new ATOM 0 HB3 ASP A 132 1.966 14.068 -18.914 1.00 9.26 H new ATOM 2081 N LEU A 133 -0.522 12.455 -17.487 1.00 8.09 N ATOM 2082 CA LEU A 133 -1.952 12.363 -17.774 1.00 7.18 C ATOM 2083 C LEU A 133 -2.789 12.747 -16.557 1.00 7.74 C ATOM 2084 O LEU A 133 -3.721 13.558 -16.647 1.00 7.27 O ATOM 2085 CB LEU A 133 -2.333 10.963 -18.262 1.00 8.08 C ATOM 2086 CG LEU A 133 -3.797 10.796 -18.682 1.00 8.41 C ATOM 2087 CD1 LEU A 133 -4.138 11.735 -19.853 1.00 9.83 C ATOM 2088 CD2 LEU A 133 -4.050 9.348 -19.045 1.00 8.46 C ATOM 0 H LEU A 133 -0.106 11.702 -17.489 1.00 8.09 H new ATOM 0 HA LEU A 133 -2.143 12.995 -18.485 1.00 7.18 H new ATOM 0 HB2 LEU A 133 -1.767 10.733 -19.015 1.00 8.08 H new ATOM 0 HB3 LEU A 133 -2.139 10.326 -17.557 1.00 8.08 H new ATOM 0 HG LEU A 133 -4.375 11.038 -17.941 1.00 8.41 H new ATOM 0 HD11 LEU A 133 -5.067 11.615 -20.104 1.00 9.83 H new ATOM 0 HD12 LEU A 133 -3.993 12.655 -19.583 1.00 9.83 H new ATOM 0 HD13 LEU A 133 -3.569 11.527 -20.611 1.00 9.83 H new ATOM 0 HD21 LEU A 133 -4.976 9.238 -19.312 1.00 8.46 H new ATOM 0 HD22 LEU A 133 -3.470 9.092 -19.779 1.00 8.46 H new ATOM 0 HD23 LEU A 133 -3.866 8.785 -18.277 1.00 8.46 H new ATOM 2100 N ALA A 134 -2.455 12.187 -15.399 1.00 7.45 N ATOM 2101 CA ALA A 134 -3.193 12.503 -14.170 1.00 8.40 C ATOM 2102 C ALA A 134 -3.095 13.996 -13.848 1.00 8.16 C ATOM 2103 O ALA A 134 -4.073 14.598 -13.386 1.00 8.52 O ATOM 2104 CB ALA A 134 -2.679 11.683 -13.007 1.00 7.06 C ATOM 0 H ALA A 134 -1.811 11.626 -15.299 1.00 7.45 H new ATOM 0 HA ALA A 134 -4.125 12.278 -14.316 1.00 8.40 H new ATOM 0 HB1 ALA A 134 -3.179 11.907 -12.207 1.00 7.06 H new ATOM 0 HB2 ALA A 134 -2.789 10.739 -13.203 1.00 7.06 H new ATOM 0 HB3 ALA A 134 -1.739 11.876 -12.865 1.00 7.06 H new ATOM 2110 N ARG A 135 -1.924 14.591 -14.046 1.00 7.51 N ATOM 2111 CA ARG A 135 -1.749 16.037 -13.866 1.00 7.52 C ATOM 2112 C ARG A 135 -2.724 16.808 -14.745 1.00 10.22 C ATOM 2113 O ARG A 135 -3.380 17.746 -14.278 1.00 9.36 O ATOM 2114 CB ARG A 135 -0.305 16.461 -14.188 1.00 8.81 C ATOM 2115 CG ARG A 135 -0.059 17.981 -14.048 1.00 10.70 C ATOM 2116 CD ARG A 135 1.388 18.367 -14.383 1.00 10.12 C ATOM 2117 NE ARG A 135 1.691 18.131 -15.787 1.00 11.42 N ATOM 2118 CZ ARG A 135 2.534 17.220 -16.257 1.00 11.48 C ATOM 2119 NH1 ARG A 135 3.247 16.437 -15.457 1.00 11.81 N ATOM 2120 NH2 ARG A 135 2.661 17.094 -17.570 1.00 12.99 N1+ ATOM 0 H ARG A 135 -1.211 14.176 -14.287 1.00 7.51 H new ATOM 0 HA ARG A 135 -1.932 16.245 -12.936 1.00 7.52 H new ATOM 0 HB2 ARG A 135 0.302 15.987 -13.598 1.00 8.81 H new ATOM 0 HB3 ARG A 135 -0.091 16.189 -15.094 1.00 8.81 H new ATOM 0 HG2 ARG A 135 -0.664 18.460 -14.635 1.00 10.70 H new ATOM 0 HG3 ARG A 135 -0.264 18.258 -13.141 1.00 10.70 H new ATOM 0 HD2 ARG A 135 1.532 19.303 -14.173 1.00 10.12 H new ATOM 0 HD3 ARG A 135 1.997 17.855 -13.829 1.00 10.12 H new ATOM 0 HE ARG A 135 1.288 18.626 -16.363 1.00 11.42 H new ATOM 0 HH11 ARG A 135 3.171 16.511 -14.604 1.00 11.81 H new ATOM 0 HH12 ARG A 135 3.785 15.856 -15.792 1.00 11.81 H new ATOM 0 HH21 ARG A 135 2.203 17.596 -18.097 1.00 12.99 H new ATOM 0 HH22 ARG A 135 3.202 16.510 -17.896 1.00 12.99 H new ATOM 2134 N SER A 136 -2.846 16.407 -16.007 1.00 8.10 N ATOM 2135 CA SER A 136 -3.771 17.072 -16.932 1.00 7.47 C ATOM 2136 C SER A 136 -5.231 16.959 -16.482 1.00 9.40 C ATOM 2137 O SER A 136 -6.058 17.828 -16.786 1.00 10.67 O ATOM 2138 CB SER A 136 -3.603 16.535 -18.355 1.00 8.98 C ATOM 2139 OG SER A 136 -4.292 15.332 -18.574 1.00 8.38 O ATOM 0 H SER A 136 -2.405 15.754 -16.350 1.00 8.10 H new ATOM 0 HA SER A 136 -3.542 18.015 -16.926 1.00 7.47 H new ATOM 0 HB2 SER A 136 -3.918 17.201 -18.986 1.00 8.98 H new ATOM 0 HB3 SER A 136 -2.660 16.398 -18.534 1.00 8.98 H new ATOM 0 HG SER A 136 -4.103 14.786 -17.964 1.00 8.38 H new ATOM 2145 N TYR A 137 -5.570 15.880 -15.786 1.00 7.59 N ATOM 2146 CA TYR A 137 -6.922 15.661 -15.318 1.00 7.24 C ATOM 2147 C TYR A 137 -7.173 16.270 -13.936 1.00 8.61 C ATOM 2148 O TYR A 137 -8.335 16.432 -13.561 1.00 11.33 O ATOM 2149 CB TYR A 137 -7.167 14.174 -15.197 1.00 8.59 C ATOM 2150 CG TYR A 137 -7.260 13.390 -16.471 1.00 8.86 C ATOM 2151 CD1 TYR A 137 -7.463 13.997 -17.704 1.00 9.45 C ATOM 2152 CD2 TYR A 137 -7.193 12.007 -16.426 1.00 9.12 C ATOM 2153 CE1 TYR A 137 -7.592 13.233 -18.860 1.00 8.92 C ATOM 2154 CE2 TYR A 137 -7.322 11.252 -17.557 1.00 10.07 C ATOM 2155 CZ TYR A 137 -7.534 11.863 -18.770 1.00 8.19 C ATOM 2156 OH TYR A 137 -7.676 11.072 -19.879 1.00 9.49 O ATOM 0 H TYR A 137 -5.018 15.256 -15.574 1.00 7.59 H new ATOM 0 HA TYR A 137 -7.514 16.084 -15.960 1.00 7.24 H new ATOM 0 HB2 TYR A 137 -6.453 13.794 -14.662 1.00 8.59 H new ATOM 0 HB3 TYR A 137 -7.992 14.044 -14.703 1.00 8.59 H new ATOM 0 HD1 TYR A 137 -7.513 14.924 -17.757 1.00 9.45 H new ATOM 0 HD2 TYR A 137 -7.057 11.584 -15.609 1.00 9.12 H new ATOM 0 HE1 TYR A 137 -7.716 13.645 -19.684 1.00 8.92 H new ATOM 0 HE2 TYR A 137 -7.266 10.325 -17.506 1.00 10.07 H new ATOM 0 HH TYR A 137 -7.416 10.293 -19.703 1.00 9.49 H new ATOM 2166 N GLY A 138 -6.118 16.542 -13.182 1.00 7.41 N ATOM 2167 CA GLY A 138 -6.253 16.929 -11.788 1.00 8.12 C ATOM 2168 C GLY A 138 -6.889 15.841 -10.941 1.00 8.14 C ATOM 2169 O GLY A 138 -7.801 16.110 -10.175 1.00 7.82 O ATOM 0 H GLY A 138 -5.306 16.508 -13.463 1.00 7.41 H new ATOM 0 HA2 GLY A 138 -5.378 17.144 -11.429 1.00 8.12 H new ATOM 0 HA3 GLY A 138 -6.789 17.735 -11.730 1.00 8.12 H new ATOM 2173 N ILE A 139 -6.379 14.615 -11.066 1.00 6.60 N ATOM 2174 CA ILE A 139 -6.829 13.499 -10.238 1.00 6.78 C ATOM 2175 C ILE A 139 -5.619 12.721 -9.731 1.00 6.97 C ATOM 2176 O ILE A 139 -4.529 12.795 -10.340 1.00 7.09 O ATOM 2177 CB ILE A 139 -7.761 12.540 -11.023 1.00 6.58 C ATOM 2178 CG1 ILE A 139 -7.017 11.759 -12.118 1.00 6.28 C ATOM 2179 CG2 ILE A 139 -8.980 13.318 -11.574 1.00 6.40 C ATOM 2180 CD1 ILE A 139 -7.900 10.784 -12.875 1.00 8.07 C ATOM 0 H ILE A 139 -5.765 14.409 -11.632 1.00 6.60 H new ATOM 0 HA ILE A 139 -7.332 13.865 -9.494 1.00 6.78 H new ATOM 0 HB ILE A 139 -8.088 11.867 -10.406 1.00 6.58 H new ATOM 0 HG12 ILE A 139 -6.629 12.388 -12.747 1.00 6.28 H new ATOM 0 HG13 ILE A 139 -6.282 11.272 -11.714 1.00 6.28 H new ATOM 0 HG21 ILE A 139 -9.557 12.711 -12.063 1.00 6.40 H new ATOM 0 HG22 ILE A 139 -9.474 13.710 -10.837 1.00 6.40 H new ATOM 0 HG23 ILE A 139 -8.674 14.021 -12.168 1.00 6.40 H new ATOM 0 HD11 ILE A 139 -7.373 10.326 -13.548 1.00 8.07 H new ATOM 0 HD12 ILE A 139 -8.270 10.135 -12.257 1.00 8.07 H new ATOM 0 HD13 ILE A 139 -8.622 11.268 -13.305 1.00 8.07 H new ATOM 2192 N PRO A 140 -5.799 11.952 -8.647 1.00 6.27 N ATOM 2193 CA PRO A 140 -4.680 11.144 -8.175 1.00 6.98 C ATOM 2194 C PRO A 140 -4.328 10.015 -9.122 1.00 6.51 C ATOM 2195 O PRO A 140 -5.177 9.528 -9.851 1.00 6.64 O ATOM 2196 CB PRO A 140 -5.205 10.569 -6.857 1.00 8.07 C ATOM 2197 CG PRO A 140 -6.294 11.550 -6.409 1.00 7.34 C ATOM 2198 CD PRO A 140 -6.938 11.901 -7.714 1.00 5.94 C ATOM 0 HA PRO A 140 -3.868 11.668 -8.094 1.00 6.98 H new ATOM 0 HB2 PRO A 140 -5.564 9.676 -6.980 1.00 8.07 H new ATOM 0 HB3 PRO A 140 -4.498 10.501 -6.196 1.00 8.07 H new ATOM 0 HG2 PRO A 140 -6.921 11.142 -5.791 1.00 7.34 H new ATOM 0 HG3 PRO A 140 -5.923 12.328 -5.964 1.00 7.34 H new ATOM 0 HD2 PRO A 140 -7.591 11.236 -7.982 1.00 5.94 H new ATOM 0 HD3 PRO A 140 -7.402 12.752 -7.668 1.00 5.94 H new ATOM 2206 N PHE A 141 -3.072 9.594 -9.078 1.00 6.14 N ATOM 2207 CA PHE A 141 -2.571 8.442 -9.840 1.00 5.93 C ATOM 2208 C PHE A 141 -1.839 7.514 -8.891 1.00 5.34 C ATOM 2209 O PHE A 141 -0.969 7.963 -8.146 1.00 6.80 O ATOM 2210 CB PHE A 141 -1.651 8.874 -10.980 1.00 6.76 C ATOM 2211 CG PHE A 141 -0.817 7.759 -11.540 1.00 7.69 C ATOM 2212 CD1 PHE A 141 -1.395 6.624 -12.050 1.00 7.15 C ATOM 2213 CD2 PHE A 141 0.553 7.842 -11.536 1.00 9.10 C ATOM 2214 CE1 PHE A 141 -0.604 5.594 -12.553 1.00 7.52 C ATOM 2215 CE2 PHE A 141 1.338 6.823 -12.055 1.00 11.40 C ATOM 2216 CZ PHE A 141 0.759 5.706 -12.544 1.00 10.75 C ATOM 0 H PHE A 141 -2.469 9.973 -8.596 1.00 6.14 H new ATOM 0 HA PHE A 141 -3.324 7.982 -10.243 1.00 5.93 H new ATOM 0 HB2 PHE A 141 -2.189 9.254 -11.692 1.00 6.76 H new ATOM 0 HB3 PHE A 141 -1.064 9.578 -10.662 1.00 6.76 H new ATOM 0 HD1 PHE A 141 -2.321 6.542 -12.060 1.00 7.15 H new ATOM 0 HD2 PHE A 141 0.963 8.596 -11.178 1.00 9.10 H new ATOM 0 HE1 PHE A 141 -1.004 4.828 -12.896 1.00 7.52 H new ATOM 0 HE2 PHE A 141 2.264 6.909 -12.066 1.00 11.40 H new ATOM 0 HZ PHE A 141 1.286 5.014 -12.874 1.00 10.75 H new ATOM 2226 N ILE A 142 -2.204 6.236 -8.919 1.00 6.35 N ATOM 2227 CA ILE A 142 -1.621 5.211 -8.058 1.00 6.48 C ATOM 2228 C ILE A 142 -1.245 3.977 -8.906 1.00 7.69 C ATOM 2229 O ILE A 142 -2.073 3.513 -9.693 1.00 7.60 O ATOM 2230 CB ILE A 142 -2.604 4.806 -6.943 1.00 7.60 C ATOM 2231 CG1 ILE A 142 -2.891 5.996 -6.021 1.00 8.82 C ATOM 2232 CG2 ILE A 142 -2.085 3.623 -6.140 1.00 8.55 C ATOM 2233 CD1 ILE A 142 -4.169 5.806 -5.254 1.00 8.16 C ATOM 0 H ILE A 142 -2.810 5.934 -9.450 1.00 6.35 H new ATOM 0 HA ILE A 142 -0.824 5.573 -7.641 1.00 6.48 H new ATOM 0 HB ILE A 142 -3.432 4.532 -7.367 1.00 7.60 H new ATOM 0 HG12 ILE A 142 -2.154 6.110 -5.400 1.00 8.82 H new ATOM 0 HG13 ILE A 142 -2.947 6.808 -6.548 1.00 8.82 H new ATOM 0 HG21 ILE A 142 -2.726 3.395 -5.449 1.00 8.55 H new ATOM 0 HG22 ILE A 142 -1.960 2.862 -6.728 1.00 8.55 H new ATOM 0 HG23 ILE A 142 -1.238 3.857 -5.730 1.00 8.55 H new ATOM 0 HD11 ILE A 142 -4.321 6.575 -4.682 1.00 8.16 H new ATOM 0 HD12 ILE A 142 -4.909 5.715 -5.875 1.00 8.16 H new ATOM 0 HD13 ILE A 142 -4.104 5.006 -4.709 1.00 8.16 H new ATOM 2245 N GLU A 143 -0.020 3.466 -8.770 1.00 7.13 N ATOM 2246 CA GLU A 143 0.365 2.189 -9.371 1.00 7.29 C ATOM 2247 C GLU A 143 0.058 1.081 -8.394 1.00 7.25 C ATOM 2248 O GLU A 143 0.383 1.169 -7.199 1.00 9.42 O ATOM 2249 CB GLU A 143 1.857 2.174 -9.759 1.00 9.83 C ATOM 2250 CG GLU A 143 2.141 3.045 -10.968 1.00 10.47 C ATOM 2251 CD GLU A 143 3.486 2.797 -11.651 1.00 11.16 C ATOM 2252 OE1 GLU A 143 4.293 2.003 -11.126 1.00 13.47 O ATOM 2253 OE2 GLU A 143 3.732 3.429 -12.710 1.00 10.93 O1- ATOM 0 H GLU A 143 0.610 3.850 -8.327 1.00 7.13 H new ATOM 0 HA GLU A 143 -0.142 2.059 -10.187 1.00 7.29 H new ATOM 0 HB2 GLU A 143 2.388 2.482 -9.008 1.00 9.83 H new ATOM 0 HB3 GLU A 143 2.132 1.263 -9.946 1.00 9.83 H new ATOM 0 HG2 GLU A 143 1.435 2.909 -11.619 1.00 10.47 H new ATOM 0 HG3 GLU A 143 2.100 3.975 -10.695 1.00 10.47 H new ATOM 2260 N THR A 144 -0.598 0.047 -8.890 1.00 6.67 N ATOM 2261 CA THR A 144 -1.041 -1.072 -8.082 1.00 7.08 C ATOM 2262 C THR A 144 -0.514 -2.411 -8.583 1.00 7.34 C ATOM 2263 O THR A 144 -0.147 -2.547 -9.747 1.00 8.13 O ATOM 2264 CB THR A 144 -2.582 -1.171 -8.047 1.00 7.46 C ATOM 2265 OG1 THR A 144 -3.103 -1.355 -9.370 1.00 7.65 O ATOM 2266 CG2 THR A 144 -3.175 0.083 -7.487 1.00 7.68 C ATOM 0 H THR A 144 -0.802 -0.025 -9.722 1.00 6.67 H new ATOM 0 HA THR A 144 -0.686 -0.897 -7.196 1.00 7.08 H new ATOM 0 HB THR A 144 -2.815 -1.929 -7.488 1.00 7.46 H new ATOM 0 HG1 THR A 144 -3.033 -2.163 -9.589 1.00 7.65 H new ATOM 0 HG21 THR A 144 -4.142 0.005 -7.472 1.00 7.68 H new ATOM 0 HG22 THR A 144 -2.848 0.221 -6.584 1.00 7.68 H new ATOM 0 HG23 THR A 144 -2.921 0.837 -8.041 1.00 7.68 H new ATOM 2274 N SER A 145 -0.521 -3.392 -7.677 1.00 7.31 N ATOM 2275 CA SER A 145 -0.428 -4.804 -8.046 1.00 7.08 C ATOM 2276 C SER A 145 -1.557 -5.553 -7.370 1.00 7.94 C ATOM 2277 O SER A 145 -1.552 -5.702 -6.140 1.00 8.76 O ATOM 2278 CB SER A 145 0.893 -5.418 -7.632 1.00 9.07 C ATOM 2279 OG SER A 145 0.866 -6.818 -7.913 1.00 8.90 O ATOM 0 H SER A 145 -0.580 -3.255 -6.830 1.00 7.31 H new ATOM 0 HA SER A 145 -0.491 -4.869 -9.012 1.00 7.08 H new ATOM 0 HB2 SER A 145 1.623 -4.995 -8.110 1.00 9.07 H new ATOM 0 HB3 SER A 145 1.049 -5.269 -6.686 1.00 9.07 H new ATOM 0 HG SER A 145 1.206 -6.959 -8.668 1.00 8.90 H new ATOM 2285 N ALA A 146 -2.524 -6.025 -8.140 1.00 7.20 N ATOM 2286 CA ALA A 146 -3.542 -6.895 -7.588 1.00 8.09 C ATOM 2287 C ALA A 146 -2.915 -8.197 -7.094 1.00 9.87 C ATOM 2288 O ALA A 146 -3.486 -8.875 -6.226 1.00 10.42 O ATOM 2289 CB ALA A 146 -4.614 -7.171 -8.619 1.00 8.90 C ATOM 0 H ALA A 146 -2.608 -5.854 -8.979 1.00 7.20 H new ATOM 0 HA ALA A 146 -3.956 -6.451 -6.832 1.00 8.09 H new ATOM 0 HB1 ALA A 146 -5.288 -7.754 -8.237 1.00 8.90 H new ATOM 0 HB2 ALA A 146 -5.025 -6.335 -8.890 1.00 8.90 H new ATOM 0 HB3 ALA A 146 -4.216 -7.601 -9.392 1.00 8.90 H new ATOM 2295 N LYS A 147 -1.751 -8.565 -7.623 1.00 9.31 N ATOM 2296 CA LYS A 147 -1.108 -9.811 -7.203 1.00 10.06 C ATOM 2297 C LYS A 147 -0.529 -9.690 -5.796 1.00 10.90 C ATOM 2298 O LYS A 147 -0.788 -10.555 -4.962 1.00 12.64 O ATOM 2299 CB LYS A 147 -0.017 -10.212 -8.201 1.00 10.21 C ATOM 2300 CG LYS A 147 0.719 -11.530 -7.822 1.00 11.60 C ATOM 2301 CD LYS A 147 1.569 -12.010 -8.975 1.00 13.33 C ATOM 2302 CE LYS A 147 2.170 -13.360 -8.660 1.00 20.06 C ATOM 2303 NZ LYS A 147 3.018 -13.825 -9.797 1.00 22.17 N1+ ATOM 0 H LYS A 147 -1.321 -8.116 -8.218 1.00 9.31 H new ATOM 0 HA LYS A 147 -1.785 -10.505 -7.186 1.00 10.06 H new ATOM 0 HB2 LYS A 147 -0.415 -10.314 -9.080 1.00 10.21 H new ATOM 0 HB3 LYS A 147 0.632 -9.494 -8.265 1.00 10.21 H new ATOM 0 HG2 LYS A 147 1.276 -11.383 -7.041 1.00 11.60 H new ATOM 0 HG3 LYS A 147 0.071 -12.212 -7.584 1.00 11.60 H new ATOM 0 HD2 LYS A 147 1.030 -12.069 -9.779 1.00 13.33 H new ATOM 0 HD3 LYS A 147 2.275 -11.369 -9.153 1.00 13.33 H new ATOM 0 HE2 LYS A 147 2.704 -13.303 -7.852 1.00 20.06 H new ATOM 0 HE3 LYS A 147 1.465 -14.004 -8.490 1.00 20.06 H new ATOM 0 HZ1 LYS A 147 3.469 -14.553 -9.553 1.00 22.17 H new ATOM 0 HZ2 LYS A 147 2.500 -14.017 -10.495 1.00 22.17 H new ATOM 0 HZ3 LYS A 147 3.591 -13.183 -10.022 1.00 22.17 H new ATOM 2317 N THR A 148 0.220 -8.646 -5.497 1.00 10.12 N ATOM 2318 CA THR A 148 0.867 -8.492 -4.196 1.00 11.17 C ATOM 2319 C THR A 148 0.087 -7.646 -3.185 1.00 12.00 C ATOM 2320 O THR A 148 0.431 -7.604 -2.064 1.00 13.55 O ATOM 2321 CB THR A 148 2.211 -7.805 -4.348 1.00 12.39 C ATOM 2322 OG1 THR A 148 1.978 -6.446 -4.706 1.00 11.34 O ATOM 2323 CG2 THR A 148 3.128 -8.507 -5.361 1.00 13.26 C ATOM 0 H THR A 148 0.372 -7.999 -6.043 1.00 10.12 H new ATOM 0 HA THR A 148 0.934 -9.400 -3.862 1.00 11.17 H new ATOM 0 HB THR A 148 2.683 -7.851 -3.502 1.00 12.39 H new ATOM 0 HG1 THR A 148 2.713 -6.049 -4.793 1.00 11.34 H new ATOM 0 HG21 THR A 148 3.970 -8.030 -5.420 1.00 13.26 H new ATOM 0 HG22 THR A 148 3.293 -9.418 -5.072 1.00 13.26 H new ATOM 0 HG23 THR A 148 2.701 -8.517 -6.232 1.00 13.26 H new ATOM 2331 N ARG A 149 -0.956 -6.992 -3.678 1.00 11.12 N ATOM 2332 CA ARG A 149 -1.852 -6.077 -2.973 1.00 9.54 C ATOM 2333 C ARG A 149 -1.317 -4.643 -2.793 1.00 8.98 C ATOM 2334 O ARG A 149 -1.963 -3.841 -2.300 1.00 9.29 O ATOM 2335 CB ARG A 149 -2.383 -6.690 -1.645 1.00 11.36 C ATOM 2336 CG ARG A 149 -3.826 -6.284 -1.370 1.00 14.72 C ATOM 2337 CD ARG A 149 -4.583 -7.147 -0.343 1.00 16.07 C ATOM 2338 NE ARG A 149 -5.942 -6.681 -0.110 1.00 16.13 N ATOM 2339 CZ ARG A 149 -6.238 -5.577 0.518 1.00 14.98 C ATOM 2340 NH1 ARG A 149 -5.291 -4.867 1.012 1.00 14.28 N ATOM 2341 NH2 ARG A 149 -7.474 -5.168 0.656 1.00 15.27 N1+ ATOM 0 H ARG A 149 -1.179 -7.078 -4.504 1.00 11.12 H new ATOM 0 HA ARG A 149 -2.609 -5.968 -3.570 1.00 9.54 H new ATOM 0 HB2 ARG A 149 -2.322 -7.657 -1.688 1.00 11.36 H new ATOM 0 HB3 ARG A 149 -1.820 -6.403 -0.909 1.00 11.36 H new ATOM 0 HG2 ARG A 149 -3.832 -5.365 -1.061 1.00 14.72 H new ATOM 0 HG3 ARG A 149 -4.315 -6.305 -2.207 1.00 14.72 H new ATOM 0 HD2 ARG A 149 -4.609 -8.065 -0.654 1.00 16.07 H new ATOM 0 HD3 ARG A 149 -4.096 -7.146 0.496 1.00 16.07 H new ATOM 0 HE ARG A 149 -6.590 -7.164 -0.405 1.00 16.13 H new ATOM 0 HH11 ARG A 149 -4.474 -5.121 0.927 1.00 14.28 H new ATOM 0 HH12 ARG A 149 -5.473 -4.137 1.428 1.00 14.28 H new ATOM 0 HH21 ARG A 149 -8.120 -5.632 0.328 1.00 15.27 H new ATOM 0 HH22 ARG A 149 -7.640 -4.436 1.075 1.00 15.27 H new ATOM 2355 N GLN A 150 -0.120 -4.385 -3.261 1.00 8.90 N ATOM 2356 CA GLN A 150 0.446 -3.060 -3.225 1.00 8.77 C ATOM 2357 C GLN A 150 -0.440 -2.031 -3.906 1.00 9.04 C ATOM 2358 O GLN A 150 -0.826 -2.177 -5.019 1.00 8.60 O ATOM 2359 CB GLN A 150 1.844 -3.042 -3.838 1.00 12.32 C ATOM 2360 CG GLN A 150 2.587 -1.744 -3.688 1.00 14.54 C ATOM 2361 CD GLN A 150 4.056 -1.886 -3.935 1.00 18.19 C ATOM 2362 OE1 GLN A 150 4.762 -2.495 -3.184 1.00 20.68 O ATOM 2363 NE2 GLN A 150 4.484 -1.361 -5.022 1.00 19.02 N ATOM 0 H GLN A 150 0.394 -4.979 -3.612 1.00 8.90 H new ATOM 0 HA GLN A 150 0.510 -2.814 -2.289 1.00 8.77 H new ATOM 0 HB2 GLN A 150 2.370 -3.749 -3.432 1.00 12.32 H new ATOM 0 HB3 GLN A 150 1.771 -3.250 -4.783 1.00 12.32 H new ATOM 0 HG2 GLN A 150 2.221 -1.093 -4.307 1.00 14.54 H new ATOM 0 HG3 GLN A 150 2.446 -1.396 -2.794 1.00 14.54 H new ATOM 0 HE21 GLN A 150 3.943 -0.931 -5.534 1.00 19.02 H new ATOM 0 HE22 GLN A 150 5.312 -1.438 -5.240 1.00 19.02 H new ATOM 2372 N GLY A 151 -0.748 -0.983 -3.148 1.00 8.51 N ATOM 2373 CA GLY A 151 -1.547 0.119 -3.660 1.00 7.09 C ATOM 2374 C GLY A 151 -3.053 -0.090 -3.735 1.00 7.24 C ATOM 2375 O GLY A 151 -3.786 0.834 -4.076 1.00 7.05 O ATOM 0 H GLY A 151 -0.501 -0.893 -2.329 1.00 8.51 H new ATOM 0 HA2 GLY A 151 -1.379 0.896 -3.104 1.00 7.09 H new ATOM 0 HA3 GLY A 151 -1.228 0.333 -4.551 1.00 7.09 H new ATOM 2379 N VAL A 152 -3.532 -1.287 -3.411 1.00 7.37 N ATOM 2380 CA VAL A 152 -4.942 -1.620 -3.649 1.00 6.81 C ATOM 2381 C VAL A 152 -5.867 -0.837 -2.726 1.00 7.89 C ATOM 2382 O VAL A 152 -6.823 -0.188 -3.190 1.00 7.17 O ATOM 2383 CB VAL A 152 -5.198 -3.142 -3.553 1.00 8.06 C ATOM 2384 CG1 VAL A 152 -6.694 -3.444 -3.625 1.00 10.34 C ATOM 2385 CG2 VAL A 152 -4.467 -3.871 -4.671 1.00 8.91 C ATOM 0 H VAL A 152 -3.067 -1.917 -3.056 1.00 7.37 H new ATOM 0 HA VAL A 152 -5.148 -1.353 -4.559 1.00 6.81 H new ATOM 0 HB VAL A 152 -4.861 -3.453 -2.699 1.00 8.06 H new ATOM 0 HG11 VAL A 152 -6.834 -4.402 -3.563 1.00 10.34 H new ATOM 0 HG12 VAL A 152 -7.149 -3.003 -2.891 1.00 10.34 H new ATOM 0 HG13 VAL A 152 -7.050 -3.119 -4.467 1.00 10.34 H new ATOM 0 HG21 VAL A 152 -4.635 -4.824 -4.600 1.00 8.91 H new ATOM 0 HG22 VAL A 152 -4.785 -3.550 -5.529 1.00 8.91 H new ATOM 0 HG23 VAL A 152 -3.514 -3.705 -4.597 1.00 8.91 H new ATOM 2395 N ASP A 153 -5.615 -0.872 -1.417 1.00 7.80 N ATOM 2396 CA ASP A 153 -6.470 -0.109 -0.507 1.00 7.25 C ATOM 2397 C ASP A 153 -6.331 1.383 -0.833 1.00 7.06 C ATOM 2398 O ASP A 153 -7.294 2.144 -0.818 1.00 7.44 O ATOM 2399 CB ASP A 153 -6.129 -0.396 0.957 1.00 7.43 C ATOM 2400 CG ASP A 153 -6.663 -1.735 1.430 1.00 11.00 C ATOM 2401 OD1 ASP A 153 -7.616 -2.295 0.834 1.00 12.28 O ATOM 2402 OD2 ASP A 153 -6.131 -2.206 2.463 1.00 13.35 O1- ATOM 0 H ASP A 153 -4.978 -1.314 -1.046 1.00 7.80 H new ATOM 0 HA ASP A 153 -7.393 -0.380 -0.633 1.00 7.25 H new ATOM 0 HB2 ASP A 153 -5.166 -0.378 1.071 1.00 7.43 H new ATOM 0 HB3 ASP A 153 -6.494 0.309 1.515 1.00 7.43 H new ATOM 2407 N ASP A 154 -5.123 1.820 -1.155 1.00 6.37 N ATOM 2408 CA ASP A 154 -4.908 3.230 -1.504 1.00 6.97 C ATOM 2409 C ASP A 154 -5.786 3.649 -2.681 1.00 6.42 C ATOM 2410 O ASP A 154 -6.411 4.694 -2.643 1.00 6.77 O ATOM 2411 CB ASP A 154 -3.430 3.455 -1.834 1.00 7.40 C ATOM 2412 CG ASP A 154 -3.041 4.921 -2.011 1.00 8.81 C ATOM 2413 OD1 ASP A 154 -3.713 5.831 -1.477 1.00 9.12 O ATOM 2414 OD2 ASP A 154 -1.996 5.143 -2.670 1.00 8.53 O1- ATOM 0 H ASP A 154 -4.418 1.329 -1.180 1.00 6.37 H new ATOM 0 HA ASP A 154 -5.156 3.778 -0.743 1.00 6.97 H new ATOM 0 HB2 ASP A 154 -2.889 3.071 -1.126 1.00 7.40 H new ATOM 0 HB3 ASP A 154 -3.214 2.974 -2.648 1.00 7.40 H new ATOM 2419 N ALA A 155 -5.836 2.828 -3.720 1.00 6.25 N ATOM 2420 CA ALA A 155 -6.607 3.182 -4.888 1.00 6.69 C ATOM 2421 C ALA A 155 -8.081 3.373 -4.531 1.00 5.85 C ATOM 2422 O ALA A 155 -8.683 4.384 -4.871 1.00 7.34 O ATOM 2423 CB ALA A 155 -6.447 2.125 -5.945 1.00 7.15 C ATOM 0 H ALA A 155 -5.433 2.069 -3.765 1.00 6.25 H new ATOM 0 HA ALA A 155 -6.276 4.025 -5.236 1.00 6.69 H new ATOM 0 HB1 ALA A 155 -6.967 2.368 -6.727 1.00 7.15 H new ATOM 0 HB2 ALA A 155 -5.511 2.051 -6.190 1.00 7.15 H new ATOM 0 HB3 ALA A 155 -6.759 1.273 -5.601 1.00 7.15 H new ATOM 2429 N PHE A 156 -8.660 2.411 -3.829 1.00 6.85 N ATOM 2430 CA PHE A 156 -10.084 2.500 -3.519 1.00 6.55 C ATOM 2431 C PHE A 156 -10.372 3.565 -2.459 1.00 7.18 C ATOM 2432 O PHE A 156 -11.360 4.292 -2.557 1.00 6.95 O ATOM 2433 CB PHE A 156 -10.647 1.132 -3.116 1.00 7.20 C ATOM 2434 CG PHE A 156 -10.797 0.161 -4.268 1.00 6.95 C ATOM 2435 CD1 PHE A 156 -9.760 -0.690 -4.641 1.00 6.86 C ATOM 2436 CD2 PHE A 156 -11.967 0.110 -4.985 1.00 8.64 C ATOM 2437 CE1 PHE A 156 -9.905 -1.566 -5.694 1.00 7.84 C ATOM 2438 CE2 PHE A 156 -12.128 -0.787 -6.041 1.00 9.85 C ATOM 2439 CZ PHE A 156 -11.105 -1.607 -6.391 1.00 8.32 C ATOM 0 H PHE A 156 -8.260 1.712 -3.527 1.00 6.85 H new ATOM 0 HA PHE A 156 -10.541 2.780 -4.328 1.00 6.55 H new ATOM 0 HB2 PHE A 156 -10.065 0.738 -2.447 1.00 7.20 H new ATOM 0 HB3 PHE A 156 -11.513 1.260 -2.699 1.00 7.20 H new ATOM 0 HD1 PHE A 156 -8.957 -0.667 -4.172 1.00 6.86 H new ATOM 0 HD2 PHE A 156 -12.664 0.684 -4.763 1.00 8.64 H new ATOM 0 HE1 PHE A 156 -9.204 -2.126 -5.937 1.00 7.84 H new ATOM 0 HE2 PHE A 156 -12.934 -0.823 -6.504 1.00 9.85 H new ATOM 0 HZ PHE A 156 -11.208 -2.199 -7.101 1.00 8.32 H new ATOM 2449 N TYR A 157 -9.535 3.649 -1.431 1.00 6.40 N ATOM 2450 CA TYR A 157 -9.788 4.604 -0.355 1.00 6.84 C ATOM 2451 C TYR A 157 -9.567 6.033 -0.863 1.00 6.35 C ATOM 2452 O TYR A 157 -10.298 6.952 -0.478 1.00 7.23 O ATOM 2453 CB TYR A 157 -8.907 4.333 0.867 1.00 7.68 C ATOM 2454 CG TYR A 157 -9.227 3.069 1.656 1.00 7.30 C ATOM 2455 CD1 TYR A 157 -10.174 2.144 1.235 1.00 7.53 C ATOM 2456 CD2 TYR A 157 -8.572 2.821 2.847 1.00 10.51 C ATOM 2457 CE1 TYR A 157 -10.445 0.981 1.988 1.00 10.58 C ATOM 2458 CE2 TYR A 157 -8.851 1.677 3.601 1.00 11.03 C ATOM 2459 CZ TYR A 157 -9.780 0.774 3.161 1.00 11.22 C ATOM 2460 OH TYR A 157 -10.059 -0.350 3.905 1.00 13.94 O ATOM 0 H TYR A 157 -8.826 3.172 -1.336 1.00 6.40 H new ATOM 0 HA TYR A 157 -10.711 4.499 -0.076 1.00 6.84 H new ATOM 0 HB2 TYR A 157 -7.984 4.284 0.573 1.00 7.68 H new ATOM 0 HB3 TYR A 157 -8.974 5.093 1.467 1.00 7.68 H new ATOM 0 HD1 TYR A 157 -10.638 2.294 0.443 1.00 7.53 H new ATOM 0 HD2 TYR A 157 -7.935 3.425 3.152 1.00 10.51 H new ATOM 0 HE1 TYR A 157 -11.071 0.362 1.687 1.00 10.58 H new ATOM 0 HE2 TYR A 157 -8.404 1.530 4.403 1.00 11.03 H new ATOM 0 HH TYR A 157 -10.885 -0.504 3.882 1.00 13.94 H new ATOM 2470 N THR A 158 -8.586 6.223 -1.743 1.00 6.32 N ATOM 2471 CA THR A 158 -8.375 7.535 -2.382 1.00 5.75 C ATOM 2472 C THR A 158 -9.613 7.950 -3.163 1.00 7.34 C ATOM 2473 O THR A 158 -10.024 9.114 -3.124 1.00 6.72 O ATOM 2474 CB THR A 158 -7.127 7.538 -3.262 1.00 7.09 C ATOM 2475 OG1 THR A 158 -5.988 7.394 -2.404 1.00 7.96 O ATOM 2476 CG2 THR A 158 -6.986 8.825 -4.047 1.00 7.70 C ATOM 0 H THR A 158 -8.031 5.613 -1.987 1.00 6.32 H new ATOM 0 HA THR A 158 -8.226 8.190 -1.683 1.00 5.75 H new ATOM 0 HB THR A 158 -7.196 6.811 -3.900 1.00 7.09 H new ATOM 0 HG1 THR A 158 -5.807 6.579 -2.312 1.00 7.96 H new ATOM 0 HG21 THR A 158 -6.184 8.786 -4.591 1.00 7.70 H new ATOM 0 HG22 THR A 158 -7.760 8.941 -4.620 1.00 7.70 H new ATOM 0 HG23 THR A 158 -6.924 9.574 -3.433 1.00 7.70 H new ATOM 2484 N LEU A 159 -10.235 6.999 -3.854 1.00 5.29 N ATOM 2485 CA LEU A 159 -11.437 7.320 -4.606 1.00 7.42 C ATOM 2486 C LEU A 159 -12.558 7.783 -3.667 1.00 6.78 C ATOM 2487 O LEU A 159 -13.249 8.771 -3.971 1.00 6.91 O ATOM 2488 CB LEU A 159 -11.857 6.146 -5.491 1.00 7.00 C ATOM 2489 CG LEU A 159 -13.065 6.389 -6.388 1.00 6.19 C ATOM 2490 CD1 LEU A 159 -12.827 7.553 -7.301 1.00 6.90 C ATOM 2491 CD2 LEU A 159 -13.351 5.137 -7.158 1.00 7.38 C ATOM 0 H LEU A 159 -9.982 6.178 -3.899 1.00 5.29 H new ATOM 0 HA LEU A 159 -11.244 8.062 -5.201 1.00 7.42 H new ATOM 0 HB2 LEU A 159 -11.104 5.900 -6.051 1.00 7.00 H new ATOM 0 HB3 LEU A 159 -12.047 5.385 -4.921 1.00 7.00 H new ATOM 0 HG LEU A 159 -13.837 6.611 -5.845 1.00 6.19 H new ATOM 0 HD11 LEU A 159 -13.607 7.689 -7.862 1.00 6.90 H new ATOM 0 HD12 LEU A 159 -12.665 8.351 -6.773 1.00 6.90 H new ATOM 0 HD13 LEU A 159 -12.055 7.373 -7.860 1.00 6.90 H new ATOM 0 HD21 LEU A 159 -14.119 5.279 -7.733 1.00 7.38 H new ATOM 0 HD22 LEU A 159 -12.580 4.907 -7.699 1.00 7.38 H new ATOM 0 HD23 LEU A 159 -13.540 4.413 -6.541 1.00 7.38 H new ATOM 2503 N VAL A 160 -12.728 7.099 -2.530 1.00 6.19 N ATOM 2504 CA VAL A 160 -13.672 7.557 -1.512 1.00 5.98 C ATOM 2505 C VAL A 160 -13.348 8.975 -1.045 1.00 6.94 C ATOM 2506 O VAL A 160 -14.233 9.817 -0.927 1.00 6.76 O ATOM 2507 CB VAL A 160 -13.708 6.566 -0.330 1.00 6.02 C ATOM 2508 CG1 VAL A 160 -14.456 7.149 0.848 1.00 7.45 C ATOM 2509 CG2 VAL A 160 -14.340 5.251 -0.765 1.00 6.93 C ATOM 0 H VAL A 160 -12.309 6.374 -2.333 1.00 6.19 H new ATOM 0 HA VAL A 160 -14.556 7.586 -1.910 1.00 5.98 H new ATOM 0 HB VAL A 160 -12.795 6.397 -0.049 1.00 6.02 H new ATOM 0 HG11 VAL A 160 -14.464 6.508 1.576 1.00 7.45 H new ATOM 0 HG12 VAL A 160 -14.017 7.963 1.140 1.00 7.45 H new ATOM 0 HG13 VAL A 160 -15.368 7.351 0.585 1.00 7.45 H new ATOM 0 HG21 VAL A 160 -14.357 4.636 -0.015 1.00 6.93 H new ATOM 0 HG22 VAL A 160 -15.246 5.413 -1.071 1.00 6.93 H new ATOM 0 HG23 VAL A 160 -13.820 4.865 -1.487 1.00 6.93 H new ATOM 2519 N ARG A 161 -12.082 9.246 -0.770 1.00 6.40 N ATOM 2520 CA ARG A 161 -11.687 10.596 -0.402 1.00 6.79 C ATOM 2521 C ARG A 161 -11.997 11.646 -1.473 1.00 6.87 C ATOM 2522 O ARG A 161 -12.412 12.770 -1.153 1.00 7.69 O ATOM 2523 CB ARG A 161 -10.220 10.615 0.024 1.00 7.38 C ATOM 2524 CG ARG A 161 -9.983 9.795 1.272 1.00 8.40 C ATOM 2525 CD ARG A 161 -8.498 9.714 1.625 1.00 10.68 C ATOM 2526 NE ARG A 161 -8.272 8.785 2.735 1.00 9.13 N ATOM 2527 CZ ARG A 161 -7.531 7.687 2.686 1.00 10.51 C ATOM 2528 NH1 ARG A 161 -6.875 7.357 1.589 1.00 10.41 N ATOM 2529 NH2 ARG A 161 -7.426 6.914 3.761 1.00 12.38 N1+ ATOM 0 H ARG A 161 -11.443 8.671 -0.790 1.00 6.40 H new ATOM 0 HA ARG A 161 -12.234 10.855 0.356 1.00 6.79 H new ATOM 0 HB2 ARG A 161 -9.670 10.271 -0.697 1.00 7.38 H new ATOM 0 HB3 ARG A 161 -9.941 11.531 0.182 1.00 7.38 H new ATOM 0 HG2 ARG A 161 -10.471 10.186 2.014 1.00 8.40 H new ATOM 0 HG3 ARG A 161 -10.334 8.900 1.142 1.00 8.40 H new ATOM 0 HD2 ARG A 161 -7.993 9.425 0.849 1.00 10.68 H new ATOM 0 HD3 ARG A 161 -8.171 10.595 1.864 1.00 10.68 H new ATOM 0 HE ARG A 161 -8.653 8.968 3.484 1.00 9.13 H new ATOM 0 HH11 ARG A 161 -6.925 7.857 0.891 1.00 10.41 H new ATOM 0 HH12 ARG A 161 -6.398 6.642 1.572 1.00 10.41 H new ATOM 0 HH21 ARG A 161 -7.838 7.127 4.485 1.00 12.38 H new ATOM 0 HH22 ARG A 161 -6.946 6.201 3.733 1.00 12.38 H new ATOM 2543 N GLU A 162 -11.817 11.298 -2.740 1.00 6.66 N ATOM 2544 CA GLU A 162 -12.211 12.199 -3.828 1.00 7.33 C ATOM 2545 C GLU A 162 -13.728 12.439 -3.870 1.00 7.36 C ATOM 2546 O GLU A 162 -14.172 13.548 -4.163 1.00 7.60 O ATOM 2547 CB GLU A 162 -11.733 11.651 -5.175 1.00 6.85 C ATOM 2548 CG GLU A 162 -10.214 11.693 -5.340 1.00 9.03 C ATOM 2549 CD GLU A 162 -9.697 13.111 -5.400 1.00 8.11 C ATOM 2550 OE1 GLU A 162 -9.810 13.752 -6.451 1.00 8.32 O ATOM 2551 OE2 GLU A 162 -9.204 13.636 -4.382 1.00 13.32 O1- ATOM 0 H GLU A 162 -11.472 10.553 -2.995 1.00 6.66 H new ATOM 0 HA GLU A 162 -11.786 13.053 -3.655 1.00 7.33 H new ATOM 0 HB2 GLU A 162 -12.037 10.735 -5.271 1.00 6.85 H new ATOM 0 HB3 GLU A 162 -12.144 12.163 -5.889 1.00 6.85 H new ATOM 0 HG2 GLU A 162 -9.795 11.227 -4.600 1.00 9.03 H new ATOM 0 HG3 GLU A 162 -9.963 11.222 -6.150 1.00 9.03 H new ATOM 2558 N ILE A 163 -14.501 11.400 -3.601 1.00 5.86 N ATOM 2559 CA ILE A 163 -15.947 11.562 -3.528 1.00 6.31 C ATOM 2560 C ILE A 163 -16.309 12.516 -2.392 1.00 7.66 C ATOM 2561 O ILE A 163 -17.130 13.410 -2.568 1.00 7.88 O ATOM 2562 CB ILE A 163 -16.647 10.208 -3.364 1.00 6.55 C ATOM 2563 CG1 ILE A 163 -16.498 9.368 -4.631 1.00 6.91 C ATOM 2564 CG2 ILE A 163 -18.117 10.405 -3.040 1.00 7.70 C ATOM 2565 CD1 ILE A 163 -16.804 7.884 -4.415 1.00 6.95 C ATOM 0 H ILE A 163 -14.216 10.601 -3.459 1.00 5.86 H new ATOM 0 HA ILE A 163 -16.258 11.947 -4.362 1.00 6.31 H new ATOM 0 HB ILE A 163 -16.226 9.737 -2.628 1.00 6.55 H new ATOM 0 HG12 ILE A 163 -17.091 9.718 -5.315 1.00 6.91 H new ATOM 0 HG13 ILE A 163 -15.593 9.459 -4.967 1.00 6.91 H new ATOM 0 HG21 ILE A 163 -18.545 9.540 -2.939 1.00 7.70 H new ATOM 0 HG22 ILE A 163 -18.202 10.906 -2.213 1.00 7.70 H new ATOM 0 HG23 ILE A 163 -18.544 10.895 -3.760 1.00 7.70 H new ATOM 0 HD11 ILE A 163 -16.693 7.405 -5.251 1.00 6.95 H new ATOM 0 HD12 ILE A 163 -16.196 7.521 -3.752 1.00 6.95 H new ATOM 0 HD13 ILE A 163 -17.718 7.784 -4.105 1.00 6.95 H new ATOM 2577 N ARG A 164 -15.681 12.348 -1.230 1.00 6.86 N ATOM 2578 CA ARG A 164 -15.944 13.260 -0.114 1.00 8.12 C ATOM 2579 C ARG A 164 -15.651 14.729 -0.488 1.00 8.61 C ATOM 2580 O ARG A 164 -16.416 15.635 -0.134 1.00 8.43 O ATOM 2581 CB ARG A 164 -15.134 12.865 1.127 1.00 6.98 C ATOM 2582 CG ARG A 164 -15.496 11.542 1.757 1.00 7.14 C ATOM 2583 CD ARG A 164 -14.501 11.201 2.834 1.00 8.49 C ATOM 2584 NE ARG A 164 -14.785 9.947 3.511 1.00 8.65 N ATOM 2585 CZ ARG A 164 -13.876 9.300 4.215 1.00 9.26 C ATOM 2586 NH1 ARG A 164 -12.644 9.783 4.297 1.00 9.54 N ATOM 2587 NH2 ARG A 164 -14.192 8.172 4.829 1.00 10.23 N1+ ATOM 0 H ARG A 164 -15.110 11.726 -1.067 1.00 6.86 H new ATOM 0 HA ARG A 164 -16.889 13.185 0.091 1.00 8.12 H new ATOM 0 HB2 ARG A 164 -14.195 12.842 0.885 1.00 6.98 H new ATOM 0 HB3 ARG A 164 -15.238 13.561 1.795 1.00 6.98 H new ATOM 0 HG2 ARG A 164 -16.389 11.587 2.133 1.00 7.14 H new ATOM 0 HG3 ARG A 164 -15.507 10.845 1.082 1.00 7.14 H new ATOM 0 HD2 ARG A 164 -13.615 11.155 2.443 1.00 8.49 H new ATOM 0 HD3 ARG A 164 -14.485 11.917 3.488 1.00 8.49 H new ATOM 0 HE ARG A 164 -15.576 9.614 3.450 1.00 8.65 H new ATOM 0 HH11 ARG A 164 -12.441 10.514 3.893 1.00 9.54 H new ATOM 0 HH12 ARG A 164 -12.048 9.365 4.755 1.00 9.54 H new ATOM 0 HH21 ARG A 164 -14.991 7.859 4.770 1.00 10.23 H new ATOM 0 HH22 ARG A 164 -13.599 7.751 5.288 1.00 10.23 H new ATOM 2601 N LYS A 165 -14.557 14.980 -1.192 1.00 8.08 N ATOM 2602 CA LYS A 165 -14.208 16.342 -1.611 1.00 8.71 C ATOM 2603 C LYS A 165 -15.274 16.919 -2.537 1.00 9.91 C ATOM 2604 O LYS A 165 -15.605 18.102 -2.487 1.00 10.88 O ATOM 2605 CB LYS A 165 -12.824 16.383 -2.287 1.00 13.10 C ATOM 2606 CG LYS A 165 -11.724 16.211 -1.291 1.00 16.93 C ATOM 2607 CD LYS A 165 -10.348 16.221 -1.889 1.00 27.22 C ATOM 2608 CE LYS A 165 -9.284 16.184 -0.786 1.00 33.30 C ATOM 2609 NZ LYS A 165 -9.180 14.898 0.040 1.00 29.89 N1+ ATOM 0 H LYS A 165 -13.997 14.377 -1.441 1.00 8.08 H new ATOM 0 HA LYS A 165 -14.168 16.892 -0.813 1.00 8.71 H new ATOM 0 HB2 LYS A 165 -12.769 15.683 -2.956 1.00 13.10 H new ATOM 0 HB3 LYS A 165 -12.714 17.228 -2.750 1.00 13.10 H new ATOM 0 HG2 LYS A 165 -11.784 16.920 -0.631 1.00 16.93 H new ATOM 0 HG3 LYS A 165 -11.855 15.373 -0.820 1.00 16.93 H new ATOM 0 HD2 LYS A 165 -10.239 15.457 -2.477 1.00 27.22 H new ATOM 0 HD3 LYS A 165 -10.231 17.016 -2.432 1.00 27.22 H new ATOM 0 HE2 LYS A 165 -8.420 16.350 -1.195 1.00 33.30 H new ATOM 0 HE3 LYS A 165 -9.455 16.920 -0.177 1.00 33.30 H new ATOM 0 HZ1 LYS A 165 -8.440 14.921 0.534 1.00 29.89 H new ATOM 0 HZ2 LYS A 165 -9.890 14.829 0.572 1.00 29.89 H new ATOM 0 HZ3 LYS A 165 -9.149 14.196 -0.506 1.00 29.89 H new ATOM 2623 N HIS A 166 -15.850 16.080 -3.376 1.00 7.20 N ATOM 2624 CA HIS A 166 -16.909 16.525 -4.261 1.00 7.25 C ATOM 2625 C HIS A 166 -18.178 16.848 -3.487 1.00 8.68 C ATOM 2626 O HIS A 166 -18.842 17.850 -3.758 1.00 8.24 O ATOM 2627 CB HIS A 166 -17.187 15.442 -5.310 1.00 9.16 C ATOM 2628 CG HIS A 166 -18.312 15.766 -6.234 1.00 12.59 C ATOM 2629 ND1 HIS A 166 -18.252 16.792 -7.148 1.00 18.08 N1+ ATOM 2630 CD2 HIS A 166 -19.524 15.191 -6.385 1.00 14.74 C ATOM 2631 CE1 HIS A 166 -19.391 16.839 -7.826 1.00 17.51 C ATOM 2632 NE2 HIS A 166 -20.179 15.882 -7.376 1.00 17.66 N ATOM 0 H HIS A 166 -15.643 15.248 -3.450 1.00 7.20 H new ATOM 0 HA HIS A 166 -16.619 17.338 -4.703 1.00 7.25 H new ATOM 0 HB2 HIS A 166 -16.383 15.297 -5.833 1.00 9.16 H new ATOM 0 HB3 HIS A 166 -17.384 14.608 -4.856 1.00 9.16 H new ATOM 0 HD1 HIS A 166 -17.582 17.319 -7.262 1.00 18.08 H new ATOM 0 HD2 HIS A 166 -19.854 14.464 -5.908 1.00 14.74 H new ATOM 0 HE1 HIS A 166 -19.598 17.443 -8.502 1.00 17.51 H new ATOM 2641 N LYS A 167 -18.490 16.015 -2.500 1.00 8.28 N ATOM 2642 CA LYS A 167 -19.730 16.184 -1.735 1.00 8.47 C ATOM 2643 C LYS A 167 -19.745 17.473 -0.918 1.00 9.66 C ATOM 2644 O LYS A 167 -20.812 18.063 -0.716 1.00 8.30 O ATOM 2645 CB LYS A 167 -19.941 15.005 -0.791 1.00 10.59 C ATOM 2646 CG LYS A 167 -20.332 13.720 -1.490 1.00 10.16 C ATOM 2647 CD LYS A 167 -20.292 12.564 -0.501 1.00 17.36 C ATOM 2648 CE LYS A 167 -21.626 11.978 -0.189 1.00 23.18 C ATOM 2649 NZ LYS A 167 -21.466 10.731 0.594 1.00 11.56 N1+ ATOM 0 H LYS A 167 -18.004 15.349 -2.256 1.00 8.28 H new ATOM 0 HA LYS A 167 -20.448 16.229 -2.386 1.00 8.47 H new ATOM 0 HB2 LYS A 167 -19.125 14.854 -0.289 1.00 10.59 H new ATOM 0 HB3 LYS A 167 -20.630 15.236 -0.149 1.00 10.59 H new ATOM 0 HG2 LYS A 167 -21.222 13.804 -1.866 1.00 10.16 H new ATOM 0 HG3 LYS A 167 -19.727 13.546 -2.228 1.00 10.16 H new ATOM 0 HD2 LYS A 167 -19.719 11.867 -0.857 1.00 17.36 H new ATOM 0 HD3 LYS A 167 -19.885 12.872 0.324 1.00 17.36 H new ATOM 0 HE2 LYS A 167 -22.158 12.616 0.312 1.00 23.18 H new ATOM 0 HE3 LYS A 167 -22.106 11.792 -1.011 1.00 23.18 H new ATOM 0 HZ1 LYS A 167 -22.063 10.716 1.254 1.00 11.56 H new ATOM 0 HZ2 LYS A 167 -21.594 10.028 0.063 1.00 11.56 H new ATOM 0 HZ3 LYS A 167 -20.645 10.698 0.936 1.00 11.56 H new ATOM 2663 N GLU A 168 -18.593 17.924 -0.447 1.00 9.92 N ATOM 2664 CA GLU A 168 -18.587 19.053 0.509 1.00 9.94 C ATOM 2665 C GLU A 168 -18.822 20.396 -0.181 1.00 10.93 C ATOM 2666 O GLU A 168 -18.985 21.416 0.486 1.00 10.41 O ATOM 2667 CB GLU A 168 -17.279 19.088 1.315 1.00 13.05 C ATOM 2668 CG GLU A 168 -16.112 19.444 0.483 1.00 12.30 C ATOM 2669 CD GLU A 168 -14.810 19.626 1.263 1.00 17.84 C ATOM 2670 OE1 GLU A 168 -14.821 19.635 2.505 1.00 17.47 O ATOM 2671 OE2 GLU A 168 -13.772 19.801 0.588 1.00 21.81 O1- ATOM 0 H GLU A 168 -17.819 17.610 -0.652 1.00 9.92 H new ATOM 0 HA GLU A 168 -19.326 18.905 1.120 1.00 9.94 H new ATOM 0 HB2 GLU A 168 -17.365 19.729 2.038 1.00 13.05 H new ATOM 0 HB3 GLU A 168 -17.130 18.220 1.722 1.00 13.05 H new ATOM 0 HG2 GLU A 168 -15.982 18.752 -0.185 1.00 12.30 H new ATOM 0 HG3 GLU A 168 -16.308 20.266 0.006 1.00 12.30 H new ATOM 2678 N LYS A 169 -18.843 20.424 -1.511 1.00 11.39 N ATOM 2679 CA LYS A 169 -18.946 21.692 -2.231 1.00 13.28 C ATOM 2680 C LYS A 169 -20.315 22.341 -2.061 1.00 21.35 C ATOM 2681 O LYS A 169 -20.471 23.558 -2.212 1.00 24.32 O ATOM 2682 CB LYS A 169 -18.657 21.468 -3.716 1.00 15.53 C ATOM 2683 CG LYS A 169 -17.208 21.119 -3.974 1.00 15.44 C ATOM 2684 CD LYS A 169 -16.875 20.943 -5.447 1.00 17.98 C ATOM 2685 CE LYS A 169 -15.386 20.773 -5.600 1.00 18.66 C ATOM 2686 NZ LYS A 169 -14.988 20.660 -7.018 1.00 23.46 N1+ ATOM 2687 OXT LYS A 169 -21.295 21.667 -1.766 1.00 18.64 O1- ATOM 0 H LYS A 169 -18.799 19.727 -2.012 1.00 11.39 H new ATOM 0 HA LYS A 169 -18.289 22.297 -1.853 1.00 13.28 H new ATOM 0 HB2 LYS A 169 -19.223 20.755 -4.049 1.00 15.53 H new ATOM 0 HB3 LYS A 169 -18.888 22.269 -4.212 1.00 15.53 H new ATOM 0 HG2 LYS A 169 -16.645 21.817 -3.604 1.00 15.44 H new ATOM 0 HG3 LYS A 169 -16.992 20.300 -3.502 1.00 15.44 H new ATOM 0 HD2 LYS A 169 -17.338 20.169 -5.805 1.00 17.98 H new ATOM 0 HD3 LYS A 169 -17.177 21.714 -5.953 1.00 17.98 H new ATOM 0 HE2 LYS A 169 -14.931 21.529 -5.196 1.00 18.66 H new ATOM 0 HE3 LYS A 169 -15.100 19.980 -5.120 1.00 18.66 H new ATOM 0 HZ1 LYS A 169 -14.173 20.307 -7.070 1.00 23.46 H new ATOM 0 HZ2 LYS A 169 -15.565 20.137 -7.448 1.00 23.46 H new ATOM 0 HZ3 LYS A 169 -14.986 21.468 -7.391 1.00 23.46 H new TER 2701 LYS A 169 HETATM 2702 PB GDP A 201 -10.121 -7.546 -16.205 1.00 8.28 P1+ HETATM 2703 O1B GDP A 201 -10.525 -8.037 -17.586 1.00 9.09 O1- HETATM 2704 O2B GDP A 201 -9.739 -6.077 -16.220 1.00 8.90 O1- HETATM 2705 O3B GDP A 201 -11.178 -7.888 -15.146 1.00 8.04 O1- HETATM 2706 O3A GDP A 201 -8.779 -8.298 -15.790 1.00 8.77 O HETATM 2707 PA GDP A 201 -8.553 -9.583 -14.854 1.00 9.43 P1+ HETATM 2708 O1A GDP A 201 -9.389 -10.718 -15.398 1.00 10.73 O1- HETATM 2709 O2A GDP A 201 -8.732 -9.201 -13.432 1.00 10.80 O1- HETATM 2710 O5' GDP A 201 -7.003 -9.876 -15.092 1.00 9.53 O HETATM 2711 C5' GDP A 201 -6.532 -10.207 -16.416 1.00 10.48 C HETATM 2712 C4' GDP A 201 -5.275 -11.044 -16.267 1.00 10.30 C HETATM 2713 O4' GDP A 201 -4.225 -10.259 -15.662 1.00 9.13 O HETATM 2714 C3' GDP A 201 -5.429 -12.259 -15.384 1.00 13.91 C HETATM 2715 O3' GDP A 201 -4.594 -13.289 -15.955 1.00 17.88 O HETATM 2716 C2' GDP A 201 -4.895 -11.795 -14.051 1.00 12.95 C HETATM 2717 O2' GDP A 201 -4.244 -12.817 -13.325 1.00 22.30 O HETATM 2718 C1' GDP A 201 -3.799 -10.851 -14.449 1.00 10.34 C HETATM 2719 N9 GDP A 201 -3.557 -9.786 -13.481 1.00 8.90 N HETATM 2720 C8 GDP A 201 -4.475 -8.913 -12.986 1.00 7.63 C HETATM 2721 N7 GDP A 201 -3.899 -8.070 -12.121 1.00 9.44 N HETATM 2722 C5 GDP A 201 -2.593 -8.382 -12.076 1.00 8.39 C HETATM 2723 C6 GDP A 201 -1.433 -7.891 -11.372 1.00 9.39 C HETATM 2724 O6 GDP A 201 -1.495 -6.911 -10.633 1.00 8.50 O HETATM 2725 N1 GDP A 201 -0.280 -8.519 -11.634 1.00 8.01 N HETATM 2726 C2 GDP A 201 -0.155 -9.569 -12.466 1.00 10.29 C HETATM 2727 N2 GDP A 201 1.081 -10.102 -12.603 1.00 11.71 N HETATM 2728 N3 GDP A 201 -1.174 -10.089 -13.143 1.00 10.08 N HETATM 2729 C4 GDP A 201 -2.388 -9.529 -12.964 1.00 8.38 C HETATM 0 HO3' GDP A 201 -4.104 -13.617 -15.356 1.00 17.88 H new HETATM 0 HO2' GDP A 201 -4.038 -12.532 -12.562 1.00 22.30 H new HETATM 0 HN22 GDP A 201 1.204 -10.774 -13.125 1.00 11.71 H new HETATM 0 HN21 GDP A 201 1.744 -9.769 -12.168 1.00 11.71 H new HETATM 0 H5'' GDP A 201 -7.211 -10.698 -16.905 1.00 10.48 H new HETATM 0 HN1 GDP A 201 0.430 -8.231 -11.243 1.00 8.01 H new HETATM 0 H8 GDP A 201 -5.415 -8.903 -13.226 1.00 7.63 H new HETATM 0 H5' GDP A 201 -6.345 -9.401 -16.922 1.00 10.48 H new HETATM 0 H4' GDP A 201 -5.072 -11.334 -17.170 1.00 10.30 H new HETATM 0 H3' GDP A 201 -6.331 -12.607 -15.299 1.00 13.91 H new HETATM 0 H2' GDP A 201 -5.617 -11.449 -13.504 1.00 12.95 H new HETATM 0 H1' GDP A 201 -2.969 -11.348 -14.518 1.00 10.34 H new HETATM 2740 MG MG A 202 -13.040 -8.730 -15.271 1.00 8.82 MG2+ HETATM 2741 SAH 2XO A 203 -25.242 -4.327 -8.541 1.00 15.83 S HETATM 2742 CAI 2XO A 203 -25.416 -3.008 -7.401 1.00 12.57 C HETATM 2743 CAJ 2XO A 203 -23.123 -0.156 -8.035 1.00 8.95 C HETATM 2744 NAK 2XO A 203 -23.577 -1.224 -7.262 1.00 9.40 N HETATM 2745 CAL 2XO A 203 -24.619 -1.801 -7.900 1.00 11.40 C HETATM 2746 NAM 2XO A 203 -24.842 -1.126 -9.065 1.00 11.30 N HETATM 2747 CAN 2XO A 203 -23.922 -0.098 -9.170 1.00 8.50 C HETATM 2748 CAO 2XO A 203 -23.686 0.921 -10.169 1.00 8.40 C HETATM 2749 CAP 2XO A 203 -22.638 1.861 -9.991 1.00 8.90 C HETATM 2750 CAQ 2XO A 203 -21.818 1.800 -8.825 1.00 9.17 C HETATM 2751 CAR 2XO A 203 -22.047 0.807 -7.850 1.00 7.97 C HETATM 2752 O HOH A 301 -22.124 20.127 0.719 1.00 7.73 O HETATM 2753 O HOH A 302 -14.073 -6.952 -14.885 1.00 8.20 O HETATM 2754 O HOH A 303 -10.825 12.883 -8.709 1.00 9.65 O HETATM 2755 O HOH A 304 -12.024 -10.553 -15.459 1.00 9.51 O HETATM 2756 O HOH A 305 -14.754 -9.905 -15.492 1.00 9.56 O HETATM 2757 O HOH A 306 -7.973 0.875 -19.739 1.00 7.75 O HETATM 2758 O HOH A 307 0.007 6.872 -3.166 1.00 10.44 O HETATM 2759 O HOH A 308 -1.546 -6.567 -19.322 1.00 12.70 O HETATM 2760 O HOH A 309 -13.072 -8.292 -17.280 1.00 8.71 O HETATM 2761 O HOH A 310 -21.133 9.472 6.916 1.00 9.45 O HETATM 2762 O HOH A 311 -7.810 -10.962 -7.023 1.00 11.95 O HETATM 2763 O HOH A 312 1.745 4.813 -6.932 1.00 9.18 O HETATM 2764 O HOH A 313 -18.572 10.585 8.712 1.00 7.98 O HETATM 2765 O HOH A 314 -17.262 11.297 4.986 1.00 9.29 O HETATM 2766 O HOH A 315 -17.521 15.355 2.333 1.00 9.17 O HETATM 2767 O HOH A 316 -19.399 -2.139 -18.541 1.00 9.36 O HETATM 2768 O HOH A 317 -3.317 -2.414 -0.253 1.00 8.96 O HETATM 2769 O HOH A 318 -20.859 6.339 7.313 1.00 10.23 O HETATM 2770 O HOH A 319 -0.003 3.338 -2.899 1.00 8.99 O HETATM 2771 O HOH A 320 -11.700 -3.534 -23.724 1.00 15.62 O HETATM 2772 O HOH A 321 -9.623 -10.478 -18.313 1.00 10.74 O HETATM 2773 O HOH A 322 -18.320 6.058 11.433 1.00 12.31 O HETATM 2774 O HOH A 323 -22.077 8.392 -0.797 1.00 11.91 O HETATM 2775 O HOH A 324 0.311 11.934 -10.663 1.00 10.22 O HETATM 2776 O HOH A 325 -21.256 11.602 -4.340 1.00 14.41 O HETATM 2777 O HOH A 326 -11.575 13.917 1.280 1.00 10.99 O HETATM 2778 O HOH A 327 -14.929 -0.724 -18.412 1.00 8.35 O HETATM 2779 O HOH A 328 -13.232 15.404 -6.002 1.00 13.39 O HETATM 2780 O HOH A 329 -26.584 -0.717 -15.129 1.00 13.60 O HETATM 2781 O HOH A 330 -11.623 12.466 3.651 1.00 14.56 O HETATM 2782 O HOH A 331 -3.426 -14.822 -3.119 1.00 15.24 O HETATM 2783 O HOH A 332 1.835 -2.343 -24.863 1.00 11.62 O HETATM 2784 O HOH A 333 -22.640 15.728 -21.611 1.00 11.15 O HETATM 2785 O HOH A 334 -19.503 10.944 2.570 1.00 11.55 O HETATM 2786 O HOH A 335 0.607 7.160 -5.855 1.00 9.53 O HETATM 2787 O HOH A 336 3.369 8.641 -8.978 1.00 10.95 O HETATM 2788 O HOH A 337 -26.468 0.448 -12.591 1.00 11.83 O HETATM 2789 O HOH A 338 0.860 18.513 -19.346 1.00 14.07 O HETATM 2790 O HOH A 339 -25.325 6.018 1.600 1.00 13.22 O HETATM 2791 O HOH A 340 -1.978 13.447 -9.876 1.00 11.61 O HETATM 2792 O HOH A 341 -13.367 -5.541 -19.510 1.00 15.33 O HETATM 2793 O HOH A 342 -14.600 -7.783 -20.919 1.00 14.65 O HETATM 2794 O HOH A 343 -16.868 1.288 -18.914 1.00 11.14 O HETATM 2795 O HOH A 344 -4.450 5.690 1.176 1.00 13.09 O HETATM 2796 O HOH A 345 2.708 -0.443 -7.087 1.00 14.77 O HETATM 2797 O HOH A 346 -16.643 -0.368 12.096 1.00 15.25 O HETATM 2798 O HOH A 347 -15.491 3.801 12.736 1.00 13.19 O HETATM 2799 O HOH A 348 -17.201 -9.096 -12.163 1.00 12.72 O HETATM 2800 O HOH A 349 -0.970 -10.333 -16.197 1.00 15.09 O HETATM 2801 O HOH A 350 -28.843 -4.169 -28.051 1.00 14.47 O HETATM 2802 O HOH A 351 -7.318 15.498 -3.735 1.00 13.95 O HETATM 2803 O HOH A 352 -13.924 15.239 -8.699 1.00 15.47 O HETATM 2804 O HOH A 353 -8.394 -11.276 -20.585 1.00 17.78 O HETATM 2805 O HOH A 354 -15.206 15.529 3.782 1.00 12.34 O HETATM 2806 O HOH A 355 -8.170 -1.901 -25.606 1.00 16.43 O HETATM 2807 O HOH A 356 -25.862 0.825 8.653 1.00 14.75 O HETATM 2808 O HOH A 357 -8.770 -22.512 -17.018 1.00 16.97 O HETATM 2809 O HOH A 358 -24.776 11.555 -12.832 1.00 12.84 O HETATM 2810 O HOH A 359 -15.042 11.645 6.444 1.00 13.92 O HETATM 2811 O HOH A 360 0.644 -9.314 -18.356 1.00 16.11 O HETATM 2812 O HOH A 361 -20.921 4.381 10.394 1.00 13.72 O HETATM 2813 O HOH A 362 -27.457 -0.637 -27.185 1.00 16.61 O HETATM 2814 O HOH A 363 -13.582 13.995 -25.443 1.00 14.73 O HETATM 2815 O HOH A 364 8.305 10.302 -12.586 1.00 20.04 O HETATM 2816 O HOH A 365 -9.569 -11.107 -23.012 1.00 19.15 O HETATM 2817 O HOH A 366 -30.125 6.978 -15.260 1.00 13.81 O HETATM 2818 O HOH A 367 2.411 3.773 -15.321 1.00 14.11 O HETATM 2819 O HOH A 368 -19.918 13.869 -10.183 1.00 15.41 O HETATM 2820 O HOH A 369 -19.272 -8.941 -2.113 1.00 18.20 O HETATM 2821 O HOH A 370 -24.725 1.857 -2.456 1.00 16.13 O HETATM 2822 O HOH A 371 -10.646 16.417 -5.136 1.00 16.45 O HETATM 2823 O HOH A 372 -25.789 1.503 4.625 1.00 15.57 O HETATM 2824 O HOH A 373 -3.862 -5.380 -20.047 1.00 14.98 O HETATM 2825 O HOH A 374 -14.220 15.299 -13.924 1.00 17.15 O HETATM 2826 O HOH A 375 1.308 2.493 -5.128 1.00 14.30 O HETATM 2827 O HOH A 376 -14.063 -2.803 -20.339 1.00 12.57 O HETATM 2828 O HOH A 377 -27.453 4.786 -24.174 1.00 16.70 O HETATM 2829 O HOH A 378 -8.870 12.887 -1.863 1.00 15.76 O HETATM 2830 O HOH A 379 -17.783 -6.408 4.936 1.00 17.63 O HETATM 2831 O HOH A 380 -17.648 1.873 -21.490 1.00 18.74 O HETATM 2832 O HOH A 381 -23.382 17.437 -1.885 1.00 18.21 O HETATM 2833 O HOH A 382 -15.584 18.243 4.561 1.00 18.28 O HETATM 2834 O HOH A 383 -10.167 -2.571 2.338 1.00 15.57 O HETATM 2835 O HOH A 384 4.849 0.765 -8.714 1.00 16.88 O HETATM 2836 O HOH A 385 -5.590 9.150 -0.345 1.00 18.22 O HETATM 2837 O HOH A 386 4.857 -11.095 -10.165 1.00 22.75 O HETATM 2838 O HOH A 387 -11.536 -1.513 7.532 1.00 18.02 O HETATM 2839 O HOH A 388 -2.988 18.393 -11.528 1.00 14.20 O HETATM 2840 O HOH A 389 -29.879 1.344 -24.988 1.00 15.06 O HETATM 2841 O HOH A 390 3.296 -6.137 -23.200 1.00 19.23 O HETATM 2842 O HOH A 391 -28.992 7.163 -21.154 1.00 16.92 O HETATM 2843 O HOH A 392 -24.881 11.222 -22.552 1.00 15.52 O HETATM 2844 O HOH A 393 -5.392 3.928 -29.000 1.00 17.07 O HETATM 2845 O HOH A 394 -26.797 9.139 -22.443 1.00 16.08 O HETATM 2846 O HOH A 395 -11.156 -0.460 -23.705 1.00 17.10 O HETATM 2847 O HOH A 396 3.426 -0.660 -26.534 1.00 16.76 O HETATM 2848 O HOH A 397 -22.088 -10.561 -16.179 1.00 18.09 O HETATM 2849 O HOH A 398 -13.970 20.250 -2.097 1.00 17.84 O HETATM 2850 O HOH A 399 -5.937 -3.266 -24.613 1.00 18.76 O HETATM 2851 O HOH A 400 -12.218 14.116 -12.328 1.00 16.78 O HETATM 2852 O HOH A 401 -26.517 -1.871 -10.992 1.00 18.25 O HETATM 2853 O HOH A 402 -13.173 17.652 -15.779 1.00 17.88 O HETATM 2854 O HOH A 403 0.237 20.252 -17.256 1.00 20.92 O HETATM 2855 O HOH A 404 -22.811 12.034 2.755 1.00 13.89 O HETATM 2856 O HOH A 405 -6.280 11.743 -1.438 1.00 18.17 O HETATM 2857 O HOH A 406 -7.118 -4.058 4.176 1.00 23.77 O HETATM 2858 O HOH A 407 -9.418 4.722 10.296 1.00 19.86 O HETATM 2859 O HOH A 408 5.578 13.957 -14.610 1.00 17.72 O HETATM 2860 O HOH A 409 -20.070 20.215 -13.919 1.00 22.22 O HETATM 2861 O HOH A 410 -20.453 -14.350 -18.820 1.00 21.21 O HETATM 2862 O HOH A 411 -17.841 -8.427 1.920 1.00 21.23 O HETATM 2863 O HOH A 412 -24.018 9.565 3.263 1.00 17.39 O HETATM 2864 O HOH A 413 -14.796 17.664 -6.413 1.00 17.70 O HETATM 2865 O HOH A 414 0.676 11.149 -20.822 1.00 20.07 O HETATM 2866 O HOH A 415 -8.115 4.820 6.896 1.00 17.64 O HETATM 2867 O HOH A 416 -13.776 13.876 5.360 1.00 19.93 O HETATM 2868 O HOH A 417 9.334 7.953 -12.858 1.00 20.78 O HETATM 2869 O HOH A 418 -13.203 16.000 2.006 1.00 17.56 O HETATM 2870 O HOH A 419 -11.208 -3.780 6.022 1.00 24.44 O HETATM 2871 O HOH A 420 -20.224 0.049 -21.847 1.00 23.71 O HETATM 2872 O HOH A 421 -8.356 -0.721 6.080 1.00 22.04 O HETATM 2873 O HOH A 422 -18.074 8.808 -25.111 1.00 16.91 O HETATM 2874 O HOH A 423 -5.545 2.774 -31.422 1.00 21.51 O HETATM 2875 O HOH A 424 -6.017 4.695 4.818 1.00 23.04 O HETATM 2876 O HOH A 425 -0.290 16.044 -19.911 1.00 19.79 O HETATM 2877 O HOH A 426 -22.759 11.174 -9.000 1.00 18.03 O HETATM 2878 O HOH A 427 5.675 2.356 -6.643 1.00 19.34 O HETATM 2879 O HOH A 428 3.517 5.833 -8.927 1.00 14.90 O HETATM 2880 O HOH A 429 -3.834 7.318 3.300 1.00 20.14 O HETATM 2881 O HOH A 430 9.748 -1.379 -15.329 1.00 17.65 O HETATM 2882 O HOH A 431 -1.989 -12.642 -17.226 1.00 22.03 O HETATM 2883 O HOH A 432 -27.147 3.273 -28.191 1.00 22.86 O HETATM 2884 O HOH A 433 -7.649 4.098 -27.421 1.00 16.58 O HETATM 2885 O HOH A 434 0.912 -6.698 -24.826 1.00 24.61 O HETATM 2886 O HOH A 435 3.278 3.574 -23.806 1.00 24.28 O HETATM 2887 O HOH A 436 -26.871 12.648 -16.640 1.00 19.06 O HETATM 2888 O HOH A 437 -1.884 -20.035 -12.266 1.00 25.08 O HETATM 2889 O HOH A 438 -26.203 -0.536 -5.289 1.00 24.41 O HETATM 2890 O HOH A 439 -5.295 -7.048 -21.964 1.00 21.51 O HETATM 2891 O HOH A 440 -2.169 1.242 -29.546 1.00 21.20 O HETATM 2892 O HOH A 441 -2.586 9.473 -27.249 1.00 23.54 O HETATM 2893 O HOH A 442 -30.625 2.271 8.320 1.00 23.43 O HETATM 2894 O HOH A 443 -3.025 -11.957 -1.848 1.00 25.51 O HETATM 2895 O HOH A 444 4.223 20.793 -14.466 1.00 16.93 O HETATM 2896 O HOH A 445 -22.263 -3.967 6.182 1.00 26.28 O HETATM 2897 O HOH A 446 4.427 -8.108 -20.123 1.00 19.52 O HETATM 2898 O HOH A 447 -25.692 7.569 -6.898 1.00 28.92 O HETATM 2899 O HOH A 448 -5.899 -21.073 -18.642 1.00 24.19 O HETATM 2900 O HOH A 449 7.365 10.632 -21.299 1.00 26.48 O HETATM 2901 O HOH A 450 -9.170 -12.957 -16.602 1.00 25.62 O HETATM 2902 O HOH A 451 -3.989 -1.341 3.611 1.00 28.16 O HETATM 2903 O HOH A 452 -14.278 -5.467 6.426 1.00 25.21 O HETATM 2904 O HOH A 453 -14.424 -17.110 -13.739 1.00 21.75 O HETATM 2905 O HOH A 454 -9.331 6.435 -25.885 1.00 20.74 O HETATM 2906 O HOH A 455 -28.257 -7.964 -19.891 1.00 19.77 O HETATM 2907 O HOH A 456 -26.350 20.339 -19.908 1.00 27.34 O HETATM 2908 O HOH A 457 5.413 -9.982 -18.356 1.00 20.16 O HETATM 2909 O HOH A 458 -22.836 -0.888 -23.879 1.00 20.47 O HETATM 2910 O HOH A 459 3.974 -12.528 -5.309 1.00 24.24 O HETATM 2911 O HOH A 460 -10.602 16.578 -11.979 1.00 24.26 O HETATM 2912 O HOH A 461 -9.066 12.240 4.570 1.00 25.04 O HETATM 2913 O HOH A 462 -17.451 -10.922 -1.876 1.00 25.60 O HETATM 2914 O HOH A 463 -5.166 -20.599 -11.214 1.00 21.37 O HETATM 2915 O HOH A 464 -29.007 2.343 -7.005 1.00 25.93 O HETATM 2916 O HOH A 465 -1.540 10.322 -22.222 1.00 27.15 O HETATM 2917 O HOH A 466 7.532 -9.128 -16.594 1.00 23.98 O HETATM 2918 O HOH A 467 -24.167 14.078 -12.659 1.00 26.63 O HETATM 2919 O HOH A 468 -27.135 11.266 -10.989 1.00 31.49 O HETATM 2920 O HOH A 469 -20.711 -9.951 -4.500 1.00 27.14 O HETATM 2921 O HOH A 470 -25.720 13.024 -20.649 1.00 19.23 O HETATM 2922 O HOH A 471 -0.593 -7.442 -21.665 1.00 27.75 O HETATM 2923 O HOH A 472 7.769 -10.818 -14.365 1.00 28.74 O HETATM 2924 O HOH A 473 -21.909 25.569 -1.525 1.00 24.39 O HETATM 2925 O HOH A 474 -6.240 10.429 5.385 1.00 25.10 O HETATM 2926 O HOH A 475 -9.691 8.224 -27.439 1.00 25.60 O HETATM 2927 O HOH A 476 4.913 -4.018 -7.569 1.00 23.25 O HETATM 2928 O HOH A 477 -11.036 -14.062 2.124 1.00 29.65 O HETATM 2929 O HOH A 478 -5.205 11.108 0.902 1.00 26.40 O HETATM 2930 O HOH A 479 6.858 17.234 -16.438 1.00 25.72 O HETATM 2931 O HOH A 480 5.885 18.412 -14.157 1.00 20.25 O HETATM 2932 O HOH A 481 -25.319 -4.041 -12.396 1.00 29.19 O HETATM 2933 O HOH A 482 8.804 -1.049 -13.072 1.00 27.41 O HETATM 2934 O HOH A 483 -22.269 -13.092 -17.074 1.00 24.86 O HETATM 2935 O HOH A 484 7.304 -10.214 -11.508 1.00 32.83 O HETATM 2936 O HOH A 485 -7.516 -17.922 -9.983 1.00 30.86 O HETATM 2937 O HOH A 486 -2.304 7.569 -29.168 1.00 22.63 O HETATM 2938 O HOH A 487 -9.535 0.303 8.165 1.00 25.46 O HETATM 2939 O HOH A 488 -21.278 19.962 -7.010 1.00 27.04 O HETATM 2940 O HOH A 489 -21.327 18.321 -5.028 1.00 23.03 O HETATM 2941 O HOH A 490 7.058 -1.765 -6.326 1.00 37.58 O HETATM 2942 O HOH A 491 4.939 -10.843 -7.341 1.00 26.36 O HETATM 2943 O HOH A 492 -4.801 -8.469 2.886 1.00 31.16 O HETATM 2944 O HOH A 493 -28.041 0.376 5.744 1.00 24.80 O HETATM 2945 O HOH A 494 -2.410 12.310 -23.696 1.00 25.37 O HETATM 2946 O HOH A 495 -26.840 -0.942 -1.087 1.00 28.17 O HETATM 2947 O HOH A 496 -27.048 -3.377 -4.263 1.00 27.23 O HETATM 2948 O HOH A 497 -10.095 18.768 -4.311 1.00 25.75 O HETATM 2949 O HOH A 498 3.785 13.824 -21.556 1.00 22.60 O HETATM 2950 O HOH A 499 0.661 6.249 -26.728 1.00 26.92 O HETATM 2951 O HOH A 500 -19.050 -1.487 12.307 1.00 30.29 O HETATM 2952 O HOH A 501 -2.151 20.346 -16.948 1.00 26.10 O HETATM 2953 O HOH A 502 -22.488 14.567 -10.785 1.00 29.78 O HETATM 2954 O HOH A 503 -30.318 2.104 -9.488 1.00 29.35 O HETATM 2955 O HOH A 504 -21.200 11.475 4.902 1.00 12.13 O HETATM 2956 O HOH A 505 -1.355 7.891 -31.619 1.00 24.03 O HETATM 2957 O HOH A 506 -28.986 1.281 -11.502 1.00 25.10 O HETATM 2958 O HOH A 507 8.351 19.282 -13.436 1.00 24.00 O HETATM 2959 O HOH A 508 -16.415 -3.890 8.929 1.00 28.18 O HETATM 2960 O HOH A 509 9.827 6.151 -10.747 1.00 24.54 O HETATM 2961 O HOH A 510 -24.472 9.446 -7.892 1.00 28.17 O HETATM 2962 O HOH A 511 -12.623 -17.427 -11.408 1.00 29.54 O HETATM 2963 O HOH A 512 -2.202 8.375 -24.622 1.00 29.22 O HETATM 2964 O HOH A 513 -26.229 12.481 -8.677 1.00 26.53 O HETATM 2965 O HOH A 514 -7.596 -5.247 -23.924 1.00 23.94 O HETATM 2966 O HOH A 515 -31.662 4.388 -10.102 1.00 28.57 O HETATM 2967 O HOH A 516 -5.256 6.752 -29.173 1.00 25.09 O HETATM 2968 O HOH A 517 -28.601 1.112 9.787 1.00 24.74 O HETATM 2969 O HOH A 518 -5.786 -11.146 -20.409 1.00 27.80 O HETATM 2970 O HOH A 519 -15.879 -13.421 -7.256 1.00 26.21 O HETATM 2971 O HOH A 520 -20.358 -10.518 -0.175 1.00 35.35 O HETATM 2972 O HOH A 521 -13.084 18.367 -9.964 1.00 28.46 O HETATM 2973 O HOH A 522 -22.776 19.476 -3.004 1.00 25.92 O HETATM 2974 O HOH A 523 -27.202 0.427 -7.532 1.00 30.87 O HETATM 2975 O HOH A 524 -3.318 -10.406 -19.238 1.00 25.10 O HETATM 2976 O HOH A 525 8.054 14.700 -14.875 1.00 28.29 O HETATM 2977 O HOH A 526 -27.318 -1.524 2.151 1.00 28.83 O HETATM 2978 O HOH A 527 -24.096 -6.737 -4.313 1.00 28.50 O HETATM 2979 O HOH A 528 -18.246 -15.725 -10.794 1.00 32.54 O HETATM 2980 O HOH A 529 -18.333 -3.640 14.138 1.00 36.13 O HETATM 2981 O HOH A 530 -8.675 -6.214 3.919 1.00 32.70 O HETATM 2982 O HOH A 531 6.127 16.040 -18.480 1.00 29.45 O HETATM 2983 O HOH A 532 -3.582 4.133 -32.943 1.00 25.97 O HETATM 2984 O HOH A 533 -19.140 22.733 -14.135 1.00 32.90 O HETATM 2985 O HOH A 534 -18.959 20.616 -8.733 1.00 30.91 O HETATM 2986 O HOH A 535 -28.150 6.994 -6.930 1.00 32.39 O HETATM 2987 O HOH A 536 -9.689 -3.875 -25.894 1.00 25.64 O HETATM 2988 O HOH A 537 -28.654 4.423 -3.337 1.00 31.99 O HETATM 2989 O HOH A 538 -24.062 -1.198 -26.432 1.00 28.32 O HETATM 2990 O HOH A 539 -13.742 -5.129 -23.529 1.00 26.04 O HETATM 2991 O HOH A 540 -10.405 -22.625 -14.920 1.00 27.51 O HETATM 2992 O HOH A 541 6.463 -8.668 -6.475 1.00 30.23 O HETATM 2993 O HOH A 542 -28.073 -2.049 4.669 1.00 31.61 O HETATM 2994 O HOH A 543 -24.785 -5.536 -15.768 1.00 33.42 O HETATM 2995 O HOH A 544 -14.602 -11.407 2.071 1.00 30.20 O HETATM 2996 O HOH A 545 -29.094 4.634 -6.431 1.00 34.51 O HETATM 2997 O HOH A 546 -7.049 -13.746 2.721 1.00 36.21 O HETATM 2998 O HOH A 547 -15.210 -9.291 2.712 1.00 32.10 O HETATM 2999 O HOH A 548 -8.145 -12.545 -12.924 1.00 27.99 O HETATM 3000 O HOH A 549 -11.591 9.922 -26.280 1.00 27.19 O HETATM 3001 O HOH A 550 -27.830 17.134 -17.386 1.00 32.03 O HETATM 3002 O HOH A 551 3.824 -3.090 -0.607 1.00 28.39 O HETATM 3003 O HOH A 552 -25.014 -8.051 -6.445 1.00 34.06 O HETATM 3004 O HOH A 553 -17.192 -11.340 0.728 1.00 33.12 O HETATM 3005 O HOH A 554 7.133 -0.644 -9.377 1.00 31.11 O HETATM 3006 O HOH A 555 -12.875 -2.921 9.973 1.00 30.55 O HETATM 3007 O HOH A 556 -14.395 -3.002 -23.041 1.00 29.19 O HETATM 3008 O HOH A 557 -23.363 -11.095 -13.382 1.00 34.81 O HETATM 3009 O HOH A 558 -16.979 -17.463 -12.787 1.00 34.44 O HETATM 3010 O HOH A 559 -0.819 -10.894 -2.287 1.00 26.48 O HETATM 3011 O HOH A 560 -8.406 0.402 10.397 1.00 32.26 O HETATM 3012 O HOH A 561 -22.408 -14.951 -15.143 1.00 38.26 O HETATM 3013 O HOH A 562 -26.488 -3.432 -15.072 1.00 33.02 O HETATM 3014 O HOH A 563 -14.600 22.928 -1.519 1.00 31.42 O HETATM 3015 O HOH A 564 -25.165 17.237 -14.505 1.00 30.54 O HETATM 3016 O HOH A 565 2.407 8.497 -23.130 1.00 32.80 O HETATM 3017 O HOH A 566 -3.772 -10.820 0.987 1.00 30.92 O HETATM 3018 O HOH A 567 -5.193 -10.052 5.107 1.00 35.05 O HETATM 3019 O HOH A 568 -18.347 0.077 -23.048 1.00 31.27 O HETATM 3020 O HOH A 569 -11.095 -18.445 -7.381 1.00 32.30 O HETATM 3021 O HOH A 570 5.370 10.570 -23.042 1.00 34.23 O HETATM 3022 O HOH A 571 -13.153 -17.046 -8.835 1.00 35.13 O HETATM 3023 O HOH A 572 -24.058 -4.040 -3.938 1.00 22.13 O HETATM 3024 O HOH A 573 -7.102 15.974 0.559 1.00 23.11 O HETATM 3025 O HOH A 574 -20.273 -7.121 4.957 1.00 25.13 O HETATM 3026 O HOH A 575 1.572 -3.986 -0.066 1.00 28.52 O HETATM 3027 O HOH A 576 -24.199 -1.198 5.081 1.00 26.87 O HETATM 3028 O HOH A 577 -11.828 20.556 -3.538 1.00 30.60 O HETATM 3029 O HOH A 578 -4.685 -16.943 -8.295 1.00 35.62 O HETATM 3030 O HOH A 579 -1.617 -13.765 -14.025 1.00 33.40 O HETATM 3031 O HOH A 580 -27.022 15.482 -15.175 1.00 38.99 O HETATM 3032 O HOH A 581 -11.427 15.303 -9.840 1.00 16.51 O HETATM 3033 O HOH A 582 -24.287 6.163 -2.301 1.00 17.33 O HETATM 3034 O HOH A 583 -4.908 10.026 3.167 1.00 20.63 O HETATM 3035 O HOH A 584 -20.083 11.802 -8.124 1.00 17.73 O HETATM 3036 O HOH A 585 6.568 2.404 -24.481 1.00 17.99 O HETATM 3037 O HOH A 586 10.209 17.972 -11.909 1.00 35.77 O HETATM 3038 O HOH A 587 -19.545 12.191 -5.866 1.00 27.36 O HETATM 3039 O HOH A 588 -26.828 14.189 -10.356 1.00 35.30 O HETATM 3040 O HOH A 589 -25.637 0.120 -28.881 1.00 34.54 O HETATM 3041 O HOH A 590 0.318 3.915 -29.642 1.00 38.51 O HETATM 3042 O HOH A 591 9.970 14.576 -13.441 1.00 40.18 O HETATM 3043 O HOH A 592 -25.348 -6.974 -11.204 1.00 40.02 O HETATM 3044 O HOH A 593 -12.263 11.469 8.365 1.00 27.39 O HETATM 3045 O HOH A 594 7.920 1.432 -5.554 1.00 32.27 O HETATM 3046 O HOH A 595 -22.397 -8.505 -3.017 1.00 39.40 O HETATM 3047 O HOH A 596 -33.072 5.088 -7.922 1.00 34.62 O HETATM 3048 O HOH A 597 -26.677 9.788 -9.419 1.00 37.55 O HETATM 3049 O HOH A 598 -8.228 -15.376 1.243 1.00 38.22 O HETATM 3050 O HOH A 599 -11.134 3.381 -26.257 1.00 27.66 O HETATM 3051 O HOH A 600 -19.257 2.029 -24.892 1.00 32.47 O HETATM 3052 O HOH A 601 -3.740 -4.334 -25.801 1.00 31.57 O HETATM 3053 O HOH A 602 -28.704 8.079 -8.820 1.00 35.33 O HETATM 3054 O HOH A 603 -11.492 -17.862 -4.763 1.00 38.29 O HETATM 3055 O HOH A 604 -20.456 27.572 -2.078 1.00 40.26 O CONECT 256 2740 CONECT 602 2741 CONECT 2702 2703 2704 2705 2706 CONECT 2703 2702 CONECT 2704 2702 CONECT 2705 2702 2740 CONECT 2706 2702 2707 CONECT 2707 2706 2708 2709 2710 CONECT 2708 2707 CONECT 2709 2707 CONECT 2710 2707 2711 CONECT 2711 2710 2712 CONECT 2712 2711 2713 2714 2730 CONECT 2713 2712 2718 CONECT 2714 2712 2715 2716 2731 CONECT 2715 2714 2732 CONECT 2716 2714 2717 2718 2733 CONECT 2717 2716 2734 CONECT 2718 2713 2716 2719 2735 CONECT 2719 2718 2720 2729 CONECT 2720 2719 2721 2736 CONECT 2721 2720 2722 CONECT 2722 2721 2723 2729 CONECT 2723 2722 2724 2725 CONECT 2724 2723 CONECT 2725 2723 2726 2737 CONECT 2726 2725 2727 2728 CONECT 2727 2726 2738 2739 CONECT 2728 2726 2729 CONECT 2729 2719 2722 2728 CONECT 2730 2712 CONECT 2731 2714 CONECT 2732 2715 CONECT 2733 2716 CONECT 2734 2717 CONECT 2735 2718 CONECT 2736 2720 CONECT 2737 2725 CONECT 2738 2727 CONECT 2739 2727 CONECT 2740 256 2705 2753 2755 CONECT 2740 2756 2760 CONECT 2741 602 2742 CONECT 2742 2741 2745 CONECT 2743 2744 2747 2751 CONECT 2744 2743 2745 CONECT 2745 2742 2744 2746 CONECT 2746 2745 2747 CONECT 2747 2743 2746 2748 CONECT 2748 2747 2749 CONECT 2749 2748 2750 CONECT 2750 2749 2751 CONECT 2751 2743 2750 CONECT 2753 2740 CONECT 2755 2740 CONECT 2756 2740 CONECT 2760 2740 END