USER MOD reduce.3.24.130724 H: found=0, std=0, add=1333, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXIDOREDUCTASE 06-JAN-16 5HF0 TITLE STAPHYLOCOCCUS AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH BETA- TITLE 2 NADPH, CYCLIC ALPHA-NADPH ANOMER AND 3'-(3-(2,4-DIAMINO-6- TITLE 3 ETHYLPYRIMIDIN-5-YL)PROP-2-YN-1-YL)-4'-METHOXY-[1,1'-BIPHENYL]-4- TITLE 4 CARBOXYLIC ACID (UCP1106) COMPND MOL_ID: 1; COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; COMPND 3 CHAIN: X; COMPND 4 SYNONYM: DHFR; COMPND 5 EC: 1.5.1.3; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 3 ORGANISM_TAXID: 1280; SOURCE 4 ATCC: 43300; SOURCE 5 GENE: FOLA; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET-41A(+) KEYWDS OXIDOREDUCTASE, DIHYDROFOLATE REDUCTASE, NADPH, ZWITTERION, KEYWDS 2 ANTIBIOTICS EXPDTA X-RAY DIFFRACTION AUTHOR A.C.ANDERSON,S.M.REEVE REVDAT 1 18-JAN-17 5HF0 0 JRNL AUTH A.C.ANDERSON,S.M.REEVE JRNL TITL STAPHYLOCOCCUS AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH JRNL TITL 2 NADPH AND 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL) JRNL TITL 3 PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1106) JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 2.25 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.9_1692 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.25 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 32.65 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.360 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 10059 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.170 REMARK 3 R VALUE (WORKING SET) : 0.168 REMARK 3 FREE R VALUE : 0.217 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.120 REMARK 3 FREE R VALUE TEST SET COUNT : 515 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 32.6495 - 3.5625 1.00 2526 140 0.1510 0.1832 REMARK 3 2 3.5625 - 2.8281 1.00 2377 117 0.1739 0.1982 REMARK 3 3 2.8281 - 2.4708 1.00 2309 147 0.1817 0.2657 REMARK 3 4 2.4708 - 2.2449 1.00 2332 111 0.1883 0.2947 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) : 0.210 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 21.360 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 : 0.008 1476 REMARK 3 ANGLE : 1.912 2029 REMARK 3 CHIRALITY : 0.131 226 REMARK 3 PLANARITY : 0.006 243 REMARK 3 DIHEDRAL : 17.236 645 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 5HF0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-JAN-16. REMARK 100 THE DEPOSITION ID IS D_1000216881. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 24-MAR-15 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.5 REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL7-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.979 REMARK 200 MONOCHROMATOR : SIDE SCATTERING I-BEAM BENT REMARK 200 SINGLE CRYSTAL; ASYMMETRIC CUT REMARK 200 4.9650 DEG REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 10059 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.240 REMARK 200 RESOLUTION RANGE LOW (A) : 32.650 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 14.00 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 68.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.24 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 REMARK 200 DATA REDUNDANCY IN SHELL : 14.20 REMARK 200 R MERGE FOR SHELL (I) : 0.14400 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: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.57 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.65 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1 M MES, PH 5.5, 0.2M SODIUM REMARK 280 ACETATE, 17% PEG 10,000 AND 1% GAMMA-BUTYROLACTONE, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+5/6 REMARK 290 6555 X-Y,X,Z+1/6 REMARK 290 7555 Y,X,-Z+1/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+2/3 REMARK 290 10555 -Y,-X,-Z+5/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+1/6 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 35.97700 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 71.95400 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 53.96550 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 89.94250 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 17.98850 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 35.97700 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 71.95400 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 89.94250 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 53.96550 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 17.98850 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: X 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 LEU X 158 REMARK 465 GLU X 159 REMARK 465 HIS X 160 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 O HOH X 309 O HOH X 363 2.09 REMARK 500 OD1 ASN X 18 O HOH X 301 2.11 REMARK 500 OBD U06 X 202 O HOH X 302 2.11 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 HIS X 38 -157.63 -128.93 REMARK 500 ASN X 69 99.81 -161.92 REMARK 500 ASP X 142 -159.85 -162.77 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GOL X 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue U06 X 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue XNP X 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue NAP X 204 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4XEC RELATED DB: PDB REMARK 900 RELATED ID: 5HF2 RELATED DB: PDB DBREF 5HF0 X 1 157 UNP P0A017 DYR_STAAU 2 158 SEQADV 5HF0 LEU X 158 UNP P0A017 EXPRESSION TAG SEQADV 5HF0 GLU X 159 UNP P0A017 EXPRESSION TAG SEQADV 5HF0 HIS X 160 UNP P0A017 EXPRESSION TAG SEQRES 1 X 160 THR LEU SER ILE LEU VAL ALA HIS ASP LEU GLN ARG VAL SEQRES 2 X 160 ILE GLY PHE GLU ASN GLN LEU PRO TRP HIS LEU PRO ASN SEQRES 3 X 160 ASP LEU LYS HIS VAL LYS LYS LEU SER THR GLY HIS THR SEQRES 4 X 160 LEU VAL MET GLY ARG LYS THR PHE GLU SER ILE GLY LYS SEQRES 5 X 160 PRO LEU PRO ASN ARG ARG ASN VAL VAL LEU THR SER ASP SEQRES 6 X 160 THR SER PHE ASN VAL GLU GLY VAL ASP VAL ILE HIS SER SEQRES 7 X 160 ILE GLU ASP ILE TYR GLN LEU PRO GLY HIS VAL PHE ILE SEQRES 8 X 160 PHE GLY GLY GLN THR LEU PHE GLU GLU MET ILE ASP LYS SEQRES 9 X 160 VAL ASP ASP MET TYR ILE THR VAL ILE GLU GLY LYS PHE SEQRES 10 X 160 ARG GLY ASP THR PHE PHE PRO PRO TYR THR PHE GLU ASP SEQRES 11 X 160 TRP GLU VAL ALA SER SER VAL GLU GLY LYS LEU ASP GLU SEQRES 12 X 160 LYS ASN THR ILE PRO HIS THR PHE LEU HIS LEU ILE ARG SEQRES 13 X 160 LYS LEU GLU HIS HET GOL X 201 6 HET U06 X 202 30 HET XNP X 203 48 HET NAP X 204 48 HETNAM GOL GLYCEROL HETNAM U06 4-[3-[3-[2,4-BIS(AZANYL)-6-ETHYL-PYRIMIDIN-5-YL]PROP-2- HETNAM 2 U06 YNYL]-4-METHOXY-PHENYL]BENZOIC ACID HETNAM XNP TRICYCLIC NADPH HETNAM NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL HETSYN U06 3'-(3-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)PROP-2-YN-1- HETSYN 2 U06 YL)-4'-METHOXY-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID; HETSYN 3 U06 UCP1106 HETSYN NAP 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE FORMUL 2 GOL C3 H8 O3 FORMUL 3 U06 C23 H22 N4 O3 FORMUL 4 XNP C21 H30 N7 O17 P3 FORMUL 5 NAP C21 H28 N7 O17 P3 FORMUL 6 HOH *71(H2 O) HELIX 1 AA1 LEU X 24 THR X 36 1 13 HELIX 2 AA2 ARG X 44 GLY X 51 1 8 HELIX 3 AA3 SER X 78 LEU X 85 5 8 HELIX 4 AA4 GLY X 94 ILE X 102 1 9 SHEET 1 AA1 8 VAL X 73 ILE X 76 0 SHEET 2 AA1 8 ARG X 58 LEU X 62 1 N ASN X 59 O ASP X 74 SHEET 3 AA1 8 THR X 39 GLY X 43 1 N LEU X 40 O VAL X 60 SHEET 4 AA1 8 VAL X 89 GLY X 93 1 O PHE X 90 N THR X 39 SHEET 5 AA1 8 LEU X 2 HIS X 8 1 N SER X 3 O ILE X 91 SHEET 6 AA1 8 ASP X 107 ILE X 113 1 O TYR X 109 N ILE X 4 SHEET 7 AA1 8 HIS X 149 ARG X 156 -1 O LEU X 152 N ILE X 110 SHEET 8 AA1 8 TRP X 131 GLU X 138 -1 N GLU X 132 O ILE X 155 SHEET 1 AA2 2 VAL X 13 GLY X 15 0 SHEET 2 AA2 2 THR X 121 PHE X 122 -1 O THR X 121 N ILE X 14 CISPEP 1 GLY X 93 GLY X 94 0 -1.22 SITE *** AC1 4 ARG X 12 TYR X 126 GLU X 132 HOH X 313 SITE *** AC2 16 LEU X 5 VAL X 6 ALA X 7 ASN X 18 SITE *** AC2 16 GLN X 19 LEU X 20 ASP X 27 LEU X 28 SITE *** AC2 16 VAL X 31 SER X 49 PHE X 92 THR X 111 SITE *** AC2 16 XNP X 203 NAP X 204 HOH X 302 HOH X 339 SITE *** AC3 27 ILE X 14 ASN X 18 GLN X 19 LEU X 20 SITE *** AC3 27 GLY X 43 ARG X 44 LYS X 45 THR X 46 SITE *** AC3 27 LEU X 62 THR X 63 SER X 64 SER X 67 SITE *** AC3 27 GLY X 94 GLN X 95 THR X 96 LEU X 97 SITE *** AC3 27 GLU X 100 THR X 121 U06 X 202 NAP X 204 SITE *** AC3 27 HOH X 301 HOH X 303 HOH X 304 HOH X 305 SITE *** AC3 27 HOH X 317 HOH X 335 HOH X 350 SITE *** AC4 31 VAL X 6 ALA X 7 ILE X 14 ASN X 18 SITE *** AC4 31 GLN X 19 LEU X 20 GLY X 43 ARG X 44 SITE *** AC4 31 LYS X 45 THR X 46 LEU X 62 THR X 63 SITE *** AC4 31 SER X 64 HIS X 77 ILE X 79 PHE X 92 SITE *** AC4 31 GLY X 94 GLN X 95 THR X 96 LEU X 97 SITE *** AC4 31 GLU X 100 THR X 121 U06 X 202 XNP X 203 SITE *** AC4 31 HOH X 303 HOH X 304 HOH X 305 HOH X 317 SITE *** AC4 31 HOH X 350 HOH X 352 HOH X 357 CRYST1 79.098 79.098 107.931 90.00 90.00 120.00 P 61 2 2 12 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 0.012643 0.007299 0.000000 0.00000 SCALE2 0.000000 0.014598 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009265 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 121 THR OG1A: rot -140:sc= -0.0269 USER MOD Set 1.2: X 121 THR OG1B: rot 71:sc= 1.2 USER MOD Set 1.3: X 204 NAP O3DA: rot 32:sc= 1.28 USER MOD Set 2.1: X 109 TYR OH : rot -44:sc= 1.45 USER MOD Set 2.2: X 153 HIS : no HD1:sc= 2.25 K(o=3.7,f=-6.1!) USER MOD Set 3.1: X 3 SER OG : rot -41:sc= 2.06 USER MOD Set 3.2: X 88 HIS : no HD1:sc= 1.46 K(o=3.5,f=-7.3!) USER MOD Set 4.1: X 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: X 59 ASN : amide:sc= 0.769 K(o=0.77,f=-4.4!) USER MOD Set 5.1: X 8 HIS : no HE2:sc= 0.94 K(o=1.9,f=-7.9!) USER MOD Set 5.2: X 126 TYR OH : rot -3:sc= 0.956 USER MOD Single : X 1 THR N :NH3+ 163:sc= 0.0729 (180deg=0) USER MOD Single : X 1 THR OG1 : rot 180:sc= 0.0288 USER MOD Single : X 11 GLN : amide:sc= 1.47 K(o=1.5,f=0.58) USER MOD Single : X 18 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3.6!) USER MOD Single : X 19 GLN A: amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : X 19 GLN B: amide:sc= 0.936 X(o=0.94,f=0.68) USER MOD Single : X 23 HIS A: no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : X 23 HIS B: no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 26 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.3!) USER MOD Single : X 29 LYS NZ :NH3+ -110:sc= -2.22! (180deg=-4.4!) USER MOD Single : X 30 HIS : no HE2:sc= 1.37 K(o=1.4,f=-1.4) USER MOD Single : X 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 35 SER OG : rot -57:sc= 1.25 USER MOD Single : X 36 THR OG1 : rot 86:sc= 1.95 USER MOD Single : X 38 HIS : no HE2:sc= 3.85 K(o=3.8,f=-9.1!) USER MOD Single : X 39 THR OG1 : rot 172:sc= 2.39 USER MOD Single : X 45 LYS NZ :NH3+ 155:sc= 1.35 (180deg=0.767) USER MOD Single : X 46 THR OG1 : rot 39:sc= 1.23 USER MOD Single : X 49 SER OG : rot -55:sc= 1.12 USER MOD Single : X 52 LYS NZ :NH3+ 146:sc= -0.107 (180deg=-0.449) USER MOD Single : X 56 ASN : amide:sc= -0.0764 X(o=-0.076,f=0) USER MOD Single : X 63 THR OG1 : rot 79:sc= 1.31 USER MOD Single : X 64 SER OG : rot -45:sc= 1.12 USER MOD Single : X 66 THR OG1 : rot 86:sc= 0.307 USER MOD Single : X 67 SER OG : rot 180:sc= 0 USER MOD Single : X 69 ASN : amide:sc= -0.0406 X(o=-0.041,f=-0.34) USER MOD Single : X 77 HIS : no HE2:sc= 0.919 K(o=0.92,f=-2.9!) USER MOD Single : X 78 SER OG : rot 180:sc= 0.0976 USER MOD Single : X 83 TYR OH : rot 180:sc= 0 USER MOD Single : X 84 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.28) USER MOD Single : X 95 GLN : amide:sc= 1.05 K(o=1,f=-4.4!) USER MOD Single : X 96 THR OG1 : rot 132:sc= 1.07 USER MOD Single : X 101 MET CE :methyl -174:sc= -0.0575 (180deg=-0.0838) USER MOD Single : X 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 108 MET CE :methyl -116:sc= -0.477 (180deg=-0.741) USER MOD Single : X 111 THR OG1 : rot 146:sc= 2.29 USER MOD Single : X 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 127 THR OG1 : rot 180:sc= 0.0731 USER MOD Single : X 135 SER OG : rot 88:sc= 1.66 USER MOD Single : X 136 SER OG : rot -73:sc= 1.24 USER MOD Single : X 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 144 LYS NZ :NH3+ -170:sc= -0.0179 (180deg=-0.124) USER MOD Single : X 145 ASN : amide:sc= 1.28 K(o=1.3,f=-6.1!) USER MOD Single : X 146 THR OG1 : rot -88:sc= 0.0109 USER MOD Single : X 149 HIS : no HE2:sc= 0.067 K(o=0.067,f=-7.3!) USER MOD Single : X 150 THR OG1 : rot 109:sc= 2.02 USER MOD Single : X 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 201 GOL O1 : rot 180:sc= -0.346 USER MOD Single : X 201 GOL O2 : rot 140:sc= 0.117 USER MOD Single : X 201 GOL O3 : rot 60:sc= 1.56 USER MOD Single : X 204 NAP O2DA: rot 18:sc= 0.457 USER MOD Single : X 204 NAP O3BA: rot 152:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N THR X 1 38.212 43.384 94.823 1.00 36.09 N ATOM 2 CA THR X 1 37.980 44.286 95.951 1.00 38.80 C ATOM 3 C THR X 1 38.616 43.735 97.240 1.00 28.54 C ATOM 4 O THR X 1 38.423 42.570 97.599 1.00 27.31 O ATOM 5 CB THR X 1 36.471 44.521 96.178 1.00 37.21 C ATOM 6 OG1 THR X 1 35.836 44.770 94.921 1.00 55.05 O ATOM 7 CG2 THR X 1 36.219 45.709 97.115 1.00 16.07 C ATOM 0 H1 THR X 1 37.647 43.580 94.164 1.00 36.09 H new ATOM 0 H2 THR X 1 39.048 43.479 94.534 1.00 36.09 H new ATOM 0 H3 THR X 1 38.082 42.543 95.084 1.00 36.09 H new ATOM 0 HA THR X 1 38.398 45.133 95.731 1.00 38.80 H new ATOM 0 HB THR X 1 36.102 43.725 96.593 1.00 37.21 H new ATOM 0 HG1 THR X 1 35.014 44.897 95.042 1.00 55.05 H new ATOM 0 HG21 THR X 1 35.264 45.829 97.236 1.00 16.07 H new ATOM 0 HG22 THR X 1 36.634 45.537 97.975 1.00 16.07 H new ATOM 0 HG23 THR X 1 36.599 46.513 96.728 1.00 16.07 H new ATOM 8 N LEU X 2 39.384 44.582 97.916 1.00 24.43 N ATOM 9 CA LEU X 2 40.053 44.218 99.158 1.00 22.69 C ATOM 10 C LEU X 2 39.454 45.016 100.331 1.00 17.95 C ATOM 11 O LEU X 2 39.627 46.235 100.419 1.00 18.67 O ATOM 12 CB LEU X 2 41.567 44.464 99.027 1.00 15.23 C ATOM 13 CG LEU X 2 42.506 44.006 100.151 1.00 23.94 C ATOM 14 CD1 LEU X 2 42.412 42.506 100.375 1.00 18.27 C ATOM 15 CD2 LEU X 2 43.948 44.404 99.864 1.00 21.33 C ATOM 0 H LEU X 2 39.532 45.391 97.664 1.00 24.43 H new ATOM 0 HA LEU X 2 39.915 43.275 99.337 1.00 22.69 H new ATOM 0 HB2 LEU X 2 41.862 44.034 98.209 1.00 15.23 H new ATOM 0 HB3 LEU X 2 41.698 45.418 98.910 1.00 15.23 H new ATOM 0 HG LEU X 2 42.220 44.454 100.962 1.00 23.94 H new ATOM 0 HD11 LEU X 2 43.015 42.247 101.089 1.00 18.27 H new ATOM 0 HD12 LEU X 2 41.503 42.271 100.619 1.00 18.27 H new ATOM 0 HD13 LEU X 2 42.658 42.041 99.560 1.00 18.27 H new ATOM 0 HD21 LEU X 2 44.518 44.103 100.589 1.00 21.33 H new ATOM 0 HD22 LEU X 2 44.238 43.994 99.034 1.00 21.33 H new ATOM 0 HD23 LEU X 2 44.008 45.369 99.786 1.00 21.33 H new ATOM 16 N SER X 3 38.754 44.321 101.223 1.00 16.37 N ATOM 17 CA SER X 3 38.061 44.953 102.354 1.00 16.96 C ATOM 18 C SER X 3 38.529 44.466 103.731 1.00 23.15 C ATOM 19 O SER X 3 38.971 43.328 103.891 1.00 17.85 O ATOM 20 CB SER X 3 36.556 44.704 102.246 1.00 11.64 C ATOM 21 OG SER X 3 36.081 45.049 100.954 1.00 14.75 O ATOM 0 H SER X 3 38.665 43.466 101.193 1.00 16.37 H new ATOM 0 HA SER X 3 38.276 45.897 102.294 1.00 16.96 H new ATOM 0 HB2 SER X 3 36.364 43.771 102.427 1.00 11.64 H new ATOM 0 HB3 SER X 3 36.088 45.225 102.917 1.00 11.64 H new ATOM 0 HG SER X 3 36.451 45.759 100.700 1.00 14.75 H new ATOM 22 N ILE X 4 38.401 45.326 104.736 1.00 12.38 N ATOM 23 CA ILE X 4 38.508 44.873 106.114 1.00 9.56 C ATOM 24 C ILE X 4 37.114 44.515 106.641 1.00 9.93 C ATOM 25 O ILE X 4 36.123 45.150 106.299 1.00 10.39 O ATOM 26 CB ILE X 4 39.207 45.941 106.997 1.00 14.28 C ATOM 27 CG1 ILE X 4 40.728 45.719 106.954 1.00 15.22 C ATOM 28 CG2 ILE X 4 38.708 45.897 108.448 1.00 10.39 C ATOM 29 CD1 ILE X 4 41.543 46.758 107.736 1.00 12.07 C ATOM 0 H ILE X 4 38.253 46.168 104.641 1.00 12.38 H new ATOM 0 HA ILE X 4 39.061 44.077 106.150 1.00 9.56 H new ATOM 0 HB ILE X 4 38.990 46.817 106.642 1.00 14.28 H new ATOM 0 HG12 ILE X 4 40.925 44.837 107.307 1.00 15.22 H new ATOM 0 HG13 ILE X 4 41.019 45.726 106.029 1.00 15.22 H new ATOM 0 HG21 ILE X 4 39.165 46.576 108.968 1.00 10.39 H new ATOM 0 HG22 ILE X 4 37.753 46.064 108.467 1.00 10.39 H new ATOM 0 HG23 ILE X 4 38.890 45.023 108.827 1.00 10.39 H new ATOM 0 HD11 ILE X 4 42.488 46.551 107.661 1.00 12.07 H new ATOM 0 HD12 ILE X 4 41.376 47.641 107.372 1.00 12.07 H new ATOM 0 HD13 ILE X 4 41.281 46.739 108.670 1.00 12.07 H new ATOM 30 N LEU X 5 37.041 43.455 107.434 1.00 11.40 N ATOM 31 CA LEU X 5 35.809 43.042 108.082 1.00 9.41 C ATOM 32 C LEU X 5 36.096 42.853 109.571 1.00 12.80 C ATOM 33 O LEU X 5 36.853 41.955 109.945 1.00 12.19 O ATOM 34 CB LEU X 5 35.291 41.752 107.450 1.00 11.65 C ATOM 35 CG LEU X 5 34.005 41.133 107.984 1.00 18.03 C ATOM 36 CD1 LEU X 5 32.869 42.163 107.970 1.00 15.88 C ATOM 37 CD2 LEU X 5 33.649 39.891 107.148 1.00 12.52 C ATOM 0 H LEU X 5 37.714 42.950 107.612 1.00 11.40 H new ATOM 0 HA LEU X 5 35.121 43.717 107.969 1.00 9.41 H new ATOM 0 HB2 LEU X 5 35.164 41.920 106.503 1.00 11.65 H new ATOM 0 HB3 LEU X 5 35.991 41.086 107.528 1.00 11.65 H new ATOM 0 HG LEU X 5 34.136 40.857 108.905 1.00 18.03 H new ATOM 0 HD11 LEU X 5 32.058 41.755 108.312 1.00 15.88 H new ATOM 0 HD12 LEU X 5 33.110 42.919 108.528 1.00 15.88 H new ATOM 0 HD13 LEU X 5 32.719 42.467 107.061 1.00 15.88 H new ATOM 0 HD21 LEU X 5 32.830 39.496 107.487 1.00 12.52 H new ATOM 0 HD22 LEU X 5 33.523 40.149 106.222 1.00 12.52 H new ATOM 0 HD23 LEU X 5 34.369 39.243 107.208 1.00 12.52 H new ATOM 38 N VAL X 6 35.517 43.706 110.415 1.00 11.36 N ATOM 39 CA VAL X 6 35.864 43.718 111.840 1.00 10.89 C ATOM 40 C VAL X 6 34.700 44.197 112.733 1.00 13.30 C ATOM 41 O VAL X 6 33.861 45.009 112.318 1.00 11.20 O ATOM 42 CB VAL X 6 37.116 44.620 112.083 1.00 11.67 C ATOM 43 CG1 VAL X 6 36.806 46.059 111.749 1.00 8.73 C ATOM 44 CG2 VAL X 6 37.627 44.513 113.528 1.00 10.95 C ATOM 0 H VAL X 6 34.923 44.284 110.186 1.00 11.36 H new ATOM 0 HA VAL X 6 36.061 42.801 112.087 1.00 10.89 H new ATOM 0 HB VAL X 6 37.819 44.301 111.496 1.00 11.67 H new ATOM 0 HG11 VAL X 6 37.593 46.604 111.905 1.00 8.73 H new ATOM 0 HG12 VAL X 6 36.546 46.126 110.817 1.00 8.73 H new ATOM 0 HG13 VAL X 6 36.079 46.372 112.310 1.00 8.73 H new ATOM 0 HG21 VAL X 6 38.402 45.085 113.640 1.00 10.95 H new ATOM 0 HG22 VAL X 6 36.928 44.792 114.140 1.00 10.95 H new ATOM 0 HG23 VAL X 6 37.874 43.594 113.717 1.00 10.95 H new ATOM 45 N ALA X 7 34.644 43.684 113.955 1.00 7.59 N ATOM 46 CA ALA X 7 33.791 44.257 114.988 1.00 9.36 C ATOM 47 C ALA X 7 34.687 44.809 116.097 1.00 13.32 C ATOM 48 O ALA X 7 35.537 44.085 116.602 1.00 12.09 O ATOM 49 CB ALA X 7 32.833 43.206 115.540 1.00 10.73 C ATOM 0 H ALA X 7 35.096 42.998 114.208 1.00 7.59 H new ATOM 0 HA ALA X 7 33.253 44.971 114.613 1.00 9.36 H new ATOM 0 HB1 ALA X 7 32.274 43.605 116.225 1.00 10.73 H new ATOM 0 HB2 ALA X 7 32.273 42.869 114.823 1.00 10.73 H new ATOM 0 HB3 ALA X 7 33.341 42.474 115.924 1.00 10.73 H new ATOM 50 N HIS X 8 34.533 46.080 116.466 1.00 10.42 N ATOM 51 CA HIS X 8 35.328 46.606 117.582 1.00 9.18 C ATOM 52 C HIS X 8 34.478 47.468 118.493 1.00 13.02 C ATOM 53 O HIS X 8 33.418 47.961 118.079 1.00 9.63 O ATOM 54 CB HIS X 8 36.577 47.364 117.078 1.00 8.05 C ATOM 55 CG HIS X 8 36.318 48.714 116.479 1.00 7.75 C ATOM 56 ND1 HIS X 8 35.815 49.777 117.204 1.00 9.95 N ATOM 57 CD2 HIS X 8 36.566 49.198 115.238 1.00 5.47 C ATOM 58 CE1 HIS X 8 35.734 50.841 116.430 1.00 8.79 C ATOM 59 NE2 HIS X 8 36.183 50.517 115.229 1.00 10.61 N ATOM 0 H HIS X 8 33.993 46.640 116.099 1.00 10.42 H new ATOM 0 HA HIS X 8 35.645 45.852 118.104 1.00 9.18 H new ATOM 0 HB2 HIS X 8 37.193 47.470 117.820 1.00 8.05 H new ATOM 0 HB3 HIS X 8 37.024 46.814 116.415 1.00 8.05 H new ATOM 0 HD1 HIS X 8 35.589 49.749 118.033 1.00 9.95 H new ATOM 0 HD2 HIS X 8 36.929 48.725 114.524 1.00 5.47 H new ATOM 0 HE1 HIS X 8 35.416 51.677 116.685 1.00 8.79 H new ATOM 60 N ASP X 9 34.908 47.606 119.748 1.00 7.60 N ATOM 61 CA ASP X 9 34.087 48.315 120.725 1.00 10.81 C ATOM 62 C ASP X 9 34.489 49.800 120.750 1.00 11.19 C ATOM 63 O ASP X 9 35.226 50.259 119.866 1.00 8.97 O ATOM 64 CB ASP X 9 34.164 47.634 122.117 1.00 6.07 C ATOM 65 CG ASP X 9 35.420 47.998 122.926 1.00 10.41 C ATOM 66 OD1 ASP X 9 36.334 48.709 122.434 1.00 10.23 O ATOM 67 OD2 ASP X 9 35.482 47.552 124.095 1.00 11.13 O ATOM 0 H ASP X 9 35.655 47.303 120.048 1.00 7.60 H new ATOM 0 HA ASP X 9 33.154 48.272 120.464 1.00 10.81 H new ATOM 0 HB2 ASP X 9 33.378 47.879 122.630 1.00 6.07 H new ATOM 0 HB3 ASP X 9 34.136 46.672 121.998 1.00 6.07 H new ATOM 68 N LEU X 10 34.008 50.547 121.738 1.00 9.94 N ATOM 69 CA LEU X 10 34.227 51.998 121.763 1.00 15.08 C ATOM 70 C LEU X 10 35.699 52.370 121.891 1.00 15.93 C ATOM 71 O LEU X 10 36.091 53.498 121.576 1.00 11.16 O ATOM 72 CB LEU X 10 33.430 52.639 122.904 1.00 9.75 C ATOM 73 CG LEU X 10 31.918 52.552 122.701 1.00 14.69 C ATOM 74 CD1 LEU X 10 31.156 52.959 123.955 1.00 14.77 C ATOM 75 CD2 LEU X 10 31.517 53.393 121.486 1.00 10.36 C ATOM 0 H LEU X 10 33.555 50.240 122.401 1.00 9.94 H new ATOM 0 HA LEU X 10 33.915 52.341 120.911 1.00 15.08 H new ATOM 0 HB2 LEU X 10 33.664 52.205 123.739 1.00 9.75 H new ATOM 0 HB3 LEU X 10 33.687 53.571 122.987 1.00 9.75 H new ATOM 0 HG LEU X 10 31.678 51.628 122.529 1.00 14.69 H new ATOM 0 HD11 LEU X 10 30.202 52.892 123.790 1.00 14.77 H new ATOM 0 HD12 LEU X 10 31.399 52.371 124.687 1.00 14.77 H new ATOM 0 HD13 LEU X 10 31.380 53.874 124.187 1.00 14.77 H new ATOM 0 HD21 LEU X 10 30.557 53.338 121.357 1.00 10.36 H new ATOM 0 HD22 LEU X 10 31.770 54.317 121.634 1.00 10.36 H new ATOM 0 HD23 LEU X 10 31.969 53.057 120.696 1.00 10.36 H new ATOM 76 N GLN X 11 36.518 51.422 122.335 1.00 9.01 N ATOM 77 CA GLN X 11 37.935 51.707 122.523 1.00 14.44 C ATOM 78 C GLN X 11 38.782 50.879 121.556 1.00 11.83 C ATOM 79 O GLN X 11 39.992 50.750 121.718 1.00 12.94 O ATOM 80 CB GLN X 11 38.314 51.467 123.991 1.00 10.95 C ATOM 81 CG GLN X 11 37.747 52.595 124.881 1.00 24.79 C ATOM 82 CD GLN X 11 37.896 52.346 126.375 1.00 39.91 C ATOM 83 OE1 GLN X 11 37.938 51.198 126.834 1.00 26.83 O ATOM 84 NE2 GLN X 11 37.985 53.431 127.143 1.00 27.82 N ATOM 0 H GLN X 11 36.278 50.620 122.530 1.00 9.01 H new ATOM 0 HA GLN X 11 38.114 52.638 122.320 1.00 14.44 H new ATOM 0 HB2 GLN X 11 37.968 50.610 124.285 1.00 10.95 H new ATOM 0 HB3 GLN X 11 39.279 51.430 124.081 1.00 10.95 H new ATOM 0 HG2 GLN X 11 38.194 53.426 124.656 1.00 24.79 H new ATOM 0 HG3 GLN X 11 36.806 52.714 124.675 1.00 24.79 H new ATOM 0 HE21 GLN X 11 37.952 54.213 126.787 1.00 27.82 H new ATOM 0 HE22 GLN X 11 38.076 53.349 127.994 1.00 27.82 H new ATOM 85 N ARG X 12 38.105 50.344 120.544 1.00 13.38 N ATOM 86 CA ARG X 12 38.686 49.529 119.477 1.00 10.43 C ATOM 87 C ARG X 12 39.190 48.158 119.931 1.00 9.38 C ATOM 88 O ARG X 12 40.033 47.566 119.270 1.00 12.60 O ATOM 89 CB ARG X 12 39.819 50.284 118.782 1.00 5.27 C ATOM 90 CG ARG X 12 39.352 51.194 117.655 1.00 10.17 C ATOM 91 CD ARG X 12 40.513 52.047 117.125 1.00 15.05 C ATOM 92 NE ARG X 12 40.983 52.927 118.187 1.00 13.21 N ATOM 93 CZ ARG X 12 42.069 52.713 118.926 1.00 21.39 C ATOM 94 NH1 ARG X 12 42.848 51.638 118.701 1.00 7.55 N ATOM 95 NH2 ARG X 12 42.374 53.583 119.889 1.00 12.37 N ATOM 0 H ARG X 12 37.256 50.450 120.455 1.00 13.38 H new ATOM 0 HA ARG X 12 37.957 49.362 118.859 1.00 10.43 H new ATOM 0 HB2 ARG X 12 40.293 50.816 119.440 1.00 5.27 H new ATOM 0 HB3 ARG X 12 40.453 49.642 118.426 1.00 5.27 H new ATOM 0 HG2 ARG X 12 38.983 50.660 116.935 1.00 10.17 H new ATOM 0 HG3 ARG X 12 38.640 51.771 117.974 1.00 10.17 H new ATOM 0 HD2 ARG X 12 41.235 51.476 116.820 1.00 15.05 H new ATOM 0 HD3 ARG X 12 40.222 52.570 116.361 1.00 15.05 H new ATOM 0 HE ARG X 12 40.525 53.637 118.348 1.00 13.21 H new ATOM 0 HH11 ARG X 12 42.645 51.083 118.076 1.00 7.55 H new ATOM 0 HH12 ARG X 12 43.548 51.506 119.182 1.00 7.55 H new ATOM 0 HH21 ARG X 12 41.872 54.268 120.024 1.00 12.37 H new ATOM 0 HH22 ARG X 12 43.072 53.459 120.375 1.00 12.37 H new ATOM 96 N VAL X 13 38.678 47.653 121.047 1.00 8.88 N ATOM 97 CA VAL X 13 38.919 46.261 121.410 1.00 12.86 C ATOM 98 C VAL X 13 38.279 45.331 120.379 1.00 13.06 C ATOM 99 O VAL X 13 37.133 45.530 119.984 1.00 12.97 O ATOM 100 CB VAL X 13 38.346 45.921 122.804 1.00 15.48 C ATOM 101 CG1 VAL X 13 38.317 44.406 123.023 1.00 8.68 C ATOM 102 CG2 VAL X 13 39.139 46.625 123.902 1.00 9.77 C ATOM 0 H VAL X 13 38.193 48.094 121.604 1.00 8.88 H new ATOM 0 HA VAL X 13 39.880 46.134 121.431 1.00 12.86 H new ATOM 0 HB VAL X 13 37.432 46.244 122.846 1.00 15.48 H new ATOM 0 HG11 VAL X 13 37.955 44.213 123.902 1.00 8.68 H new ATOM 0 HG12 VAL X 13 37.760 43.992 122.346 1.00 8.68 H new ATOM 0 HG13 VAL X 13 39.218 44.052 122.960 1.00 8.68 H new ATOM 0 HG21 VAL X 13 38.764 46.399 124.768 1.00 9.77 H new ATOM 0 HG22 VAL X 13 40.065 46.339 123.867 1.00 9.77 H new ATOM 0 HG23 VAL X 13 39.092 47.585 123.770 1.00 9.77 H new ATOM 103 N ILE X 14 39.019 44.324 119.941 1.00 9.80 N ATOM 104 CA ILE X 14 38.457 43.303 119.062 1.00 11.93 C ATOM 105 C ILE X 14 38.498 41.912 119.692 1.00 15.27 C ATOM 106 O ILE X 14 37.829 40.998 119.220 1.00 13.71 O ATOM 107 CB ILE X 14 39.187 43.261 117.694 1.00 13.81 C ATOM 108 CG1 ILE X 14 40.679 42.956 117.891 1.00 13.28 C ATOM 109 CG2 ILE X 14 39.000 44.589 116.938 1.00 5.25 C ATOM 110 CD1 ILE X 14 41.419 42.625 116.606 1.00 10.70 C ATOM 0 H ILE X 14 39.848 44.211 120.139 1.00 9.80 H new ATOM 0 HA ILE X 14 37.530 43.553 118.923 1.00 11.93 H new ATOM 0 HB ILE X 14 38.797 42.551 117.161 1.00 13.81 H new ATOM 0 HG12 ILE X 14 41.103 43.721 118.309 1.00 13.28 H new ATOM 0 HG13 ILE X 14 40.769 42.211 118.506 1.00 13.28 H new ATOM 0 HG21 ILE X 14 39.462 44.545 116.086 1.00 5.25 H new ATOM 0 HG22 ILE X 14 38.055 44.744 116.785 1.00 5.25 H new ATOM 0 HG23 ILE X 14 39.365 45.316 117.466 1.00 5.25 H new ATOM 0 HD11 ILE X 14 42.351 42.445 116.806 1.00 10.70 H new ATOM 0 HD12 ILE X 14 41.020 41.842 116.195 1.00 10.70 H new ATOM 0 HD13 ILE X 14 41.360 43.376 115.995 1.00 10.70 H new ATOM 111 N GLY X 15 39.270 41.739 120.762 1.00 14.93 N ATOM 112 CA GLY X 15 39.401 40.414 121.342 1.00 15.06 C ATOM 113 C GLY X 15 39.891 40.354 122.779 1.00 14.81 C ATOM 114 O GLY X 15 40.500 41.299 123.291 1.00 12.32 O ATOM 0 H GLY X 15 39.715 42.361 121.156 1.00 14.93 H new ATOM 0 HA2 GLY X 15 38.537 39.975 121.296 1.00 15.06 H new ATOM 0 HA3 GLY X 15 40.011 39.899 120.791 1.00 15.06 H new ATOM 115 N PHE X 16 39.606 39.232 123.431 1.00 8.97 N ATOM 116 CA PHE X 16 40.144 38.947 124.750 1.00 16.98 C ATOM 117 C PHE X 16 40.392 37.460 124.886 1.00 17.45 C ATOM 118 O PHE X 16 39.468 36.663 124.745 1.00 16.00 O ATOM 119 CB PHE X 16 39.196 39.412 125.860 1.00 10.11 C ATOM 120 CG PHE X 16 39.779 39.277 127.252 1.00 16.95 C ATOM 121 CD1 PHE X 16 40.898 40.015 127.625 1.00 10.30 C ATOM 122 CD2 PHE X 16 39.197 38.430 128.190 1.00 13.80 C ATOM 123 CE1 PHE X 16 41.433 39.906 128.917 1.00 17.18 C ATOM 124 CE2 PHE X 16 39.728 38.308 129.479 1.00 20.07 C ATOM 125 CZ PHE X 16 40.847 39.047 129.842 1.00 18.13 C ATOM 0 H PHE X 16 39.094 38.615 123.119 1.00 8.97 H new ATOM 0 HA PHE X 16 40.977 39.434 124.844 1.00 16.98 H new ATOM 0 HB2 PHE X 16 38.959 40.340 125.705 1.00 10.11 H new ATOM 0 HB3 PHE X 16 38.375 38.898 125.810 1.00 10.11 H new ATOM 0 HD1 PHE X 16 41.296 40.588 127.010 1.00 10.30 H new ATOM 0 HD2 PHE X 16 38.443 37.937 127.957 1.00 13.80 H new ATOM 0 HE1 PHE X 16 42.179 40.408 129.155 1.00 17.18 H new ATOM 0 HE2 PHE X 16 39.332 37.732 130.093 1.00 20.07 H new ATOM 0 HZ PHE X 16 41.202 38.968 130.698 1.00 18.13 H new ATOM 126 N GLU X 17 41.640 37.106 125.174 1.00 16.27 N ATOM 127 CA GLU X 17 42.041 35.721 125.387 1.00 15.94 C ATOM 128 C GLU X 17 41.513 34.804 124.317 1.00 19.43 C ATOM 129 O GLU X 17 40.724 33.903 124.605 1.00 24.91 O ATOM 130 CB GLU X 17 41.572 35.237 126.749 1.00 12.64 C ATOM 131 CG GLU X 17 42.392 35.832 127.874 1.00 22.25 C ATOM 132 CD GLU X 17 41.882 35.421 129.227 1.00 23.10 C ATOM 133 OE1 GLU X 17 40.706 35.010 129.321 1.00 35.77 O ATOM 134 OE2 GLU X 17 42.656 35.517 130.194 1.00 25.77 O ATOM 0 H GLU X 17 42.285 37.670 125.252 1.00 16.27 H new ATOM 0 HA GLU X 17 43.010 35.698 125.346 1.00 15.94 H new ATOM 0 HB2 GLU X 17 40.639 35.471 126.871 1.00 12.64 H new ATOM 0 HB3 GLU X 17 41.629 34.269 126.785 1.00 12.64 H new ATOM 0 HG2 GLU X 17 43.317 35.554 127.780 1.00 22.25 H new ATOM 0 HG3 GLU X 17 42.379 36.799 127.805 1.00 22.25 H new ATOM 135 N ASN X 18 41.933 35.074 123.085 1.00 20.66 N ATOM 136 CA ASN X 18 41.576 34.261 121.924 1.00 35.21 C ATOM 137 C ASN X 18 40.102 34.250 121.554 1.00 25.31 C ATOM 138 O ASN X 18 39.721 33.523 120.656 1.00 32.55 O ATOM 139 CB ASN X 18 42.018 32.811 122.120 1.00 32.94 C ATOM 140 CG ASN X 18 43.508 32.651 122.079 1.00 42.04 C ATOM 141 OD1 ASN X 18 44.230 33.583 121.714 1.00 35.07 O ATOM 142 ND2 ASN X 18 43.991 31.460 122.457 1.00 48.53 N ATOM 0 H ASN X 18 42.440 35.743 122.896 1.00 20.66 H new ATOM 0 HA ASN X 18 42.046 34.691 121.193 1.00 35.21 H new ATOM 0 HB2 ASN X 18 41.685 32.487 122.972 1.00 32.94 H new ATOM 0 HB3 ASN X 18 41.618 32.259 121.430 1.00 32.94 H new ATOM 0 HD21 ASN X 18 44.839 31.319 122.452 1.00 48.53 H new ATOM 0 HD22 ASN X 18 43.453 30.837 122.705 1.00 48.53 H new ATOM 143 N GLN X 19 39.260 35.028 122.221 1.00 21.41 N ATOM 144 CA AGLN X 19 37.820 35.001 121.986 0.45 22.21 C ATOM 145 CA BGLN X 19 37.858 34.989 121.838 0.55 22.23 C ATOM 146 C GLN X 19 37.266 36.393 121.694 1.00 26.05 C ATOM 147 O GLN X 19 37.929 37.390 121.951 1.00 21.95 O ATOM 148 CB AGLN X 19 37.096 34.411 123.199 0.45 22.93 C ATOM 149 CB BGLN X 19 37.064 34.140 122.838 0.55 24.80 C ATOM 150 CG AGLN X 19 37.507 32.991 123.554 0.45 27.14 C ATOM 151 CG BGLN X 19 37.504 32.650 122.903 0.55 28.10 C ATOM 152 CD AGLN X 19 36.838 32.494 124.817 0.45 27.85 C ATOM 153 CD BGLN X 19 37.345 31.883 121.576 0.55 32.30 C ATOM 154 OE1AGLN X 19 35.859 33.076 125.285 0.45 26.99 O ATOM 155 OE1BGLN X 19 36.416 32.134 120.803 0.55 29.40 O ATOM 156 NE2AGLN X 19 37.375 31.418 125.388 0.45 32.61 N ATOM 157 NE2BGLN X 19 38.253 30.935 121.322 0.55 14.54 N ATOM 0 H AGLN X 19 39.507 35.589 122.825 0.45 21.41 H new ATOM 0 H BGLN X 19 39.465 35.559 122.865 0.55 21.41 H new ATOM 0 HA AGLN X 19 37.666 34.444 121.207 0.45 22.23 H new ATOM 0 HA BGLN X 19 37.794 34.573 120.964 0.55 22.23 H new ATOM 0 HB2AGLN X 19 37.257 34.983 123.966 0.45 24.80 H new ATOM 0 HB2BGLN X 19 37.153 34.531 123.721 0.55 24.80 H new ATOM 0 HB3AGLN X 19 36.141 34.426 123.029 0.45 24.80 H new ATOM 0 HB3BGLN X 19 36.123 34.179 122.604 0.55 24.80 H new ATOM 0 HG2AGLN X 19 37.284 32.399 122.819 0.45 28.10 H new ATOM 0 HG2BGLN X 19 38.433 32.610 123.178 0.55 28.10 H new ATOM 0 HG3AGLN X 19 38.470 32.954 123.665 0.45 28.10 H new ATOM 0 HG3BGLN X 19 36.986 32.200 123.588 0.55 28.10 H new ATOM 0 HE21AGLN X 19 38.059 31.038 125.031 0.45 14.54 H new ATOM 0 HE21BGLN X 19 38.888 30.786 121.883 0.55 14.54 H new ATOM 0 HE22AGLN X 19 37.038 31.103 126.113 0.45 14.54 H new ATOM 0 HE22BGLN X 19 38.202 30.474 120.598 0.55 14.54 H new ATOM 158 N LEU X 20 36.038 36.461 121.187 1.00 22.09 N ATOM 159 CA LEU X 20 35.339 37.732 121.071 1.00 19.40 C ATOM 160 C LEU X 20 34.798 38.066 122.446 1.00 20.46 C ATOM 161 O LEU X 20 34.235 37.193 123.110 1.00 20.74 O ATOM 162 CB LEU X 20 34.182 37.661 120.064 1.00 18.35 C ATOM 163 CG LEU X 20 34.461 37.297 118.614 1.00 24.40 C ATOM 164 CD1 LEU X 20 33.142 37.017 117.900 1.00 16.55 C ATOM 165 CD2 LEU X 20 35.208 38.442 117.955 1.00 20.39 C ATOM 0 H LEU X 20 35.594 35.781 120.905 1.00 22.09 H new ATOM 0 HA LEU X 20 35.952 38.412 120.749 1.00 19.40 H new ATOM 0 HB2 LEU X 20 33.541 37.018 120.405 1.00 18.35 H new ATOM 0 HB3 LEU X 20 33.744 38.526 120.066 1.00 18.35 H new ATOM 0 HG LEU X 20 35.009 36.498 118.563 1.00 24.40 H new ATOM 0 HD11 LEU X 20 33.318 36.785 116.975 1.00 16.55 H new ATOM 0 HD12 LEU X 20 32.687 36.280 118.337 1.00 16.55 H new ATOM 0 HD13 LEU X 20 32.581 37.808 117.933 1.00 16.55 H new ATOM 0 HD21 LEU X 20 35.391 38.219 117.029 1.00 20.39 H new ATOM 0 HD22 LEU X 20 34.667 39.246 117.993 1.00 20.39 H new ATOM 0 HD23 LEU X 20 36.045 38.594 118.422 1.00 20.39 H new ATOM 166 N PRO X 21 34.946 39.327 122.873 1.00 25.97 N ATOM 167 CA PRO X 21 34.503 39.737 124.216 1.00 14.92 C ATOM 168 C PRO X 21 32.987 39.759 124.379 1.00 16.38 C ATOM 169 O PRO X 21 32.499 39.717 125.500 1.00 21.80 O ATOM 170 CB PRO X 21 35.079 41.161 124.360 1.00 11.54 C ATOM 171 CG PRO X 21 36.188 41.244 123.319 1.00 19.55 C ATOM 172 CD PRO X 21 35.685 40.397 122.174 1.00 16.96 C ATOM 0 HA PRO X 21 34.807 39.111 124.892 1.00 14.92 H new ATOM 0 HB2 PRO X 21 34.398 41.833 124.202 1.00 11.54 H new ATOM 0 HB3 PRO X 21 35.424 41.312 125.254 1.00 11.54 H new ATOM 0 HG2 PRO X 21 36.345 42.160 123.040 1.00 19.55 H new ATOM 0 HG3 PRO X 21 37.028 40.906 123.668 1.00 19.55 H new ATOM 0 HD2 PRO X 21 35.112 40.901 121.576 1.00 16.96 H new ATOM 0 HD3 PRO X 21 36.413 40.044 121.639 1.00 16.96 H new ATOM 173 N TRP X 22 32.253 39.833 123.275 1.00 19.75 N ATOM 174 CA TRP X 22 30.797 40.000 123.316 1.00 18.71 C ATOM 175 C TRP X 22 30.098 38.849 122.618 1.00 20.19 C ATOM 176 O TRP X 22 30.702 38.158 121.802 1.00 14.11 O ATOM 177 CB TRP X 22 30.381 41.315 122.639 1.00 16.93 C ATOM 178 CG TRP X 22 31.120 41.514 121.356 1.00 15.04 C ATOM 179 CD1 TRP X 22 30.856 40.924 120.141 1.00 18.00 C ATOM 180 CD2 TRP X 22 32.284 42.320 121.167 1.00 12.44 C ATOM 181 NE1 TRP X 22 31.790 41.319 119.212 1.00 15.13 N ATOM 182 CE2 TRP X 22 32.671 42.181 119.810 1.00 14.99 C ATOM 183 CE3 TRP X 22 33.034 43.146 122.007 1.00 8.60 C ATOM 184 CZ2 TRP X 22 33.770 42.855 119.279 1.00 11.78 C ATOM 185 CZ3 TRP X 22 34.124 43.808 121.480 1.00 8.06 C ATOM 186 CH2 TRP X 22 34.482 43.658 120.125 1.00 13.56 C ATOM 0 H TRP X 22 32.580 39.788 122.481 1.00 19.75 H new ATOM 0 HA TRP X 22 30.534 40.017 124.250 1.00 18.71 H new ATOM 0 HB2 TRP X 22 29.426 41.307 122.468 1.00 16.93 H new ATOM 0 HB3 TRP X 22 30.556 42.059 123.236 1.00 16.93 H new ATOM 0 HD1 TRP X 22 30.149 40.343 119.973 1.00 18.00 H new ATOM 0 HE1 TRP X 22 31.817 41.066 118.390 1.00 15.13 H new ATOM 0 HE3 TRP X 22 32.804 43.248 122.902 1.00 8.60 H new ATOM 0 HZ2 TRP X 22 34.009 42.762 118.385 1.00 11.78 H new ATOM 0 HZ3 TRP X 22 34.631 44.362 122.028 1.00 8.06 H new ATOM 0 HH2 TRP X 22 35.222 44.117 119.798 1.00 13.56 H new ATOM 187 N HIS X 23 28.824 38.658 122.950 1.00 34.44 N ATOM 188 CA AHIS X 23 27.983 37.677 122.270 0.46 28.57 C ATOM 189 CA BHIS X 23 27.976 37.681 122.279 0.54 28.59 C ATOM 190 C HIS X 23 26.942 38.421 121.457 1.00 25.25 C ATOM 191 O HIS X 23 25.990 38.966 122.007 1.00 31.70 O ATOM 192 CB AHIS X 23 27.310 36.724 123.265 0.46 25.88 C ATOM 193 CB BHIS X 23 27.288 36.765 123.290 0.54 25.84 C ATOM 194 CG AHIS X 23 26.337 35.776 122.631 0.46 33.89 C ATOM 195 CG BHIS X 23 28.228 36.135 124.268 0.54 30.46 C ATOM 196 ND1AHIS X 23 24.982 35.809 122.896 0.46 31.85 N ATOM 197 ND1BHIS X 23 28.911 34.969 123.996 0.54 29.08 N ATOM 198 CD2AHIS X 23 26.520 34.776 121.736 0.46 27.33 C ATOM 199 CD2BHIS X 23 28.603 36.513 125.513 0.54 25.36 C ATOM 200 CE1AHIS X 23 24.375 34.868 122.194 0.46 20.80 C ATOM 201 CE1BHIS X 23 29.663 34.652 125.035 0.54 36.00 C ATOM 202 NE2AHIS X 23 25.285 34.228 121.482 0.46 23.79 N ATOM 203 NE2BHIS X 23 29.497 35.574 125.968 0.54 45.30 N ATOM 0 H AHIS X 23 28.423 39.093 123.575 0.46 34.44 H new ATOM 0 H BHIS X 23 28.426 39.095 123.575 0.54 34.44 H new ATOM 0 HA AHIS X 23 28.536 37.133 121.688 0.46 28.59 H new ATOM 0 HA BHIS X 23 28.524 37.125 121.703 0.54 28.59 H new ATOM 0 HB2AHIS X 23 27.995 36.213 123.724 0.46 25.84 H new ATOM 0 HB2BHIS X 23 26.622 37.276 123.777 0.54 25.84 H new ATOM 0 HB3AHIS X 23 26.847 37.247 123.938 0.46 25.84 H new ATOM 0 HB3BHIS X 23 26.815 36.066 122.812 0.54 25.84 H new ATOM 0 HD2AHIS X 23 27.329 34.510 121.363 0.46 25.36 H new ATOM 0 HD2BHIS X 23 28.311 37.266 125.973 0.54 25.36 H new ATOM 0 HE1AHIS X 23 23.463 34.687 122.200 0.46 36.00 H new ATOM 0 HE1BHIS X 23 30.215 33.907 125.099 0.54 36.00 H new ATOM 0 HE2AHIS X 23 25.130 33.574 120.946 0.46 45.30 H new ATOM 0 HE2BHIS X 23 29.886 35.584 126.735 0.54 45.30 H new ATOM 204 N LEU X 24 27.129 38.452 120.147 1.00 23.50 N ATOM 205 CA LEU X 24 26.231 39.229 119.314 1.00 22.57 C ATOM 206 C LEU X 24 25.859 38.499 118.022 1.00 25.77 C ATOM 207 O LEU X 24 26.517 38.667 116.994 1.00 23.41 O ATOM 208 CB LEU X 24 26.870 40.582 119.009 1.00 19.44 C ATOM 209 CG LEU X 24 25.927 41.696 118.566 1.00 22.56 C ATOM 210 CD1 LEU X 24 24.807 41.880 119.583 1.00 17.95 C ATOM 211 CD2 LEU X 24 26.711 42.988 118.388 1.00 17.33 C ATOM 0 H LEU X 24 27.756 38.039 119.728 1.00 23.50 H new ATOM 0 HA LEU X 24 25.404 39.361 119.803 1.00 22.57 H new ATOM 0 HB2 LEU X 24 27.341 40.881 119.802 1.00 19.44 H new ATOM 0 HB3 LEU X 24 27.536 40.454 118.315 1.00 19.44 H new ATOM 0 HG LEU X 24 25.525 41.454 117.717 1.00 22.56 H new ATOM 0 HD11 LEU X 24 24.216 42.591 119.289 1.00 17.95 H new ATOM 0 HD12 LEU X 24 24.304 41.054 119.664 1.00 17.95 H new ATOM 0 HD13 LEU X 24 25.187 42.112 120.445 1.00 17.95 H new ATOM 0 HD21 LEU X 24 26.110 43.695 118.106 1.00 17.33 H new ATOM 0 HD22 LEU X 24 27.126 43.233 119.230 1.00 17.33 H new ATOM 0 HD23 LEU X 24 27.397 42.860 117.714 1.00 17.33 H new ATOM 212 N PRO X 25 24.790 37.683 118.072 1.00 32.55 N ATOM 213 CA PRO X 25 24.381 36.868 116.918 1.00 23.17 C ATOM 214 C PRO X 25 24.129 37.670 115.638 1.00 18.23 C ATOM 215 O PRO X 25 24.525 37.193 114.579 1.00 32.83 O ATOM 216 CB PRO X 25 23.094 36.194 117.409 1.00 27.47 C ATOM 217 CG PRO X 25 23.290 36.067 118.888 1.00 25.76 C ATOM 218 CD PRO X 25 24.029 37.336 119.289 1.00 25.32 C ATOM 0 HA PRO X 25 25.083 36.251 116.658 1.00 23.17 H new ATOM 0 HB2 PRO X 25 22.312 36.728 117.199 1.00 27.47 H new ATOM 0 HB3 PRO X 25 22.966 35.327 116.992 1.00 27.47 H new ATOM 0 HG2 PRO X 25 22.441 35.992 119.351 1.00 25.76 H new ATOM 0 HG3 PRO X 25 23.804 35.275 119.109 1.00 25.76 H new ATOM 0 HD2 PRO X 25 23.415 38.043 119.542 1.00 25.32 H new ATOM 0 HD3 PRO X 25 24.615 37.185 120.047 1.00 25.32 H new ATOM 219 N ASN X 26 23.521 38.853 115.715 1.00 21.72 N ATOM 220 CA ASN X 26 23.278 39.638 114.500 1.00 21.43 C ATOM 221 C ASN X 26 24.557 39.977 113.731 1.00 26.75 C ATOM 222 O ASN X 26 24.525 40.116 112.498 1.00 20.53 O ATOM 223 CB ASN X 26 22.518 40.934 114.818 1.00 23.21 C ATOM 224 CG ASN X 26 21.049 40.674 115.174 1.00 40.43 C ATOM 225 OD1 ASN X 26 20.533 39.573 114.955 1.00 34.06 O ATOM 226 ND2 ASN X 26 20.377 41.684 115.731 1.00 26.62 N ATOM 0 H ASN X 26 23.245 39.215 116.445 1.00 21.72 H new ATOM 0 HA ASN X 26 22.736 39.071 113.930 1.00 21.43 H new ATOM 0 HB2 ASN X 26 22.952 41.388 115.557 1.00 23.21 H new ATOM 0 HB3 ASN X 26 22.563 41.529 114.053 1.00 23.21 H new ATOM 0 HD21 ASN X 26 19.552 41.582 115.952 1.00 26.62 H new ATOM 0 HD22 ASN X 26 20.769 42.437 115.869 1.00 26.62 H new ATOM 227 N ASP X 27 25.680 40.091 114.439 1.00 16.85 N ATOM 228 CA ASP X 27 26.920 40.453 113.764 1.00 24.08 C ATOM 229 C ASP X 27 27.513 39.252 113.038 1.00 15.77 C ATOM 230 O ASP X 27 28.097 39.392 111.955 1.00 14.48 O ATOM 231 CB ASP X 27 27.943 41.045 114.740 1.00 16.47 C ATOM 232 CG ASP X 27 29.166 41.617 114.019 1.00 24.24 C ATOM 233 OD1 ASP X 27 29.007 42.434 113.079 1.00 19.34 O ATOM 234 OD2 ASP X 27 30.287 41.227 114.371 1.00 25.96 O ATOM 0 H ASP X 27 25.744 39.966 115.288 1.00 16.85 H new ATOM 0 HA ASP X 27 26.704 41.136 113.110 1.00 24.08 H new ATOM 0 HB2 ASP X 27 27.521 41.745 115.263 1.00 16.47 H new ATOM 0 HB3 ASP X 27 28.229 40.358 115.363 1.00 16.47 H new ATOM 235 N LEU X 28 27.369 38.075 113.634 1.00 19.37 N ATOM 236 CA LEU X 28 27.786 36.851 112.963 1.00 22.00 C ATOM 237 C LEU X 28 27.000 36.685 111.673 1.00 18.93 C ATOM 238 O LEU X 28 27.553 36.263 110.666 1.00 18.29 O ATOM 239 CB LEU X 28 27.596 35.613 113.857 1.00 26.40 C ATOM 240 CG LEU X 28 28.297 35.481 115.223 1.00 41.87 C ATOM 241 CD1 LEU X 28 28.743 34.039 115.465 1.00 49.86 C ATOM 242 CD2 LEU X 28 29.461 36.418 115.384 1.00 30.45 C ATOM 0 H LEU X 28 27.036 37.963 114.419 1.00 19.37 H new ATOM 0 HA LEU X 28 28.733 36.926 112.766 1.00 22.00 H new ATOM 0 HB2 LEU X 28 26.644 35.529 114.021 1.00 26.40 H new ATOM 0 HB3 LEU X 28 27.862 34.843 113.330 1.00 26.40 H new ATOM 0 HG LEU X 28 27.640 35.733 115.891 1.00 41.87 H new ATOM 0 HD11 LEU X 28 29.181 33.976 116.328 1.00 49.86 H new ATOM 0 HD12 LEU X 28 27.969 33.454 115.452 1.00 49.86 H new ATOM 0 HD13 LEU X 28 29.362 33.770 114.768 1.00 49.86 H new ATOM 0 HD21 LEU X 28 29.861 36.290 116.259 1.00 30.45 H new ATOM 0 HD22 LEU X 28 30.121 36.235 114.697 1.00 30.45 H new ATOM 0 HD23 LEU X 28 29.153 37.334 115.300 1.00 30.45 H new ATOM 243 N LYS X 29 25.711 37.017 111.701 1.00 17.49 N ATOM 244 CA LYS X 29 24.909 36.950 110.478 1.00 20.50 C ATOM 245 C LYS X 29 25.368 37.981 109.457 1.00 20.50 C ATOM 246 O LYS X 29 25.445 37.688 108.265 1.00 20.27 O ATOM 247 CB LYS X 29 23.423 37.145 110.787 1.00 27.81 C ATOM 248 CG LYS X 29 22.812 36.048 111.658 1.00 47.22 C ATOM 249 CD LYS X 29 21.379 36.338 112.137 1.00 54.26 C ATOM 250 CE LYS X 29 20.508 37.097 111.119 1.00 51.47 C ATOM 251 NZ LYS X 29 20.723 36.712 109.689 1.00 71.80 N ATOM 0 H LYS X 29 25.287 37.279 112.402 1.00 17.49 H new ATOM 0 HA LYS X 29 25.035 36.067 110.098 1.00 20.50 H new ATOM 0 HB2 LYS X 29 23.305 37.999 111.231 1.00 27.81 H new ATOM 0 HB3 LYS X 29 22.933 37.190 109.951 1.00 27.81 H new ATOM 0 HG2 LYS X 29 22.812 35.217 111.158 1.00 47.22 H new ATOM 0 HG3 LYS X 29 23.379 35.913 112.433 1.00 47.22 H new ATOM 0 HD2 LYS X 29 20.946 35.497 112.353 1.00 54.26 H new ATOM 0 HD3 LYS X 29 21.422 36.854 112.957 1.00 54.26 H new ATOM 0 HE2 LYS X 29 19.575 36.953 111.342 1.00 51.47 H new ATOM 0 HE3 LYS X 29 20.679 38.047 111.213 1.00 51.47 H new ATOM 0 HZ1 LYS X 29 21.125 37.379 109.259 1.00 71.80 H new ATOM 0 HZ2 LYS X 29 21.234 35.984 109.651 1.00 71.80 H new ATOM 0 HZ3 LYS X 29 19.938 36.543 109.306 1.00 71.80 H new ATOM 252 N HIS X 30 25.687 39.179 109.940 1.00 20.43 N ATOM 253 CA HIS X 30 26.289 40.222 109.118 1.00 17.92 C ATOM 254 C HIS X 30 27.562 39.686 108.466 1.00 19.55 C ATOM 255 O HIS X 30 27.750 39.829 107.259 1.00 20.12 O ATOM 256 CB HIS X 30 26.574 41.468 109.969 1.00 12.63 C ATOM 257 CG HIS X 30 27.175 42.611 109.208 1.00 19.59 C ATOM 258 ND1 HIS X 30 26.470 43.346 108.276 1.00 20.85 N ATOM 259 CD2 HIS X 30 28.407 43.173 109.276 1.00 18.01 C ATOM 260 CE1 HIS X 30 27.247 44.297 107.787 1.00 16.06 C ATOM 261 NE2 HIS X 30 28.425 44.219 108.383 1.00 25.90 N ATOM 0 H HIS X 30 25.559 39.410 110.759 1.00 20.43 H new ATOM 0 HA HIS X 30 25.673 40.481 108.415 1.00 17.92 H new ATOM 0 HB2 HIS X 30 25.745 41.765 110.377 1.00 12.63 H new ATOM 0 HB3 HIS X 30 27.174 41.223 110.691 1.00 12.63 H new ATOM 0 HD1 HIS X 30 25.652 43.207 108.049 1.00 20.85 H new ATOM 0 HD2 HIS X 30 29.108 42.902 109.824 1.00 18.01 H new ATOM 0 HE1 HIS X 30 27.006 44.915 107.135 1.00 16.06 H new ATOM 262 N VAL X 31 28.421 39.033 109.246 1.00 17.84 N ATOM 263 CA VAL X 31 29.643 38.436 108.685 1.00 18.08 C ATOM 264 C VAL X 31 29.336 37.380 107.612 1.00 20.04 C ATOM 265 O VAL X 31 29.947 37.366 106.542 1.00 19.30 O ATOM 266 CB VAL X 31 30.508 37.792 109.787 1.00 17.48 C ATOM 267 CG1 VAL X 31 31.674 37.034 109.179 1.00 18.04 C ATOM 268 CG2 VAL X 31 31.024 38.857 110.717 1.00 16.61 C ATOM 0 H VAL X 31 28.321 38.923 110.093 1.00 17.84 H new ATOM 0 HA VAL X 31 30.132 39.164 108.271 1.00 18.08 H new ATOM 0 HB VAL X 31 29.958 37.166 110.284 1.00 17.48 H new ATOM 0 HG11 VAL X 31 32.206 36.637 109.886 1.00 18.04 H new ATOM 0 HG12 VAL X 31 31.337 36.335 108.596 1.00 18.04 H new ATOM 0 HG13 VAL X 31 32.225 37.645 108.665 1.00 18.04 H new ATOM 0 HG21 VAL X 31 31.567 38.448 111.408 1.00 16.61 H new ATOM 0 HG22 VAL X 31 31.562 39.491 110.217 1.00 16.61 H new ATOM 0 HG23 VAL X 31 30.276 39.320 111.126 1.00 16.61 H new ATOM 269 N LYS X 32 28.377 36.509 107.910 1.00 22.03 N ATOM 270 CA LYS X 32 27.923 35.468 106.983 1.00 25.00 C ATOM 271 C LYS X 32 27.363 36.022 105.673 1.00 20.50 C ATOM 272 O LYS X 32 27.717 35.535 104.599 1.00 23.51 O ATOM 273 CB LYS X 32 26.866 34.591 107.662 1.00 22.32 C ATOM 274 CG LYS X 32 26.386 33.411 106.827 1.00 27.84 C ATOM 275 CD LYS X 32 25.356 32.597 107.598 1.00 28.24 C ATOM 276 CE LYS X 32 25.011 31.301 106.874 1.00 46.32 C ATOM 277 NZ LYS X 32 24.122 30.425 107.696 1.00 55.27 N ATOM 0 H LYS X 32 27.965 36.503 108.665 1.00 22.03 H new ATOM 0 HA LYS X 32 28.706 34.943 106.754 1.00 25.00 H new ATOM 0 HB2 LYS X 32 27.230 34.255 108.496 1.00 22.32 H new ATOM 0 HB3 LYS X 32 26.102 35.144 107.888 1.00 22.32 H new ATOM 0 HG2 LYS X 32 25.998 33.731 105.997 1.00 27.84 H new ATOM 0 HG3 LYS X 32 27.139 32.848 106.589 1.00 27.84 H new ATOM 0 HD2 LYS X 32 25.699 32.393 108.482 1.00 28.24 H new ATOM 0 HD3 LYS X 32 24.551 33.124 107.721 1.00 28.24 H new ATOM 0 HE2 LYS X 32 24.574 31.507 106.033 1.00 46.32 H new ATOM 0 HE3 LYS X 32 25.827 30.823 106.660 1.00 46.32 H new ATOM 0 HZ1 LYS X 32 23.941 29.679 107.245 1.00 55.27 H new ATOM 0 HZ2 LYS X 32 24.532 30.218 108.459 1.00 55.27 H new ATOM 0 HZ3 LYS X 32 23.364 30.855 107.874 1.00 55.27 H new ATOM 278 N LYS X 33 26.490 37.026 105.757 1.00 22.16 N ATOM 279 CA LYS X 33 25.936 37.662 104.560 1.00 19.99 C ATOM 280 C LYS X 33 27.033 38.281 103.703 1.00 27.98 C ATOM 281 O LYS X 33 27.045 38.118 102.483 1.00 24.56 O ATOM 282 CB LYS X 33 24.921 38.749 104.917 1.00 26.33 C ATOM 283 CG LYS X 33 23.583 38.261 105.449 1.00 52.34 C ATOM 284 CD LYS X 33 22.641 39.443 105.713 1.00 55.88 C ATOM 285 CE LYS X 33 21.469 39.060 106.622 1.00 65.30 C ATOM 286 NZ LYS X 33 20.551 38.053 106.003 1.00 54.55 N ATOM 0 H LYS X 33 26.205 37.354 106.499 1.00 22.16 H new ATOM 0 HA LYS X 33 25.490 36.961 104.059 1.00 19.99 H new ATOM 0 HB2 LYS X 33 25.319 39.333 105.581 1.00 26.33 H new ATOM 0 HB3 LYS X 33 24.758 39.287 104.126 1.00 26.33 H new ATOM 0 HG2 LYS X 33 23.177 37.655 104.810 1.00 52.34 H new ATOM 0 HG3 LYS X 33 23.719 37.760 106.269 1.00 52.34 H new ATOM 0 HD2 LYS X 33 23.141 40.167 106.121 1.00 55.88 H new ATOM 0 HD3 LYS X 33 22.298 39.775 104.869 1.00 55.88 H new ATOM 0 HE2 LYS X 33 21.816 38.704 107.455 1.00 65.30 H new ATOM 0 HE3 LYS X 33 20.964 39.858 106.843 1.00 65.30 H new ATOM 0 HZ1 LYS X 33 19.890 37.866 106.569 1.00 54.55 H new ATOM 0 HZ2 LYS X 33 20.211 38.384 105.250 1.00 54.55 H new ATOM 0 HZ3 LYS X 33 21.005 37.309 105.821 1.00 54.55 H new ATOM 287 N LEU X 34 27.942 39.016 104.336 1.00 22.68 N ATOM 288 CA LEU X 34 28.998 39.681 103.585 1.00 21.80 C ATOM 289 C LEU X 34 29.975 38.708 102.937 1.00 23.63 C ATOM 290 O LEU X 34 30.356 38.907 101.784 1.00 18.46 O ATOM 291 CB LEU X 34 29.785 40.645 104.478 1.00 26.58 C ATOM 292 CG LEU X 34 29.173 42.014 104.758 1.00 26.18 C ATOM 293 CD1 LEU X 34 30.025 42.776 105.765 1.00 15.15 C ATOM 294 CD2 LEU X 34 29.053 42.785 103.458 1.00 17.06 C ATOM 0 H LEU X 34 27.965 39.141 105.187 1.00 22.68 H new ATOM 0 HA LEU X 34 28.547 40.170 102.879 1.00 21.80 H new ATOM 0 HB2 LEU X 34 29.936 40.206 105.330 1.00 26.58 H new ATOM 0 HB3 LEU X 34 30.655 40.785 104.072 1.00 26.58 H new ATOM 0 HG LEU X 34 28.288 41.902 105.139 1.00 26.18 H new ATOM 0 HD11 LEU X 34 29.627 43.644 105.935 1.00 15.15 H new ATOM 0 HD12 LEU X 34 30.073 42.275 106.594 1.00 15.15 H new ATOM 0 HD13 LEU X 34 30.919 42.895 105.408 1.00 15.15 H new ATOM 0 HD21 LEU X 34 28.664 43.656 103.633 1.00 17.06 H new ATOM 0 HD22 LEU X 34 29.933 42.897 103.066 1.00 17.06 H new ATOM 0 HD23 LEU X 34 28.485 42.296 102.843 1.00 17.06 H new ATOM 295 N SER X 35 30.385 37.664 103.662 1.00 16.34 N ATOM 296 CA SER X 35 31.541 36.882 103.214 1.00 20.39 C ATOM 297 C SER X 35 31.211 35.554 102.528 1.00 18.34 C ATOM 298 O SER X 35 32.077 34.982 101.873 1.00 19.52 O ATOM 299 CB SER X 35 32.494 36.621 104.387 1.00 11.67 C ATOM 300 OG SER X 35 31.865 35.887 105.429 1.00 18.13 O ATOM 0 H SER X 35 30.021 37.398 104.394 1.00 16.34 H new ATOM 0 HA SER X 35 31.959 37.433 102.534 1.00 20.39 H new ATOM 0 HB2 SER X 35 33.270 36.132 104.070 1.00 11.67 H new ATOM 0 HB3 SER X 35 32.815 37.467 104.736 1.00 11.67 H new ATOM 0 HG SER X 35 31.186 36.304 105.695 1.00 18.13 H new ATOM 301 N THR X 36 29.985 35.062 102.668 1.00 22.61 N ATOM 302 CA THR X 36 29.579 33.850 101.939 1.00 22.14 C ATOM 303 C THR X 36 29.833 33.981 100.434 1.00 19.21 C ATOM 304 O THR X 36 29.462 34.975 99.810 1.00 19.68 O ATOM 305 CB THR X 36 28.101 33.516 102.184 1.00 25.01 C ATOM 306 OG1 THR X 36 27.961 33.036 103.523 1.00 24.74 O ATOM 307 CG2 THR X 36 27.608 32.422 101.226 1.00 20.43 C ATOM 0 H THR X 36 29.377 35.404 103.171 1.00 22.61 H new ATOM 0 HA THR X 36 30.125 33.125 102.282 1.00 22.14 H new ATOM 0 HB THR X 36 27.576 34.318 102.036 1.00 25.01 H new ATOM 0 HG1 THR X 36 27.869 33.687 104.046 1.00 24.74 H new ATOM 0 HG21 THR X 36 26.673 32.233 101.404 1.00 20.43 H new ATOM 0 HG22 THR X 36 27.707 32.725 100.310 1.00 20.43 H new ATOM 0 HG23 THR X 36 28.131 31.616 101.358 1.00 20.43 H new ATOM 308 N GLY X 37 30.524 32.996 99.867 1.00 23.49 N ATOM 309 CA GLY X 37 30.795 32.992 98.438 1.00 19.60 C ATOM 310 C GLY X 37 32.020 33.800 98.084 1.00 25.92 C ATOM 311 O GLY X 37 32.329 33.988 96.906 1.00 20.25 O ATOM 0 H GLY X 37 30.844 32.322 100.294 1.00 23.49 H new ATOM 0 HA2 GLY X 37 30.915 32.078 98.136 1.00 19.60 H new ATOM 0 HA3 GLY X 37 30.027 33.349 97.964 1.00 19.60 H new ATOM 312 N HIS X 38 32.725 34.287 99.104 1.00 25.00 N ATOM 313 CA HIS X 38 33.908 35.115 98.878 1.00 20.98 C ATOM 314 C HIS X 38 35.088 34.585 99.674 1.00 19.89 C ATOM 315 O HIS X 38 35.104 33.420 100.049 1.00 26.39 O ATOM 316 CB HIS X 38 33.612 36.575 99.238 1.00 17.22 C ATOM 317 CG HIS X 38 32.481 37.159 98.451 1.00 26.08 C ATOM 318 ND1 HIS X 38 32.581 37.445 97.105 1.00 25.59 N ATOM 319 CD2 HIS X 38 31.217 37.487 98.817 1.00 21.96 C ATOM 320 CE1 HIS X 38 31.430 37.939 96.677 1.00 26.21 C ATOM 321 NE2 HIS X 38 30.588 37.974 97.695 1.00 29.28 N ATOM 0 H HIS X 38 32.536 34.150 99.932 1.00 25.00 H new ATOM 0 HA HIS X 38 34.140 35.077 97.937 1.00 20.98 H new ATOM 0 HB2 HIS X 38 33.404 36.633 100.184 1.00 17.22 H new ATOM 0 HB3 HIS X 38 34.410 37.107 99.090 1.00 17.22 H new ATOM 0 HD1 HIS X 38 33.281 37.322 96.621 1.00 25.59 H new ATOM 0 HD2 HIS X 38 30.846 37.399 99.665 1.00 21.96 H new ATOM 0 HE1 HIS X 38 31.245 38.214 95.808 1.00 26.21 H new ATOM 322 N THR X 39 36.072 35.434 99.947 1.00 19.95 N ATOM 323 CA THR X 39 37.285 34.968 100.611 1.00 22.28 C ATOM 324 C THR X 39 37.574 35.683 101.933 1.00 23.68 C ATOM 325 O THR X 39 37.524 36.917 102.010 1.00 17.85 O ATOM 326 CB THR X 39 38.497 35.128 99.675 1.00 22.10 C ATOM 327 OG1 THR X 39 38.282 34.339 98.504 1.00 23.50 O ATOM 328 CG2 THR X 39 39.797 34.687 100.361 1.00 17.57 C ATOM 0 H THR X 39 36.059 36.273 99.759 1.00 19.95 H new ATOM 0 HA THR X 39 37.133 34.033 100.820 1.00 22.28 H new ATOM 0 HB THR X 39 38.587 36.065 99.442 1.00 22.10 H new ATOM 0 HG1 THR X 39 38.882 34.505 97.940 1.00 23.50 H new ATOM 0 HG21 THR X 39 40.541 34.799 99.748 1.00 17.57 H new ATOM 0 HG22 THR X 39 39.946 35.229 101.152 1.00 17.57 H new ATOM 0 HG23 THR X 39 39.728 33.754 100.617 1.00 17.57 H new ATOM 329 N LEU X 40 37.864 34.895 102.967 1.00 19.12 N ATOM 330 CA LEU X 40 38.343 35.422 104.250 1.00 15.94 C ATOM 331 C LEU X 40 39.830 35.142 104.414 1.00 17.92 C ATOM 332 O LEU X 40 40.266 34.012 104.251 1.00 17.89 O ATOM 333 CB LEU X 40 37.596 34.809 105.431 1.00 14.09 C ATOM 334 CG LEU X 40 36.094 34.984 105.589 1.00 18.53 C ATOM 335 CD1 LEU X 40 35.655 34.271 106.855 1.00 14.64 C ATOM 336 CD2 LEU X 40 35.762 36.451 105.656 1.00 12.64 C ATOM 0 H LEU X 40 37.789 34.038 102.947 1.00 19.12 H new ATOM 0 HA LEU X 40 38.180 36.378 104.243 1.00 15.94 H new ATOM 0 HB2 LEU X 40 37.770 33.855 105.412 1.00 14.09 H new ATOM 0 HB3 LEU X 40 38.008 35.156 106.238 1.00 14.09 H new ATOM 0 HG LEU X 40 35.626 34.602 104.830 1.00 18.53 H new ATOM 0 HD11 LEU X 40 34.697 34.374 106.969 1.00 14.64 H new ATOM 0 HD12 LEU X 40 35.872 33.328 106.788 1.00 14.64 H new ATOM 0 HD13 LEU X 40 36.114 34.654 107.618 1.00 14.64 H new ATOM 0 HD21 LEU X 40 34.804 36.562 105.757 1.00 12.64 H new ATOM 0 HD22 LEU X 40 36.215 36.851 106.415 1.00 12.64 H new ATOM 0 HD23 LEU X 40 36.053 36.887 104.840 1.00 12.64 H new ATOM 337 N VAL X 41 40.598 36.179 104.730 1.00 14.57 N ATOM 338 CA VAL X 41 42.008 36.037 105.047 1.00 16.29 C ATOM 339 C VAL X 41 42.204 36.349 106.521 1.00 18.33 C ATOM 340 O VAL X 41 41.706 37.357 107.013 1.00 16.38 O ATOM 341 CB VAL X 41 42.888 36.968 104.198 1.00 17.05 C ATOM 342 CG1 VAL X 41 44.353 36.856 104.623 1.00 13.71 C ATOM 343 CG2 VAL X 41 42.744 36.625 102.752 1.00 18.97 C ATOM 0 H VAL X 41 40.311 36.989 104.766 1.00 14.57 H new ATOM 0 HA VAL X 41 42.278 35.127 104.847 1.00 16.29 H new ATOM 0 HB VAL X 41 42.597 37.883 104.337 1.00 17.05 H new ATOM 0 HG11 VAL X 41 44.894 37.449 104.078 1.00 13.71 H new ATOM 0 HG12 VAL X 41 44.439 37.106 105.556 1.00 13.71 H new ATOM 0 HG13 VAL X 41 44.656 35.942 104.504 1.00 13.71 H new ATOM 0 HG21 VAL X 41 43.302 37.216 102.222 1.00 18.97 H new ATOM 0 HG22 VAL X 41 43.019 35.706 102.608 1.00 18.97 H new ATOM 0 HG23 VAL X 41 41.817 36.730 102.485 1.00 18.97 H new ATOM 344 N MET X 42 42.919 35.481 107.225 1.00 14.35 N ATOM 345 CA MET X 42 43.112 35.658 108.652 1.00 18.07 C ATOM 346 C MET X 42 44.493 35.168 109.113 1.00 21.56 C ATOM 347 O MET X 42 45.052 34.236 108.541 1.00 18.29 O ATOM 348 CB MET X 42 42.000 34.932 109.404 1.00 15.39 C ATOM 349 CG MET X 42 42.044 33.412 109.274 1.00 16.59 C ATOM 350 SD MET X 42 40.540 32.582 109.845 1.00 23.67 S ATOM 351 CE MET X 42 39.493 32.652 108.390 1.00 19.02 C ATOM 0 H MET X 42 43.299 34.784 106.894 1.00 14.35 H new ATOM 0 HA MET X 42 43.073 36.607 108.849 1.00 18.07 H new ATOM 0 HB2 MET X 42 42.052 35.168 110.344 1.00 15.39 H new ATOM 0 HB3 MET X 42 41.143 35.249 109.079 1.00 15.39 H new ATOM 0 HG2 MET X 42 42.198 33.180 108.345 1.00 16.59 H new ATOM 0 HG3 MET X 42 42.800 33.075 109.779 1.00 16.59 H new ATOM 0 HE1 MET X 42 38.642 32.228 108.583 1.00 19.02 H new ATOM 0 HE2 MET X 42 39.344 33.578 108.143 1.00 19.02 H new ATOM 0 HE3 MET X 42 39.926 32.188 107.657 1.00 19.02 H new ATOM 352 N GLY X 43 45.048 35.798 110.145 1.00 18.34 N ATOM 353 CA GLY X 43 46.294 35.308 110.722 1.00 10.73 C ATOM 354 C GLY X 43 46.059 33.990 111.446 1.00 13.93 C ATOM 355 O GLY X 43 44.918 33.628 111.742 1.00 10.04 O ATOM 0 H GLY X 43 44.724 36.501 110.521 1.00 18.34 H new ATOM 0 HA2 GLY X 43 46.956 35.187 110.023 1.00 10.73 H new ATOM 0 HA3 GLY X 43 46.652 35.964 111.340 1.00 10.73 H new ATOM 356 N ARG X 44 47.144 33.277 111.738 1.00 18.34 N ATOM 357 CA ARG X 44 47.083 31.951 112.343 1.00 13.45 C ATOM 358 C ARG X 44 46.300 31.918 113.664 1.00 16.86 C ATOM 359 O ARG X 44 45.464 31.042 113.869 1.00 15.73 O ATOM 360 CB ARG X 44 48.511 31.424 112.545 1.00 19.42 C ATOM 361 CG ARG X 44 48.625 29.979 112.992 1.00 22.13 C ATOM 362 CD ARG X 44 48.931 29.895 114.488 1.00 18.10 C ATOM 363 NE ARG X 44 50.090 30.684 114.898 1.00 25.00 N ATOM 364 CZ ARG X 44 50.412 30.919 116.170 1.00 17.87 C ATOM 365 NH1 ARG X 44 49.652 30.427 117.134 1.00 19.76 N ATOM 366 NH2 ARG X 44 51.472 31.661 116.477 1.00 16.73 N ATOM 0 H ARG X 44 47.945 33.553 111.588 1.00 18.34 H new ATOM 0 HA ARG X 44 46.595 31.376 111.733 1.00 13.45 H new ATOM 0 HB2 ARG X 44 48.996 31.526 111.711 1.00 19.42 H new ATOM 0 HB3 ARG X 44 48.954 31.984 113.202 1.00 19.42 H new ATOM 0 HG2 ARG X 44 47.798 29.511 112.800 1.00 22.13 H new ATOM 0 HG3 ARG X 44 49.325 29.535 112.489 1.00 22.13 H new ATOM 0 HD2 ARG X 44 48.154 30.194 114.986 1.00 18.10 H new ATOM 0 HD3 ARG X 44 49.081 28.967 114.727 1.00 18.10 H new ATOM 0 HE ARG X 44 50.593 31.016 114.284 1.00 25.00 H new ATOM 0 HH11 ARG X 44 48.957 29.960 116.938 1.00 19.76 H new ATOM 0 HH12 ARG X 44 49.853 30.574 117.957 1.00 19.76 H new ATOM 0 HH21 ARG X 44 51.959 31.995 115.852 1.00 16.73 H new ATOM 0 HH22 ARG X 44 51.671 31.807 117.301 1.00 16.73 H new ATOM 367 N LYS X 45 46.547 32.879 114.550 1.00 14.62 N ATOM 368 CA LYS X 45 45.899 32.863 115.865 1.00 20.25 C ATOM 369 C LYS X 45 44.376 33.008 115.775 1.00 13.05 C ATOM 370 O LYS X 45 43.636 32.315 116.479 1.00 17.79 O ATOM 371 CB LYS X 45 46.481 33.965 116.760 1.00 14.62 C ATOM 372 CG LYS X 45 47.930 33.716 117.147 1.00 15.01 C ATOM 373 CD LYS X 45 48.461 34.811 118.046 1.00 21.00 C ATOM 374 CE LYS X 45 49.913 34.572 118.429 1.00 24.54 C ATOM 375 NZ LYS X 45 50.351 35.578 119.434 1.00 31.46 N ATOM 0 H LYS X 45 47.078 33.542 114.415 1.00 14.62 H new ATOM 0 HA LYS X 45 46.081 31.995 116.257 1.00 20.25 H new ATOM 0 HB2 LYS X 45 46.417 34.816 116.299 1.00 14.62 H new ATOM 0 HB3 LYS X 45 45.945 34.037 117.565 1.00 14.62 H new ATOM 0 HG2 LYS X 45 48.003 32.861 117.599 1.00 15.01 H new ATOM 0 HG3 LYS X 45 48.475 33.661 116.346 1.00 15.01 H new ATOM 0 HD2 LYS X 45 48.382 35.666 117.595 1.00 21.00 H new ATOM 0 HD3 LYS X 45 47.919 34.862 118.849 1.00 21.00 H new ATOM 0 HE2 LYS X 45 50.016 33.678 118.790 1.00 24.54 H new ATOM 0 HE3 LYS X 45 50.476 34.626 117.641 1.00 24.54 H new ATOM 0 HZ1 LYS X 45 51.025 35.247 119.911 1.00 31.46 H new ATOM 0 HZ2 LYS X 45 50.618 36.318 119.017 1.00 31.46 H new ATOM 0 HZ3 LYS X 45 49.672 35.772 119.976 1.00 31.46 H new ATOM 376 N THR X 46 43.919 33.898 114.901 1.00 13.22 N ATOM 377 CA THR X 46 42.492 34.085 114.677 1.00 14.55 C ATOM 378 C THR X 46 41.875 32.787 114.204 1.00 18.50 C ATOM 379 O THR X 46 40.822 32.371 114.716 1.00 17.34 O ATOM 380 CB THR X 46 42.200 35.189 113.642 1.00 16.75 C ATOM 381 OG1 THR X 46 42.584 36.463 114.179 1.00 17.90 O ATOM 382 CG2 THR X 46 40.725 35.225 113.301 1.00 12.96 C ATOM 0 H THR X 46 44.423 34.406 114.425 1.00 13.22 H new ATOM 0 HA THR X 46 42.103 34.360 115.522 1.00 14.55 H new ATOM 0 HB THR X 46 42.707 34.997 112.837 1.00 16.75 H new ATOM 0 HG1 THR X 46 43.294 36.379 114.619 1.00 17.90 H new ATOM 0 HG21 THR X 46 40.560 35.925 112.649 1.00 12.96 H new ATOM 0 HG22 THR X 46 40.457 34.369 112.931 1.00 12.96 H new ATOM 0 HG23 THR X 46 40.211 35.404 114.104 1.00 12.96 H new ATOM 383 N PHE X 47 42.531 32.136 113.242 1.00 16.71 N ATOM 384 CA PHE X 47 42.004 30.875 112.750 1.00 16.79 C ATOM 385 C PHE X 47 41.916 29.806 113.837 1.00 18.22 C ATOM 386 O PHE X 47 40.928 29.058 113.903 1.00 19.63 O ATOM 387 CB PHE X 47 42.820 30.291 111.606 1.00 14.30 C ATOM 388 CG PHE X 47 42.407 28.881 111.288 1.00 27.26 C ATOM 389 CD1 PHE X 47 41.151 28.628 110.738 1.00 22.39 C ATOM 390 CD2 PHE X 47 43.217 27.807 111.616 1.00 22.94 C ATOM 391 CE1 PHE X 47 40.736 27.336 110.486 1.00 29.85 C ATOM 392 CE2 PHE X 47 42.807 26.510 111.363 1.00 22.14 C ATOM 393 CZ PHE X 47 41.566 26.273 110.800 1.00 23.69 C ATOM 0 H PHE X 47 43.261 32.402 112.873 1.00 16.71 H new ATOM 0 HA PHE X 47 41.115 31.103 112.435 1.00 16.79 H new ATOM 0 HB2 PHE X 47 42.713 30.845 110.817 1.00 14.30 H new ATOM 0 HB3 PHE X 47 43.761 30.307 111.839 1.00 14.30 H new ATOM 0 HD1 PHE X 47 40.586 29.339 110.538 1.00 22.39 H new ATOM 0 HD2 PHE X 47 44.045 27.959 112.011 1.00 22.94 H new ATOM 0 HE1 PHE X 47 39.901 27.180 110.106 1.00 29.85 H new ATOM 0 HE2 PHE X 47 43.366 25.797 111.572 1.00 22.14 H new ATOM 0 HZ PHE X 47 41.289 25.401 110.633 1.00 23.69 H new ATOM 394 N GLU X 48 42.930 29.707 114.685 1.00 13.61 N ATOM 395 CA AGLU X 48 42.928 28.670 115.721 0.62 22.74 C ATOM 396 CA BGLU X 48 42.902 28.666 115.706 0.38 22.83 C ATOM 397 C GLU X 48 41.873 28.960 116.774 1.00 17.00 C ATOM 398 O GLU X 48 41.335 28.048 117.389 1.00 27.33 O ATOM 399 CB AGLU X 48 44.306 28.542 116.378 0.62 22.78 C ATOM 400 CB BGLU X 48 44.279 28.491 116.325 0.38 22.97 C ATOM 401 CG AGLU X 48 45.452 28.319 115.398 0.62 30.10 C ATOM 402 CG BGLU X 48 45.198 27.745 115.403 0.38 29.47 C ATOM 403 CD AGLU X 48 45.713 26.853 115.073 0.62 33.31 C ATOM 404 CD BGLU X 48 46.642 27.977 115.717 0.38 31.26 C ATOM 405 OE1AGLU X 48 44.796 26.159 114.587 0.62 30.25 O ATOM 406 OE1BGLU X 48 46.937 28.816 116.600 0.38 26.16 O ATOM 407 OE2AGLU X 48 46.856 26.398 115.295 0.62 45.49 O ATOM 408 OE2BGLU X 48 47.488 27.315 115.077 0.38 37.75 O ATOM 0 H AGLU X 48 43.621 30.219 114.683 0.62 13.61 H new ATOM 0 H BGLU X 48 43.624 30.214 114.690 0.38 13.61 H new ATOM 0 HA AGLU X 48 42.715 27.827 115.291 0.62 22.83 H new ATOM 0 HA BGLU X 48 42.646 27.836 115.273 0.38 22.83 H new ATOM 0 HB2AGLU X 48 44.484 29.347 116.890 0.62 22.97 H new ATOM 0 HB2BGLU X 48 44.657 29.361 116.529 0.38 22.97 H new ATOM 0 HB3AGLU X 48 44.285 27.804 117.007 0.62 22.97 H new ATOM 0 HB3BGLU X 48 44.200 28.012 117.165 0.38 22.97 H new ATOM 0 HG2AGLU X 48 45.258 28.794 114.575 0.62 29.47 H new ATOM 0 HG2BGLU X 48 45.007 26.796 115.460 0.38 29.47 H new ATOM 0 HG3AGLU X 48 46.261 28.708 115.766 0.62 29.47 H new ATOM 0 HG3BGLU X 48 45.022 28.015 114.488 0.38 29.47 H new ATOM 409 N SER X 49 41.579 30.235 116.981 1.00 26.93 N ATOM 410 CA SER X 49 40.562 30.602 117.959 1.00 24.22 C ATOM 411 C SER X 49 39.185 30.247 117.433 1.00 27.82 C ATOM 412 O SER X 49 38.282 29.912 118.202 1.00 30.26 O ATOM 413 CB SER X 49 40.621 32.086 118.270 1.00 26.19 C ATOM 414 OG SER X 49 39.966 32.813 117.250 1.00 38.09 O ATOM 0 H SER X 49 41.949 30.896 116.574 1.00 26.93 H new ATOM 0 HA SER X 49 40.735 30.108 118.776 1.00 24.22 H new ATOM 0 HB2 SER X 49 40.201 32.263 119.126 1.00 26.19 H new ATOM 0 HB3 SER X 49 41.545 32.374 118.342 1.00 26.19 H new ATOM 0 HG SER X 49 40.298 32.612 116.505 1.00 38.09 H new ATOM 415 N ILE X 50 39.022 30.347 116.115 1.00 29.37 N ATOM 416 CA ILE X 50 37.770 29.957 115.469 1.00 31.55 C ATOM 417 C ILE X 50 37.640 28.439 115.536 1.00 27.25 C ATOM 418 O ILE X 50 36.588 27.916 115.888 1.00 42.01 O ATOM 419 CB ILE X 50 37.702 30.440 114.004 1.00 23.64 C ATOM 420 CG1 ILE X 50 37.706 31.961 113.945 1.00 19.36 C ATOM 421 CG2 ILE X 50 36.470 29.931 113.319 1.00 25.13 C ATOM 422 CD1 ILE X 50 37.670 32.490 112.512 1.00 30.10 C ATOM 0 H ILE X 50 39.625 30.639 115.576 1.00 29.37 H new ATOM 0 HA ILE X 50 37.033 30.378 115.938 1.00 31.55 H new ATOM 0 HB ILE X 50 38.483 30.091 113.548 1.00 23.64 H new ATOM 0 HG12 ILE X 50 36.940 32.303 114.432 1.00 19.36 H new ATOM 0 HG13 ILE X 50 38.499 32.297 114.391 1.00 19.36 H new ATOM 0 HG21 ILE X 50 36.454 30.249 112.403 1.00 25.13 H new ATOM 0 HG22 ILE X 50 36.474 28.961 113.324 1.00 25.13 H new ATOM 0 HG23 ILE X 50 35.683 30.253 113.786 1.00 25.13 H new ATOM 0 HD11 ILE X 50 37.674 33.460 112.525 1.00 30.10 H new ATOM 0 HD12 ILE X 50 38.448 32.170 112.029 1.00 30.10 H new ATOM 0 HD13 ILE X 50 36.865 32.176 112.071 1.00 30.10 H new ATOM 423 N GLY X 51 38.720 27.740 115.206 1.00 26.17 N ATOM 424 CA GLY X 51 38.777 26.297 115.376 1.00 34.16 C ATOM 425 C GLY X 51 38.710 25.500 114.087 1.00 40.91 C ATOM 426 O GLY X 51 39.443 24.525 113.910 1.00 39.54 O ATOM 0 H GLY X 51 39.436 28.088 114.879 1.00 26.17 H new ATOM 0 HA2 GLY X 51 39.599 26.071 115.839 1.00 34.16 H new ATOM 0 HA3 GLY X 51 38.044 26.023 115.949 1.00 34.16 H new ATOM 427 N LYS X 52 37.825 25.916 113.185 1.00 34.80 N ATOM 428 CA LYS X 52 37.616 25.218 111.913 1.00 46.45 C ATOM 429 C LYS X 52 37.267 26.243 110.846 1.00 30.38 C ATOM 430 O LYS X 52 36.856 27.347 111.183 1.00 27.46 O ATOM 431 CB LYS X 52 36.517 24.152 112.052 1.00 40.08 C ATOM 432 CG LYS X 52 37.078 22.743 112.258 0.73 40.88 C ATOM 433 CD LYS X 52 36.223 21.895 113.190 1.00 53.77 C ATOM 434 CE LYS X 52 36.852 20.522 113.400 1.00 52.76 C ATOM 435 NZ LYS X 52 38.277 20.613 113.826 1.00 40.42 N ATOM 0 H LYS X 52 37.328 26.610 113.291 1.00 34.80 H new ATOM 0 HA LYS X 52 38.428 24.755 111.654 1.00 46.45 H new ATOM 0 HB2 LYS X 52 35.944 24.380 112.801 1.00 40.08 H new ATOM 0 HB3 LYS X 52 35.961 24.161 111.257 1.00 40.08 H new ATOM 0 HG2 LYS X 52 37.149 22.299 111.398 0.73 40.88 H new ATOM 0 HG3 LYS X 52 37.976 22.807 112.619 0.73 40.88 H new ATOM 0 HD2 LYS X 52 36.124 22.344 114.044 1.00 53.77 H new ATOM 0 HD3 LYS X 52 35.333 21.794 112.818 1.00 53.77 H new ATOM 0 HE2 LYS X 52 36.347 20.036 114.070 1.00 52.76 H new ATOM 0 HE3 LYS X 52 36.794 20.013 112.577 1.00 52.76 H new ATOM 0 HZ1 LYS X 52 38.464 19.944 114.382 1.00 40.42 H new ATOM 0 HZ2 LYS X 52 38.805 20.560 113.111 1.00 40.42 H new ATOM 0 HZ3 LYS X 52 38.415 21.389 114.239 1.00 40.42 H new ATOM 436 N PRO X 53 37.445 25.900 109.563 1.00 29.22 N ATOM 437 CA PRO X 53 37.117 26.900 108.537 1.00 25.48 C ATOM 438 C PRO X 53 35.616 27.209 108.502 1.00 23.69 C ATOM 439 O PRO X 53 34.812 26.365 108.881 1.00 27.85 O ATOM 440 CB PRO X 53 37.583 26.240 107.226 1.00 33.33 C ATOM 441 CG PRO X 53 37.614 24.773 107.515 1.00 26.61 C ATOM 442 CD PRO X 53 37.932 24.634 108.982 1.00 36.85 C ATOM 0 HA PRO X 53 37.544 27.755 108.703 1.00 25.48 H new ATOM 0 HB2 PRO X 53 36.975 26.441 106.497 1.00 33.33 H new ATOM 0 HB3 PRO X 53 38.459 26.564 106.963 1.00 33.33 H new ATOM 0 HG2 PRO X 53 36.761 24.362 107.306 1.00 26.61 H new ATOM 0 HG3 PRO X 53 38.284 24.328 106.973 1.00 26.61 H new ATOM 0 HD2 PRO X 53 37.485 23.867 109.373 1.00 36.85 H new ATOM 0 HD3 PRO X 53 38.883 24.515 109.131 1.00 36.85 H new ATOM 443 N LEU X 54 35.256 28.415 108.081 1.00 25.31 N ATOM 444 CA LEU X 54 33.851 28.809 107.991 1.00 27.50 C ATOM 445 C LEU X 54 33.253 28.315 106.677 1.00 18.94 C ATOM 446 O LEU X 54 33.910 28.362 105.638 1.00 23.87 O ATOM 447 CB LEU X 54 33.713 30.327 108.118 1.00 19.36 C ATOM 448 CG LEU X 54 34.349 30.869 109.407 1.00 23.22 C ATOM 449 CD1 LEU X 54 34.143 32.361 109.545 1.00 30.15 C ATOM 450 CD2 LEU X 54 33.782 30.139 110.623 1.00 26.97 C ATOM 0 H LEU X 54 35.812 29.025 107.841 1.00 25.31 H new ATOM 0 HA LEU X 54 33.362 28.401 108.723 1.00 27.50 H new ATOM 0 HB2 LEU X 54 34.129 30.752 107.352 1.00 19.36 H new ATOM 0 HB3 LEU X 54 32.773 30.566 108.099 1.00 19.36 H new ATOM 0 HG LEU X 54 35.304 30.708 109.357 1.00 23.22 H new ATOM 0 HD11 LEU X 54 34.555 32.670 110.367 1.00 30.15 H new ATOM 0 HD12 LEU X 54 34.548 32.815 108.790 1.00 30.15 H new ATOM 0 HD13 LEU X 54 33.193 32.556 109.567 1.00 30.15 H new ATOM 0 HD21 LEU X 54 34.190 30.489 111.430 1.00 26.97 H new ATOM 0 HD22 LEU X 54 32.822 30.273 110.662 1.00 26.97 H new ATOM 0 HD23 LEU X 54 33.973 29.191 110.550 1.00 26.97 H new ATOM 451 N PRO X 55 32.012 27.808 106.727 1.00 31.23 N ATOM 452 CA PRO X 55 31.371 27.193 105.551 1.00 28.10 C ATOM 453 C PRO X 55 31.090 28.163 104.406 1.00 23.60 C ATOM 454 O PRO X 55 30.786 29.332 104.641 1.00 23.86 O ATOM 455 CB PRO X 55 30.046 26.651 106.109 1.00 27.13 C ATOM 456 CG PRO X 55 30.261 26.534 107.586 1.00 31.36 C ATOM 457 CD PRO X 55 31.209 27.645 107.953 1.00 22.89 C ATOM 0 HA PRO X 55 31.955 26.525 105.159 1.00 28.10 H new ATOM 0 HB2 PRO X 55 29.310 27.250 105.908 1.00 27.13 H new ATOM 0 HB3 PRO X 55 29.827 25.791 105.718 1.00 27.13 H new ATOM 0 HG2 PRO X 55 29.423 26.619 108.067 1.00 31.36 H new ATOM 0 HG3 PRO X 55 30.634 25.668 107.816 1.00 31.36 H new ATOM 0 HD2 PRO X 55 30.736 28.460 108.185 1.00 22.89 H new ATOM 0 HD3 PRO X 55 31.760 27.410 108.716 1.00 22.89 H new ATOM 458 N ASN X 56 31.196 27.658 103.179 1.00 20.39 N ATOM 459 CA ASN X 56 30.686 28.333 101.980 1.00 27.49 C ATOM 460 C ASN X 56 31.453 29.587 101.586 1.00 32.62 C ATOM 461 O ASN X 56 30.894 30.507 100.988 1.00 29.48 O ATOM 462 CB ASN X 56 29.206 28.683 102.146 1.00 21.58 C ATOM 463 CG ASN X 56 28.357 27.480 102.518 1.00 29.12 C ATOM 464 OD1 ASN X 56 27.570 27.536 103.461 1.00 32.29 O ATOM 465 ND2 ASN X 56 28.529 26.378 101.789 1.00 28.73 N ATOM 0 H ASN X 56 31.572 26.902 103.014 1.00 20.39 H new ATOM 0 HA ASN X 56 30.811 27.694 101.261 1.00 27.49 H new ATOM 0 HB2 ASN X 56 29.113 29.364 102.831 1.00 21.58 H new ATOM 0 HB3 ASN X 56 28.873 29.066 101.319 1.00 21.58 H new ATOM 0 HD21 ASN X 56 28.080 25.668 101.971 1.00 28.73 H new ATOM 0 HD22 ASN X 56 29.089 26.377 101.136 1.00 28.73 H new ATOM 466 N ARG X 57 32.737 29.609 101.915 1.00 28.12 N ATOM 467 CA ARG X 57 33.629 30.661 101.466 1.00 19.47 C ATOM 468 C ARG X 57 35.028 30.108 101.494 1.00 22.87 C ATOM 469 O ARG X 57 35.292 29.142 102.206 1.00 18.10 O ATOM 470 CB ARG X 57 33.517 31.910 102.353 1.00 25.80 C ATOM 471 CG ARG X 57 34.010 31.742 103.780 1.00 14.33 C ATOM 472 CD ARG X 57 33.163 32.558 104.711 1.00 18.93 C ATOM 473 NE ARG X 57 31.991 31.818 105.156 1.00 23.48 N ATOM 474 CZ ARG X 57 31.228 32.177 106.185 1.00 26.06 C ATOM 475 NH1 ARG X 57 31.499 33.283 106.871 1.00 19.78 N ATOM 476 NH2 ARG X 57 30.196 31.427 106.531 1.00 23.75 N ATOM 0 H ARG X 57 33.114 29.012 102.406 1.00 28.12 H new ATOM 0 HA ARG X 57 33.389 30.938 100.568 1.00 19.47 H new ATOM 0 HB2 ARG X 57 34.017 32.630 101.937 1.00 25.80 H new ATOM 0 HB3 ARG X 57 32.588 32.188 102.378 1.00 25.80 H new ATOM 0 HG2 ARG X 57 33.976 30.807 104.035 1.00 14.33 H new ATOM 0 HG3 ARG X 57 34.937 32.020 103.845 1.00 14.33 H new ATOM 0 HD2 ARG X 57 33.690 32.824 105.481 1.00 18.93 H new ATOM 0 HD3 ARG X 57 32.882 33.372 104.265 1.00 18.93 H new ATOM 0 HE ARG X 57 31.778 31.104 104.727 1.00 23.48 H new ATOM 0 HH11 ARG X 57 32.171 33.772 106.651 1.00 19.78 H new ATOM 0 HH12 ARG X 57 31.002 33.510 107.535 1.00 19.78 H new ATOM 0 HH21 ARG X 57 30.019 30.709 106.091 1.00 23.75 H new ATOM 0 HH22 ARG X 57 29.701 31.657 107.196 1.00 23.75 H new ATOM 477 N ARG X 58 35.928 30.711 100.729 1.00 16.48 N ATOM 478 CA ARG X 58 37.329 30.342 100.819 1.00 19.63 C ATOM 479 C ARG X 58 37.926 30.865 102.140 1.00 34.38 C ATOM 480 O ARG X 58 37.762 32.041 102.486 1.00 28.44 O ATOM 481 CB ARG X 58 38.085 30.890 99.623 1.00 19.91 C ATOM 482 CG ARG X 58 39.494 30.402 99.487 1.00 21.81 C ATOM 483 CD ARG X 58 40.120 31.002 98.241 1.00 20.64 C ATOM 484 NE ARG X 58 41.456 30.488 97.989 1.00 23.69 N ATOM 485 CZ ARG X 58 42.259 30.948 97.037 1.00 24.67 C ATOM 486 NH1 ARG X 58 41.858 31.939 96.262 1.00 28.74 N ATOM 487 NH2 ARG X 58 43.463 30.423 96.863 1.00 25.52 N ATOM 0 H ARG X 58 35.750 31.329 100.158 1.00 16.48 H new ATOM 0 HA ARG X 58 37.410 29.375 100.812 1.00 19.63 H new ATOM 0 HB2 ARG X 58 37.598 30.660 98.816 1.00 19.91 H new ATOM 0 HB3 ARG X 58 38.097 31.858 99.681 1.00 19.91 H new ATOM 0 HG2 ARG X 58 40.009 30.650 100.271 1.00 21.81 H new ATOM 0 HG3 ARG X 58 39.507 29.434 99.433 1.00 21.81 H new ATOM 0 HD2 ARG X 58 39.554 30.814 97.476 1.00 20.64 H new ATOM 0 HD3 ARG X 58 40.160 31.967 98.335 1.00 20.64 H new ATOM 0 HE ARG X 58 41.743 29.848 98.486 1.00 23.69 H new ATOM 0 HH11 ARG X 58 41.079 32.285 96.375 1.00 28.74 H new ATOM 0 HH12 ARG X 58 42.376 32.239 95.645 1.00 28.74 H new ATOM 0 HH21 ARG X 58 43.729 29.780 97.368 1.00 25.52 H new ATOM 0 HH22 ARG X 58 43.979 30.725 96.245 1.00 25.52 H new ATOM 488 N ASN X 59 38.586 29.977 102.882 1.00 25.51 N ATOM 489 CA ASN X 59 39.304 30.330 104.105 1.00 19.71 C ATOM 490 C ASN X 59 40.805 30.318 103.860 1.00 24.30 C ATOM 491 O ASN X 59 41.377 29.264 103.596 1.00 24.97 O ATOM 492 CB ASN X 59 38.966 29.356 105.234 1.00 20.36 C ATOM 493 CG ASN X 59 37.526 29.461 105.697 1.00 28.66 C ATOM 494 OD1 ASN X 59 37.258 29.846 106.839 1.00 17.90 O ATOM 495 ND2 ASN X 59 36.589 29.095 104.824 1.00 21.46 N ATOM 0 H ASN X 59 38.630 29.141 102.686 1.00 25.51 H new ATOM 0 HA ASN X 59 39.028 31.222 104.366 1.00 19.71 H new ATOM 0 HB2 ASN X 59 39.139 28.450 104.935 1.00 20.36 H new ATOM 0 HB3 ASN X 59 39.555 29.524 105.986 1.00 20.36 H new ATOM 0 HD21 ASN X 59 35.759 29.122 105.048 1.00 21.46 H new ATOM 0 HD22 ASN X 59 36.814 28.832 104.037 1.00 21.46 H new ATOM 496 N VAL X 60 41.442 31.482 103.949 1.00 21.17 N ATOM 497 CA VAL X 60 42.881 31.600 103.732 1.00 11.95 C ATOM 498 C VAL X 60 43.578 32.011 105.024 1.00 18.10 C ATOM 499 O VAL X 60 43.239 33.031 105.603 1.00 18.99 O ATOM 500 CB VAL X 60 43.200 32.622 102.644 1.00 12.21 C ATOM 501 CG1 VAL X 60 44.701 32.789 102.501 1.00 17.35 C ATOM 502 CG2 VAL X 60 42.568 32.220 101.323 1.00 15.56 C ATOM 0 H VAL X 60 41.052 32.225 104.137 1.00 21.17 H new ATOM 0 HA VAL X 60 43.204 30.732 103.445 1.00 11.95 H new ATOM 0 HB VAL X 60 42.822 33.477 102.905 1.00 12.21 H new ATOM 0 HG11 VAL X 60 44.890 33.440 101.807 1.00 17.35 H new ATOM 0 HG12 VAL X 60 45.074 33.096 103.342 1.00 17.35 H new ATOM 0 HG13 VAL X 60 45.100 31.938 102.262 1.00 17.35 H new ATOM 0 HG21 VAL X 60 42.783 32.882 100.647 1.00 15.56 H new ATOM 0 HG22 VAL X 60 42.912 31.355 101.049 1.00 15.56 H new ATOM 0 HG23 VAL X 60 41.605 32.166 101.428 1.00 15.56 H new ATOM 503 N VAL X 61 44.546 31.219 105.481 1.00 19.58 N ATOM 504 CA VAL X 61 45.236 31.512 106.737 1.00 18.47 C ATOM 505 C VAL X 61 46.696 31.900 106.484 1.00 22.28 C ATOM 506 O VAL X 61 47.445 31.194 105.806 1.00 17.86 O ATOM 507 CB VAL X 61 45.166 30.317 107.715 1.00 18.53 C ATOM 508 CG1 VAL X 61 46.025 30.562 108.931 1.00 19.57 C ATOM 509 CG2 VAL X 61 43.725 30.061 108.134 1.00 12.08 C ATOM 0 H VAL X 61 44.818 30.508 105.080 1.00 19.58 H new ATOM 0 HA VAL X 61 44.780 32.264 107.146 1.00 18.47 H new ATOM 0 HB VAL X 61 45.505 29.532 107.256 1.00 18.53 H new ATOM 0 HG11 VAL X 61 45.965 29.800 109.529 1.00 19.57 H new ATOM 0 HG12 VAL X 61 46.947 30.685 108.657 1.00 19.57 H new ATOM 0 HG13 VAL X 61 45.716 31.358 109.391 1.00 19.57 H new ATOM 0 HG21 VAL X 61 43.695 29.310 108.747 1.00 12.08 H new ATOM 0 HG22 VAL X 61 43.370 30.850 108.573 1.00 12.08 H new ATOM 0 HG23 VAL X 61 43.191 29.860 107.350 1.00 12.08 H new ATOM 510 N LEU X 62 47.080 33.055 107.017 1.00 18.62 N ATOM 511 CA LEU X 62 48.432 33.558 106.859 1.00 12.41 C ATOM 512 C LEU X 62 49.261 33.086 108.037 1.00 17.79 C ATOM 513 O LEU X 62 48.893 33.333 109.188 1.00 16.70 O ATOM 514 CB LEU X 62 48.430 35.087 106.760 1.00 16.95 C ATOM 515 CG LEU X 62 49.771 35.824 106.722 1.00 18.62 C ATOM 516 CD1 LEU X 62 50.591 35.447 105.503 1.00 19.85 C ATOM 517 CD2 LEU X 62 49.553 37.323 106.790 1.00 19.62 C ATOM 0 H LEU X 62 46.564 33.565 107.478 1.00 18.62 H new ATOM 0 HA LEU X 62 48.818 33.218 106.037 1.00 12.41 H new ATOM 0 HB2 LEU X 62 47.939 35.329 105.959 1.00 16.95 H new ATOM 0 HB3 LEU X 62 47.928 35.430 107.516 1.00 16.95 H new ATOM 0 HG LEU X 62 50.280 35.550 107.501 1.00 18.62 H new ATOM 0 HD11 LEU X 62 51.430 35.933 105.515 1.00 19.85 H new ATOM 0 HD12 LEU X 62 50.769 34.494 105.515 1.00 19.85 H new ATOM 0 HD13 LEU X 62 50.098 35.673 104.699 1.00 19.85 H new ATOM 0 HD21 LEU X 62 50.410 37.776 106.765 1.00 19.62 H new ATOM 0 HD22 LEU X 62 49.016 37.607 106.034 1.00 19.62 H new ATOM 0 HD23 LEU X 62 49.094 37.546 107.615 1.00 19.62 H new ATOM 518 N THR X 63 50.357 32.376 107.751 1.00 19.42 N ATOM 519 CA THR X 63 51.249 31.866 108.798 1.00 16.17 C ATOM 520 C THR X 63 52.671 31.675 108.279 1.00 21.01 C ATOM 521 O THR X 63 52.873 31.552 107.073 1.00 19.92 O ATOM 522 CB THR X 63 50.751 30.511 109.375 1.00 20.09 C ATOM 523 OG1 THR X 63 51.754 29.971 110.239 1.00 25.39 O ATOM 524 CG2 THR X 63 50.488 29.508 108.282 1.00 11.81 C ATOM 0 H THR X 63 50.603 32.178 106.951 1.00 19.42 H new ATOM 0 HA THR X 63 51.245 32.534 109.501 1.00 16.17 H new ATOM 0 HB THR X 63 49.925 30.679 109.855 1.00 20.09 H new ATOM 0 HG1 THR X 63 51.721 30.359 110.983 1.00 25.39 H new ATOM 0 HG21 THR X 63 50.180 28.676 108.674 1.00 11.81 H new ATOM 0 HG22 THR X 63 49.809 29.854 107.682 1.00 11.81 H new ATOM 0 HG23 THR X 63 51.306 29.348 107.786 1.00 11.81 H new ATOM 525 N SER X 64 53.655 31.645 109.184 1.00 22.21 N ATOM 526 CA SER X 64 55.030 31.333 108.778 1.00 30.89 C ATOM 527 C SER X 64 55.324 29.830 108.921 1.00 25.00 C ATOM 528 O SER X 64 56.389 29.364 108.531 1.00 31.57 O ATOM 529 CB SER X 64 56.054 32.162 109.575 1.00 22.25 C ATOM 530 OG SER X 64 56.055 31.848 110.962 1.00 21.80 O ATOM 0 H SER X 64 53.551 31.799 110.024 1.00 22.21 H new ATOM 0 HA SER X 64 55.115 31.572 107.842 1.00 30.89 H new ATOM 0 HB2 SER X 64 56.941 32.009 109.212 1.00 22.25 H new ATOM 0 HB3 SER X 64 55.859 33.105 109.461 1.00 22.25 H new ATOM 0 HG SER X 64 55.264 31.801 111.239 1.00 21.80 H new ATOM 531 N ASP X 65 54.361 29.081 109.457 1.00 27.33 N ATOM 532 CA ASP X 65 54.505 27.642 109.692 1.00 22.15 C ATOM 533 C ASP X 65 54.355 26.847 108.389 1.00 23.22 C ATOM 534 O ASP X 65 53.252 26.691 107.858 1.00 17.18 O ATOM 535 CB ASP X 65 53.466 27.180 110.734 1.00 31.80 C ATOM 536 CG ASP X 65 53.614 25.698 111.133 1.00 28.35 C ATOM 537 OD1 ASP X 65 54.479 24.989 110.584 1.00 30.23 O ATOM 538 OD2 ASP X 65 52.848 25.247 112.013 1.00 34.90 O ATOM 0 H ASP X 65 53.598 29.396 109.697 1.00 27.33 H new ATOM 0 HA ASP X 65 55.397 27.474 110.035 1.00 22.15 H new ATOM 0 HB2 ASP X 65 53.547 27.731 111.528 1.00 31.80 H new ATOM 0 HB3 ASP X 65 52.575 27.325 110.378 1.00 31.80 H new ATOM 539 N THR X 66 55.468 26.328 107.886 1.00 33.87 N ATOM 540 CA THR X 66 55.454 25.603 106.620 1.00 26.71 C ATOM 541 C THR X 66 54.860 24.196 106.758 1.00 25.69 C ATOM 542 O THR X 66 54.722 23.484 105.762 1.00 28.96 O ATOM 543 CB THR X 66 56.863 25.498 106.029 1.00 36.86 C ATOM 544 OG1 THR X 66 57.695 24.734 106.910 1.00 36.56 O ATOM 545 CG2 THR X 66 57.457 26.890 105.842 1.00 27.46 C ATOM 0 H THR X 66 56.240 26.384 108.260 1.00 33.87 H new ATOM 0 HA THR X 66 54.887 26.115 106.022 1.00 26.71 H new ATOM 0 HB THR X 66 56.814 25.058 105.166 1.00 36.86 H new ATOM 0 HG1 THR X 66 57.603 23.916 106.744 1.00 36.56 H new ATOM 0 HG21 THR X 66 58.349 26.814 105.468 1.00 27.46 H new ATOM 0 HG22 THR X 66 56.896 27.403 105.239 1.00 27.46 H new ATOM 0 HG23 THR X 66 57.504 27.340 106.700 1.00 27.46 H new ATOM 546 N SER X 67 54.510 23.808 107.987 1.00 27.10 N ATOM 547 CA SER X 67 53.818 22.541 108.245 1.00 26.88 C ATOM 548 C SER X 67 52.320 22.727 108.285 1.00 28.19 C ATOM 549 O SER X 67 51.567 21.759 108.374 1.00 26.55 O ATOM 550 CB SER X 67 54.259 21.921 109.573 1.00 22.63 C ATOM 551 OG SER X 67 55.586 21.458 109.497 1.00 34.40 O ATOM 0 H SER X 67 54.667 24.272 108.694 1.00 27.10 H new ATOM 0 HA SER X 67 54.054 21.949 107.514 1.00 26.88 H new ATOM 0 HB2 SER X 67 54.182 22.578 110.282 1.00 22.63 H new ATOM 0 HB3 SER X 67 53.669 21.186 109.803 1.00 22.63 H new ATOM 0 HG SER X 67 55.809 21.123 110.235 1.00 34.40 H new ATOM 552 N PHE X 68 51.884 23.977 108.272 1.00 32.58 N ATOM 553 CA PHE X 68 50.465 24.244 108.379 1.00 22.85 C ATOM 554 C PHE X 68 49.757 23.647 107.187 1.00 20.14 C ATOM 555 O PHE X 68 50.092 23.929 106.038 1.00 24.84 O ATOM 556 CB PHE X 68 50.186 25.746 108.459 1.00 33.89 C ATOM 557 CG PHE X 68 48.810 26.079 108.954 1.00 25.35 C ATOM 558 CD1 PHE X 68 47.746 26.169 108.076 1.00 29.04 C ATOM 559 CD2 PHE X 68 48.582 26.300 110.301 1.00 31.01 C ATOM 560 CE1 PHE X 68 46.482 26.484 108.530 1.00 27.95 C ATOM 561 CE2 PHE X 68 47.320 26.614 110.760 1.00 32.90 C ATOM 562 CZ PHE X 68 46.270 26.706 109.873 1.00 25.71 C ATOM 0 H PHE X 68 52.385 24.673 108.203 1.00 32.58 H new ATOM 0 HA PHE X 68 50.134 23.839 109.196 1.00 22.85 H new ATOM 0 HB2 PHE X 68 50.840 26.157 109.045 1.00 33.89 H new ATOM 0 HB3 PHE X 68 50.308 26.137 107.580 1.00 33.89 H new ATOM 0 HD1 PHE X 68 47.884 26.015 107.169 1.00 29.04 H new ATOM 0 HD2 PHE X 68 49.288 26.236 110.903 1.00 31.01 H new ATOM 0 HE1 PHE X 68 45.774 26.546 107.930 1.00 27.95 H new ATOM 0 HE2 PHE X 68 47.178 26.763 111.667 1.00 32.90 H new ATOM 0 HZ PHE X 68 45.418 26.918 110.181 1.00 25.71 H new ATOM 563 N ASN X 69 48.772 22.814 107.468 1.00 29.72 N ATOM 564 CA ASN X 69 47.980 22.219 106.415 1.00 43.62 C ATOM 565 C ASN X 69 46.690 21.695 107.019 1.00 52.53 C ATOM 566 O ASN X 69 46.671 20.626 107.633 1.00 61.99 O ATOM 567 CB ASN X 69 48.758 21.106 105.713 1.00 38.34 C ATOM 568 CG ASN X 69 47.889 20.290 104.789 1.00 53.25 C ATOM 569 OD1 ASN X 69 47.196 19.370 105.230 1.00 57.04 O ATOM 570 ND2 ASN X 69 47.920 20.615 103.498 1.00 42.11 N ATOM 0 H ASN X 69 48.546 22.580 108.264 1.00 29.72 H new ATOM 0 HA ASN X 69 47.772 22.886 105.742 1.00 43.62 H new ATOM 0 HB2 ASN X 69 49.488 21.495 105.206 1.00 38.34 H new ATOM 0 HB3 ASN X 69 49.154 20.523 106.379 1.00 38.34 H new ATOM 0 HD21 ASN X 69 47.443 20.176 102.933 1.00 42.11 H new ATOM 0 HD22 ASN X 69 48.417 21.264 103.230 1.00 42.11 H new ATOM 571 N VAL X 70 45.620 22.468 106.868 1.00 29.01 N ATOM 572 CA VAL X 70 44.340 22.090 107.433 1.00 31.58 C ATOM 573 C VAL X 70 43.383 21.882 106.272 1.00 36.12 C ATOM 574 O VAL X 70 43.477 22.570 105.258 1.00 32.58 O ATOM 575 CB VAL X 70 43.811 23.157 108.417 1.00 34.38 C ATOM 576 CG1 VAL X 70 42.476 22.741 109.014 1.00 22.53 C ATOM 577 CG2 VAL X 70 44.830 23.400 109.520 1.00 24.34 C ATOM 0 H VAL X 70 45.618 23.215 106.441 1.00 29.01 H new ATOM 0 HA VAL X 70 44.429 21.275 107.951 1.00 31.58 H new ATOM 0 HB VAL X 70 43.673 23.981 107.924 1.00 34.38 H new ATOM 0 HG11 VAL X 70 42.167 23.427 109.627 1.00 22.53 H new ATOM 0 HG12 VAL X 70 41.825 22.626 108.304 1.00 22.53 H new ATOM 0 HG13 VAL X 70 42.582 21.904 109.493 1.00 22.53 H new ATOM 0 HG21 VAL X 70 44.490 24.071 110.133 1.00 24.34 H new ATOM 0 HG22 VAL X 70 44.989 22.573 110.002 1.00 24.34 H new ATOM 0 HG23 VAL X 70 45.662 23.711 109.130 1.00 24.34 H new ATOM 578 N GLU X 71 42.489 20.911 106.390 1.00 34.00 N ATOM 579 CA GLU X 71 41.586 20.653 105.291 1.00 37.65 C ATOM 580 C GLU X 71 40.478 21.708 105.260 1.00 32.63 C ATOM 581 O GLU X 71 39.826 21.986 106.277 1.00 29.29 O ATOM 582 CB GLU X 71 40.997 19.250 105.382 1.00 39.62 C ATOM 583 CG GLU X 71 40.220 18.869 104.132 1.00 63.34 C ATOM 584 CD GLU X 71 38.989 18.043 104.439 1.00 82.24 C ATOM 585 OE1 GLU X 71 38.695 17.842 105.641 1.00 75.61 O ATOM 586 OE2 GLU X 71 38.310 17.614 103.476 1.00 73.52 O ATOM 0 H GLU X 71 42.392 20.405 107.079 1.00 34.00 H new ATOM 0 HA GLU X 71 42.089 20.707 104.463 1.00 37.65 H new ATOM 0 HB2 GLU X 71 41.712 18.610 105.524 1.00 39.62 H new ATOM 0 HB3 GLU X 71 40.411 19.197 106.153 1.00 39.62 H new ATOM 0 HG2 GLU X 71 39.955 19.675 103.662 1.00 63.34 H new ATOM 0 HG3 GLU X 71 40.799 18.370 103.535 1.00 63.34 H new ATOM 587 N GLY X 72 40.285 22.292 104.080 1.00 27.22 N ATOM 588 CA GLY X 72 39.291 23.327 103.877 1.00 29.19 C ATOM 589 C GLY X 72 39.923 24.697 103.955 1.00 30.14 C ATOM 590 O GLY X 72 39.249 25.709 103.823 1.00 35.23 O ATOM 0 H GLY X 72 40.733 22.094 103.373 1.00 27.22 H new ATOM 0 HA2 GLY X 72 38.867 23.210 103.012 1.00 29.19 H new ATOM 0 HA3 GLY X 72 38.594 23.249 104.547 1.00 29.19 H new ATOM 591 N VAL X 73 41.234 24.718 104.166 1.00 26.25 N ATOM 592 CA VAL X 73 41.969 25.954 104.382 1.00 25.16 C ATOM 593 C VAL X 73 43.099 26.070 103.381 1.00 21.07 C ATOM 594 O VAL X 73 43.870 25.148 103.221 1.00 24.25 O ATOM 595 CB VAL X 73 42.555 26.020 105.817 1.00 18.87 C ATOM 596 CG1 VAL X 73 43.486 27.204 105.976 1.00 23.14 C ATOM 597 CG2 VAL X 73 41.457 26.057 106.845 1.00 20.97 C ATOM 0 H VAL X 73 41.723 24.011 104.188 1.00 26.25 H new ATOM 0 HA VAL X 73 41.347 26.689 104.266 1.00 25.16 H new ATOM 0 HB VAL X 73 43.075 25.214 105.961 1.00 18.87 H new ATOM 0 HG11 VAL X 73 43.837 27.221 106.880 1.00 23.14 H new ATOM 0 HG12 VAL X 73 44.220 27.126 105.346 1.00 23.14 H new ATOM 0 HG13 VAL X 73 42.998 28.025 105.804 1.00 23.14 H new ATOM 0 HG21 VAL X 73 41.846 26.098 107.733 1.00 20.97 H new ATOM 0 HG22 VAL X 73 40.903 26.840 106.699 1.00 20.97 H new ATOM 0 HG23 VAL X 73 40.914 25.257 106.767 1.00 20.97 H new ATOM 598 N ASP X 74 43.198 27.205 102.707 1.00 24.16 N ATOM 599 CA ASP X 74 44.366 27.493 101.887 1.00 19.92 C ATOM 600 C ASP X 74 45.344 28.307 102.702 1.00 28.05 C ATOM 601 O ASP X 74 44.934 29.100 103.543 1.00 32.63 O ATOM 602 CB ASP X 74 43.994 28.260 100.621 1.00 20.80 C ATOM 603 CG ASP X 74 42.927 27.574 99.823 1.00 25.05 C ATOM 604 OD1 ASP X 74 42.707 26.357 100.024 1.00 30.62 O ATOM 605 OD2 ASP X 74 42.307 28.259 98.985 1.00 39.23 O ATOM 0 H ASP X 74 42.600 27.823 102.710 1.00 24.16 H new ATOM 0 HA ASP X 74 44.764 26.651 101.614 1.00 19.92 H new ATOM 0 HB2 ASP X 74 43.691 29.149 100.863 1.00 20.80 H new ATOM 0 HB3 ASP X 74 44.785 28.370 100.070 1.00 20.80 H new ATOM 606 N VAL X 75 46.632 28.126 102.432 1.00 24.62 N ATOM 607 CA VAL X 75 47.673 28.700 103.267 1.00 28.51 C ATOM 608 C VAL X 75 48.518 29.646 102.447 1.00 20.64 C ATOM 609 O VAL X 75 48.846 29.362 101.297 1.00 28.49 O ATOM 610 CB VAL X 75 48.582 27.610 103.897 1.00 25.49 C ATOM 611 CG1 VAL X 75 49.529 28.218 104.915 1.00 16.05 C ATOM 612 CG2 VAL X 75 47.737 26.537 104.552 1.00 35.39 C ATOM 0 H VAL X 75 46.923 27.670 101.764 1.00 24.62 H new ATOM 0 HA VAL X 75 47.238 29.178 103.990 1.00 28.51 H new ATOM 0 HB VAL X 75 49.109 27.209 103.188 1.00 25.49 H new ATOM 0 HG11 VAL X 75 50.086 27.521 105.295 1.00 16.05 H new ATOM 0 HG12 VAL X 75 50.090 28.879 104.481 1.00 16.05 H new ATOM 0 HG13 VAL X 75 49.017 28.643 105.621 1.00 16.05 H new ATOM 0 HG21 VAL X 75 48.315 25.862 104.942 1.00 35.39 H new ATOM 0 HG22 VAL X 75 47.191 26.935 105.248 1.00 35.39 H new ATOM 0 HG23 VAL X 75 47.163 26.126 103.887 1.00 35.39 H new ATOM 613 N ILE X 76 48.845 30.788 103.034 1.00 20.02 N ATOM 614 CA ILE X 76 49.777 31.717 102.417 1.00 22.20 C ATOM 615 C ILE X 76 50.819 32.070 103.469 1.00 20.15 C ATOM 616 O ILE X 76 50.563 31.926 104.666 1.00 19.74 O ATOM 617 CB ILE X 76 49.067 32.984 101.873 1.00 27.30 C ATOM 618 CG1 ILE X 76 48.387 33.759 103.008 1.00 23.57 C ATOM 619 CG2 ILE X 76 48.042 32.595 100.799 1.00 19.27 C ATOM 620 CD1 ILE X 76 47.807 35.106 102.594 1.00 20.13 C ATOM 0 H ILE X 76 48.536 31.045 103.794 1.00 20.02 H new ATOM 0 HA ILE X 76 50.195 31.304 101.645 1.00 22.20 H new ATOM 0 HB ILE X 76 49.735 33.562 101.473 1.00 27.30 H new ATOM 0 HG12 ILE X 76 47.675 33.213 103.376 1.00 23.57 H new ATOM 0 HG13 ILE X 76 49.032 33.902 103.719 1.00 23.57 H new ATOM 0 HG21 ILE X 76 47.604 33.393 100.465 1.00 19.27 H new ATOM 0 HG22 ILE X 76 48.494 32.145 100.068 1.00 19.27 H new ATOM 0 HG23 ILE X 76 47.380 32.000 101.184 1.00 19.27 H new ATOM 0 HD11 ILE X 76 47.397 35.532 103.363 1.00 20.13 H new ATOM 0 HD12 ILE X 76 48.516 35.672 102.251 1.00 20.13 H new ATOM 0 HD13 ILE X 76 47.139 34.972 101.904 1.00 20.13 H new ATOM 621 N HIS X 77 51.990 32.520 103.028 1.00 27.91 N ATOM 622 CA HIS X 77 53.113 32.729 103.935 1.00 25.10 C ATOM 623 C HIS X 77 53.645 34.143 103.853 1.00 27.21 C ATOM 624 O HIS X 77 54.548 34.529 104.604 1.00 22.40 O ATOM 625 CB HIS X 77 54.229 31.726 103.629 1.00 28.50 C ATOM 626 CG HIS X 77 53.816 30.305 103.828 1.00 28.02 C ATOM 627 ND1 HIS X 77 53.487 29.796 105.067 1.00 26.04 N ATOM 628 CD2 HIS X 77 53.640 29.294 102.945 1.00 25.87 C ATOM 629 CE1 HIS X 77 53.143 28.527 104.940 1.00 25.52 C ATOM 630 NE2 HIS X 77 53.221 28.199 103.662 1.00 29.69 N ATOM 0 H HIS X 77 52.155 32.710 102.206 1.00 27.91 H new ATOM 0 HA HIS X 77 52.792 32.588 104.840 1.00 25.10 H new ATOM 0 HB2 HIS X 77 54.521 31.846 102.712 1.00 28.50 H new ATOM 0 HB3 HIS X 77 54.992 31.917 104.197 1.00 28.50 H new ATOM 0 HD1 HIS X 77 53.503 30.236 105.806 1.00 26.04 H new ATOM 0 HD2 HIS X 77 53.777 29.333 102.026 1.00 25.87 H new ATOM 0 HE1 HIS X 77 52.889 27.960 105.632 1.00 25.52 H new ATOM 631 N SER X 78 53.071 34.918 102.941 1.00 27.16 N ATOM 632 CA SER X 78 53.451 36.313 102.781 1.00 26.78 C ATOM 633 C SER X 78 52.218 37.198 102.695 1.00 22.91 C ATOM 634 O SER X 78 51.185 36.784 102.162 1.00 24.03 O ATOM 635 CB SER X 78 54.317 36.497 101.529 1.00 29.10 C ATOM 636 OG SER X 78 54.607 37.867 101.304 1.00 49.44 O ATOM 0 H SER X 78 52.456 34.652 102.402 1.00 27.16 H new ATOM 0 HA SER X 78 53.968 36.575 103.559 1.00 26.78 H new ATOM 0 HB2 SER X 78 55.144 36.001 101.629 1.00 29.10 H new ATOM 0 HB3 SER X 78 53.857 36.130 100.758 1.00 29.10 H new ATOM 0 HG SER X 78 55.082 37.944 100.616 1.00 49.44 H new ATOM 637 N ILE X 79 52.328 38.405 103.242 1.00 25.62 N ATOM 638 CA ILE X 79 51.349 39.457 102.995 1.00 25.73 C ATOM 639 C ILE X 79 51.089 39.580 101.494 1.00 26.16 C ATOM 640 O ILE X 79 49.938 39.649 101.058 1.00 24.39 O ATOM 641 CB ILE X 79 51.835 40.816 103.552 1.00 28.74 C ATOM 642 CG1 ILE X 79 51.502 40.937 105.035 1.00 28.17 C ATOM 643 CG2 ILE X 79 51.188 41.962 102.810 1.00 40.23 C ATOM 644 CD1 ILE X 79 50.024 40.911 105.319 1.00 29.54 C ATOM 0 H ILE X 79 52.970 38.636 103.765 1.00 25.62 H new ATOM 0 HA ILE X 79 50.527 39.218 103.451 1.00 25.73 H new ATOM 0 HB ILE X 79 52.796 40.857 103.430 1.00 28.74 H new ATOM 0 HG12 ILE X 79 51.930 40.212 105.516 1.00 28.17 H new ATOM 0 HG13 ILE X 79 51.876 41.764 105.377 1.00 28.17 H new ATOM 0 HG21 ILE X 79 51.505 42.803 103.174 1.00 40.23 H new ATOM 0 HG22 ILE X 79 51.418 41.910 101.869 1.00 40.23 H new ATOM 0 HG23 ILE X 79 50.225 41.910 102.910 1.00 40.23 H new ATOM 0 HD11 ILE X 79 49.876 40.991 106.274 1.00 29.54 H new ATOM 0 HD12 ILE X 79 49.594 41.651 104.862 1.00 29.54 H new ATOM 0 HD13 ILE X 79 49.648 40.074 105.003 1.00 29.54 H new ATOM 645 N GLU X 80 52.170 39.567 100.712 1.00 27.23 N ATOM 646 CA GLU X 80 52.110 39.809 99.267 1.00 25.83 C ATOM 647 C GLU X 80 51.211 38.814 98.545 1.00 29.33 C ATOM 648 O GLU X 80 50.631 39.138 97.512 1.00 33.72 O ATOM 649 CB GLU X 80 53.521 39.779 98.670 1.00 29.89 C ATOM 650 CG GLU X 80 54.507 40.692 99.398 1.00 44.14 C ATOM 651 CD GLU X 80 54.147 42.175 99.277 1.00 66.85 C ATOM 652 OE1 GLU X 80 53.719 42.596 98.176 1.00 60.64 O ATOM 653 OE2 GLU X 80 54.295 42.919 100.278 1.00 52.93 O ATOM 0 H GLU X 80 52.964 39.417 101.006 1.00 27.23 H new ATOM 0 HA GLU X 80 51.720 40.688 99.139 1.00 25.83 H new ATOM 0 HB2 GLU X 80 53.856 38.869 98.693 1.00 29.89 H new ATOM 0 HB3 GLU X 80 53.476 40.041 97.737 1.00 29.89 H new ATOM 0 HG2 GLU X 80 54.536 40.446 100.336 1.00 44.14 H new ATOM 0 HG3 GLU X 80 55.397 40.550 99.040 1.00 44.14 H new ATOM 654 N ASP X 81 51.059 37.618 99.111 1.00 25.96 N ATOM 655 CA ASP X 81 50.186 36.605 98.528 1.00 24.89 C ATOM 656 C ASP X 81 48.714 37.023 98.534 1.00 35.46 C ATOM 657 O ASP X 81 47.914 36.507 97.748 1.00 30.26 O ATOM 658 CB ASP X 81 50.348 35.278 99.276 1.00 26.91 C ATOM 659 CG ASP X 81 51.731 34.677 99.095 1.00 30.61 C ATOM 660 OD1 ASP X 81 52.194 34.589 97.939 1.00 35.53 O ATOM 661 OD2 ASP X 81 52.364 34.323 100.109 1.00 34.96 O ATOM 0 H ASP X 81 51.454 37.374 99.835 1.00 25.96 H new ATOM 0 HA ASP X 81 50.454 36.500 97.602 1.00 24.89 H new ATOM 0 HB2 ASP X 81 50.181 35.420 100.221 1.00 26.91 H new ATOM 0 HB3 ASP X 81 49.681 34.648 98.961 1.00 26.91 H new ATOM 662 N ILE X 82 48.358 37.944 99.428 1.00 30.22 N ATOM 663 CA ILE X 82 46.972 38.390 99.543 1.00 25.29 C ATOM 664 C ILE X 82 46.513 39.008 98.231 1.00 23.71 C ATOM 665 O ILE X 82 45.405 38.729 97.756 1.00 27.90 O ATOM 666 CB ILE X 82 46.787 39.401 100.700 1.00 25.55 C ATOM 667 CG1 ILE X 82 46.987 38.696 102.046 1.00 24.71 C ATOM 668 CG2 ILE X 82 45.404 40.077 100.633 1.00 17.70 C ATOM 669 CD1 ILE X 82 46.975 39.620 103.261 1.00 25.07 C ATOM 0 H ILE X 82 48.903 38.322 99.976 1.00 30.22 H new ATOM 0 HA ILE X 82 46.428 37.612 99.743 1.00 25.29 H new ATOM 0 HB ILE X 82 47.456 40.098 100.610 1.00 25.55 H new ATOM 0 HG12 ILE X 82 46.290 38.030 102.155 1.00 24.71 H new ATOM 0 HG13 ILE X 82 47.832 38.221 102.025 1.00 24.71 H new ATOM 0 HG21 ILE X 82 45.314 40.704 101.367 1.00 17.70 H new ATOM 0 HG22 ILE X 82 45.316 40.551 99.791 1.00 17.70 H new ATOM 0 HG23 ILE X 82 44.710 39.402 100.698 1.00 17.70 H new ATOM 0 HD11 ILE X 82 47.107 39.097 104.067 1.00 25.07 H new ATOM 0 HD12 ILE X 82 47.688 40.272 103.179 1.00 25.07 H new ATOM 0 HD13 ILE X 82 46.122 40.079 103.310 1.00 25.07 H new ATOM 670 N TYR X 83 47.385 39.806 97.624 1.00 24.62 N ATOM 671 CA TYR X 83 47.047 40.524 96.394 1.00 34.81 C ATOM 672 C TYR X 83 46.851 39.599 95.186 1.00 37.74 C ATOM 673 O TYR X 83 46.397 40.042 94.130 1.00 39.96 O ATOM 674 CB TYR X 83 48.128 41.566 96.084 1.00 24.71 C ATOM 675 CG TYR X 83 48.438 42.473 97.251 1.00 26.30 C ATOM 676 CD1 TYR X 83 47.488 43.372 97.733 1.00 34.20 C ATOM 677 CD2 TYR X 83 49.676 42.436 97.875 1.00 29.03 C ATOM 678 CE1 TYR X 83 47.766 44.209 98.810 1.00 31.07 C ATOM 679 CE2 TYR X 83 49.965 43.269 98.953 1.00 34.91 C ATOM 680 CZ TYR X 83 49.007 44.151 99.416 1.00 36.04 C ATOM 681 OH TYR X 83 49.295 44.977 100.479 1.00 35.94 O ATOM 0 H TYR X 83 48.184 39.948 97.909 1.00 24.62 H new ATOM 0 HA TYR X 83 46.195 40.960 96.551 1.00 34.81 H new ATOM 0 HB2 TYR X 83 48.940 41.109 95.813 1.00 24.71 H new ATOM 0 HB3 TYR X 83 47.841 42.106 95.331 1.00 24.71 H new ATOM 0 HD1 TYR X 83 46.652 43.413 97.327 1.00 34.20 H new ATOM 0 HD2 TYR X 83 50.325 41.844 97.568 1.00 29.03 H new ATOM 0 HE1 TYR X 83 47.121 44.803 99.120 1.00 31.07 H new ATOM 0 HE2 TYR X 83 50.800 43.232 99.360 1.00 34.91 H new ATOM 0 HH TYR X 83 50.079 44.831 100.743 1.00 35.94 H new ATOM 682 N GLN X 84 47.175 38.318 95.346 1.00 25.53 N ATOM 683 CA GLN X 84 47.009 37.345 94.266 1.00 37.49 C ATOM 684 C GLN X 84 45.676 36.641 94.360 1.00 36.19 C ATOM 685 O GLN X 84 45.287 35.920 93.453 1.00 31.97 O ATOM 686 CB GLN X 84 48.138 36.315 94.295 1.00 39.29 C ATOM 687 CG GLN X 84 49.459 36.967 94.036 1.00 44.44 C ATOM 688 CD GLN X 84 49.476 37.640 92.687 1.00 51.30 C ATOM 689 OE1 GLN X 84 49.044 37.058 91.685 1.00 63.93 O ATOM 690 NE2 GLN X 84 49.894 38.905 92.663 1.00 37.73 N ATOM 0 H GLN X 84 47.494 37.990 96.074 1.00 25.53 H new ATOM 0 HA GLN X 84 47.040 37.831 93.427 1.00 37.49 H new ATOM 0 HB2 GLN X 84 48.155 35.872 95.158 1.00 39.29 H new ATOM 0 HB3 GLN X 84 47.974 35.630 93.628 1.00 39.29 H new ATOM 0 HG2 GLN X 84 49.642 37.620 94.729 1.00 44.44 H new ATOM 0 HG3 GLN X 84 50.165 36.303 94.079 1.00 44.44 H new ATOM 0 HE21 GLN X 84 50.188 39.274 93.382 1.00 37.73 H new ATOM 0 HE22 GLN X 84 49.870 39.352 91.929 1.00 37.73 H new ATOM 691 N LEU X 85 44.982 36.832 95.472 1.00 30.90 N ATOM 692 CA LEU X 85 43.707 36.167 95.650 1.00 27.20 C ATOM 693 C LEU X 85 42.669 36.847 94.774 1.00 29.43 C ATOM 694 O LEU X 85 42.564 38.074 94.767 1.00 30.65 O ATOM 695 CB LEU X 85 43.286 36.182 97.121 1.00 23.72 C ATOM 696 CG LEU X 85 44.296 35.530 98.064 1.00 24.59 C ATOM 697 CD1 LEU X 85 43.934 35.838 99.508 1.00 21.97 C ATOM 698 CD2 LEU X 85 44.324 34.036 97.830 1.00 24.42 C ATOM 0 H LEU X 85 45.228 37.335 96.125 1.00 30.90 H new ATOM 0 HA LEU X 85 43.787 35.237 95.384 1.00 27.20 H new ATOM 0 HB2 LEU X 85 43.145 37.101 97.398 1.00 23.72 H new ATOM 0 HB3 LEU X 85 42.434 35.726 97.209 1.00 23.72 H new ATOM 0 HG LEU X 85 45.179 35.889 97.886 1.00 24.59 H new ATOM 0 HD11 LEU X 85 44.580 35.421 100.100 1.00 21.97 H new ATOM 0 HD12 LEU X 85 43.943 36.798 99.646 1.00 21.97 H new ATOM 0 HD13 LEU X 85 43.049 35.492 99.701 1.00 21.97 H new ATOM 0 HD21 LEU X 85 44.966 33.626 98.430 1.00 24.42 H new ATOM 0 HD22 LEU X 85 43.443 33.665 97.997 1.00 24.42 H new ATOM 0 HD23 LEU X 85 44.580 33.857 96.912 1.00 24.42 H new ATOM 699 N PRO X 86 41.924 36.052 93.999 1.00 39.25 N ATOM 700 CA PRO X 86 40.833 36.581 93.178 1.00 34.25 C ATOM 701 C PRO X 86 39.544 36.855 93.952 1.00 35.70 C ATOM 702 O PRO X 86 39.269 36.238 94.996 1.00 30.32 O ATOM 703 CB PRO X 86 40.604 35.464 92.156 1.00 27.95 C ATOM 704 CG PRO X 86 41.013 34.224 92.880 1.00 31.40 C ATOM 705 CD PRO X 86 42.206 34.637 93.694 1.00 31.25 C ATOM 0 HA PRO X 86 41.067 37.443 92.800 1.00 34.25 H new ATOM 0 HB2 PRO X 86 39.676 35.423 91.877 1.00 27.95 H new ATOM 0 HB3 PRO X 86 41.135 35.600 91.356 1.00 27.95 H new ATOM 0 HG2 PRO X 86 40.298 33.893 93.445 1.00 31.40 H new ATOM 0 HG3 PRO X 86 41.238 33.512 92.261 1.00 31.40 H new ATOM 0 HD2 PRO X 86 42.292 34.106 94.501 1.00 31.25 H new ATOM 0 HD3 PRO X 86 43.033 34.534 93.197 1.00 31.25 H new ATOM 706 N GLY X 87 38.749 37.776 93.416 1.00 22.37 N ATOM 707 CA GLY X 87 37.396 37.990 93.888 1.00 21.98 C ATOM 708 C GLY X 87 37.341 39.027 94.983 1.00 23.45 C ATOM 709 O GLY X 87 38.251 39.843 95.116 1.00 18.42 O ATOM 0 H GLY X 87 38.983 38.292 92.769 1.00 22.37 H new ATOM 0 HA2 GLY X 87 36.836 38.272 93.148 1.00 21.98 H new ATOM 0 HA3 GLY X 87 37.032 37.153 94.217 1.00 21.98 H new ATOM 710 N HIS X 88 36.268 39.006 95.766 1.00 19.15 N ATOM 711 CA HIS X 88 36.170 39.911 96.908 1.00 24.02 C ATOM 712 C HIS X 88 36.882 39.289 98.117 1.00 16.40 C ATOM 713 O HIS X 88 36.469 38.251 98.619 1.00 16.65 O ATOM 714 CB HIS X 88 34.704 40.222 97.231 1.00 17.86 C ATOM 715 CG HIS X 88 34.521 41.443 98.077 1.00 22.71 C ATOM 716 ND1 HIS X 88 33.286 42.010 98.312 1.00 20.77 N ATOM 717 CD2 HIS X 88 35.421 42.211 98.740 1.00 19.80 C ATOM 718 CE1 HIS X 88 33.433 43.072 99.086 1.00 29.37 C ATOM 719 NE2 HIS X 88 34.717 43.213 99.363 1.00 22.61 N ATOM 0 H HIS X 88 35.594 38.483 95.657 1.00 19.15 H new ATOM 0 HA HIS X 88 36.604 40.750 96.687 1.00 24.02 H new ATOM 0 HB2 HIS X 88 34.215 40.337 96.401 1.00 17.86 H new ATOM 0 HB3 HIS X 88 34.313 39.460 97.687 1.00 17.86 H new ATOM 0 HD2 HIS X 88 36.342 42.083 98.768 1.00 19.80 H new ATOM 0 HE1 HIS X 88 32.748 43.626 99.385 1.00 29.37 H new ATOM 0 HE2 HIS X 88 35.057 43.832 99.854 1.00 22.61 H new ATOM 720 N VAL X 89 37.958 39.925 98.566 1.00 19.75 N ATOM 721 CA VAL X 89 38.768 39.400 99.665 1.00 19.10 C ATOM 722 C VAL X 89 38.573 40.233 100.936 1.00 20.33 C ATOM 723 O VAL X 89 38.801 41.436 100.924 1.00 17.81 O ATOM 724 CB VAL X 89 40.274 39.377 99.277 1.00 25.63 C ATOM 725 CG1 VAL X 89 41.154 39.070 100.479 1.00 19.63 C ATOM 726 CG2 VAL X 89 40.513 38.369 98.164 1.00 20.19 C ATOM 0 H VAL X 89 38.240 40.671 98.245 1.00 19.75 H new ATOM 0 HA VAL X 89 38.474 38.492 99.840 1.00 19.10 H new ATOM 0 HB VAL X 89 40.516 40.260 98.957 1.00 25.63 H new ATOM 0 HG11 VAL X 89 42.085 39.063 100.206 1.00 19.63 H new ATOM 0 HG12 VAL X 89 41.022 39.750 101.159 1.00 19.63 H new ATOM 0 HG13 VAL X 89 40.917 38.202 100.841 1.00 19.63 H new ATOM 0 HG21 VAL X 89 41.454 38.362 97.930 1.00 20.19 H new ATOM 0 HG22 VAL X 89 40.249 37.486 98.465 1.00 20.19 H new ATOM 0 HG23 VAL X 89 39.988 38.615 97.386 1.00 20.19 H new ATOM 727 N PHE X 90 38.135 39.597 102.021 1.00 16.67 N ATOM 728 CA PHE X 90 37.979 40.287 103.301 1.00 14.34 C ATOM 729 C PHE X 90 39.111 39.957 104.256 1.00 23.06 C ATOM 730 O PHE X 90 39.324 38.779 104.575 1.00 14.45 O ATOM 731 CB PHE X 90 36.654 39.918 103.969 1.00 10.66 C ATOM 732 CG PHE X 90 35.446 40.259 103.153 1.00 21.80 C ATOM 733 CD1 PHE X 90 34.944 39.357 102.222 1.00 13.24 C ATOM 734 CD2 PHE X 90 34.801 41.486 103.320 1.00 22.85 C ATOM 735 CE1 PHE X 90 33.827 39.671 101.462 1.00 20.53 C ATOM 736 CE2 PHE X 90 33.677 41.818 102.556 1.00 21.54 C ATOM 737 CZ PHE X 90 33.190 40.909 101.630 1.00 27.76 C ATOM 0 H PHE X 90 37.922 38.764 102.037 1.00 16.67 H new ATOM 0 HA PHE X 90 37.993 41.237 103.106 1.00 14.34 H new ATOM 0 HB2 PHE X 90 36.650 38.966 104.154 1.00 10.66 H new ATOM 0 HB3 PHE X 90 36.595 40.373 104.823 1.00 10.66 H new ATOM 0 HD1 PHE X 90 35.362 38.534 102.107 1.00 13.24 H new ATOM 0 HD2 PHE X 90 35.123 42.091 103.948 1.00 22.85 H new ATOM 0 HE1 PHE X 90 33.500 39.061 100.841 1.00 20.53 H new ATOM 0 HE2 PHE X 90 33.260 42.642 102.669 1.00 21.54 H new ATOM 0 HZ PHE X 90 32.441 41.120 101.120 1.00 27.76 H new ATOM 738 N ILE X 91 39.827 40.985 104.714 1.00 15.32 N ATOM 739 CA ILE X 91 40.768 40.820 105.830 1.00 13.76 C ATOM 740 C ILE X 91 39.985 40.661 107.137 1.00 14.73 C ATOM 741 O ILE X 91 39.300 41.580 107.569 1.00 14.26 O ATOM 742 CB ILE X 91 41.716 42.001 105.959 1.00 14.00 C ATOM 743 CG1 ILE X 91 42.442 42.264 104.635 1.00 15.87 C ATOM 744 CG2 ILE X 91 42.700 41.750 107.097 1.00 17.40 C ATOM 745 CD1 ILE X 91 43.285 41.088 104.155 1.00 18.10 C ATOM 0 H ILE X 91 39.785 41.783 104.396 1.00 15.32 H new ATOM 0 HA ILE X 91 41.300 40.029 105.650 1.00 13.76 H new ATOM 0 HB ILE X 91 41.204 42.798 106.169 1.00 14.00 H new ATOM 0 HG12 ILE X 91 41.787 42.482 103.954 1.00 15.87 H new ATOM 0 HG13 ILE X 91 43.014 43.041 104.737 1.00 15.87 H new ATOM 0 HG21 ILE X 91 43.303 42.506 107.176 1.00 17.40 H new ATOM 0 HG22 ILE X 91 42.212 41.638 107.928 1.00 17.40 H new ATOM 0 HG23 ILE X 91 43.211 40.947 106.912 1.00 17.40 H new ATOM 0 HD11 ILE X 91 43.715 41.319 103.317 1.00 18.10 H new ATOM 0 HD12 ILE X 91 43.961 40.882 104.819 1.00 18.10 H new ATOM 0 HD13 ILE X 91 42.716 40.314 104.023 1.00 18.10 H new ATOM 746 N PHE X 92 40.095 39.496 107.762 1.00 13.34 N ATOM 747 CA PHE X 92 39.156 39.081 108.792 1.00 14.84 C ATOM 748 C PHE X 92 39.747 39.157 110.199 1.00 17.52 C ATOM 749 O PHE X 92 39.013 39.086 111.182 1.00 16.10 O ATOM 750 CB PHE X 92 38.692 37.656 108.483 1.00 12.65 C ATOM 751 CG PHE X 92 37.524 37.175 109.311 1.00 12.31 C ATOM 752 CD1 PHE X 92 36.277 37.768 109.200 1.00 23.62 C ATOM 753 CD2 PHE X 92 37.660 36.072 110.146 1.00 16.42 C ATOM 754 CE1 PHE X 92 35.195 37.295 109.938 1.00 19.23 C ATOM 755 CE2 PHE X 92 36.580 35.593 110.872 1.00 23.02 C ATOM 756 CZ PHE X 92 35.349 36.207 110.769 1.00 18.57 C ATOM 0 H PHE X 92 40.717 38.924 107.600 1.00 13.34 H new ATOM 0 HA PHE X 92 38.405 39.695 108.781 1.00 14.84 H new ATOM 0 HB2 PHE X 92 38.450 37.605 107.545 1.00 12.65 H new ATOM 0 HB3 PHE X 92 39.438 37.051 108.617 1.00 12.65 H new ATOM 0 HD1 PHE X 92 36.161 38.490 108.626 1.00 23.62 H new ATOM 0 HD2 PHE X 92 38.486 35.650 110.219 1.00 16.42 H new ATOM 0 HE1 PHE X 92 34.368 37.714 109.870 1.00 19.23 H new ATOM 0 HE2 PHE X 92 36.686 34.856 111.430 1.00 23.02 H new ATOM 0 HZ PHE X 92 34.626 35.888 111.259 1.00 18.57 H new ATOM 757 N GLY X 93 41.062 39.317 110.302 1.00 11.33 N ATOM 758 CA GLY X 93 41.696 39.372 111.618 1.00 14.10 C ATOM 759 C GLY X 93 43.063 38.715 111.644 1.00 17.00 C ATOM 760 O GLY X 93 43.450 38.086 110.654 1.00 17.96 O ATOM 0 H GLY X 93 41.599 39.395 109.635 1.00 11.33 H new ATOM 0 HA2 GLY X 93 41.783 40.299 111.891 1.00 14.10 H new ATOM 0 HA3 GLY X 93 41.121 38.937 112.267 1.00 14.10 H new ATOM 761 N GLY X 94 43.814 38.881 112.738 1.00 14.33 N ATOM 762 CA GLY X 94 43.396 39.676 113.883 1.00 12.74 C ATOM 763 C GLY X 94 44.125 41.007 113.954 1.00 12.43 C ATOM 764 O GLY X 94 44.312 41.686 112.933 1.00 12.35 O ATOM 0 H GLY X 94 44.592 38.527 112.831 1.00 14.33 H new ATOM 0 HA2 GLY X 94 42.440 39.835 113.833 1.00 12.74 H new ATOM 0 HA3 GLY X 94 43.558 39.176 114.698 1.00 12.74 H new ATOM 765 N GLN X 95 44.548 41.389 115.156 1.00 13.84 N ATOM 766 CA GLN X 95 45.203 42.680 115.330 1.00 10.70 C ATOM 767 C GLN X 95 46.428 42.837 114.433 1.00 17.44 C ATOM 768 O GLN X 95 46.621 43.876 113.797 1.00 14.96 O ATOM 769 CB GLN X 95 45.625 42.896 116.783 1.00 10.22 C ATOM 770 CG GLN X 95 46.595 44.077 116.919 1.00 10.82 C ATOM 771 CD GLN X 95 46.945 44.428 118.364 1.00 14.19 C ATOM 772 OE1 GLN X 95 46.172 44.178 119.287 1.00 12.42 O ATOM 773 NE2 GLN X 95 48.109 45.032 118.552 1.00 18.91 N ATOM 0 H GLN X 95 44.467 40.922 115.874 1.00 13.84 H new ATOM 0 HA GLN X 95 44.547 43.348 115.076 1.00 10.70 H new ATOM 0 HB2 GLN X 95 44.839 43.057 117.329 1.00 10.22 H new ATOM 0 HB3 GLN X 95 46.045 42.090 117.122 1.00 10.22 H new ATOM 0 HG2 GLN X 95 47.412 43.870 116.439 1.00 10.82 H new ATOM 0 HG3 GLN X 95 46.205 44.856 116.492 1.00 10.82 H new ATOM 0 HE21 GLN X 95 48.624 45.191 117.882 1.00 18.91 H new ATOM 0 HE22 GLN X 95 48.349 45.265 119.344 1.00 18.91 H new ATOM 774 N THR X 96 47.268 41.807 114.397 1.00 18.50 N ATOM 775 CA THR X 96 48.486 41.864 113.602 1.00 15.09 C ATOM 776 C THR X 96 48.160 42.067 112.113 1.00 16.93 C ATOM 777 O THR X 96 48.743 42.922 111.440 1.00 15.17 O ATOM 778 CB THR X 96 49.334 40.583 113.799 1.00 16.95 C ATOM 779 OG1 THR X 96 49.746 40.482 115.174 1.00 16.43 O ATOM 780 CG2 THR X 96 50.558 40.631 112.931 1.00 19.99 C ATOM 0 H THR X 96 47.151 41.070 114.824 1.00 18.50 H new ATOM 0 HA THR X 96 49.005 42.624 113.907 1.00 15.09 H new ATOM 0 HB THR X 96 48.794 39.815 113.555 1.00 16.95 H new ATOM 0 HG1 THR X 96 49.585 39.708 115.459 1.00 16.43 H new ATOM 0 HG21 THR X 96 51.080 39.824 113.063 1.00 19.99 H new ATOM 0 HG22 THR X 96 50.293 40.695 112.000 1.00 19.99 H new ATOM 0 HG23 THR X 96 51.093 41.405 113.168 1.00 19.99 H new ATOM 781 N LEU X 97 47.218 41.292 111.592 1.00 16.29 N ATOM 782 CA LEU X 97 46.882 41.425 110.183 1.00 17.99 C ATOM 783 C LEU X 97 46.161 42.763 109.899 1.00 18.97 C ATOM 784 O LEU X 97 46.412 43.396 108.872 1.00 17.96 O ATOM 785 CB LEU X 97 46.036 40.237 109.722 1.00 22.67 C ATOM 786 CG LEU X 97 45.859 40.114 108.210 1.00 27.00 C ATOM 787 CD1 LEU X 97 47.203 39.975 107.511 1.00 18.98 C ATOM 788 CD2 LEU X 97 44.965 38.943 107.901 1.00 29.03 C ATOM 0 H LEU X 97 46.772 40.697 112.024 1.00 16.29 H new ATOM 0 HA LEU X 97 47.709 41.428 109.676 1.00 17.99 H new ATOM 0 HB2 LEU X 97 46.442 39.421 110.053 1.00 22.67 H new ATOM 0 HB3 LEU X 97 45.159 40.304 110.132 1.00 22.67 H new ATOM 0 HG LEU X 97 45.443 40.924 107.876 1.00 27.00 H new ATOM 0 HD11 LEU X 97 47.064 39.899 106.554 1.00 18.98 H new ATOM 0 HD12 LEU X 97 47.747 40.756 107.697 1.00 18.98 H new ATOM 0 HD13 LEU X 97 47.656 39.181 107.836 1.00 18.98 H new ATOM 0 HD21 LEU X 97 44.853 38.866 106.941 1.00 29.03 H new ATOM 0 HD22 LEU X 97 45.366 38.130 108.246 1.00 29.03 H new ATOM 0 HD23 LEU X 97 44.099 39.078 108.317 1.00 29.03 H new ATOM 789 N PHE X 98 45.285 43.199 110.806 1.00 12.11 N ATOM 790 CA PHE X 98 44.650 44.510 110.647 1.00 17.93 C ATOM 791 C PHE X 98 45.711 45.607 110.565 1.00 17.54 C ATOM 792 O PHE X 98 45.625 46.481 109.700 1.00 15.98 O ATOM 793 CB PHE X 98 43.664 44.793 111.785 1.00 9.44 C ATOM 794 CG PHE X 98 42.395 43.986 111.697 1.00 12.88 C ATOM 795 CD1 PHE X 98 41.796 43.752 110.467 1.00 11.08 C ATOM 796 CD2 PHE X 98 41.808 43.460 112.835 1.00 8.26 C ATOM 797 CE1 PHE X 98 40.628 43.009 110.369 1.00 8.47 C ATOM 798 CE2 PHE X 98 40.650 42.707 112.749 1.00 11.05 C ATOM 799 CZ PHE X 98 40.055 42.482 111.515 1.00 8.71 C ATOM 0 H PHE X 98 45.048 42.761 111.507 1.00 12.11 H new ATOM 0 HA PHE X 98 44.147 44.502 109.818 1.00 17.93 H new ATOM 0 HB2 PHE X 98 44.098 44.608 112.633 1.00 9.44 H new ATOM 0 HB3 PHE X 98 43.439 45.737 111.781 1.00 9.44 H new ATOM 0 HD1 PHE X 98 42.184 44.099 109.696 1.00 11.08 H new ATOM 0 HD2 PHE X 98 42.196 43.614 113.666 1.00 8.26 H new ATOM 0 HE1 PHE X 98 40.233 42.866 109.540 1.00 8.47 H new ATOM 0 HE2 PHE X 98 40.270 42.351 113.519 1.00 11.05 H new ATOM 0 HZ PHE X 98 39.275 41.979 111.458 1.00 8.71 H new ATOM 800 N GLU X 99 46.726 45.539 111.429 1.00 10.25 N ATOM 801 CA GLU X 99 47.798 46.533 111.416 1.00 14.26 C ATOM 802 C GLU X 99 48.564 46.514 110.096 1.00 15.78 C ATOM 803 O GLU X 99 48.932 47.558 109.557 1.00 17.22 O ATOM 804 CB GLU X 99 48.759 46.306 112.586 1.00 12.08 C ATOM 805 CG GLU X 99 48.177 46.708 113.941 1.00 22.78 C ATOM 806 CD GLU X 99 49.049 46.290 115.136 1.00 18.46 C ATOM 807 OE1 GLU X 99 48.695 46.659 116.274 1.00 20.11 O ATOM 808 OE2 GLU X 99 50.065 45.580 114.947 1.00 23.13 O ATOM 0 H GLU X 99 46.811 44.927 112.028 1.00 10.25 H new ATOM 0 HA GLU X 99 47.386 47.406 111.511 1.00 14.26 H new ATOM 0 HB2 GLU X 99 49.007 45.369 112.614 1.00 12.08 H new ATOM 0 HB3 GLU X 99 49.573 46.810 112.429 1.00 12.08 H new ATOM 0 HG2 GLU X 99 48.056 47.670 113.960 1.00 22.78 H new ATOM 0 HG3 GLU X 99 47.298 46.310 114.037 1.00 22.78 H new ATOM 809 N GLU X 100 48.785 45.323 109.560 1.00 19.15 N ATOM 810 CA GLU X 100 49.504 45.187 108.302 1.00 15.87 C ATOM 811 C GLU X 100 48.686 45.633 107.099 1.00 21.96 C ATOM 812 O GLU X 100 49.253 46.012 106.081 1.00 20.14 O ATOM 813 CB GLU X 100 49.950 43.738 108.116 1.00 13.85 C ATOM 814 CG GLU X 100 50.892 43.268 109.227 1.00 18.59 C ATOM 815 CD GLU X 100 51.293 41.807 109.097 1.00 20.46 C ATOM 816 OE1 GLU X 100 50.570 40.929 109.625 1.00 18.42 O ATOM 817 OE2 GLU X 100 52.340 41.545 108.471 1.00 19.93 O ATOM 0 H GLU X 100 48.527 44.580 109.908 1.00 19.15 H new ATOM 0 HA GLU X 100 50.275 45.773 108.352 1.00 15.87 H new ATOM 0 HB2 GLU X 100 49.169 43.163 108.093 1.00 13.85 H new ATOM 0 HB3 GLU X 100 50.395 43.647 107.259 1.00 13.85 H new ATOM 0 HG2 GLU X 100 51.691 43.818 109.219 1.00 18.59 H new ATOM 0 HG3 GLU X 100 50.462 43.404 110.086 1.00 18.59 H new ATOM 818 N MET X 101 47.358 45.595 107.204 1.00 17.89 N ATOM 819 CA MET X 101 46.530 45.782 106.011 1.00 13.41 C ATOM 820 C MET X 101 45.701 47.074 105.961 1.00 17.76 C ATOM 821 O MET X 101 45.185 47.425 104.898 1.00 17.79 O ATOM 822 CB MET X 101 45.591 44.584 105.843 1.00 13.07 C ATOM 823 CG MET X 101 46.297 43.259 105.507 1.00 24.21 C ATOM 824 SD MET X 101 47.450 43.388 104.103 1.00 24.02 S ATOM 825 CE MET X 101 46.300 43.677 102.766 1.00 15.14 C ATOM 0 H MET X 101 46.925 45.466 107.936 1.00 17.89 H new ATOM 0 HA MET X 101 47.166 45.857 105.283 1.00 13.41 H new ATOM 0 HB2 MET X 101 45.084 44.468 106.662 1.00 13.07 H new ATOM 0 HB3 MET X 101 44.953 44.784 105.140 1.00 13.07 H new ATOM 0 HG2 MET X 101 46.783 42.952 106.288 1.00 24.21 H new ATOM 0 HG3 MET X 101 45.628 42.586 105.306 1.00 24.21 H new ATOM 0 HE1 MET X 101 46.778 43.673 101.922 1.00 15.14 H new ATOM 0 HE2 MET X 101 45.628 42.977 102.760 1.00 15.14 H new ATOM 0 HE3 MET X 101 45.869 44.537 102.890 1.00 15.14 H new ATOM 826 N ILE X 102 45.574 47.782 107.079 1.00 14.10 N ATOM 827 CA ILE X 102 44.617 48.897 107.145 1.00 19.10 C ATOM 828 C ILE X 102 44.969 50.020 106.172 1.00 23.26 C ATOM 829 O ILE X 102 44.072 50.677 105.652 1.00 22.53 O ATOM 830 CB ILE X 102 44.487 49.488 108.578 1.00 16.24 C ATOM 831 CG1 ILE X 102 43.313 50.482 108.643 1.00 20.87 C ATOM 832 CG2 ILE X 102 45.814 50.107 109.071 1.00 15.95 C ATOM 833 CD1 ILE X 102 42.840 50.804 110.063 1.00 14.37 C ATOM 0 H ILE X 102 46.021 47.642 107.800 1.00 14.10 H new ATOM 0 HA ILE X 102 43.763 48.514 106.889 1.00 19.10 H new ATOM 0 HB ILE X 102 44.291 48.761 109.189 1.00 16.24 H new ATOM 0 HG12 ILE X 102 43.576 51.307 108.206 1.00 20.87 H new ATOM 0 HG13 ILE X 102 42.568 50.120 108.139 1.00 20.87 H new ATOM 0 HG21 ILE X 102 45.693 50.463 109.965 1.00 15.95 H new ATOM 0 HG22 ILE X 102 46.504 49.425 109.086 1.00 15.95 H new ATOM 0 HG23 ILE X 102 46.080 50.822 108.472 1.00 15.95 H new ATOM 0 HD11 ILE X 102 42.103 51.433 110.024 1.00 14.37 H new ATOM 0 HD12 ILE X 102 42.546 49.989 110.499 1.00 14.37 H new ATOM 0 HD13 ILE X 102 43.571 51.195 110.567 1.00 14.37 H new ATOM 834 N ASP X 103 46.260 50.205 105.897 1.00 16.96 N ATOM 835 CA ASP X 103 46.719 51.187 104.910 1.00 21.19 C ATOM 836 C ASP X 103 46.643 50.691 103.474 1.00 20.27 C ATOM 837 O ASP X 103 46.959 51.429 102.557 1.00 23.13 O ATOM 838 CB ASP X 103 48.167 51.609 105.200 1.00 23.88 C ATOM 839 CG ASP X 103 48.286 52.486 106.433 1.00 29.21 C ATOM 840 OD1 ASP X 103 47.386 53.319 106.660 1.00 35.33 O ATOM 841 OD2 ASP X 103 49.278 52.344 107.176 1.00 38.22 O ATOM 0 H ASP X 103 46.895 49.766 106.276 1.00 16.96 H new ATOM 0 HA ASP X 103 46.114 51.940 104.996 1.00 21.19 H new ATOM 0 HB2 ASP X 103 48.714 50.816 105.318 1.00 23.88 H new ATOM 0 HB3 ASP X 103 48.521 52.086 104.433 1.00 23.88 H new ATOM 842 N LYS X 104 46.227 49.446 103.278 1.00 22.36 N ATOM 843 CA LYS X 104 46.225 48.844 101.949 1.00 22.14 C ATOM 844 C LYS X 104 44.822 48.577 101.429 1.00 17.04 C ATOM 845 O LYS X 104 44.604 48.487 100.225 1.00 24.03 O ATOM 846 CB LYS X 104 47.009 47.522 101.953 1.00 21.82 C ATOM 847 CG LYS X 104 48.367 47.588 102.636 1.00 24.26 C ATOM 848 CD LYS X 104 49.379 48.330 101.781 1.00 35.52 C ATOM 849 CE LYS X 104 50.674 48.569 102.549 1.00 45.37 C ATOM 850 NZ LYS X 104 51.602 49.456 101.795 1.00 49.83 N ATOM 0 H LYS X 104 45.941 48.930 103.904 1.00 22.36 H new ATOM 0 HA LYS X 104 46.650 49.487 101.360 1.00 22.14 H new ATOM 0 HB2 LYS X 104 46.473 46.844 102.392 1.00 21.82 H new ATOM 0 HB3 LYS X 104 47.136 47.233 101.036 1.00 21.82 H new ATOM 0 HG2 LYS X 104 48.279 48.031 103.494 1.00 24.26 H new ATOM 0 HG3 LYS X 104 48.687 46.689 102.813 1.00 24.26 H new ATOM 0 HD2 LYS X 104 49.565 47.819 100.978 1.00 35.52 H new ATOM 0 HD3 LYS X 104 49.006 49.179 101.497 1.00 35.52 H new ATOM 0 HE2 LYS X 104 50.472 48.968 103.410 1.00 45.37 H new ATOM 0 HE3 LYS X 104 51.108 47.720 102.725 1.00 45.37 H new ATOM 0 HZ1 LYS X 104 52.347 49.577 102.267 1.00 49.83 H new ATOM 0 HZ2 LYS X 104 51.804 49.080 101.014 1.00 49.83 H new ATOM 0 HZ3 LYS X 104 51.211 50.243 101.652 1.00 49.83 H new ATOM 851 N VAL X 105 43.857 48.435 102.322 1.00 18.80 N ATOM 852 CA VAL X 105 42.540 48.017 101.867 1.00 23.36 C ATOM 853 C VAL X 105 41.763 49.164 101.185 1.00 25.86 C ATOM 854 O VAL X 105 42.006 50.347 101.445 1.00 17.32 O ATOM 855 CB VAL X 105 41.700 47.433 103.026 1.00 15.43 C ATOM 856 CG1 VAL X 105 42.351 46.165 103.559 1.00 18.61 C ATOM 857 CG2 VAL X 105 41.516 48.457 104.141 1.00 8.78 C ATOM 0 H VAL X 105 43.936 48.570 103.168 1.00 18.80 H new ATOM 0 HA VAL X 105 42.690 47.323 101.206 1.00 23.36 H new ATOM 0 HB VAL X 105 40.821 47.210 102.683 1.00 15.43 H new ATOM 0 HG11 VAL X 105 41.816 45.807 104.285 1.00 18.61 H new ATOM 0 HG12 VAL X 105 42.411 45.508 102.848 1.00 18.61 H new ATOM 0 HG13 VAL X 105 43.241 46.370 103.884 1.00 18.61 H new ATOM 0 HG21 VAL X 105 40.987 48.067 104.855 1.00 8.78 H new ATOM 0 HG22 VAL X 105 42.384 48.718 104.488 1.00 8.78 H new ATOM 0 HG23 VAL X 105 41.060 49.238 103.791 1.00 8.78 H new ATOM 858 N ASP X 106 40.841 48.778 100.303 1.00 18.76 N ATOM 859 CA ASP X 106 39.910 49.692 99.646 1.00 25.82 C ATOM 860 C ASP X 106 38.857 50.256 100.605 1.00 19.97 C ATOM 861 O ASP X 106 38.538 51.442 100.576 1.00 21.13 O ATOM 862 CB ASP X 106 39.213 48.963 98.492 1.00 23.52 C ATOM 863 CG ASP X 106 40.204 48.399 97.479 1.00 24.03 C ATOM 864 OD1 ASP X 106 41.165 49.117 97.153 1.00 28.05 O ATOM 865 OD2 ASP X 106 40.032 47.251 97.013 1.00 21.30 O ATOM 0 H ASP X 106 40.738 47.958 100.065 1.00 18.76 H new ATOM 0 HA ASP X 106 40.427 50.443 99.315 1.00 25.82 H new ATOM 0 HB2 ASP X 106 38.672 48.241 98.848 1.00 23.52 H new ATOM 0 HB3 ASP X 106 38.609 49.575 98.044 1.00 23.52 H new ATOM 866 N ASP X 107 38.298 49.389 101.442 1.00 15.59 N ATOM 867 CA ASP X 107 37.207 49.801 102.309 1.00 15.45 C ATOM 868 C ASP X 107 37.145 48.910 103.549 1.00 12.68 C ATOM 869 O ASP X 107 37.874 47.923 103.652 1.00 13.24 O ATOM 870 CB ASP X 107 35.870 49.791 101.532 1.00 8.87 C ATOM 871 CG ASP X 107 35.497 48.425 101.002 1.00 15.84 C ATOM 872 OD1 ASP X 107 36.366 47.521 100.948 1.00 13.05 O ATOM 873 OD2 ASP X 107 34.315 48.256 100.630 1.00 15.42 O ATOM 0 H ASP X 107 38.534 48.566 101.522 1.00 15.59 H new ATOM 0 HA ASP X 107 37.368 50.710 102.608 1.00 15.45 H new ATOM 0 HB2 ASP X 107 35.162 50.110 102.114 1.00 8.87 H new ATOM 0 HB3 ASP X 107 35.929 50.414 100.791 1.00 8.87 H new ATOM 874 N MET X 108 36.304 49.289 104.506 1.00 12.48 N ATOM 875 CA MET X 108 36.189 48.558 105.766 1.00 8.30 C ATOM 876 C MET X 108 34.726 48.395 106.140 1.00 13.42 C ATOM 877 O MET X 108 33.964 49.367 106.096 1.00 13.13 O ATOM 878 CB MET X 108 36.934 49.284 106.894 1.00 6.14 C ATOM 879 CG MET X 108 38.387 49.655 106.566 1.00 10.42 C ATOM 880 SD MET X 108 39.361 50.173 108.002 1.00 13.10 S ATOM 881 CE MET X 108 38.633 51.748 108.434 1.00 8.95 C ATOM 0 H MET X 108 35.786 49.973 104.445 1.00 12.48 H new ATOM 0 HA MET X 108 36.592 47.684 105.646 1.00 8.30 H new ATOM 0 HB2 MET X 108 36.449 50.094 107.117 1.00 6.14 H new ATOM 0 HB3 MET X 108 36.927 48.722 107.684 1.00 6.14 H new ATOM 0 HG2 MET X 108 38.820 48.892 106.152 1.00 10.42 H new ATOM 0 HG3 MET X 108 38.388 50.371 105.912 1.00 10.42 H new ATOM 0 HE1 MET X 108 39.291 52.451 108.318 1.00 8.95 H new ATOM 0 HE2 MET X 108 37.871 51.921 107.859 1.00 8.95 H new ATOM 0 HE3 MET X 108 38.342 51.727 109.359 1.00 8.95 H new ATOM 882 N TYR X 109 34.334 47.165 106.477 1.00 11.16 N ATOM 883 CA TYR X 109 33.036 46.898 107.072 1.00 9.47 C ATOM 884 C TYR X 109 33.211 46.746 108.579 1.00 16.17 C ATOM 885 O TYR X 109 33.626 45.689 109.086 1.00 10.72 O ATOM 886 CB TYR X 109 32.397 45.643 106.471 1.00 17.82 C ATOM 887 CG TYR X 109 32.071 45.781 104.997 1.00 15.66 C ATOM 888 CD1 TYR X 109 33.033 45.537 104.028 1.00 12.45 C ATOM 889 CD2 TYR X 109 30.808 46.193 104.582 1.00 15.12 C ATOM 890 CE1 TYR X 109 32.735 45.678 102.675 1.00 19.23 C ATOM 891 CE2 TYR X 109 30.499 46.330 103.235 1.00 13.89 C ATOM 892 CZ TYR X 109 31.460 46.068 102.290 1.00 17.58 C ATOM 893 OH TYR X 109 31.150 46.214 100.957 1.00 18.86 O ATOM 0 H TYR X 109 34.819 46.464 106.364 1.00 11.16 H new ATOM 0 HA TYR X 109 32.440 47.640 106.884 1.00 9.47 H new ATOM 0 HB2 TYR X 109 32.998 44.892 106.594 1.00 17.82 H new ATOM 0 HB3 TYR X 109 31.583 45.438 106.958 1.00 17.82 H new ATOM 0 HD1 TYR X 109 33.888 45.276 104.285 1.00 12.45 H new ATOM 0 HD2 TYR X 109 30.158 46.380 105.220 1.00 15.12 H new ATOM 0 HE1 TYR X 109 33.387 45.512 102.033 1.00 19.23 H new ATOM 0 HE2 TYR X 109 29.647 46.597 102.975 1.00 13.89 H new ATOM 0 HH TYR X 109 31.771 46.624 100.568 1.00 18.86 H new ATOM 894 N ILE X 110 32.897 47.813 109.299 1.00 9.10 N ATOM 895 CA ILE X 110 33.086 47.826 110.740 1.00 8.18 C ATOM 896 C ILE X 110 31.765 47.710 111.486 1.00 8.14 C ATOM 897 O ILE X 110 30.821 48.440 111.208 1.00 11.59 O ATOM 898 CB ILE X 110 33.802 49.115 111.177 1.00 6.97 C ATOM 899 CG1 ILE X 110 35.145 49.223 110.449 1.00 6.60 C ATOM 900 CG2 ILE X 110 33.953 49.151 112.715 1.00 7.74 C ATOM 901 CD1 ILE X 110 35.985 50.413 110.862 1.00 14.52 C ATOM 0 H ILE X 110 32.573 48.540 108.972 1.00 9.10 H new ATOM 0 HA ILE X 110 33.631 47.055 110.962 1.00 8.18 H new ATOM 0 HB ILE X 110 33.272 49.890 110.932 1.00 6.97 H new ATOM 0 HG12 ILE X 110 35.653 48.412 110.607 1.00 6.60 H new ATOM 0 HG13 ILE X 110 34.980 49.273 109.494 1.00 6.60 H new ATOM 0 HG21 ILE X 110 34.406 49.968 112.977 1.00 7.74 H new ATOM 0 HG22 ILE X 110 33.075 49.122 113.127 1.00 7.74 H new ATOM 0 HG23 ILE X 110 34.473 48.386 113.007 1.00 7.74 H new ATOM 0 HD11 ILE X 110 36.815 50.413 110.360 1.00 14.52 H new ATOM 0 HD12 ILE X 110 35.498 51.232 110.680 1.00 14.52 H new ATOM 0 HD13 ILE X 110 36.181 50.358 111.810 1.00 14.52 H new ATOM 902 N THR X 111 31.685 46.782 112.422 1.00 7.07 N ATOM 903 CA THR X 111 30.603 46.818 113.392 1.00 7.99 C ATOM 904 C THR X 111 31.121 47.502 114.660 1.00 12.97 C ATOM 905 O THR X 111 32.009 46.986 115.334 1.00 13.36 O ATOM 906 CB THR X 111 30.086 45.418 113.729 1.00 9.59 C ATOM 907 OG1 THR X 111 29.740 44.742 112.520 1.00 12.37 O ATOM 908 CG2 THR X 111 28.860 45.509 114.631 1.00 7.64 C ATOM 0 H THR X 111 32.238 46.130 112.515 1.00 7.07 H new ATOM 0 HA THR X 111 29.859 47.310 113.011 1.00 7.99 H new ATOM 0 HB THR X 111 30.780 44.927 114.195 1.00 9.59 H new ATOM 0 HG1 THR X 111 29.902 43.922 112.601 1.00 12.37 H new ATOM 0 HG21 THR X 111 28.543 44.616 114.837 1.00 7.64 H new ATOM 0 HG22 THR X 111 29.096 45.965 115.454 1.00 7.64 H new ATOM 0 HG23 THR X 111 28.160 46.004 114.177 1.00 7.64 H new ATOM 909 N VAL X 112 30.617 48.691 114.957 1.00 11.09 N ATOM 910 CA VAL X 112 30.984 49.350 116.203 1.00 7.43 C ATOM 911 C VAL X 112 30.106 48.814 117.321 1.00 12.82 C ATOM 912 O VAL X 112 28.883 48.969 117.285 1.00 13.09 O ATOM 913 CB VAL X 112 30.822 50.875 116.122 1.00 14.45 C ATOM 914 CG1 VAL X 112 31.186 51.519 117.467 1.00 10.94 C ATOM 915 CG2 VAL X 112 31.683 51.429 115.014 1.00 12.97 C ATOM 0 H VAL X 112 30.069 49.129 114.460 1.00 11.09 H new ATOM 0 HA VAL X 112 31.920 49.162 116.375 1.00 7.43 H new ATOM 0 HB VAL X 112 29.896 51.084 115.925 1.00 14.45 H new ATOM 0 HG11 VAL X 112 31.080 52.481 117.404 1.00 10.94 H new ATOM 0 HG12 VAL X 112 30.601 51.174 118.160 1.00 10.94 H new ATOM 0 HG13 VAL X 112 32.107 51.309 117.688 1.00 10.94 H new ATOM 0 HG21 VAL X 112 31.574 52.392 114.970 1.00 12.97 H new ATOM 0 HG22 VAL X 112 32.613 51.217 115.190 1.00 12.97 H new ATOM 0 HG23 VAL X 112 31.416 51.035 114.169 1.00 12.97 H new ATOM 916 N ILE X 113 30.718 48.137 118.285 1.00 12.46 N ATOM 917 CA ILE X 113 29.989 47.657 119.454 1.00 13.86 C ATOM 918 C ILE X 113 29.984 48.810 120.450 1.00 17.51 C ATOM 919 O ILE X 113 31.043 49.248 120.884 1.00 13.14 O ATOM 920 CB ILE X 113 30.640 46.392 120.100 1.00 20.53 C ATOM 921 CG1 ILE X 113 31.050 45.349 119.042 1.00 17.05 C ATOM 922 CG2 ILE X 113 29.732 45.796 121.150 1.00 12.70 C ATOM 923 CD1 ILE X 113 29.915 44.697 118.330 1.00 9.72 C ATOM 0 H ILE X 113 31.556 47.944 118.282 1.00 12.46 H new ATOM 0 HA ILE X 113 29.095 47.387 119.194 1.00 13.86 H new ATOM 0 HB ILE X 113 31.457 46.676 120.540 1.00 20.53 H new ATOM 0 HG12 ILE X 113 31.621 45.780 118.387 1.00 17.05 H new ATOM 0 HG13 ILE X 113 31.582 44.662 119.473 1.00 17.05 H new ATOM 0 HG21 ILE X 113 30.155 45.014 121.537 1.00 12.70 H new ATOM 0 HG22 ILE X 113 29.567 46.452 121.846 1.00 12.70 H new ATOM 0 HG23 ILE X 113 28.890 45.540 120.742 1.00 12.70 H new ATOM 0 HD11 ILE X 113 30.260 44.059 117.686 1.00 9.72 H new ATOM 0 HD12 ILE X 113 29.352 44.236 118.972 1.00 9.72 H new ATOM 0 HD13 ILE X 113 29.392 45.371 117.868 1.00 9.72 H new ATOM 924 N GLU X 114 28.807 49.314 120.808 1.00 13.79 N ATOM 925 CA GLU X 114 28.755 50.528 121.603 1.00 13.42 C ATOM 926 C GLU X 114 28.877 50.225 123.089 1.00 13.16 C ATOM 927 O GLU X 114 27.965 50.512 123.859 1.00 9.66 O ATOM 928 CB GLU X 114 27.462 51.290 121.330 1.00 10.47 C ATOM 929 CG GLU X 114 27.032 51.286 119.871 1.00 21.89 C ATOM 930 CD GLU X 114 27.590 52.443 119.072 1.00 35.13 C ATOM 931 OE1 GLU X 114 28.368 53.253 119.631 1.00 29.69 O ATOM 932 OE2 GLU X 114 27.233 52.542 117.874 1.00 40.62 O ATOM 0 H GLU X 114 28.043 48.975 120.605 1.00 13.79 H new ATOM 0 HA GLU X 114 29.509 51.080 121.345 1.00 13.42 H new ATOM 0 HB2 GLU X 114 26.752 50.905 121.867 1.00 10.47 H new ATOM 0 HB3 GLU X 114 27.572 52.209 121.622 1.00 10.47 H new ATOM 0 HG2 GLU X 114 27.314 50.454 119.461 1.00 21.89 H new ATOM 0 HG3 GLU X 114 26.063 51.310 119.827 1.00 21.89 H new ATOM 933 N GLY X 115 30.015 49.659 123.482 1.00 11.14 N ATOM 934 CA GLY X 115 30.295 49.329 124.871 1.00 15.92 C ATOM 935 C GLY X 115 31.796 49.335 125.121 1.00 12.60 C ATOM 936 O GLY X 115 32.565 49.460 124.173 1.00 10.27 O ATOM 0 H GLY X 115 30.652 49.454 122.941 1.00 11.14 H new ATOM 0 HA2 GLY X 115 29.860 49.969 125.456 1.00 15.92 H new ATOM 0 HA3 GLY X 115 29.929 48.456 125.083 1.00 15.92 H new ATOM 937 N LYS X 116 32.205 49.219 126.383 1.00 9.51 N ATOM 938 CA LYS X 116 33.631 49.160 126.751 1.00 11.67 C ATOM 939 C LYS X 116 33.930 47.820 127.383 1.00 9.54 C ATOM 940 O LYS X 116 33.480 47.547 128.495 1.00 12.24 O ATOM 941 CB LYS X 116 34.015 50.281 127.726 1.00 6.25 C ATOM 942 CG LYS X 116 34.064 51.670 127.086 1.00 18.63 C ATOM 943 CD LYS X 116 34.209 52.779 128.124 1.00 23.46 C ATOM 944 CE LYS X 116 34.380 54.142 127.432 1.00 42.63 C ATOM 945 NZ LYS X 116 34.397 55.303 128.387 1.00 39.82 N ATOM 0 H LYS X 116 31.668 49.172 127.053 1.00 9.51 H new ATOM 0 HA LYS X 116 34.154 49.277 125.942 1.00 11.67 H new ATOM 0 HB2 LYS X 116 33.378 50.294 128.457 1.00 6.25 H new ATOM 0 HB3 LYS X 116 34.883 50.081 128.110 1.00 6.25 H new ATOM 0 HG2 LYS X 116 34.808 51.712 126.465 1.00 18.63 H new ATOM 0 HG3 LYS X 116 33.255 51.815 126.571 1.00 18.63 H new ATOM 0 HD2 LYS X 116 33.427 52.797 128.698 1.00 23.46 H new ATOM 0 HD3 LYS X 116 34.974 52.600 128.692 1.00 23.46 H new ATOM 0 HE2 LYS X 116 35.207 54.138 126.925 1.00 42.63 H new ATOM 0 HE3 LYS X 116 33.658 54.266 126.796 1.00 42.63 H new ATOM 0 HZ1 LYS X 116 34.498 56.061 127.931 1.00 39.82 H new ATOM 0 HZ2 LYS X 116 33.630 55.328 128.838 1.00 39.82 H new ATOM 0 HZ3 LYS X 116 35.073 55.208 128.958 1.00 39.82 H new ATOM 946 N PHE X 117 34.669 46.982 126.663 1.00 11.24 N ATOM 947 CA PHE X 117 34.976 45.624 127.118 1.00 14.15 C ATOM 948 C PHE X 117 36.422 45.548 127.538 1.00 12.87 C ATOM 949 O PHE X 117 37.233 46.367 127.105 1.00 12.83 O ATOM 950 CB PHE X 117 34.691 44.603 126.006 1.00 14.89 C ATOM 951 CG PHE X 117 33.220 44.442 125.703 1.00 14.24 C ATOM 952 CD1 PHE X 117 32.536 45.409 124.977 1.00 10.22 C ATOM 953 CD2 PHE X 117 32.521 43.334 126.163 1.00 11.18 C ATOM 954 CE1 PHE X 117 31.177 45.275 124.714 1.00 8.08 C ATOM 955 CE2 PHE X 117 31.163 43.191 125.897 1.00 10.68 C ATOM 956 CZ PHE X 117 30.499 44.163 125.176 1.00 8.39 C ATOM 0 H PHE X 117 35.007 47.182 125.898 1.00 11.24 H new ATOM 0 HA PHE X 117 34.410 45.411 127.876 1.00 14.15 H new ATOM 0 HB2 PHE X 117 35.153 44.877 125.198 1.00 14.89 H new ATOM 0 HB3 PHE X 117 35.057 43.743 126.264 1.00 14.89 H new ATOM 0 HD1 PHE X 117 32.993 46.156 124.663 1.00 10.22 H new ATOM 0 HD2 PHE X 117 32.965 42.681 126.654 1.00 11.18 H new ATOM 0 HE1 PHE X 117 30.727 45.930 124.230 1.00 8.08 H new ATOM 0 HE2 PHE X 117 30.704 42.443 126.204 1.00 10.68 H new ATOM 0 HZ PHE X 117 29.591 44.069 125.000 1.00 8.39 H new ATOM 957 N ARG X 118 36.747 44.578 128.382 1.00 12.50 N ATOM 958 CA ARG X 118 38.148 44.251 128.657 1.00 15.65 C ATOM 959 C ARG X 118 38.729 43.548 127.429 1.00 11.33 C ATOM 960 O ARG X 118 38.146 42.579 126.925 1.00 12.44 O ATOM 961 CB ARG X 118 38.281 43.366 129.909 1.00 14.82 C ATOM 962 CG ARG X 118 39.673 42.738 130.041 1.00 32.72 C ATOM 963 CD ARG X 118 39.891 41.995 131.363 1.00 39.72 C ATOM 964 NE ARG X 118 39.645 42.869 132.500 1.00 56.51 N ATOM 965 CZ ARG X 118 38.544 42.824 133.239 1.00 55.58 C ATOM 966 NH1 ARG X 118 37.605 41.925 132.973 1.00 61.50 N ATOM 967 NH2 ARG X 118 38.380 43.671 134.245 1.00 53.22 N ATOM 0 H ARG X 118 36.176 44.096 128.807 1.00 12.50 H new ATOM 0 HA ARG X 118 38.641 45.067 128.835 1.00 15.65 H new ATOM 0 HB2 ARG X 118 38.094 43.898 130.698 1.00 14.82 H new ATOM 0 HB3 ARG X 118 37.614 42.662 129.876 1.00 14.82 H new ATOM 0 HG2 ARG X 118 39.812 42.121 129.306 1.00 32.72 H new ATOM 0 HG3 ARG X 118 40.343 43.435 129.957 1.00 32.72 H new ATOM 0 HD2 ARG X 118 39.300 41.227 131.407 1.00 39.72 H new ATOM 0 HD3 ARG X 118 40.799 41.657 131.402 1.00 39.72 H new ATOM 0 HE ARG X 118 40.247 43.448 132.705 1.00 56.51 H new ATOM 0 HH11 ARG X 118 37.711 41.373 132.322 1.00 61.50 H new ATOM 0 HH12 ARG X 118 36.891 41.895 133.451 1.00 61.50 H new ATOM 0 HH21 ARG X 118 38.989 44.253 134.421 1.00 53.22 H new ATOM 0 HH22 ARG X 118 37.665 43.639 134.722 1.00 53.22 H new ATOM 968 N GLY X 119 39.856 44.031 126.919 1.00 11.48 N ATOM 969 CA GLY X 119 40.456 43.391 125.760 1.00 9.88 C ATOM 970 C GLY X 119 41.951 43.222 125.872 1.00 11.98 C ATOM 971 O GLY X 119 42.576 43.865 126.700 1.00 10.16 O ATOM 0 H GLY X 119 40.281 44.714 127.223 1.00 11.48 H new ATOM 0 HA2 GLY X 119 40.048 42.520 125.633 1.00 9.88 H new ATOM 0 HA3 GLY X 119 40.255 43.916 124.970 1.00 9.88 H new ATOM 972 N ASP X 120 42.530 42.352 125.046 1.00 9.25 N ATOM 973 CA ASP X 120 43.987 42.306 124.919 1.00 10.46 C ATOM 974 C ASP X 120 44.424 42.431 123.459 1.00 10.22 C ATOM 975 O ASP X 120 45.597 42.319 123.139 1.00 11.77 O ATOM 976 CB ASP X 120 44.557 41.022 125.529 1.00 15.78 C ATOM 977 CG ASP X 120 43.920 39.770 124.968 1.00 12.87 C ATOM 978 OD1 ASP X 120 43.468 39.791 123.809 1.00 16.07 O ATOM 979 OD2 ASP X 120 43.858 38.758 125.700 1.00 14.83 O ATOM 0 H ASP X 120 42.105 41.787 124.556 1.00 9.25 H new ATOM 0 HA ASP X 120 44.340 43.064 125.410 1.00 10.46 H new ATOM 0 HB2 ASP X 120 45.514 40.991 125.371 1.00 15.78 H new ATOM 0 HB3 ASP X 120 44.429 41.042 126.490 1.00 15.78 H new ATOM 980 N THR X 121 43.459 42.669 122.583 1.00 9.50 N ATOM 981 CA ATHR X 121 43.763 42.846 121.166 0.58 13.30 C ATOM 982 CA BTHR X 121 43.671 42.739 121.147 0.42 13.45 C ATOM 983 C THR X 121 42.893 43.946 120.600 1.00 14.04 C ATOM 984 O THR X 121 41.715 44.094 120.942 1.00 10.99 O ATOM 985 CB ATHR X 121 43.568 41.556 120.345 0.58 12.21 C ATOM 986 CB BTHR X 121 43.202 41.421 120.497 0.42 12.35 C ATOM 987 OG1ATHR X 121 42.438 40.836 120.849 0.58 13.52 O ATOM 988 OG1BTHR X 121 43.663 40.315 121.289 0.42 13.60 O ATOM 989 CG2ATHR X 121 44.822 40.684 120.418 0.58 14.29 C ATOM 990 CG2BTHR X 121 43.717 41.283 119.099 0.42 11.57 C ATOM 0 H ATHR X 121 42.625 42.732 122.784 0.58 9.50 H new ATOM 0 H BTHR X 121 42.641 42.798 122.814 0.42 9.50 H new ATOM 0 HA ATHR X 121 44.701 43.084 121.100 0.58 13.45 H new ATOM 0 HA BTHR X 121 44.612 42.854 120.940 0.42 13.45 H new ATOM 0 HB ATHR X 121 43.412 41.791 119.417 0.58 12.35 H new ATOM 0 HB BTHR X 121 42.233 41.429 120.459 0.42 12.35 H new ATOM 0 HG1ATHR X 121 42.608 40.013 120.851 0.58 13.60 H new ATOM 0 HG1BTHR X 121 43.238 40.293 122.013 0.42 13.60 H new ATOM 0 HG21ATHR X 121 44.686 39.877 119.898 0.58 11.57 H new ATOM 0 HG21BTHR X 121 43.405 40.446 118.720 0.42 11.57 H new ATOM 0 HG22ATHR X 121 45.579 41.175 120.061 0.58 11.57 H new ATOM 0 HG22BTHR X 121 43.393 42.022 118.560 0.42 11.57 H new ATOM 0 HG23ATHR X 121 44.998 40.447 121.342 0.58 11.57 H new ATOM 0 HG23BTHR X 121 44.687 41.291 119.109 0.42 11.57 H new ATOM 991 N PHE X 122 43.518 44.774 119.770 1.00 9.39 N ATOM 992 CA PHE X 122 42.901 46.036 119.342 1.00 10.10 C ATOM 993 C PHE X 122 42.940 46.271 117.844 1.00 11.15 C ATOM 994 O PHE X 122 43.893 45.893 117.173 1.00 10.16 O ATOM 995 CB PHE X 122 43.597 47.228 120.018 1.00 11.08 C ATOM 996 CG PHE X 122 43.274 47.375 121.472 1.00 11.49 C ATOM 997 CD1 PHE X 122 43.845 46.529 122.416 1.00 6.13 C ATOM 998 CD2 PHE X 122 42.399 48.362 121.895 1.00 9.29 C ATOM 999 CE1 PHE X 122 43.532 46.654 123.759 1.00 11.05 C ATOM 1000 CE2 PHE X 122 42.080 48.500 123.232 1.00 11.57 C ATOM 1001 CZ PHE X 122 42.649 47.640 124.172 1.00 12.47 C ATOM 0 H PHE X 122 44.299 44.628 119.441 1.00 9.39 H new ATOM 0 HA PHE X 122 41.971 45.962 119.607 1.00 10.10 H new ATOM 0 HB2 PHE X 122 44.557 47.130 119.917 1.00 11.08 H new ATOM 0 HB3 PHE X 122 43.345 48.043 119.556 1.00 11.08 H new ATOM 0 HD1 PHE X 122 44.444 45.872 122.142 1.00 6.13 H new ATOM 0 HD2 PHE X 122 42.021 48.939 121.271 1.00 9.29 H new ATOM 0 HE1 PHE X 122 43.913 46.078 124.382 1.00 11.05 H new ATOM 0 HE2 PHE X 122 41.488 49.164 123.505 1.00 11.57 H new ATOM 0 HZ PHE X 122 42.437 47.728 125.073 1.00 12.47 H new ATOM 1002 N PHE X 123 41.913 46.936 117.333 1.00 9.58 N ATOM 1003 CA PHE X 123 41.935 47.430 115.966 1.00 9.57 C ATOM 1004 C PHE X 123 42.776 48.713 115.955 1.00 10.73 C ATOM 1005 O PHE X 123 42.703 49.513 116.891 1.00 13.69 O ATOM 1006 CB PHE X 123 40.505 47.683 115.456 1.00 8.56 C ATOM 1007 CG PHE X 123 40.422 47.904 113.977 1.00 10.45 C ATOM 1008 CD1 PHE X 123 40.501 46.834 113.101 1.00 10.31 C ATOM 1009 CD2 PHE X 123 40.274 49.180 113.458 1.00 7.78 C ATOM 1010 CE1 PHE X 123 40.436 47.028 111.720 1.00 10.82 C ATOM 1011 CE2 PHE X 123 40.205 49.384 112.074 1.00 9.68 C ATOM 1012 CZ PHE X 123 40.288 48.312 111.209 1.00 10.91 C ATOM 0 H PHE X 123 41.190 47.112 117.765 1.00 9.58 H new ATOM 0 HA PHE X 123 42.328 46.774 115.369 1.00 9.57 H new ATOM 0 HB2 PHE X 123 39.947 46.926 115.693 1.00 8.56 H new ATOM 0 HB3 PHE X 123 40.140 48.458 115.911 1.00 8.56 H new ATOM 0 HD1 PHE X 123 40.599 45.973 113.438 1.00 10.31 H new ATOM 0 HD2 PHE X 123 40.220 49.908 114.034 1.00 7.78 H new ATOM 0 HE1 PHE X 123 40.492 46.300 111.144 1.00 10.82 H new ATOM 0 HE2 PHE X 123 40.103 50.245 111.737 1.00 9.68 H new ATOM 0 HZ PHE X 123 40.245 48.448 110.290 1.00 10.91 H new ATOM 1013 N PRO X 124 43.592 48.913 114.915 1.00 10.14 N ATOM 1014 CA PRO X 124 44.419 50.124 114.914 1.00 10.96 C ATOM 1015 C PRO X 124 43.597 51.404 114.841 1.00 16.02 C ATOM 1016 O PRO X 124 42.477 51.382 114.314 1.00 15.09 O ATOM 1017 CB PRO X 124 45.290 49.965 113.653 1.00 11.29 C ATOM 1018 CG PRO X 124 44.613 48.935 112.822 1.00 16.29 C ATOM 1019 CD PRO X 124 43.872 48.035 113.766 1.00 12.85 C ATOM 0 HA PRO X 124 44.929 50.208 115.735 1.00 10.96 H new ATOM 0 HB2 PRO X 124 45.365 50.805 113.174 1.00 11.29 H new ATOM 0 HB3 PRO X 124 46.191 49.689 113.884 1.00 11.29 H new ATOM 0 HG2 PRO X 124 44.003 49.348 112.191 1.00 16.29 H new ATOM 0 HG3 PRO X 124 45.260 48.432 112.303 1.00 16.29 H new ATOM 0 HD2 PRO X 124 43.056 47.693 113.369 1.00 12.85 H new ATOM 0 HD3 PRO X 124 44.406 47.267 114.023 1.00 12.85 H new ATOM 1020 N PRO X 125 44.142 52.510 115.374 1.00 16.87 N ATOM 1021 CA PRO X 125 43.498 53.826 115.243 1.00 13.32 C ATOM 1022 C PRO X 125 43.333 54.202 113.776 1.00 13.06 C ATOM 1023 O PRO X 125 44.155 53.827 112.944 1.00 17.58 O ATOM 1024 CB PRO X 125 44.469 54.780 115.947 1.00 16.54 C ATOM 1025 CG PRO X 125 45.294 53.880 116.867 1.00 20.87 C ATOM 1026 CD PRO X 125 45.412 52.576 116.124 1.00 16.32 C ATOM 0 HA PRO X 125 42.607 53.849 115.626 1.00 13.32 H new ATOM 0 HB2 PRO X 125 45.033 55.244 115.309 1.00 16.54 H new ATOM 0 HB3 PRO X 125 43.994 55.459 116.451 1.00 16.54 H new ATOM 0 HG2 PRO X 125 46.167 54.264 117.045 1.00 20.87 H new ATOM 0 HG3 PRO X 125 44.857 53.758 117.725 1.00 20.87 H new ATOM 0 HD2 PRO X 125 46.180 52.567 115.532 1.00 16.32 H new ATOM 0 HD3 PRO X 125 45.512 51.825 116.729 1.00 16.32 H new ATOM 1027 N TYR X 126 42.248 54.900 113.473 1.00 14.47 N ATOM 1028 CA TYR X 126 41.969 55.386 112.135 1.00 16.25 C ATOM 1029 C TYR X 126 41.162 56.659 112.301 1.00 22.26 C ATOM 1030 O TYR X 126 40.475 56.828 113.300 1.00 18.53 O ATOM 1031 CB TYR X 126 41.201 54.354 111.297 1.00 8.33 C ATOM 1032 CG TYR X 126 39.844 53.955 111.862 1.00 15.55 C ATOM 1033 CD1 TYR X 126 39.733 52.934 112.797 1.00 12.99 C ATOM 1034 CD2 TYR X 126 38.672 54.588 111.447 1.00 15.74 C ATOM 1035 CE1 TYR X 126 38.498 52.551 113.310 1.00 12.41 C ATOM 1036 CE2 TYR X 126 37.431 54.220 111.966 1.00 12.01 C ATOM 1037 CZ TYR X 126 37.354 53.196 112.895 1.00 14.94 C ATOM 1038 OH TYR X 126 36.140 52.803 113.412 1.00 16.19 O ATOM 0 H TYR X 126 41.644 55.107 114.050 1.00 14.47 H new ATOM 0 HA TYR X 126 42.796 55.551 111.656 1.00 16.25 H new ATOM 0 HB2 TYR X 126 41.073 54.711 110.404 1.00 8.33 H new ATOM 0 HB3 TYR X 126 41.747 53.557 111.208 1.00 8.33 H new ATOM 0 HD1 TYR X 126 40.501 52.497 113.086 1.00 12.99 H new ATOM 0 HD2 TYR X 126 38.719 55.267 110.813 1.00 15.74 H new ATOM 0 HE1 TYR X 126 38.445 51.861 113.932 1.00 12.41 H new ATOM 0 HE2 TYR X 126 36.660 54.660 111.690 1.00 12.01 H new ATOM 0 HH TYR X 126 36.252 52.146 113.923 1.00 16.19 H new ATOM 1039 N THR X 127 41.240 57.561 111.334 1.00 20.93 N ATOM 1040 CA THR X 127 40.498 58.811 111.452 1.00 28.16 C ATOM 1041 C THR X 127 39.462 58.952 110.333 1.00 23.28 C ATOM 1042 O THR X 127 39.693 58.508 109.204 1.00 25.09 O ATOM 1043 CB THR X 127 41.468 60.013 111.461 1.00 26.82 C ATOM 1044 OG1 THR X 127 40.730 61.224 111.291 1.00 33.97 O ATOM 1045 CG2 THR X 127 42.503 59.880 110.355 1.00 25.17 C ATOM 0 H THR X 127 41.705 57.475 110.616 1.00 20.93 H new ATOM 0 HA THR X 127 40.017 58.797 112.294 1.00 28.16 H new ATOM 0 HB THR X 127 41.932 60.031 112.313 1.00 26.82 H new ATOM 0 HG1 THR X 127 41.258 61.877 111.297 1.00 33.97 H new ATOM 0 HG21 THR X 127 43.101 60.643 110.378 1.00 25.17 H new ATOM 0 HG22 THR X 127 43.013 59.066 110.486 1.00 25.17 H new ATOM 0 HG23 THR X 127 42.055 59.846 109.495 1.00 25.17 H new ATOM 1046 N PHE X 128 38.309 59.544 110.639 1.00 36.10 N ATOM 1047 CA PHE X 128 37.280 59.735 109.613 1.00 25.18 C ATOM 1048 C PHE X 128 37.692 60.772 108.569 1.00 33.43 C ATOM 1049 O PHE X 128 37.025 60.923 107.554 1.00 37.01 O ATOM 1050 CB PHE X 128 35.947 60.124 110.246 1.00 33.18 C ATOM 1051 CG PHE X 128 35.256 58.979 110.930 1.00 41.57 C ATOM 1052 CD1 PHE X 128 34.595 58.014 110.190 1.00 25.51 C ATOM 1053 CD2 PHE X 128 35.295 58.851 112.310 1.00 39.20 C ATOM 1054 CE1 PHE X 128 33.976 56.950 110.811 1.00 27.80 C ATOM 1055 CE2 PHE X 128 34.677 57.786 112.935 1.00 29.81 C ATOM 1056 CZ PHE X 128 34.020 56.834 112.183 1.00 28.11 C ATOM 0 H PHE X 128 38.103 59.838 111.420 1.00 36.10 H new ATOM 0 HA PHE X 128 37.176 58.885 109.156 1.00 25.18 H new ATOM 0 HB2 PHE X 128 36.097 60.834 110.890 1.00 33.18 H new ATOM 0 HB3 PHE X 128 35.363 60.482 109.560 1.00 33.18 H new ATOM 0 HD1 PHE X 128 34.568 58.084 109.263 1.00 25.51 H new ATOM 0 HD2 PHE X 128 35.741 59.488 112.819 1.00 39.20 H new ATOM 0 HE1 PHE X 128 33.529 56.311 110.304 1.00 27.80 H new ATOM 0 HE2 PHE X 128 34.704 57.711 113.862 1.00 29.81 H new ATOM 0 HZ PHE X 128 33.607 56.114 112.602 1.00 28.11 H new ATOM 1057 N GLU X 129 38.799 61.471 108.810 1.00 23.70 N ATOM 1058 CA GLU X 129 39.379 62.350 107.795 1.00 44.88 C ATOM 1059 C GLU X 129 39.845 61.557 106.577 1.00 37.38 C ATOM 1060 O GLU X 129 39.980 62.108 105.485 1.00 47.57 O ATOM 1061 CB GLU X 129 40.564 63.143 108.360 1.00 40.67 C ATOM 1062 CG GLU X 129 40.234 64.065 109.523 1.00 57.74 C ATOM 1063 CD GLU X 129 41.488 64.541 110.253 1.00 76.96 C ATOM 1064 OE1 GLU X 129 42.589 64.486 109.654 1.00 65.42 O ATOM 1065 OE2 GLU X 129 41.374 64.954 111.429 1.00 70.76 O ATOM 0 H GLU X 129 39.230 61.451 109.554 1.00 23.70 H new ATOM 0 HA GLU X 129 38.682 62.968 107.524 1.00 44.88 H new ATOM 0 HB2 GLU X 129 41.246 62.516 108.647 1.00 40.67 H new ATOM 0 HB3 GLU X 129 40.949 63.674 107.645 1.00 40.67 H new ATOM 0 HG2 GLU X 129 39.741 64.833 109.195 1.00 57.74 H new ATOM 0 HG3 GLU X 129 39.654 63.601 110.147 1.00 57.74 H new ATOM 1066 N ASP X 130 40.097 60.265 106.770 1.00 28.85 N ATOM 1067 CA ASP X 130 40.614 59.407 105.705 1.00 26.20 C ATOM 1068 C ASP X 130 39.539 58.511 105.115 1.00 21.66 C ATOM 1069 O ASP X 130 39.777 57.841 104.110 1.00 27.72 O ATOM 1070 CB ASP X 130 41.753 58.521 106.222 1.00 26.69 C ATOM 1071 CG ASP X 130 42.931 59.315 106.732 1.00 38.08 C ATOM 1072 OD1 ASP X 130 43.017 60.527 106.432 1.00 36.63 O ATOM 1073 OD2 ASP X 130 43.776 58.715 107.428 1.00 29.53 O ATOM 0 H ASP X 130 39.974 59.861 107.519 1.00 28.85 H new ATOM 0 HA ASP X 130 40.940 60.002 105.012 1.00 26.20 H new ATOM 0 HB2 ASP X 130 41.418 57.955 106.935 1.00 26.69 H new ATOM 0 HB3 ASP X 130 42.049 57.934 105.509 1.00 26.69 H new ATOM 1074 N TRP X 131 38.369 58.485 105.749 1.00 18.13 N ATOM 1075 CA TRP X 131 37.341 57.507 105.400 1.00 22.21 C ATOM 1076 C TRP X 131 35.966 58.127 105.250 1.00 27.54 C ATOM 1077 O TRP X 131 35.458 58.753 106.178 1.00 30.94 O ATOM 1078 CB TRP X 131 37.281 56.403 106.465 1.00 15.46 C ATOM 1079 CG TRP X 131 38.563 55.666 106.601 1.00 20.60 C ATOM 1080 CD1 TRP X 131 39.592 55.948 107.460 1.00 14.06 C ATOM 1081 CD2 TRP X 131 38.980 54.534 105.827 1.00 13.92 C ATOM 1082 NE1 TRP X 131 40.614 55.044 107.277 1.00 21.40 N ATOM 1083 CE2 TRP X 131 40.269 54.175 106.280 1.00 13.22 C ATOM 1084 CE3 TRP X 131 38.389 53.789 104.804 1.00 14.43 C ATOM 1085 CZ2 TRP X 131 40.966 53.096 105.745 1.00 14.91 C ATOM 1086 CZ3 TRP X 131 39.088 52.719 104.269 1.00 12.09 C ATOM 1087 CH2 TRP X 131 40.359 52.383 104.738 1.00 15.61 C ATOM 0 H TRP X 131 38.151 59.024 106.383 1.00 18.13 H new ATOM 0 HA TRP X 131 37.592 57.136 104.539 1.00 22.21 H new ATOM 0 HB2 TRP X 131 37.046 56.796 107.320 1.00 15.46 H new ATOM 0 HB3 TRP X 131 36.575 55.777 106.237 1.00 15.46 H new ATOM 0 HD1 TRP X 131 39.599 56.646 108.075 1.00 14.06 H new ATOM 0 HE1 TRP X 131 41.351 55.029 107.719 1.00 21.40 H new ATOM 0 HE3 TRP X 131 37.542 54.007 104.488 1.00 14.43 H new ATOM 0 HZ2 TRP X 131 41.811 52.866 106.057 1.00 14.91 H new ATOM 0 HZ3 TRP X 131 38.704 52.217 103.587 1.00 12.09 H new ATOM 0 HH2 TRP X 131 40.806 51.660 104.361 1.00 15.61 H new ATOM 1088 N GLU X 132 35.352 57.939 104.089 1.00 22.00 N ATOM 1089 CA GLU X 132 33.986 58.391 103.889 1.00 15.58 C ATOM 1090 C GLU X 132 33.016 57.332 104.404 1.00 16.08 C ATOM 1091 O GLU X 132 33.228 56.131 104.208 1.00 16.38 O ATOM 1092 CB GLU X 132 33.709 58.690 102.406 1.00 19.98 C ATOM 1093 CG GLU X 132 32.372 59.392 102.175 1.00 32.27 C ATOM 1094 CD GLU X 132 32.070 59.692 100.717 1.00 30.18 C ATOM 1095 OE1 GLU X 132 32.882 59.341 99.829 1.00 38.36 O ATOM 1096 OE2 GLU X 132 31.002 60.285 100.460 1.00 49.74 O ATOM 0 H GLU X 132 35.708 57.553 103.408 1.00 22.00 H new ATOM 0 HA GLU X 132 33.860 59.215 104.386 1.00 15.58 H new ATOM 0 HB2 GLU X 132 34.424 59.244 102.054 1.00 19.98 H new ATOM 0 HB3 GLU X 132 33.722 57.859 101.906 1.00 19.98 H new ATOM 0 HG2 GLU X 132 31.661 58.839 102.535 1.00 32.27 H new ATOM 0 HG3 GLU X 132 32.364 60.224 102.674 1.00 32.27 H new ATOM 1097 N VAL X 133 31.949 57.790 105.048 1.00 13.55 N ATOM 1098 CA VAL X 133 30.887 56.927 105.543 1.00 12.67 C ATOM 1099 C VAL X 133 29.916 56.617 104.410 1.00 17.70 C ATOM 1100 O VAL X 133 29.051 57.431 104.089 1.00 17.04 O ATOM 1101 CB VAL X 133 30.127 57.587 106.712 1.00 11.99 C ATOM 1102 CG1 VAL X 133 29.032 56.657 107.240 1.00 12.37 C ATOM 1103 CG2 VAL X 133 31.100 57.999 107.839 1.00 8.34 C ATOM 0 H VAL X 133 31.821 58.624 105.212 1.00 13.55 H new ATOM 0 HA VAL X 133 31.288 56.107 105.870 1.00 12.67 H new ATOM 0 HB VAL X 133 29.700 58.393 106.380 1.00 11.99 H new ATOM 0 HG11 VAL X 133 28.566 57.089 107.973 1.00 12.37 H new ATOM 0 HG12 VAL X 133 28.403 56.461 106.528 1.00 12.37 H new ATOM 0 HG13 VAL X 133 29.432 55.831 107.554 1.00 12.37 H new ATOM 0 HG21 VAL X 133 30.602 58.411 108.562 1.00 8.34 H new ATOM 0 HG22 VAL X 133 31.562 57.213 108.171 1.00 8.34 H new ATOM 0 HG23 VAL X 133 31.748 58.632 107.492 1.00 8.34 H new ATOM 1104 N ALA X 134 30.072 55.455 103.785 1.00 10.65 N ATOM 1105 CA ALA X 134 29.189 55.085 102.691 1.00 12.31 C ATOM 1106 C ALA X 134 27.831 54.710 103.242 1.00 11.90 C ATOM 1107 O ALA X 134 26.803 54.908 102.592 1.00 15.15 O ATOM 1108 CB ALA X 134 29.775 53.937 101.879 1.00 7.02 C ATOM 0 H ALA X 134 30.676 54.874 103.977 1.00 10.65 H new ATOM 0 HA ALA X 134 29.093 55.846 102.097 1.00 12.31 H new ATOM 0 HB1 ALA X 134 29.169 53.709 101.157 1.00 7.02 H new ATOM 0 HB2 ALA X 134 30.631 54.205 101.510 1.00 7.02 H new ATOM 0 HB3 ALA X 134 29.899 53.165 102.453 1.00 7.02 H new ATOM 1109 N SER X 135 27.838 54.147 104.444 1.00 11.30 N ATOM 1110 CA SER X 135 26.599 53.838 105.153 1.00 12.57 C ATOM 1111 C SER X 135 26.818 53.604 106.657 1.00 14.11 C ATOM 1112 O SER X 135 27.891 53.212 107.117 1.00 9.97 O ATOM 1113 CB SER X 135 25.892 52.621 104.524 1.00 12.61 C ATOM 1114 OG SER X 135 26.679 51.449 104.582 1.00 11.47 O ATOM 0 H SER X 135 28.554 53.934 104.870 1.00 11.30 H new ATOM 0 HA SER X 135 26.030 54.618 105.063 1.00 12.57 H new ATOM 0 HB2 SER X 135 25.052 52.466 104.983 1.00 12.61 H new ATOM 0 HB3 SER X 135 25.678 52.818 103.599 1.00 12.61 H new ATOM 0 HG SER X 135 26.537 51.052 105.308 1.00 11.47 H new ATOM 1115 N SER X 136 25.767 53.867 107.413 1.00 10.94 N ATOM 1116 CA SER X 136 25.779 53.686 108.843 1.00 14.53 C ATOM 1117 C SER X 136 24.375 53.261 109.244 1.00 16.49 C ATOM 1118 O SER X 136 23.426 54.028 109.094 1.00 18.75 O ATOM 1119 CB SER X 136 26.210 54.971 109.555 1.00 8.88 C ATOM 1120 OG SER X 136 26.107 54.821 110.959 1.00 14.20 O ATOM 0 H SER X 136 25.020 54.159 107.103 1.00 10.94 H new ATOM 0 HA SER X 136 26.422 53.008 109.103 1.00 14.53 H new ATOM 0 HB2 SER X 136 27.124 55.189 109.314 1.00 8.88 H new ATOM 0 HB3 SER X 136 25.655 55.711 109.262 1.00 8.88 H new ATOM 0 HG SER X 136 25.298 54.835 111.184 1.00 14.20 H new ATOM 1121 N VAL X 137 24.263 52.026 109.727 1.00 12.75 N ATOM 1122 CA VAL X 137 22.994 51.377 110.024 1.00 12.35 C ATOM 1123 C VAL X 137 22.996 50.866 111.467 1.00 19.55 C ATOM 1124 O VAL X 137 23.820 50.024 111.816 1.00 15.21 O ATOM 1125 CB VAL X 137 22.744 50.185 109.079 1.00 14.90 C ATOM 1126 CG1 VAL X 137 21.446 49.491 109.430 1.00 12.98 C ATOM 1127 CG2 VAL X 137 22.762 50.626 107.606 1.00 12.17 C ATOM 0 H VAL X 137 24.945 51.530 109.895 1.00 12.75 H new ATOM 0 HA VAL X 137 22.290 52.032 109.900 1.00 12.35 H new ATOM 0 HB VAL X 137 23.467 49.549 109.198 1.00 14.90 H new ATOM 0 HG11 VAL X 137 21.304 48.745 108.827 1.00 12.98 H new ATOM 0 HG12 VAL X 137 21.490 49.165 110.342 1.00 12.98 H new ATOM 0 HG13 VAL X 137 20.711 50.118 109.346 1.00 12.98 H new ATOM 0 HG21 VAL X 137 22.602 49.858 107.036 1.00 12.17 H new ATOM 0 HG22 VAL X 137 22.068 51.288 107.458 1.00 12.17 H new ATOM 0 HG23 VAL X 137 23.627 51.011 107.394 1.00 12.17 H new ATOM 1128 N GLU X 138 22.096 51.368 112.311 1.00 19.78 N ATOM 1129 CA GLU X 138 21.991 50.858 113.682 1.00 17.92 C ATOM 1130 C GLU X 138 21.444 49.442 113.708 1.00 15.08 C ATOM 1131 O GLU X 138 20.484 49.108 112.997 1.00 23.93 O ATOM 1132 CB GLU X 138 21.107 51.751 114.546 1.00 16.19 C ATOM 1133 CG GLU X 138 21.703 53.091 114.886 1.00 33.43 C ATOM 1134 CD GLU X 138 20.669 54.021 115.503 1.00 50.68 C ATOM 1135 OE1 GLU X 138 20.782 55.255 115.322 1.00 49.79 O ATOM 1136 OE2 GLU X 138 19.736 53.510 116.163 1.00 36.80 O ATOM 0 H GLU X 138 21.542 51.996 112.115 1.00 19.78 H new ATOM 0 HA GLU X 138 22.890 50.857 114.046 1.00 17.92 H new ATOM 0 HB2 GLU X 138 20.265 51.893 114.086 1.00 16.19 H new ATOM 0 HB3 GLU X 138 20.904 51.283 115.371 1.00 16.19 H new ATOM 0 HG2 GLU X 138 22.441 52.971 115.504 1.00 33.43 H new ATOM 0 HG3 GLU X 138 22.068 53.497 114.084 1.00 33.43 H new ATOM 1137 N GLY X 139 22.063 48.600 114.523 1.00 15.11 N ATOM 1138 CA GLY X 139 21.609 47.226 114.660 1.00 15.16 C ATOM 1139 C GLY X 139 20.407 47.185 115.587 1.00 20.16 C ATOM 1140 O GLY X 139 20.289 48.020 116.494 1.00 18.04 O ATOM 0 H GLY X 139 22.746 48.804 115.004 1.00 15.11 H new ATOM 0 HA2 GLY X 139 21.373 46.864 113.791 1.00 15.16 H new ATOM 0 HA3 GLY X 139 22.323 46.672 115.014 1.00 15.16 H new ATOM 1141 N LYS X 140 19.514 46.226 115.358 1.00 23.67 N ATOM 1142 CA LYS X 140 18.312 46.086 116.171 1.00 27.55 C ATOM 1143 C LYS X 140 18.617 45.293 117.413 1.00 21.65 C ATOM 1144 O LYS X 140 19.267 44.253 117.348 1.00 31.96 O ATOM 1145 CB LYS X 140 17.191 45.400 115.391 1.00 34.19 C ATOM 1146 CG LYS X 140 16.999 45.927 113.983 1.00 45.20 C ATOM 1147 CD LYS X 140 16.054 47.118 113.916 1.00 40.08 C ATOM 1148 CE LYS X 140 15.472 47.200 112.506 1.00 50.36 C ATOM 1149 NZ LYS X 140 14.740 48.455 112.207 1.00 32.68 N ATOM 0 H LYS X 140 19.588 45.642 114.731 1.00 23.67 H new ATOM 0 HA LYS X 140 18.015 46.976 116.417 1.00 27.55 H new ATOM 0 HB2 LYS X 140 17.377 44.449 115.347 1.00 34.19 H new ATOM 0 HB3 LYS X 140 16.360 45.504 115.880 1.00 34.19 H new ATOM 0 HG2 LYS X 140 17.861 46.184 113.619 1.00 45.20 H new ATOM 0 HG3 LYS X 140 16.654 45.215 113.421 1.00 45.20 H new ATOM 0 HD2 LYS X 140 15.343 47.021 114.569 1.00 40.08 H new ATOM 0 HD3 LYS X 140 16.528 47.936 114.133 1.00 40.08 H new ATOM 0 HE2 LYS X 140 16.194 47.101 111.866 1.00 50.36 H new ATOM 0 HE3 LYS X 140 14.871 46.450 112.374 1.00 50.36 H new ATOM 0 HZ1 LYS X 140 14.433 48.428 111.372 1.00 32.68 H new ATOM 0 HZ2 LYS X 140 14.057 48.542 112.771 1.00 32.68 H new ATOM 0 HZ3 LYS X 140 15.290 49.149 112.298 1.00 32.68 H new ATOM 1150 N LEU X 141 18.153 45.788 118.550 1.00 28.21 N ATOM 1151 CA LEU X 141 18.319 45.069 119.807 1.00 42.78 C ATOM 1152 C LEU X 141 17.157 44.120 120.028 1.00 38.34 C ATOM 1153 O LEU X 141 16.044 44.397 119.591 1.00 35.37 O ATOM 1154 CB LEU X 141 18.418 46.042 120.976 1.00 27.83 C ATOM 1155 CG LEU X 141 19.596 47.000 120.923 1.00 22.73 C ATOM 1156 CD1 LEU X 141 19.799 47.607 122.298 1.00 27.38 C ATOM 1157 CD2 LEU X 141 20.820 46.248 120.451 1.00 28.73 C ATOM 0 H LEU X 141 17.739 46.539 118.618 1.00 28.21 H new ATOM 0 HA LEU X 141 19.142 44.558 119.756 1.00 42.78 H new ATOM 0 HB2 LEU X 141 17.599 46.561 121.016 1.00 27.83 H new ATOM 0 HB3 LEU X 141 18.471 45.532 121.799 1.00 27.83 H new ATOM 0 HG LEU X 141 19.429 47.723 120.298 1.00 22.73 H new ATOM 0 HD11 LEU X 141 20.550 48.221 122.273 1.00 27.38 H new ATOM 0 HD12 LEU X 141 18.998 48.087 122.561 1.00 27.38 H new ATOM 0 HD13 LEU X 141 19.979 46.902 122.940 1.00 27.38 H new ATOM 0 HD21 LEU X 141 21.577 46.853 120.414 1.00 28.73 H new ATOM 0 HD22 LEU X 141 21.014 45.525 121.068 1.00 28.73 H new ATOM 0 HD23 LEU X 141 20.655 45.883 119.568 1.00 28.73 H new ATOM 1158 N ASP X 142 17.406 43.010 120.708 1.00 42.58 N ATOM 1159 CA ASP X 142 16.322 42.107 121.050 1.00 36.79 C ATOM 1160 C ASP X 142 16.724 41.152 122.152 1.00 42.90 C ATOM 1161 O ASP X 142 17.668 41.402 122.913 1.00 42.71 O ATOM 1162 CB ASP X 142 15.851 41.320 119.820 1.00 37.77 C ATOM 1163 CG ASP X 142 16.957 40.480 119.180 1.00 42.09 C ATOM 1164 OD1 ASP X 142 17.826 39.946 119.899 1.00 39.81 O ATOM 1165 OD2 ASP X 142 16.942 40.332 117.938 1.00 44.71 O ATOM 0 H ASP X 142 18.185 42.764 120.977 1.00 42.58 H new ATOM 0 HA ASP X 142 15.587 42.651 121.372 1.00 36.79 H new ATOM 0 HB2 ASP X 142 15.119 40.738 120.077 1.00 37.77 H new ATOM 0 HB3 ASP X 142 15.502 41.940 119.161 1.00 37.77 H new ATOM 1166 N GLU X 143 15.968 40.062 122.217 1.00 55.55 N ATOM 1167 CA GLU X 143 16.221 38.941 123.107 1.00 51.55 C ATOM 1168 C GLU X 143 17.713 38.600 123.158 1.00 39.32 C ATOM 1169 O GLU X 143 18.360 38.687 124.213 1.00 38.76 O ATOM 1170 CB GLU X 143 15.402 37.709 122.644 1.00 58.30 C ATOM 1171 CG GLU X 143 15.348 37.495 121.093 1.00 62.79 C ATOM 1172 CD GLU X 143 14.118 38.079 120.397 1.00 74.95 C ATOM 1173 OE1 GLU X 143 13.272 38.709 121.070 1.00 79.22 O ATOM 1174 OE2 GLU X 143 14.014 37.910 119.159 1.00 73.21 O ATOM 0 H GLU X 143 15.270 39.953 121.726 1.00 55.55 H new ATOM 0 HA GLU X 143 15.944 39.192 124.002 1.00 51.55 H new ATOM 0 HB2 GLU X 143 15.779 36.915 123.054 1.00 58.30 H new ATOM 0 HB3 GLU X 143 14.495 37.797 122.977 1.00 58.30 H new ATOM 0 HG2 GLU X 143 16.142 37.889 120.699 1.00 62.79 H new ATOM 0 HG3 GLU X 143 15.383 36.543 120.911 1.00 62.79 H new ATOM 1175 N LYS X 144 18.266 38.281 121.989 1.00 40.95 N ATOM 1176 CA LYS X 144 19.593 37.671 121.880 1.00 42.37 C ATOM 1177 C LYS X 144 20.699 38.632 121.436 1.00 40.21 C ATOM 1178 O LYS X 144 21.854 38.227 121.316 1.00 31.79 O ATOM 1179 CB LYS X 144 19.520 36.487 120.911 1.00 47.36 C ATOM 1180 CG LYS X 144 18.366 35.536 121.218 1.00 49.74 C ATOM 1181 CD LYS X 144 18.238 34.430 120.190 1.00 69.82 C ATOM 1182 CE LYS X 144 17.147 33.439 120.568 1.00 71.51 C ATOM 1183 NZ LYS X 144 17.480 32.675 121.809 1.00 59.68 N ATOM 0 H LYS X 144 17.880 38.413 121.232 1.00 40.95 H new ATOM 0 HA LYS X 144 19.837 37.385 122.774 1.00 42.37 H new ATOM 0 HB2 LYS X 144 19.425 36.822 120.006 1.00 47.36 H new ATOM 0 HB3 LYS X 144 20.356 35.995 120.945 1.00 47.36 H new ATOM 0 HG2 LYS X 144 18.498 35.144 122.096 1.00 49.74 H new ATOM 0 HG3 LYS X 144 17.537 36.039 121.253 1.00 49.74 H new ATOM 0 HD2 LYS X 144 18.040 34.815 119.322 1.00 69.82 H new ATOM 0 HD3 LYS X 144 19.085 33.964 120.107 1.00 69.82 H new ATOM 0 HE2 LYS X 144 16.312 33.915 120.698 1.00 71.51 H new ATOM 0 HE3 LYS X 144 17.009 32.818 119.836 1.00 71.51 H new ATOM 0 HZ1 LYS X 144 16.896 32.012 121.916 1.00 59.68 H new ATOM 0 HZ2 LYS X 144 18.301 32.338 121.739 1.00 59.68 H new ATOM 0 HZ3 LYS X 144 17.442 33.219 122.512 1.00 59.68 H new ATOM 1184 N ASN X 145 20.341 39.895 121.203 1.00 36.59 N ATOM 1185 CA ASN X 145 21.299 40.929 120.808 1.00 31.00 C ATOM 1186 C ASN X 145 21.089 42.157 121.654 1.00 28.24 C ATOM 1187 O ASN X 145 20.265 43.015 121.326 1.00 28.80 O ATOM 1188 CB ASN X 145 21.154 41.286 119.328 1.00 25.33 C ATOM 1189 CG ASN X 145 21.311 40.090 118.431 1.00 24.38 C ATOM 1190 OD1 ASN X 145 22.405 39.805 117.932 1.00 27.69 O ATOM 1191 ND2 ASN X 145 20.223 39.361 118.235 1.00 31.49 N ATOM 0 H ASN X 145 19.531 40.177 121.270 1.00 36.59 H new ATOM 0 HA ASN X 145 22.195 40.584 120.945 1.00 31.00 H new ATOM 0 HB2 ASN X 145 20.283 41.687 119.179 1.00 25.33 H new ATOM 0 HB3 ASN X 145 21.818 41.953 119.092 1.00 25.33 H new ATOM 0 HD21 ASN X 145 20.260 38.657 117.743 1.00 31.49 H new ATOM 0 HD22 ASN X 145 19.479 39.592 118.600 1.00 31.49 H new ATOM 1192 N THR X 146 21.838 42.243 122.744 1.00 18.15 N ATOM 1193 CA THR X 146 21.459 43.133 123.824 1.00 22.93 C ATOM 1194 C THR X 146 22.454 44.268 123.974 1.00 20.45 C ATOM 1195 O THR X 146 22.340 45.079 124.879 1.00 18.17 O ATOM 1196 CB THR X 146 21.334 42.361 125.162 1.00 29.53 C ATOM 1197 OG1 THR X 146 22.600 41.793 125.513 1.00 30.39 O ATOM 1198 CG2 THR X 146 20.301 41.238 125.034 1.00 32.11 C ATOM 0 H THR X 146 22.562 41.798 122.876 1.00 18.15 H new ATOM 0 HA THR X 146 20.594 43.509 123.599 1.00 22.93 H new ATOM 0 HB THR X 146 21.049 42.982 125.851 1.00 29.53 H new ATOM 0 HG1 THR X 146 22.673 41.033 125.163 1.00 30.39 H new ATOM 0 HG21 THR X 146 20.233 40.763 125.877 1.00 32.11 H new ATOM 0 HG22 THR X 146 19.438 41.617 124.806 1.00 32.11 H new ATOM 0 HG23 THR X 146 20.577 40.622 124.338 1.00 32.11 H new ATOM 1199 N ILE X 147 23.426 44.313 123.069 1.00 28.08 N ATOM 1200 CA ILE X 147 24.450 45.346 123.078 1.00 18.10 C ATOM 1201 C ILE X 147 24.241 46.244 121.870 1.00 12.26 C ATOM 1202 O ILE X 147 24.132 45.746 120.753 1.00 13.78 O ATOM 1203 CB ILE X 147 25.860 44.734 123.030 1.00 17.91 C ATOM 1204 CG1 ILE X 147 25.942 43.561 124.010 1.00 36.22 C ATOM 1205 CG2 ILE X 147 26.898 45.813 123.322 1.00 15.72 C ATOM 1206 CD1 ILE X 147 27.005 42.501 123.684 1.00 34.13 C ATOM 0 H ILE X 147 23.509 43.742 122.431 1.00 28.08 H new ATOM 0 HA ILE X 147 24.376 45.856 123.899 1.00 18.10 H new ATOM 0 HB ILE X 147 26.048 44.386 122.144 1.00 17.91 H new ATOM 0 HG12 ILE X 147 26.119 43.912 124.897 1.00 36.22 H new ATOM 0 HG13 ILE X 147 25.075 43.127 124.045 1.00 36.22 H new ATOM 0 HG21 ILE X 147 27.786 45.425 123.291 1.00 15.72 H new ATOM 0 HG22 ILE X 147 26.830 46.516 122.657 1.00 15.72 H new ATOM 0 HG23 ILE X 147 26.739 46.185 124.203 1.00 15.72 H new ATOM 0 HD11 ILE X 147 26.982 41.802 124.356 1.00 34.13 H new ATOM 0 HD12 ILE X 147 26.823 42.117 122.812 1.00 34.13 H new ATOM 0 HD13 ILE X 147 27.883 42.914 123.678 1.00 34.13 H new ATOM 1207 N PRO X 148 24.171 47.567 122.082 1.00 11.19 N ATOM 1208 CA PRO X 148 24.010 48.448 120.925 1.00 10.28 C ATOM 1209 C PRO X 148 25.178 48.296 119.975 1.00 13.41 C ATOM 1210 O PRO X 148 26.325 48.127 120.409 1.00 17.17 O ATOM 1211 CB PRO X 148 23.974 49.854 121.540 1.00 18.57 C ATOM 1212 CG PRO X 148 23.665 49.638 122.997 1.00 12.19 C ATOM 1213 CD PRO X 148 24.238 48.312 123.350 1.00 13.59 C ATOM 0 HA PRO X 148 23.216 48.251 120.404 1.00 10.28 H new ATOM 0 HB2 PRO X 148 24.823 50.309 121.425 1.00 18.57 H new ATOM 0 HB3 PRO X 148 23.298 50.405 121.116 1.00 18.57 H new ATOM 0 HG2 PRO X 148 24.055 50.340 123.542 1.00 12.19 H new ATOM 0 HG3 PRO X 148 22.708 49.655 123.154 1.00 12.19 H new ATOM 0 HD2 PRO X 148 25.150 48.390 123.672 1.00 13.59 H new ATOM 0 HD3 PRO X 148 23.727 47.876 124.049 1.00 13.59 H new ATOM 1214 N HIS X 149 24.889 48.335 118.682 1.00 9.72 N ATOM 1215 CA HIS X 149 25.925 48.171 117.679 1.00 11.54 C ATOM 1216 C HIS X 149 25.502 48.853 116.400 1.00 13.19 C ATOM 1217 O HIS X 149 24.312 49.008 116.124 1.00 19.14 O ATOM 1218 CB HIS X 149 26.224 46.685 117.440 1.00 8.21 C ATOM 1219 CG HIS X 149 25.008 45.858 117.165 1.00 15.19 C ATOM 1220 ND1 HIS X 149 24.082 45.549 118.141 1.00 12.75 N ATOM 1221 CD2 HIS X 149 24.571 45.261 116.027 1.00 13.12 C ATOM 1222 CE1 HIS X 149 23.118 44.814 117.611 1.00 16.08 C ATOM 1223 NE2 HIS X 149 23.391 44.624 116.332 1.00 14.74 N ATOM 0 H HIS X 149 24.098 48.456 118.366 1.00 9.72 H new ATOM 0 HA HIS X 149 26.743 48.584 117.998 1.00 11.54 H new ATOM 0 HB2 HIS X 149 26.836 46.604 116.691 1.00 8.21 H new ATOM 0 HB3 HIS X 149 26.679 46.327 118.218 1.00 8.21 H new ATOM 0 HD1 HIS X 149 24.125 45.795 118.964 1.00 12.75 H new ATOM 0 HD2 HIS X 149 24.991 45.279 115.197 1.00 13.12 H new ATOM 0 HE1 HIS X 149 22.374 44.486 118.062 1.00 16.08 H new ATOM 1224 N THR X 150 26.492 49.264 115.626 1.00 15.08 N ATOM 1225 CA THR X 150 26.265 50.004 114.406 1.00 14.53 C ATOM 1226 C THR X 150 27.139 49.466 113.274 1.00 13.07 C ATOM 1227 O THR X 150 28.357 49.393 113.398 1.00 11.86 O ATOM 1228 CB THR X 150 26.552 51.493 114.610 1.00 17.07 C ATOM 1229 OG1 THR X 150 25.736 51.984 115.680 1.00 24.84 O ATOM 1230 CG2 THR X 150 26.268 52.288 113.321 1.00 13.85 C ATOM 0 H THR X 150 27.322 49.118 115.798 1.00 15.08 H new ATOM 0 HA THR X 150 25.332 49.893 114.165 1.00 14.53 H new ATOM 0 HB THR X 150 27.489 51.607 114.832 1.00 17.07 H new ATOM 0 HG1 THR X 150 26.218 52.149 116.348 1.00 24.84 H new ATOM 0 HG21 THR X 150 26.456 53.228 113.472 1.00 13.85 H new ATOM 0 HG22 THR X 150 26.833 51.957 112.605 1.00 13.85 H new ATOM 0 HG23 THR X 150 25.336 52.181 113.073 1.00 13.85 H new ATOM 1231 N PHE X 151 26.504 49.101 112.166 1.00 12.38 N ATOM 1232 CA PHE X 151 27.226 48.645 110.987 1.00 11.28 C ATOM 1233 C PHE X 151 27.675 49.826 110.128 1.00 13.72 C ATOM 1234 O PHE X 151 26.850 50.571 109.602 1.00 12.08 O ATOM 1235 CB PHE X 151 26.355 47.692 110.169 1.00 10.38 C ATOM 1236 CG PHE X 151 25.825 46.527 110.958 1.00 12.84 C ATOM 1237 CD1 PHE X 151 26.656 45.465 111.296 1.00 13.92 C ATOM 1238 CD2 PHE X 151 24.493 46.481 111.345 1.00 10.39 C ATOM 1239 CE1 PHE X 151 26.169 44.377 112.016 1.00 10.67 C ATOM 1240 CE2 PHE X 151 23.996 45.396 112.066 1.00 12.32 C ATOM 1241 CZ PHE X 151 24.838 44.341 112.397 1.00 10.22 C ATOM 0 H PHE X 151 25.649 49.111 112.077 1.00 12.38 H new ATOM 0 HA PHE X 151 28.019 48.170 111.282 1.00 11.28 H new ATOM 0 HB2 PHE X 151 25.608 48.187 109.798 1.00 10.38 H new ATOM 0 HB3 PHE X 151 26.872 47.356 109.420 1.00 10.38 H new ATOM 0 HD1 PHE X 151 27.549 45.481 111.038 1.00 13.92 H new ATOM 0 HD2 PHE X 151 23.925 47.182 111.121 1.00 10.39 H new ATOM 0 HE1 PHE X 151 26.737 43.676 112.241 1.00 10.67 H new ATOM 0 HE2 PHE X 151 23.103 45.378 112.325 1.00 12.32 H new ATOM 0 HZ PHE X 151 24.509 43.613 112.873 1.00 10.22 H new ATOM 1242 N LEU X 152 28.989 49.996 110.014 1.00 8.99 N ATOM 1243 CA LEU X 152 29.589 51.049 109.198 1.00 10.08 C ATOM 1244 C LEU X 152 30.177 50.439 107.945 1.00 12.26 C ATOM 1245 O LEU X 152 30.823 49.405 108.031 1.00 15.38 O ATOM 1246 CB LEU X 152 30.713 51.772 109.949 1.00 6.95 C ATOM 1247 CG LEU X 152 30.448 52.488 111.267 1.00 17.00 C ATOM 1248 CD1 LEU X 152 31.734 53.154 111.721 1.00 13.58 C ATOM 1249 CD2 LEU X 152 29.306 53.508 111.139 1.00 9.63 C ATOM 0 H LEU X 152 29.565 49.497 110.413 1.00 8.99 H new ATOM 0 HA LEU X 152 28.892 51.688 108.982 1.00 10.08 H new ATOM 0 HB2 LEU X 152 31.408 51.117 110.117 1.00 6.95 H new ATOM 0 HB3 LEU X 152 31.084 52.429 109.339 1.00 6.95 H new ATOM 0 HG LEU X 152 30.164 51.841 111.931 1.00 17.00 H new ATOM 0 HD11 LEU X 152 31.581 53.615 112.561 1.00 13.58 H new ATOM 0 HD12 LEU X 152 32.422 52.481 111.843 1.00 13.58 H new ATOM 0 HD13 LEU X 152 32.022 53.792 111.050 1.00 13.58 H new ATOM 0 HD21 LEU X 152 29.164 53.944 111.994 1.00 9.63 H new ATOM 0 HD22 LEU X 152 29.539 54.173 110.472 1.00 9.63 H new ATOM 0 HD23 LEU X 152 28.493 53.052 110.870 1.00 9.63 H new ATOM 1250 N HIS X 153 29.950 51.058 106.792 1.00 11.26 N ATOM 1251 CA HIS X 153 30.750 50.770 105.601 1.00 9.10 C ATOM 1252 C HIS X 153 31.543 52.019 105.290 1.00 10.26 C ATOM 1253 O HIS X 153 30.965 53.052 104.926 1.00 11.68 O ATOM 1254 CB HIS X 153 29.887 50.377 104.403 1.00 8.84 C ATOM 1255 CG HIS X 153 30.681 50.010 103.187 1.00 15.90 C ATOM 1256 ND1 HIS X 153 30.159 50.067 101.908 1.00 10.50 N ATOM 1257 CD2 HIS X 153 31.957 49.569 103.056 1.00 8.02 C ATOM 1258 CE1 HIS X 153 31.081 49.679 101.043 1.00 9.29 C ATOM 1259 NE2 HIS X 153 32.182 49.378 101.711 1.00 17.28 N ATOM 0 H HIS X 153 29.337 51.650 106.676 1.00 11.26 H new ATOM 0 HA HIS X 153 31.331 50.013 105.775 1.00 9.10 H new ATOM 0 HB2 HIS X 153 29.325 49.627 104.651 1.00 8.84 H new ATOM 0 HB3 HIS X 153 29.296 51.114 104.184 1.00 8.84 H new ATOM 0 HD2 HIS X 153 32.565 49.423 103.744 1.00 8.02 H new ATOM 0 HE1 HIS X 153 30.973 49.627 100.121 1.00 9.29 H new ATOM 0 HE2 HIS X 153 32.920 49.107 101.362 1.00 17.28 H new ATOM 1260 N LEU X 154 32.855 51.933 105.472 1.00 8.17 N ATOM 1261 CA LEU X 154 33.753 53.074 105.268 1.00 10.92 C ATOM 1262 C LEU X 154 34.591 52.857 104.015 1.00 12.95 C ATOM 1263 O LEU X 154 35.091 51.755 103.779 1.00 12.17 O ATOM 1264 CB LEU X 154 34.675 53.270 106.480 1.00 11.29 C ATOM 1265 CG LEU X 154 33.992 53.390 107.851 1.00 17.11 C ATOM 1266 CD1 LEU X 154 35.049 53.614 108.937 1.00 20.97 C ATOM 1267 CD2 LEU X 154 32.982 54.525 107.864 1.00 12.38 C ATOM 0 H LEU X 154 33.255 51.212 105.718 1.00 8.17 H new ATOM 0 HA LEU X 154 33.211 53.872 105.162 1.00 10.92 H new ATOM 0 HB2 LEU X 154 35.294 52.524 106.514 1.00 11.29 H new ATOM 0 HB3 LEU X 154 35.203 54.070 106.333 1.00 11.29 H new ATOM 0 HG LEU X 154 33.516 52.564 108.028 1.00 17.11 H new ATOM 0 HD11 LEU X 154 34.615 53.689 109.801 1.00 20.97 H new ATOM 0 HD12 LEU X 154 35.665 52.864 108.949 1.00 20.97 H new ATOM 0 HD13 LEU X 154 35.538 54.430 108.749 1.00 20.97 H new ATOM 0 HD21 LEU X 154 32.566 54.579 108.739 1.00 12.38 H new ATOM 0 HD22 LEU X 154 33.432 55.362 107.669 1.00 12.38 H new ATOM 0 HD23 LEU X 154 32.301 54.360 107.193 1.00 12.38 H new ATOM 1268 N ILE X 155 34.749 53.912 103.222 1.00 14.08 N ATOM 1269 CA ILE X 155 35.473 53.827 101.967 1.00 14.31 C ATOM 1270 C ILE X 155 36.607 54.837 102.004 1.00 18.08 C ATOM 1271 O ILE X 155 36.429 55.958 102.462 1.00 16.99 O ATOM 1272 CB ILE X 155 34.545 54.083 100.750 1.00 20.13 C ATOM 1273 CG1 ILE X 155 33.489 52.975 100.631 1.00 14.85 C ATOM 1274 CG2 ILE X 155 35.351 54.119 99.461 1.00 36.12 C ATOM 1275 CD1 ILE X 155 32.455 53.221 99.544 1.00 23.20 C ATOM 0 H ILE X 155 34.439 54.694 103.399 1.00 14.08 H new ATOM 0 HA ILE X 155 35.827 52.930 101.861 1.00 14.31 H new ATOM 0 HB ILE X 155 34.109 54.938 100.890 1.00 20.13 H new ATOM 0 HG12 ILE X 155 33.936 52.132 100.455 1.00 14.85 H new ATOM 0 HG13 ILE X 155 33.034 52.882 101.482 1.00 14.85 H new ATOM 0 HG21 ILE X 155 34.756 54.280 98.712 1.00 36.12 H new ATOM 0 HG22 ILE X 155 36.008 54.831 99.510 1.00 36.12 H new ATOM 0 HG23 ILE X 155 35.803 53.270 99.338 1.00 36.12 H new ATOM 0 HD11 ILE X 155 31.823 52.485 99.526 1.00 23.20 H new ATOM 0 HD12 ILE X 155 31.983 54.048 99.728 1.00 23.20 H new ATOM 0 HD13 ILE X 155 32.899 53.287 98.684 1.00 23.20 H new ATOM 1276 N ARG X 156 37.786 54.430 101.550 1.00 20.30 N ATOM 1277 CA ARG X 156 38.946 55.304 101.636 1.00 27.23 C ATOM 1278 C ARG X 156 38.781 56.512 100.719 1.00 21.51 C ATOM 1279 O ARG X 156 38.417 56.355 99.559 1.00 26.18 O ATOM 1280 CB ARG X 156 40.218 54.539 101.272 1.00 21.03 C ATOM 1281 CG ARG X 156 41.484 55.364 101.409 1.00 28.42 C ATOM 1282 CD ARG X 156 42.683 54.607 100.854 1.00 23.06 C ATOM 1283 NE ARG X 156 42.805 53.277 101.445 1.00 31.59 N ATOM 1284 CZ ARG X 156 43.405 53.015 102.606 1.00 27.61 C ATOM 1285 NH1 ARG X 156 43.946 53.994 103.327 1.00 14.52 N ATOM 1286 NH2 ARG X 156 43.457 51.763 103.045 1.00 22.81 N ATOM 0 H ARG X 156 37.934 53.662 101.193 1.00 20.30 H new ATOM 0 HA ARG X 156 39.020 55.619 102.550 1.00 27.23 H new ATOM 0 HB2 ARG X 156 40.289 53.756 101.840 1.00 21.03 H new ATOM 0 HB3 ARG X 156 40.145 54.222 100.358 1.00 21.03 H new ATOM 0 HG2 ARG X 156 41.380 56.205 100.937 1.00 28.42 H new ATOM 0 HG3 ARG X 156 41.636 55.579 102.343 1.00 28.42 H new ATOM 0 HD2 ARG X 156 42.597 54.527 99.891 1.00 23.06 H new ATOM 0 HD3 ARG X 156 43.493 55.113 101.026 1.00 23.06 H new ATOM 0 HE ARG X 156 42.465 52.615 101.013 1.00 31.59 H new ATOM 0 HH11 ARG X 156 43.911 54.806 103.045 1.00 14.52 H new ATOM 0 HH12 ARG X 156 44.331 53.815 104.075 1.00 14.52 H new ATOM 0 HH21 ARG X 156 43.105 51.130 102.581 1.00 22.81 H new ATOM 0 HH22 ARG X 156 43.842 51.585 103.793 1.00 22.81 H new ATOM 1287 N LYS X 157 39.053 57.710 101.234 1.00 23.40 N ATOM 1288 CA LYS X 157 38.943 58.928 100.425 1.00 33.85 C ATOM 1289 C LYS X 157 40.064 59.059 99.375 1.00 52.16 C ATOM 1290 O LYS X 157 39.814 59.457 98.226 1.00 44.82 O ATOM 1291 CB LYS X 157 38.928 60.163 101.331 1.00 29.05 C ATOM 1292 CG LYS X 157 37.663 60.296 102.174 1.00 31.94 C ATOM 1293 CD LYS X 157 37.642 61.590 102.993 1.00 23.51 C ATOM 1294 CE LYS X 157 36.336 61.711 103.733 1.00 20.97 C ATOM 1295 NZ LYS X 157 36.282 62.899 104.633 1.00 43.47 N ATOM 0 H LYS X 157 39.302 57.841 102.047 1.00 23.40 H new ATOM 0 HA LYS X 157 38.107 58.864 99.937 1.00 33.85 H new ATOM 0 HB2 LYS X 157 39.697 60.130 101.921 1.00 29.05 H new ATOM 0 HB3 LYS X 157 39.025 60.957 100.782 1.00 29.05 H new ATOM 0 HG2 LYS X 157 36.886 60.271 101.594 1.00 31.94 H new ATOM 0 HG3 LYS X 157 37.595 59.536 102.773 1.00 31.94 H new ATOM 0 HD2 LYS X 157 38.380 61.595 103.622 1.00 23.51 H new ATOM 0 HD3 LYS X 157 37.763 62.354 102.408 1.00 23.51 H new ATOM 0 HE2 LYS X 157 35.611 61.765 103.091 1.00 20.97 H new ATOM 0 HE3 LYS X 157 36.192 60.908 104.257 1.00 20.97 H new ATOM 0 HZ1 LYS X 157 35.493 62.924 105.045 1.00 43.47 H new ATOM 0 HZ2 LYS X 157 36.931 62.842 105.239 1.00 43.47 H new ATOM 0 HZ3 LYS X 157 36.389 63.641 104.153 1.00 43.47 H new TER 1296 LYS X 157 HETATM 1297 C1 GOL X 201 38.320 56.403 115.379 1.00 33.31 C HETATM 1298 O1 GOL X 201 36.958 56.032 115.328 1.00 47.76 O HETATM 1299 C2 GOL X 201 39.101 55.261 116.028 1.00 31.25 C HETATM 1300 O2 GOL X 201 40.423 55.662 116.385 1.00 24.39 O HETATM 1301 C3 GOL X 201 38.287 54.769 117.232 1.00 40.00 C HETATM 1302 O3 GOL X 201 38.961 55.000 118.457 1.00 39.98 O HETATM 0 HO3 GOL X 201 39.098 55.823 118.551 1.00 39.98 H new HETATM 0 HO2 GOL X 201 40.623 55.336 117.133 1.00 24.39 H new HETATM 0 HO1 GOL X 201 36.512 56.650 114.974 1.00 47.76 H new HETATM 0 H32 GOL X 201 37.428 55.219 117.246 1.00 40.00 H new HETATM 0 H31 GOL X 201 38.109 53.820 117.135 1.00 40.00 H new HETATM 0 H2 GOL X 201 39.220 54.532 115.399 1.00 31.25 H new HETATM 0 H12 GOL X 201 38.657 56.579 114.486 1.00 33.31 H new HETATM 0 H11 GOL X 201 38.429 57.221 115.889 1.00 33.31 H new HETATM 1303 C4 U06 X 202 35.001 40.053 112.091 0.76 16.86 C HETATM 1304 C5 U06 X 202 34.605 39.183 113.098 0.76 21.63 C HETATM 1305 C6 U06 X 202 33.352 39.362 113.646 0.76 19.16 C HETATM 1306 N1 U06 X 202 32.549 40.332 113.208 0.76 19.45 N HETATM 1307 N3 U06 X 202 34.154 41.012 111.689 0.76 22.73 N HETATM 1308 CAA U06 X 202 32.334 37.293 113.926 0.76 29.87 C HETATM 1309 CAB U06 X 202 32.930 38.504 114.638 0.76 20.19 C HETATM 1310 C2 U06 X 202 32.939 41.160 112.245 0.76 16.03 C HETATM 1311 NAF U06 X 202 32.112 42.121 111.847 0.76 10.12 N HETATM 1312 NAI U06 X 202 36.226 39.901 111.559 0.76 13.62 N HETATM 1313 CAK U06 X 202 35.435 38.078 113.633 0.76 24.29 C HETATM 1314 CAL U06 X 202 36.104 37.097 114.150 0.76 24.80 C HETATM 1315 CAM U06 X 202 36.847 35.990 114.745 0.76 18.36 C HETATM 1316 CAN U06 X 202 35.956 35.022 115.157 0.76 21.24 C HETATM 1317 CAU U06 X 202 34.863 34.688 114.361 0.76 27.71 C HETATM 1318 CAO U06 X 202 36.161 34.367 116.360 0.76 19.40 C HETATM 1319 OAP U06 X 202 37.253 34.750 117.076 0.76 29.47 O HETATM 1320 CAQ U06 X 202 37.255 34.078 118.344 0.76 24.09 C HETATM 1321 CAR U06 X 202 35.284 33.382 116.795 0.76 22.55 C HETATM 1322 CAS U06 X 202 34.189 33.050 116.008 0.76 28.58 C HETATM 1323 CAT U06 X 202 33.984 33.696 114.795 0.76 35.64 C HETATM 1324 CAV U06 X 202 32.885 33.328 114.033 0.76 38.29 C HETATM 1325 CAW U06 X 202 32.108 32.267 114.474 0.76 45.61 C HETATM 1326 CAX U06 X 202 31.002 31.867 113.736 0.76 56.73 C HETATM 1327 CAY U06 X 202 30.676 32.527 112.558 0.76 52.24 C HETATM 1328 CBB U06 X 202 29.561 32.107 111.846 0.76 60.74 C HETATM 1329 OBD U06 X 202 29.265 32.655 110.761 0.76 52.81 O HETATM 1330 OBC U06 X 202 28.846 31.188 112.306 0.76 72.79 O HETATM 1331 CAZ U06 X 202 31.454 33.594 112.109 0.76 48.64 C HETATM 1332 CBA U06 X 202 32.568 33.991 112.847 0.76 45.19 C HETATM 1333 O3'BXNP X 203 44.716 36.623 121.001 0.41 18.75 O HETATM 1334 C3'BXNP X 203 44.779 36.549 119.567 0.41 19.24 C HETATM 1335 C2'BXNP X 203 43.458 36.127 118.943 0.41 19.12 C HETATM 1336 O2'BXNP X 203 42.278 36.123 119.790 0.41 17.00 O HETATM 1337 CAABXNP X 203 41.349 36.963 119.027 0.41 20.00 C HETATM 1338 CABBXNP X 203 39.907 36.545 119.065 0.41 22.31 C HETATM 1339 CACBXNP X 203 39.164 37.638 118.319 0.41 17.21 C HETATM 1340 CADBXNP X 203 39.837 38.002 117.139 0.41 16.78 C HETATM 1341 CBTBXNP X 203 39.199 38.790 116.199 0.41 16.12 C HETATM 1342 OBVBXNP X 203 39.794 39.120 115.176 0.41 19.14 O HETATM 1343 NBUBXNP X 203 37.954 39.155 116.493 0.41 12.85 N HETATM 1344 CAEBXNP X 203 41.166 37.676 116.873 0.41 16.71 C HETATM 1345 NAFBXNP X 203 41.868 36.879 117.661 0.41 21.27 N HETATM 1346 C1'BXNP X 203 43.145 37.384 118.168 0.41 18.88 C HETATM 1347 O4'BXNP X 203 44.409 37.670 117.571 0.41 15.44 O HETATM 1348 C4'BXNP X 203 44.949 37.937 118.910 0.41 15.10 C HETATM 1349 C5'BXNP X 203 46.371 38.494 119.118 0.41 17.12 C HETATM 1350 O5'BXNP X 203 47.308 37.934 118.203 0.41 15.45 O HETATM 1351 PANBXNP X 203 47.369 38.444 116.672 0.41 11.52 P HETATM 1352 OBPBXNP X 203 48.936 38.646 116.350 0.41 13.29 O HETATM 1353 OBOBXNP X 203 46.588 39.685 116.475 0.41 16.64 O HETATM 1354 OAOBXNP X 203 46.886 37.214 115.760 0.41 17.89 O HETATM 1355 PAPBXNP X 203 46.392 37.470 114.209 0.41 15.89 P HETATM 1356 OBQBXNP X 203 45.375 36.281 113.702 0.41 15.13 O HETATM 1357 OBRBXNP X 203 47.286 38.198 113.251 0.41 15.78 O HETATM 1358 OAQBXNP X 203 47.435 36.233 113.913 0.41 14.69 O HETATM 1359 CARBXNP X 203 48.844 36.320 114.198 0.41 14.28 C HETATM 1360 CASBXNP X 203 49.648 35.311 113.362 0.41 16.40 C HETATM 1361 OAWBXNP X 203 49.422 35.467 111.934 0.41 18.76 O HETATM 1362 CATBXNP X 203 51.151 35.564 113.471 0.41 18.04 C HETATM 1363 OAZBXNP X 203 51.673 35.161 114.744 0.41 16.02 O HETATM 1364 CAUBXNP X 203 51.587 34.631 112.379 0.41 15.71 C HETATM 1365 OAYBXNP X 203 51.203 33.287 112.667 0.41 17.07 O HETATM 1366 PBABXNP X 203 52.419 32.239 112.934 0.41 17.10 P HETATM 1367 OBBBXNP X 203 51.722 30.783 113.038 0.41 14.73 O HETATM 1368 OBCBXNP X 203 52.922 32.598 114.428 0.41 12.79 O HETATM 1369 OBDBXNP X 203 53.473 32.330 111.896 0.41 16.01 O HETATM 1370 CAVBXNP X 203 50.604 35.175 111.153 0.41 18.53 C HETATM 1371 NAXBXNP X 203 51.055 36.236 110.429 0.41 19.49 N HETATM 1372 CBEBXNP X 203 50.472 37.529 110.504 0.41 16.70 C HETATM 1373 NBFBXNP X 203 51.368 38.318 109.585 0.41 18.53 N HETATM 1374 CBGBXNP X 203 52.213 37.449 109.016 0.41 21.81 C HETATM 1375 CBHBXNP X 203 51.786 36.196 109.453 0.41 19.98 C HETATM 1376 NBLBXNP X 203 52.664 35.051 109.113 0.41 19.75 N HETATM 1377 CBKBXNP X 203 53.646 35.229 108.140 0.41 20.07 C HETATM 1378 NBJBXNP X 203 53.901 36.525 107.671 0.41 20.75 N HETATM 1379 CBIBXNP X 203 53.192 37.575 108.122 0.41 24.03 C HETATM 1380 NBMBXNP X 203 53.433 38.810 107.692 0.41 22.18 N HETATM 1381 PA ANAP X 204 46.356 37.041 114.387 0.60 17.22 P HETATM 1382 O1AANAP X 204 46.456 38.285 113.589 0.60 13.85 O HETATM 1383 O2AANAP X 204 45.040 36.377 114.255 0.60 12.69 O HETATM 1384 O5BANAP X 204 47.565 36.030 114.023 0.60 14.71 O HETATM 1385 C5BANAP X 204 48.923 36.423 114.050 0.60 14.07 C HETATM 1386 C4BANAP X 204 49.705 35.360 113.297 0.60 16.38 C HETATM 1387 O4BANAP X 204 49.394 35.460 111.920 0.60 20.10 O HETATM 1388 C3BANAP X 204 51.228 35.475 113.378 0.60 18.02 C HETATM 1389 O3BANAP X 204 51.752 34.839 114.516 0.60 16.09 O HETATM 1390 C2BANAP X 204 51.646 34.779 112.103 0.60 15.18 C HETATM 1391 O2BANAP X 204 51.558 33.386 112.263 0.60 18.71 O HETATM 1392 C1BANAP X 204 50.534 35.147 111.141 0.60 18.42 C HETATM 1393 N9AANAP X 204 51.029 36.307 110.395 0.60 17.40 N HETATM 1394 C8AANAP X 204 50.701 37.630 110.557 0.60 16.50 C HETATM 1395 N7AANAP X 204 51.422 38.358 109.664 0.60 18.53 N HETATM 1396 C5AANAP X 204 52.213 37.515 108.955 0.60 21.76 C HETATM 1397 C6AANAP X 204 53.138 37.708 107.933 0.60 24.33 C HETATM 1398 N6AANAP X 204 53.384 38.931 107.469 0.60 21.93 N HETATM 1399 N1AANAP X 204 53.800 36.619 107.390 0.60 20.44 N HETATM 1400 C2AANAP X 204 53.550 35.348 107.867 0.60 20.17 C HETATM 1401 N3AANAP X 204 52.636 35.164 108.884 0.60 19.84 N HETATM 1402 C4AANAP X 204 51.979 36.226 109.414 0.60 20.10 C HETATM 1403 O3 ANAP X 204 46.613 37.328 115.949 0.60 16.94 O HETATM 1404 PN ANAP X 204 46.306 38.556 116.929 0.60 13.31 P HETATM 1405 O1NANAP X 204 46.735 38.153 118.286 0.60 15.98 O HETATM 1406 O2NANAP X 204 46.908 39.761 116.323 0.60 16.41 O HETATM 1407 O5DANAP X 204 44.692 38.653 116.915 0.60 16.27 O HETATM 1408 C5DANAP X 204 43.903 37.642 117.523 0.60 14.86 C HETATM 1409 C4DANAP X 204 42.735 38.252 118.298 0.60 22.61 C HETATM 1410 O4DANAP X 204 41.934 39.018 117.416 0.60 19.41 O HETATM 1411 C3DANAP X 204 41.801 37.202 118.907 0.60 21.49 C HETATM 1412 O3DANAP X 204 41.497 37.550 120.234 0.60 17.47 O HETATM 1413 C2DANAP X 204 40.519 37.278 118.110 0.60 16.28 C HETATM 1414 O2DANAP X 204 39.391 37.140 118.940 0.60 18.52 O HETATM 1415 C1DANAP X 204 40.572 38.704 117.627 0.60 13.61 C HETATM 1416 N1NANAP X 204 39.756 38.912 116.426 0.60 15.93 N HETATM 1417 C2NANAP X 204 38.771 39.856 116.504 0.60 16.60 C HETATM 1418 C3NANAP X 204 37.962 40.125 115.415 0.60 15.84 C HETATM 1419 C7NANAP X 204 36.773 41.021 115.596 0.60 13.41 C HETATM 1420 O7NANAP X 204 36.050 41.438 114.462 0.60 14.55 O HETATM 1421 N7NANAP X 204 36.433 41.398 116.828 0.60 10.20 N HETATM 1422 C4NANAP X 204 38.170 39.418 114.235 0.60 15.36 C HETATM 1423 C5NANAP X 204 39.166 38.444 114.170 0.60 12.76 C HETATM 1424 C6NANAP X 204 39.965 38.201 115.281 0.60 16.22 C HETATM 1425 P2BANAP X 204 52.794 32.455 112.723 0.60 14.38 P HETATM 1426 O1XANAP X 204 53.211 32.880 114.113 0.60 12.60 O HETATM 1427 O2XANAP X 204 52.271 31.033 112.746 0.60 17.17 O HETATM 1428 O3XANAP X 204 53.923 32.601 111.742 0.60 17.18 O HETATM 0 HO3NANAP X 204 41.489 38.387 120.310 0.60 17.47 H new HETATM 0 HO3AANAP X 204 52.535 34.581 114.357 0.60 16.09 H new HETATM 0 HO2NANAP X 204 39.610 37.287 119.738 0.60 18.52 H new HETATM 0 H72NANAP X 204 35.754 41.912 116.948 0.60 10.20 H new HETATM 0 H71NANAP X 204 36.893 41.128 117.503 0.60 10.20 H new HETATM 0 H62AANAP X 204 53.957 39.044 106.837 0.60 21.93 H new HETATM 0 H61AANAP X 204 52.970 39.608 107.801 0.60 21.93 H new HETATM 0 H52NANAP X 204 43.565 37.038 116.843 0.60 14.86 H new HETATM 0 H52AANAP X 204 49.037 37.292 113.635 0.60 14.07 H new HETATM 0 H51NANAP X 204 44.453 37.114 118.123 0.60 14.86 H new HETATM 0 H51AANAP X 204 49.240 36.501 114.963 0.60 14.07 H new HETATM 0 H8AANAP X 204 50.065 37.984 111.198 0.60 16.50 H new HETATM 0 H6NANAP X 204 40.666 37.531 115.242 0.60 16.22 H new HETATM 0 H5NANAP X 204 39.301 37.938 113.353 0.60 12.76 H new HETATM 0 H4NANAP X 204 37.622 39.603 113.457 0.60 15.36 H new HETATM 0 H4DANAP X 204 43.134 38.779 119.008 0.60 22.61 H new HETATM 0 H4BANAP X 204 49.447 34.524 113.716 0.60 16.38 H new HETATM 0 H3DANAP X 204 42.208 36.322 118.890 0.60 21.49 H new HETATM 0 H3BANAP X 204 51.548 36.387 113.458 0.60 18.02 H new HETATM 0 H2NANAP X 204 38.638 40.343 117.332 0.60 16.60 H new HETATM 0 H2DANAP X 204 40.449 36.593 117.427 0.60 16.28 H new HETATM 0 H2BANAP X 204 52.546 35.021 111.832 0.60 15.18 H new HETATM 0 H2AANAP X 204 54.016 34.586 107.488 0.60 20.17 H new HETATM 0 H1DANAP X 204 40.191 39.301 118.290 0.60 13.61 H new HETATM 0 H1BANAP X 204 50.290 34.441 110.522 0.60 18.42 H new HETATM 1429 O HOH X 301 46.119 33.865 120.815 1.00 35.19 O HETATM 1430 O HOH X 302 30.357 33.396 109.113 1.00 26.23 O HETATM 1431 O BHOH X 303 38.728 40.504 113.698 0.27 12.75 O HETATM 1432 O HOH X 304 43.066 37.384 122.577 1.00 20.38 O HETATM 1433 O HOH X 305 55.798 36.853 105.964 1.00 31.06 O HETATM 1434 O HOH X 306 34.809 33.991 120.395 1.00 27.74 O HETATM 1435 O HOH X 307 34.331 37.021 95.376 1.00 31.56 O HETATM 1436 O HOH X 308 33.173 46.112 99.448 1.00 14.05 O HETATM 1437 O HOH X 309 31.168 40.331 116.575 1.00 23.26 O HETATM 1438 O HOH X 310 16.890 47.985 118.778 1.00 25.73 O HETATM 1439 O HOH X 311 37.827 27.197 102.320 1.00 36.00 O HETATM 1440 O HOH X 312 45.098 54.341 106.142 1.00 22.87 O HETATM 1441 O HOH X 313 40.694 55.806 120.168 1.00 31.07 O HETATM 1442 O HOH X 314 40.001 34.321 96.569 1.00 27.03 O HETATM 1443 O HOH X 315 45.130 38.691 127.954 1.00 18.89 O HETATM 1444 O HOH X 316 27.831 36.985 100.087 1.00 28.42 O HETATM 1445 O HOH X 317 52.774 28.706 114.220 1.00 24.21 O HETATM 1446 O HOH X 318 23.891 55.152 112.325 1.00 25.42 O HETATM 1447 O HOH X 319 51.183 26.754 113.399 1.00 31.32 O HETATM 1448 O HOH X 320 23.796 40.015 123.054 1.00 27.76 O HETATM 1449 O HOH X 321 27.239 30.720 104.612 1.00 30.97 O HETATM 1450 O HOH X 322 48.556 36.589 121.142 1.00 35.19 O HETATM 1451 O HOH X 323 19.980 52.789 111.489 1.00 18.28 O HETATM 1452 O HOH X 324 46.092 24.070 113.508 1.00 41.79 O HETATM 1453 O HOH X 325 37.290 48.783 125.831 1.00 14.56 O HETATM 1454 O HOH X 326 44.923 53.999 110.362 1.00 22.98 O HETATM 1455 O HOH X 327 34.619 43.151 129.277 1.00 21.80 O HETATM 1456 O HOH X 328 31.006 40.812 97.433 1.00 25.41 O HETATM 1457 O HOH X 329 36.509 40.614 127.858 1.00 22.13 O HETATM 1458 O HOH X 330 27.505 50.720 101.868 1.00 14.55 O HETATM 1459 O HOH X 331 29.638 40.730 99.875 1.00 24.77 O HETATM 1460 O HOH X 332 41.744 52.212 123.269 1.00 12.16 O HETATM 1461 O HOH X 333 36.675 35.646 96.641 1.00 24.69 O HETATM 1462 O HOH X 334 34.087 39.844 127.789 1.00 32.02 O HETATM 1463 O AHOH X 335 44.086 35.057 119.348 0.84 30.73 O HETATM 1464 O HOH X 336 26.368 49.899 106.884 1.00 11.72 O HETATM 1465 O HOH X 337 22.034 49.322 118.258 1.00 13.18 O HETATM 1466 O HOH X 338 18.429 50.445 111.625 1.00 23.53 O HETATM 1467 O HOH X 339 31.355 44.438 110.227 1.00 13.59 O HETATM 1468 O HOH X 340 19.641 45.022 125.716 1.00 31.71 O HETATM 1469 O HOH X 341 19.342 46.947 111.570 1.00 37.80 O HETATM 1470 O HOH X 342 29.604 46.794 108.372 1.00 13.19 O HETATM 1471 O HOH X 343 27.815 38.557 97.851 1.00 33.41 O HETATM 1472 O HOH X 344 48.056 33.944 96.532 1.00 32.45 O HETATM 1473 O HOH X 345 42.961 56.642 109.251 1.00 22.31 O HETATM 1474 O HOH X 346 51.768 44.369 112.992 1.00 31.19 O HETATM 1475 O HOH X 347 34.005 61.001 107.200 1.00 26.47 O HETATM 1476 O HOH X 348 46.067 47.779 116.658 1.00 12.08 O HETATM 1477 O HOH X 349 48.639 48.971 106.997 1.00 26.27 O HETATM 1478 O AHOH X 350 45.839 36.732 120.732 0.72 22.32 O HETATM 1479 O HOH X 351 52.022 45.606 105.069 1.00 36.50 O HETATM 1480 O HOH X 352 54.738 39.386 104.856 1.00 27.49 O HETATM 1481 O HOH X 353 57.647 21.767 106.623 1.00 29.45 O HETATM 1482 O HOH X 354 23.466 51.501 117.552 1.00 24.22 O HETATM 1483 O HOH X 355 21.543 56.294 109.623 1.00 12.79 O HETATM 1484 O HOH X 356 26.561 52.975 100.296 1.00 15.04 O HETATM 1485 O BHOH X 357 36.563 41.408 114.763 0.39 14.37 O HETATM 1486 O HOH X 358 40.101 49.030 126.421 1.00 13.69 O HETATM 1487 O HOH X 359 50.339 43.315 117.072 1.00 35.31 O HETATM 1488 O HOH X 360 52.870 33.830 120.000 1.00 28.26 O HETATM 1489 O HOH X 361 24.431 54.889 115.297 1.00 32.09 O HETATM 1490 O HOH X 362 57.951 26.606 109.943 1.00 35.07 O HETATM 1491 O HOH X 363 29.750 38.975 117.301 1.00 27.31 O HETATM 1492 O HOH X 364 43.761 54.494 108.291 1.00 27.43 O HETATM 1493 O HOH X 365 21.384 55.915 112.032 1.00 25.47 O HETATM 1494 O HOH X 366 53.873 37.395 112.318 1.00 32.99 O HETATM 1495 O HOH X 367 55.710 39.077 110.648 1.00 38.22 O HETATM 1496 O HOH X 368 41.547 51.314 125.766 1.00 20.10 O HETATM 1497 O HOH X 369 27.884 47.500 106.319 1.00 15.26 O HETATM 1498 O HOH X 370 52.676 46.215 110.585 1.00 33.80 O HETATM 1499 O HOH X 371 33.775 43.215 131.997 1.00 23.83 O CONECT 1297 1298 1299 CONECT 1298 1297 CONECT 1299 1297 1300 1301 CONECT 1300 1299 CONECT 1301 1299 1302 CONECT 1302 1301 CONECT 1303 1304 1307 1312 CONECT 1304 1303 1305 1313 CONECT 1305 1304 1306 1309 CONECT 1306 1305 1310 CONECT 1307 1303 1310 CONECT 1308 1309 CONECT 1309 1305 1308 CONECT 1310 1306 1307 1311 CONECT 1311 1310 CONECT 1312 1303 CONECT 1313 1304 1314 CONECT 1314 1313 1315 CONECT 1315 1314 1316 CONECT 1316 1315 1317 1318 CONECT 1317 1316 1323 CONECT 1318 1316 1319 1321 CONECT 1319 1318 1320 CONECT 1320 1319 CONECT 1321 1318 1322 CONECT 1322 1321 1323 CONECT 1323 1317 1322 1324 CONECT 1324 1323 1325 1332 CONECT 1325 1324 1326 CONECT 1326 1325 1327 CONECT 1327 1326 1328 1331 CONECT 1328 1327 1329 1330 CONECT 1329 1328 CONECT 1330 1328 CONECT 1331 1327 1332 CONECT 1332 1324 1331 CONECT 1333 1334 CONECT 1334 1333 1335 1348 CONECT 1335 1334 1336 1346 CONECT 1336 1335 1337 CONECT 1337 1336 1338 1345 CONECT 1338 1337 1339 CONECT 1339 1338 1340 CONECT 1340 1339 1341 1344 CONECT 1341 1340 1342 1343 CONECT 1342 1341 CONECT 1343 1341 CONECT 1344 1340 1345 CONECT 1345 1337 1344 1346 CONECT 1346 1335 1345 1347 CONECT 1347 1346 1348 CONECT 1348 1334 1347 1349 CONECT 1349 1348 1350 CONECT 1350 1349 1351 CONECT 1351 1350 1352 1353 1354 CONECT 1352 1351 CONECT 1353 1351 CONECT 1354 1351 1355 CONECT 1355 1354 1356 1357 1358 CONECT 1356 1355 CONECT 1357 1355 CONECT 1358 1355 1359 CONECT 1359 1358 1360 CONECT 1360 1359 1361 1362 CONECT 1361 1360 1370 CONECT 1362 1360 1363 1364 CONECT 1363 1362 CONECT 1364 1362 1365 1370 CONECT 1365 1364 1366 CONECT 1366 1365 1367 1368 1369 CONECT 1367 1366 CONECT 1368 1366 CONECT 1369 1366 CONECT 1370 1361 1364 1371 CONECT 1371 1370 1372 1375 CONECT 1372 1371 1373 CONECT 1373 1372 1374 CONECT 1374 1373 1375 1379 CONECT 1375 1371 1374 1376 CONECT 1376 1375 1377 CONECT 1377 1376 1378 CONECT 1378 1377 1379 CONECT 1379 1374 1378 1380 CONECT 1380 1379 CONECT 1381 1382 1383 1384 1403 CONECT 1382 1381 CONECT 1383 1381 CONECT 1384 1381 1385 CONECT 1385 1384 1386 CONECT 1386 1385 1387 1388 CONECT 1387 1386 1392 CONECT 1388 1386 1389 1390 CONECT 1389 1388 CONECT 1390 1388 1391 1392 CONECT 1391 1390 1425 CONECT 1392 1387 1390 1393 CONECT 1393 1392 1394 1402 CONECT 1394 1393 1395 CONECT 1395 1394 1396 CONECT 1396 1395 1397 1402 CONECT 1397 1396 1398 1399 CONECT 1398 1397 CONECT 1399 1397 1400 CONECT 1400 1399 1401 CONECT 1401 1400 1402 CONECT 1402 1393 1396 1401 CONECT 1403 1381 1404 CONECT 1404 1403 1405 1406 1407 CONECT 1405 1404 CONECT 1406 1404 CONECT 1407 1404 1408 CONECT 1408 1407 1409 CONECT 1409 1408 1410 1411 CONECT 1410 1409 1415 CONECT 1411 1409 1412 1413 CONECT 1412 1411 CONECT 1413 1411 1414 1415 CONECT 1414 1413 CONECT 1415 1410 1413 1416 CONECT 1416 1415 1417 1424 CONECT 1417 1416 1418 CONECT 1418 1417 1419 1422 CONECT 1419 1418 1420 1421 CONECT 1420 1419 CONECT 1421 1419 CONECT 1422 1418 1423 CONECT 1423 1422 1424 CONECT 1424 1416 1423 CONECT 1425 1391 1426 1427 1428 CONECT 1426 1425 CONECT 1427 1425 CONECT 1428 1425 END