USER MOD reduce.3.24.130724 H: found=0, std=0, add=1291, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXIDOREDUCTASE 06-JAN-16 5HF2 TITLE STAPHYLOCOCCUS AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH CYCLIZED TITLE 2 ALPHA-NADPH ANOMER AND 3'-(3-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)PROP- TITLE 3 2-YN-1-YL)-5'-METHOXY-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID (UCP1175) CAVEAT 5HF2 NADPH DERIVATIVE LIGAND XNP SHOULD HAVE FLAT ADENINE RING, CAVEAT 2 5HF2 BUT THE ADENINE OF THE LIGAND MODEL IN THIS STRUCTURE WAS CAVEAT 3 5HF2 BUILT AS PUCKER 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-41 KEYWDS OXIDOREDUCTASE, NADPH, PROPARGYL-LINKED ANTIFOLATES, DIHYDROFOLATE KEYWDS 2 REDUCTASE, ANTIBIOTICS EXPDTA X-RAY DIFFRACTION AUTHOR S.M.REEVE,A.C.ANDERSON REVDAT 1 18-JAN-17 5HF2 0 JRNL AUTH S.M.REEVE,A.C.ANDERSON JRNL TITL STAPHYLOCOCCUS AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH JRNL TITL 2 CYCLIZED ALPHA-NADPH ANOMER AND JRNL TITL 3 3'-(3-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)PROP-2-YN-1-YL) JRNL TITL 4 -5'-METHOXY-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID (UCP1175) JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.81 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) : 1.81 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.17 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.330 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 18798 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.203 REMARK 3 R VALUE (WORKING SET) : 0.199 REMARK 3 FREE R VALUE : 0.232 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1880 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 25.1680 - 4.2496 0.98 1422 157 0.1513 0.1779 REMARK 3 2 4.2496 - 3.3756 1.00 1341 150 0.1555 0.1934 REMARK 3 3 3.3756 - 2.9497 1.00 1320 147 0.2047 0.2132 REMARK 3 4 2.9497 - 2.6803 1.00 1307 145 0.2243 0.2526 REMARK 3 5 2.6803 - 2.4884 1.00 1296 144 0.2274 0.2885 REMARK 3 6 2.4884 - 2.3418 1.00 1301 145 0.2290 0.2610 REMARK 3 7 2.3418 - 2.2246 1.00 1284 142 0.2409 0.2517 REMARK 3 8 2.2246 - 2.1278 1.00 1273 142 0.2287 0.2716 REMARK 3 9 2.1278 - 2.0459 1.00 1285 142 0.2231 0.2513 REMARK 3 10 2.0459 - 1.9754 1.00 1257 140 0.2445 0.2831 REMARK 3 11 1.9754 - 1.9136 1.00 1280 143 0.2420 0.2985 REMARK 3 12 1.9136 - 1.8589 1.00 1272 141 0.2711 0.3555 REMARK 3 13 1.8589 - 1.8100 1.00 1280 142 0.2763 0.3027 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) : 0.200 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 24.350 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 : 0.009 1410 REMARK 3 ANGLE : 1.810 1926 REMARK 3 CHIRALITY : 0.209 215 REMARK 3 PLANARITY : 0.006 237 REMARK 3 DIHEDRAL : 16.577 609 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 5HF2 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_1000216880. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 19-JUL-15 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.0 REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 HF REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5417 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : D*TREK REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18798 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.810 REMARK 200 RESOLUTION RANGE LOW (A) : 25.170 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 12.32 REMARK 200 R MERGE (I) : 0.11000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 11.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.81 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.87 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 REMARK 200 DATA REDUNDANCY IN SHELL : 12.03 REMARK 200 R MERGE FOR SHELL (I) : 0.64400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.300 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 (%): 54.58 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.71 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES PH 5.0, 0.1M SODIUM ACETATE, REMARK 280 17% PEG 10,000 AND 1% GAMMA-BUTYROLACTONE, VAPOR DIFFUSION, REMARK 280 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 36.08233 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 72.16467 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 54.12350 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 90.20583 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 18.04117 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 36.08233 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 72.16467 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 90.20583 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 54.12350 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 18.04117 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 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 OG SER X 78 OE1 GLU X 80 2.09 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 -152.28 -130.01 REMARK 500 ASP X 142 -160.51 -161.11 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 XNP X 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue U75 X 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GOL X 203 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4XEC RELATED DB: PDB REMARK 900 4XEC IS THE SAME PROTEIN COMPLEXED WITH A DIFFERENT PLA INHIBITOR. REMARK 900 RELATED ID: 5HF0 RELATED DB: PDB DBREF 5HF2 X 1 157 UNP P0A017 DYR_STAAU 2 158 SEQRES 1 X 157 THR LEU SER ILE LEU VAL ALA HIS ASP LEU GLN ARG VAL SEQRES 2 X 157 ILE GLY PHE GLU ASN GLN LEU PRO TRP HIS LEU PRO ASN SEQRES 3 X 157 ASP LEU LYS HIS VAL LYS LYS LEU SER THR GLY HIS THR SEQRES 4 X 157 LEU VAL MET GLY ARG LYS THR PHE GLU SER ILE GLY LYS SEQRES 5 X 157 PRO LEU PRO ASN ARG ARG ASN VAL VAL LEU THR SER ASP SEQRES 6 X 157 THR SER PHE ASN VAL GLU GLY VAL ASP VAL ILE HIS SER SEQRES 7 X 157 ILE GLU ASP ILE TYR GLN LEU PRO GLY HIS VAL PHE ILE SEQRES 8 X 157 PHE GLY GLY GLN THR LEU PHE GLU GLU MET ILE ASP LYS SEQRES 9 X 157 VAL ASP ASP MET TYR ILE THR VAL ILE GLU GLY LYS PHE SEQRES 10 X 157 ARG GLY ASP THR PHE PHE PRO PRO TYR THR PHE GLU ASP SEQRES 11 X 157 TRP GLU VAL ALA SER SER VAL GLU GLY LYS LEU ASP GLU SEQRES 12 X 157 LYS ASN THR ILE PRO HIS THR PHE LEU HIS LEU ILE ARG SEQRES 13 X 157 LYS HET XNP X 201 48 HET U75 X 202 30 HET GOL X 203 6 HETNAM XNP TRICYCLIC NADPH HETNAM U75 4-[3-[3-[2,4-BIS(AZANYL)-6-ETHYL-PYRIMIDIN-5-YL]PROP-2- HETNAM 2 U75 YNYL]-5-METHOXY-PHENYL]BENZOIC ACID HETNAM GOL GLYCEROL HETSYN U75 3'-(3-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)PROP-2-YN-1- HETSYN 2 U75 YL)-5'-METHOXY-[1,1'-BIPHENYL]-4-CARBOXYLIC ACID; HETSYN 3 U75 UCP1175 HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 2 XNP C21 H30 N7 O17 P3 FORMUL 3 U75 C23 H22 N4 O3 FORMUL 4 GOL C3 H8 O3 FORMUL 5 HOH *120(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 ILE X 113 N HIS X 8 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 VAL X 137 O PHE X 151 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 3.12 SITE *** AC1 28 ILE X 14 ASN X 18 LEU X 20 GLY X 43 SITE *** AC1 28 ARG X 44 LYS X 45 THR X 46 SER X 49 SITE *** AC1 28 LEU X 62 THR X 63 SER X 64 SER X 67 SITE *** AC1 28 HIS X 77 ILE X 79 GLY X 94 GLN X 95 SITE *** AC1 28 THR X 96 LEU X 97 GLU X 100 THR X 121 SITE *** AC1 28 HOH X 303 HOH X 304 HOH X 305 HOH X 319 SITE *** AC1 28 HOH X 332 HOH X 347 HOH X 360 HOH X 364 SITE *** AC2 17 LEU X 5 VAL X 6 ALA X 7 ASN X 18 SITE *** AC2 17 GLN X 19 LEU X 20 ASP X 27 LEU X 28 SITE *** AC2 17 VAL X 31 THR X 46 SER X 49 ILE X 50 SITE *** AC2 17 PHE X 92 THR X 111 HOH X 328 HOH X 334 SITE *** AC2 17 HOH X 378 SITE *** AC3 4 ARG X 12 PRO X 125 TYR X 126 GLU X 132 CRYST1 79.022 79.022 108.247 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 0.012655 0.007306 0.000000 0.00000 SCALE2 0.000000 0.014612 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009238 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 109 TYR OH : rot 180:sc= 1.71 USER MOD Set 1.2: X 153 HIS : no HD1:sc= 2.31 K(o=4,f=-4.9!) USER MOD Set 2.1: X 8 HIS : no HE2:sc= 1.32 K(o=3.9,f=-6.7!) USER MOD Set 2.2: X 126 TYR OH : rot -4:sc= 2.56 USER MOD Set 3.1: X 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: X 101 MET CE :methyl -169:sc= -0.372 (180deg=-0.519) USER MOD Set 4.1: X 26 ASN : amide:sc= -0.2 K(o=-1.5,f=-2.7) USER MOD Set 4.2: X 149 HIS : no HE2:sc= -1.26 K(o=-1.5,f=-7.4!) USER MOD Set 5.1: X 3 SER OG : rot -70:sc= 2.29 USER MOD Set 5.2: X 88 HIS : +bothHN:sc= 1.9 K(o=4.2,f=-9.2!) USER MOD Single : X 1 THR N :NH3+ 148:sc= 0.0325 (180deg=0) USER MOD Single : X 1 THR OG1 : rot 180:sc= 0.0206 USER MOD Single : X 11 GLN : amide:sc= 1.22 K(o=1.2,f=0.49) USER MOD Single : X 18 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.2) USER MOD Single : X 19 GLN : amide:sc= 0.303 K(o=0.3,f=-0.81) USER MOD Single : X 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 29 LYS NZ :NH3+ 168:sc=-0.00273 (180deg=-0.0951) USER MOD Single : X 30 HIS : no HE2:sc= 1.68 K(o=1.7,f=-0.65) 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 -68:sc= 1.3 USER MOD Single : X 36 THR OG1 : rot 86:sc= 2.14 USER MOD Single : X 38 HIS : no HD1:sc= 2.7 K(o=2.7,f=-9.7!) USER MOD Single : X 39 THR OG1 : rot 93:sc= 2.31 USER MOD Single : X 42 MET CE :methyl 173:sc= 0 (180deg=-0.0145) USER MOD Single : X 45 LYS NZ :NH3+ 166:sc= 1.38 (180deg=1.17) USER MOD Single : X 46 THR OG1 : rot 76:sc= 1.09 USER MOD Single : X 49 SER OG : rot 80:sc= 0.503 USER MOD Single : X 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 56 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : X 59 ASN : amide:sc= 0.774 K(o=0.77,f=-3.1!) USER MOD Single : X 63 THR OG1 : rot 79:sc= 1.32 USER MOD Single : X 64 SER OG : rot -55:sc= 1.3 USER MOD Single : X 66 THR OG1 : rot 89:sc= 0.9 USER MOD Single : X 67 SER OG : rot 60:sc=0.000147 USER MOD Single : X 69 ASN : amide:sc= -0.0011 X(o=-0.0011,f=-0.0073) USER MOD Single : X 77 HIS : no HE2:sc= 0.966 K(o=0.97,f=-2.6!) USER MOD Single : X 78 SER OG A: rot 109:sc= -2.59! USER MOD Single : X 78 SER OG B: rot 180:sc= 0 USER MOD Single : X 84 GLN : amide:sc= 0.262 K(o=0.26,f=-0.59) USER MOD Single : X 95 GLN : amide:sc= 1.97 K(o=2,f=-2.2!) USER MOD Single : X 96 THR OG1 : rot 138:sc= 1.32 USER MOD Single : X 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 108 MET CE :methyl -123:sc= -0.867 (180deg=-1.95) USER MOD Single : X 111 THR OG1 : rot 167:sc= 2.05 USER MOD Single : X 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 121 THR OG1 : rot 67:sc= 1.07 USER MOD Single : X 127 THR OG1 : rot 170:sc= -0.0548 USER MOD Single : X 135 SER OG : rot 90:sc= 1.82 USER MOD Single : X 136 SER OG : rot -78:sc= 2.34 USER MOD Single : X 140 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00148) USER MOD Single : X 144 LYS NZ :NH3+ -162:sc= -0.0359 (180deg=-0.148) USER MOD Single : X 145 ASN : amide:sc= 1.97 K(o=2,f=-6.3!) USER MOD Single : X 146 THR OG1 : rot -77:sc= 0.0105 USER MOD Single : X 150 THR OG1 : rot 108:sc= 0.469 USER MOD Single : X 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 203 GOL O1 : rot 180:sc= -0.637 USER MOD Single : X 203 GOL O2 : rot -127:sc= 0.339 USER MOD Single : X 203 GOL O3 : rot -151:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 1 N THR X 1 1.542 25.219 -13.089 1.00 39.88 N ATOM 2 CA THR X 1 1.547 24.270 -11.978 1.00 39.44 C ATOM 3 C THR X 1 0.844 24.851 -10.744 1.00 36.17 C ATOM 4 O THR X 1 1.021 26.027 -10.417 1.00 30.76 O ATOM 5 CB THR X 1 2.990 23.864 -11.599 1.00 38.59 C ATOM 6 OG1 THR X 1 3.692 23.423 -12.769 1.00 49.32 O ATOM 7 CG2 THR X 1 2.993 22.753 -10.557 1.00 35.68 C ATOM 0 H1 THR X 1 2.279 25.110 -13.576 1.00 39.88 H new ATOM 0 H2 THR X 1 0.826 25.077 -13.598 1.00 39.88 H new ATOM 0 H3 THR X 1 1.518 26.050 -12.770 1.00 39.88 H new ATOM 0 HA THR X 1 1.063 23.484 -12.275 1.00 39.44 H new ATOM 0 HB THR X 1 3.433 24.640 -11.221 1.00 38.59 H new ATOM 0 HG1 THR X 1 4.476 23.205 -12.560 1.00 49.32 H new ATOM 0 HG21 THR X 1 3.908 22.518 -10.337 1.00 35.68 H new ATOM 0 HG22 THR X 1 2.537 23.058 -9.757 1.00 35.68 H new ATOM 0 HG23 THR X 1 2.536 21.975 -10.912 1.00 35.68 H new ATOM 8 N LEU X 2 0.040 24.025 -10.077 1.00 29.86 N ATOM 9 CA LEU X 2 -0.577 24.381 -8.799 1.00 27.37 C ATOM 10 C LEU X 2 0.056 23.569 -7.659 1.00 22.19 C ATOM 11 O LEU X 2 -0.066 22.354 -7.638 1.00 23.23 O ATOM 12 CB LEU X 2 -2.080 24.128 -8.847 1.00 24.40 C ATOM 13 CG LEU X 2 -2.879 24.659 -7.665 1.00 30.57 C ATOM 14 CD1 LEU X 2 -2.728 26.165 -7.578 1.00 31.80 C ATOM 15 CD2 LEU X 2 -4.351 24.268 -7.795 1.00 33.03 C ATOM 0 H LEU X 2 -0.164 23.237 -10.355 1.00 29.86 H new ATOM 0 HA LEU X 2 -0.424 25.325 -8.635 1.00 27.37 H new ATOM 0 HB2 LEU X 2 -2.432 24.526 -9.659 1.00 24.40 H new ATOM 0 HB3 LEU X 2 -2.228 23.172 -8.912 1.00 24.40 H new ATOM 0 HG LEU X 2 -2.535 24.264 -6.848 1.00 30.57 H new ATOM 0 HD11 LEU X 2 -3.239 26.499 -6.824 1.00 31.80 H new ATOM 0 HD12 LEU X 2 -1.792 26.390 -7.459 1.00 31.80 H new ATOM 0 HD13 LEU X 2 -3.057 26.571 -8.395 1.00 31.80 H new ATOM 0 HD21 LEU X 2 -4.846 24.613 -7.036 1.00 33.03 H new ATOM 0 HD22 LEU X 2 -4.714 24.641 -8.614 1.00 33.03 H new ATOM 0 HD23 LEU X 2 -4.428 23.301 -7.819 1.00 33.03 H new ATOM 16 N SER X 3 0.715 24.236 -6.716 1.00 24.03 N ATOM 17 CA SER X 3 1.428 23.529 -5.637 1.00 20.48 C ATOM 18 C SER X 3 0.967 24.011 -4.264 1.00 23.77 C ATOM 19 O SER X 3 0.537 25.159 -4.119 1.00 25.19 O ATOM 20 CB SER X 3 2.949 23.734 -5.738 1.00 23.16 C ATOM 21 OG SER X 3 3.442 23.593 -7.071 1.00 23.73 O ATOM 0 H SER X 3 0.766 25.094 -6.677 1.00 24.03 H new ATOM 0 HA SER X 3 1.222 22.587 -5.740 1.00 20.48 H new ATOM 0 HB2 SER X 3 3.174 24.617 -5.407 1.00 23.16 H new ATOM 0 HB3 SER X 3 3.396 23.093 -5.163 1.00 23.16 H new ATOM 0 HG SER X 3 3.400 22.786 -7.302 1.00 23.73 H new ATOM 22 N ILE X 4 1.068 23.139 -3.261 1.00 17.84 N ATOM 23 CA ILE X 4 1.010 23.593 -1.876 1.00 19.27 C ATOM 24 C ILE X 4 2.420 23.943 -1.390 1.00 23.23 C ATOM 25 O ILE X 4 3.410 23.306 -1.785 1.00 20.84 O ATOM 26 CB ILE X 4 0.336 22.523 -0.980 1.00 17.91 C ATOM 27 CG1 ILE X 4 -1.184 22.778 -0.956 1.00 20.15 C ATOM 28 CG2 ILE X 4 0.842 22.557 0.450 1.00 19.17 C ATOM 29 CD1 ILE X 4 -1.999 21.683 -0.250 1.00 16.20 C ATOM 0 H ILE X 4 1.169 22.291 -3.361 1.00 17.84 H new ATOM 0 HA ILE X 4 0.466 24.394 -1.820 1.00 19.27 H new ATOM 0 HB ILE X 4 0.551 21.655 -1.356 1.00 17.91 H new ATOM 0 HG12 ILE X 4 -1.352 23.626 -0.516 1.00 20.15 H new ATOM 0 HG13 ILE X 4 -1.501 22.865 -1.869 1.00 20.15 H new ATOM 0 HG21 ILE X 4 0.392 21.872 0.969 1.00 19.17 H new ATOM 0 HG22 ILE X 4 1.798 22.394 0.459 1.00 19.17 H new ATOM 0 HG23 ILE X 4 0.660 23.427 0.837 1.00 19.17 H new ATOM 0 HD11 ILE X 4 -2.941 21.913 -0.276 1.00 16.20 H new ATOM 0 HD12 ILE X 4 -1.861 20.835 -0.701 1.00 16.20 H new ATOM 0 HD13 ILE X 4 -1.710 21.608 0.673 1.00 16.20 H new ATOM 30 N LEU X 5 2.513 25.000 -0.587 1.00 18.58 N ATOM 31 CA LEU X 5 3.751 25.373 0.101 1.00 19.57 C ATOM 32 C LEU X 5 3.455 25.536 1.583 1.00 19.07 C ATOM 33 O LEU X 5 2.665 26.387 1.957 1.00 19.27 O ATOM 34 CB LEU X 5 4.309 26.670 -0.482 1.00 19.37 C ATOM 35 CG LEU X 5 5.564 27.319 0.103 1.00 19.24 C ATOM 36 CD1 LEU X 5 6.742 26.342 0.074 1.00 23.00 C ATOM 37 CD2 LEU X 5 5.899 28.609 -0.670 1.00 19.79 C ATOM 0 H LEU X 5 1.854 25.527 -0.423 1.00 18.58 H new ATOM 0 HA LEU X 5 4.418 24.679 -0.021 1.00 19.57 H new ATOM 0 HB2 LEU X 5 4.485 26.507 -1.422 1.00 19.37 H new ATOM 0 HB3 LEU X 5 3.600 27.330 -0.437 1.00 19.37 H new ATOM 0 HG LEU X 5 5.393 27.550 1.029 1.00 19.24 H new ATOM 0 HD11 LEU X 5 7.527 26.771 0.448 1.00 23.00 H new ATOM 0 HD12 LEU X 5 6.523 25.555 0.597 1.00 23.00 H new ATOM 0 HD13 LEU X 5 6.923 26.080 -0.842 1.00 23.00 H new ATOM 0 HD21 LEU X 5 6.696 29.015 -0.293 1.00 19.79 H new ATOM 0 HD22 LEU X 5 6.056 28.396 -1.603 1.00 19.79 H new ATOM 0 HD23 LEU X 5 5.157 29.230 -0.601 1.00 19.79 H new ATOM 38 N VAL X 6 4.079 24.731 2.436 1.00 16.83 N ATOM 39 CA VAL X 6 3.701 24.728 3.853 1.00 15.65 C ATOM 40 C VAL X 6 4.865 24.256 4.722 1.00 17.74 C ATOM 41 O VAL X 6 5.691 23.434 4.300 1.00 16.18 O ATOM 42 CB VAL X 6 2.447 23.830 4.109 1.00 16.91 C ATOM 43 CG1 VAL X 6 2.739 22.349 3.760 1.00 17.91 C ATOM 44 CG2 VAL X 6 1.958 23.926 5.560 1.00 15.23 C ATOM 0 H VAL X 6 4.712 24.188 2.225 1.00 16.83 H new ATOM 0 HA VAL X 6 3.476 25.640 4.095 1.00 15.65 H new ATOM 0 HB VAL X 6 1.746 24.163 3.528 1.00 16.91 H new ATOM 0 HG11 VAL X 6 1.947 21.815 3.927 1.00 17.91 H new ATOM 0 HG12 VAL X 6 2.984 22.279 2.824 1.00 17.91 H new ATOM 0 HG13 VAL X 6 3.469 22.025 4.310 1.00 17.91 H new ATOM 0 HG21 VAL X 6 1.182 23.357 5.678 1.00 15.23 H new ATOM 0 HG22 VAL X 6 2.664 23.638 6.159 1.00 15.23 H new ATOM 0 HG23 VAL X 6 1.719 24.844 5.761 1.00 15.23 H new ATOM 45 N ALA X 7 4.925 24.792 5.937 1.00 17.84 N ATOM 46 CA ALA X 7 5.806 24.287 6.977 1.00 16.61 C ATOM 47 C ALA X 7 4.922 23.751 8.098 1.00 21.05 C ATOM 48 O ALA X 7 4.084 24.497 8.608 1.00 18.10 O ATOM 49 CB ALA X 7 6.724 25.393 7.509 1.00 17.72 C ATOM 0 H ALA X 7 4.449 25.466 6.181 1.00 17.84 H new ATOM 0 HA ALA X 7 6.377 23.589 6.620 1.00 16.61 H new ATOM 0 HB1 ALA X 7 7.300 25.031 8.200 1.00 17.72 H new ATOM 0 HB2 ALA X 7 7.267 25.739 6.784 1.00 17.72 H new ATOM 0 HB3 ALA X 7 6.186 26.110 7.880 1.00 17.72 H new ATOM 50 N HIS X 8 5.071 22.474 8.469 1.00 19.28 N ATOM 51 CA HIS X 8 4.302 21.956 9.611 1.00 19.96 C ATOM 52 C HIS X 8 5.152 21.079 10.519 1.00 21.80 C ATOM 53 O HIS X 8 6.164 20.528 10.087 1.00 20.08 O ATOM 54 CB HIS X 8 3.036 21.212 9.145 1.00 17.16 C ATOM 55 CG HIS X 8 3.273 19.887 8.477 1.00 16.48 C ATOM 56 ND1 HIS X 8 3.767 18.789 9.148 1.00 18.67 N ATOM 57 CD2 HIS X 8 3.008 19.466 7.217 1.00 18.95 C ATOM 58 CE1 HIS X 8 3.829 17.761 8.322 1.00 22.11 C ATOM 59 NE2 HIS X 8 3.376 18.145 7.142 1.00 20.53 N ATOM 0 H HIS X 8 5.594 21.907 8.088 1.00 19.28 H new ATOM 0 HA HIS X 8 4.020 22.723 10.134 1.00 19.96 H new ATOM 0 HB2 HIS X 8 2.461 21.071 9.914 1.00 17.16 H new ATOM 0 HB3 HIS X 8 2.551 21.784 8.530 1.00 17.16 H new ATOM 0 HD1 HIS X 8 3.999 18.776 9.976 1.00 18.67 H new ATOM 0 HD2 HIS X 8 2.644 19.977 6.530 1.00 18.95 H new ATOM 0 HE1 HIS X 8 4.139 16.910 8.535 1.00 22.11 H new ATOM 60 N ASP X 9 4.746 20.971 11.787 1.00 16.23 N ATOM 61 CA ASP X 9 5.532 20.222 12.750 1.00 17.74 C ATOM 62 C ASP X 9 5.120 18.743 12.739 1.00 19.63 C ATOM 63 O ASP X 9 4.408 18.321 11.851 1.00 18.27 O ATOM 64 CB ASP X 9 5.438 20.869 14.152 1.00 19.70 C ATOM 65 CG ASP X 9 4.168 20.512 14.926 1.00 19.06 C ATOM 66 OD1 ASP X 9 3.265 19.820 14.415 1.00 20.02 O ATOM 67 OD2 ASP X 9 4.075 20.965 16.089 1.00 20.40 O ATOM 0 H ASP X 9 4.026 21.322 12.100 1.00 16.23 H new ATOM 0 HA ASP X 9 6.468 20.253 12.497 1.00 17.74 H new ATOM 0 HB2 ASP X 9 6.209 20.598 14.674 1.00 19.70 H new ATOM 0 HB3 ASP X 9 5.485 21.833 14.056 1.00 19.70 H new ATOM 68 N LEU X 10 5.586 17.968 13.715 1.00 20.00 N ATOM 69 CA LEU X 10 5.341 16.534 13.734 1.00 22.03 C ATOM 70 C LEU X 10 3.871 16.176 13.866 1.00 24.54 C ATOM 71 O LEU X 10 3.463 15.062 13.512 1.00 25.07 O ATOM 72 CB LEU X 10 6.128 15.873 14.867 1.00 21.60 C ATOM 73 CG LEU X 10 7.649 15.942 14.694 1.00 20.83 C ATOM 74 CD1 LEU X 10 8.349 15.483 15.933 1.00 28.48 C ATOM 75 CD2 LEU X 10 8.093 15.122 13.492 1.00 24.25 C ATOM 0 H LEU X 10 6.049 18.258 14.379 1.00 20.00 H new ATOM 0 HA LEU X 10 5.642 16.199 12.875 1.00 22.03 H new ATOM 0 HB2 LEU X 10 5.888 16.297 15.705 1.00 21.60 H new ATOM 0 HB3 LEU X 10 5.861 14.943 14.933 1.00 21.60 H new ATOM 0 HG LEU X 10 7.891 16.868 14.537 1.00 20.83 H new ATOM 0 HD11 LEU X 10 9.309 15.535 15.801 1.00 28.48 H new ATOM 0 HD12 LEU X 10 8.094 16.050 16.678 1.00 28.48 H new ATOM 0 HD13 LEU X 10 8.099 14.566 16.125 1.00 28.48 H new ATOM 0 HD21 LEU X 10 9.057 15.178 13.400 1.00 24.25 H new ATOM 0 HD22 LEU X 10 7.834 14.196 13.619 1.00 24.25 H new ATOM 0 HD23 LEU X 10 7.671 15.468 12.690 1.00 24.25 H new ATOM 76 N GLN X 11 3.070 17.106 14.369 1.00 20.19 N ATOM 77 CA GLN X 11 1.649 16.841 14.516 1.00 20.27 C ATOM 78 C GLN X 11 0.821 17.734 13.585 1.00 23.82 C ATOM 79 O GLN X 11 -0.367 17.919 13.792 1.00 23.20 O ATOM 80 CB GLN X 11 1.241 17.008 15.984 1.00 24.08 C ATOM 81 CG GLN X 11 1.874 15.915 16.844 1.00 27.81 C ATOM 82 CD GLN X 11 1.667 16.088 18.340 1.00 38.85 C ATOM 83 OE1 GLN X 11 1.717 17.203 18.878 1.00 30.58 O ATOM 84 NE2 GLN X 11 1.436 14.970 19.024 1.00 35.90 N ATOM 0 H GLN X 11 3.325 17.886 14.627 1.00 20.19 H new ATOM 0 HA GLN X 11 1.469 15.924 14.255 1.00 20.27 H new ATOM 0 HB2 GLN X 11 1.518 17.880 16.305 1.00 24.08 H new ATOM 0 HB3 GLN X 11 0.275 16.970 16.063 1.00 24.08 H new ATOM 0 HG2 GLN X 11 1.509 15.057 16.576 1.00 27.81 H new ATOM 0 HG3 GLN X 11 2.826 15.888 16.662 1.00 27.81 H new ATOM 0 HE21 GLN X 11 1.409 14.214 18.615 1.00 35.90 H new ATOM 0 HE22 GLN X 11 1.314 15.004 19.875 1.00 35.90 H new ATOM 85 N ARG X 12 1.488 18.248 12.553 1.00 19.41 N ATOM 86 CA ARG X 12 0.918 19.098 11.508 1.00 18.31 C ATOM 87 C ARG X 12 0.474 20.490 11.972 1.00 18.46 C ATOM 88 O ARG X 12 -0.304 21.142 11.289 1.00 20.34 O ATOM 89 CB ARG X 12 -0.255 18.383 10.810 1.00 17.95 C ATOM 90 CG ARG X 12 0.196 17.407 9.709 1.00 18.96 C ATOM 91 CD ARG X 12 -0.980 16.611 9.146 1.00 23.67 C ATOM 92 NE ARG X 12 -1.497 15.695 10.156 1.00 23.59 N ATOM 93 CZ ARG X 12 -2.571 15.922 10.908 1.00 25.90 C ATOM 94 NH1 ARG X 12 -3.288 17.038 10.751 1.00 21.76 N ATOM 95 NH2 ARG X 12 -2.929 15.025 11.821 1.00 26.15 N ATOM 0 H ARG X 12 2.328 18.103 12.438 1.00 19.41 H new ATOM 0 HA ARG X 12 1.647 19.249 10.886 1.00 18.31 H new ATOM 0 HB2 ARG X 12 -0.770 17.897 11.473 1.00 17.95 H new ATOM 0 HB3 ARG X 12 -0.846 19.047 10.422 1.00 17.95 H new ATOM 0 HG2 ARG X 12 0.625 17.902 8.993 1.00 18.96 H new ATOM 0 HG3 ARG X 12 0.858 16.796 10.069 1.00 18.96 H new ATOM 0 HD2 ARG X 12 -1.682 17.217 8.859 1.00 23.67 H new ATOM 0 HD3 ARG X 12 -0.697 16.113 8.363 1.00 23.67 H new ATOM 0 HE ARG X 12 -1.077 14.954 10.274 1.00 23.59 H new ATOM 0 HH11 ARG X 12 -3.057 17.618 10.159 1.00 21.76 H new ATOM 0 HH12 ARG X 12 -3.981 17.177 11.241 1.00 21.76 H new ATOM 0 HH21 ARG X 12 -2.468 14.306 11.921 1.00 26.15 H new ATOM 0 HH22 ARG X 12 -3.622 15.164 12.311 1.00 26.15 H new ATOM 96 N VAL X 13 0.987 20.962 13.100 1.00 17.23 N ATOM 97 CA VAL X 13 0.739 22.348 13.489 1.00 16.89 C ATOM 98 C VAL X 13 1.357 23.302 12.474 1.00 20.00 C ATOM 99 O VAL X 13 2.484 23.090 12.043 1.00 17.82 O ATOM 100 CB VAL X 13 1.315 22.646 14.879 1.00 20.22 C ATOM 101 CG1 VAL X 13 1.346 24.171 15.133 1.00 16.44 C ATOM 102 CG2 VAL X 13 0.494 21.924 15.941 1.00 22.65 C ATOM 0 H VAL X 13 1.472 20.509 13.647 1.00 17.23 H new ATOM 0 HA VAL X 13 -0.222 22.478 13.515 1.00 16.89 H new ATOM 0 HB VAL X 13 2.228 22.321 14.925 1.00 20.22 H new ATOM 0 HG11 VAL X 13 1.712 24.345 16.014 1.00 16.44 H new ATOM 0 HG12 VAL X 13 1.901 24.600 14.463 1.00 16.44 H new ATOM 0 HG13 VAL X 13 0.445 24.526 15.082 1.00 16.44 H new ATOM 0 HG21 VAL X 13 0.861 22.114 16.819 1.00 22.65 H new ATOM 0 HG22 VAL X 13 -0.426 22.229 15.902 1.00 22.65 H new ATOM 0 HG23 VAL X 13 0.524 20.968 15.779 1.00 22.65 H new ATOM 103 N ILE X 14 0.618 24.328 12.042 1.00 19.35 N ATOM 104 CA ILE X 14 1.246 25.351 11.205 1.00 18.44 C ATOM 105 C ILE X 14 1.190 26.745 11.844 1.00 21.00 C ATOM 106 O ILE X 14 1.857 27.673 11.383 1.00 18.86 O ATOM 107 CB ILE X 14 0.613 25.410 9.775 1.00 17.89 C ATOM 108 CG1 ILE X 14 -0.870 25.785 9.852 1.00 18.25 C ATOM 109 CG2 ILE X 14 0.749 24.067 9.070 1.00 16.29 C ATOM 110 CD1 ILE X 14 -1.494 26.055 8.474 1.00 19.61 C ATOM 0 H ILE X 14 -0.216 24.448 12.214 1.00 19.35 H new ATOM 0 HA ILE X 14 2.176 25.087 11.125 1.00 18.44 H new ATOM 0 HB ILE X 14 1.090 26.088 9.271 1.00 17.89 H new ATOM 0 HG12 ILE X 14 -1.357 25.068 10.287 1.00 18.25 H new ATOM 0 HG13 ILE X 14 -0.970 26.574 10.407 1.00 18.25 H new ATOM 0 HG21 ILE X 14 0.352 24.123 8.187 1.00 16.29 H new ATOM 0 HG22 ILE X 14 1.688 23.838 8.988 1.00 16.29 H new ATOM 0 HG23 ILE X 14 0.294 23.383 9.586 1.00 16.29 H new ATOM 0 HD11 ILE X 14 -2.430 26.287 8.582 1.00 19.61 H new ATOM 0 HD12 ILE X 14 -1.027 26.789 8.045 1.00 19.61 H new ATOM 0 HD13 ILE X 14 -1.420 25.260 7.924 1.00 19.61 H new ATOM 111 N GLY X 15 0.421 26.907 12.911 1.00 17.96 N ATOM 112 CA GLY X 15 0.267 28.242 13.472 1.00 21.90 C ATOM 113 C GLY X 15 -0.226 28.242 14.901 1.00 22.20 C ATOM 114 O GLY X 15 -0.797 27.253 15.364 1.00 16.43 O ATOM 0 H GLY X 15 -0.008 26.281 13.315 1.00 17.96 H new ATOM 0 HA2 GLY X 15 1.120 28.702 13.432 1.00 21.90 H new ATOM 0 HA3 GLY X 15 -0.354 28.746 12.923 1.00 21.90 H new ATOM 115 N PHE X 16 0.028 29.335 15.612 1.00 18.55 N ATOM 116 CA PHE X 16 -0.506 29.516 16.967 1.00 20.08 C ATOM 117 C PHE X 16 -0.679 30.995 17.226 1.00 24.66 C ATOM 118 O PHE X 16 0.293 31.745 17.150 1.00 22.67 O ATOM 119 CB PHE X 16 0.421 28.906 18.020 1.00 20.13 C ATOM 120 CG PHE X 16 -0.098 29.034 19.437 1.00 25.12 C ATOM 121 CD1 PHE X 16 -1.194 28.283 19.853 1.00 24.63 C ATOM 122 CD2 PHE X 16 0.492 29.912 20.339 1.00 31.39 C ATOM 123 CE1 PHE X 16 -1.681 28.394 21.156 1.00 28.38 C ATOM 124 CE2 PHE X 16 0.009 30.027 21.638 1.00 35.33 C ATOM 125 CZ PHE X 16 -1.080 29.262 22.044 1.00 30.33 C ATOM 0 H PHE X 16 0.510 29.989 15.330 1.00 18.55 H new ATOM 0 HA PHE X 16 -1.360 29.060 17.030 1.00 20.08 H new ATOM 0 HB2 PHE X 16 0.554 27.967 17.817 1.00 20.13 H new ATOM 0 HB3 PHE X 16 1.289 29.335 17.962 1.00 20.13 H new ATOM 0 HD1 PHE X 16 -1.606 27.701 19.256 1.00 24.63 H new ATOM 0 HD2 PHE X 16 1.218 30.428 20.071 1.00 31.39 H new ATOM 0 HE1 PHE X 16 -2.410 27.883 21.425 1.00 28.38 H new ATOM 0 HE2 PHE X 16 0.413 30.615 22.235 1.00 35.33 H new ATOM 0 HZ PHE X 16 -1.402 29.336 22.913 1.00 30.33 H new ATOM 126 N GLU X 17 -1.907 31.399 17.539 1.00 22.34 N ATOM 127 CA GLU X 17 -2.215 32.793 17.859 1.00 24.66 C ATOM 128 C GLU X 17 -1.606 33.772 16.862 1.00 26.86 C ATOM 129 O GLU X 17 -0.881 34.695 17.237 1.00 24.64 O ATOM 130 CB GLU X 17 -1.765 33.112 19.281 1.00 29.74 C ATOM 131 CG GLU X 17 -2.735 32.528 20.295 1.00 31.95 C ATOM 132 CD GLU X 17 -2.321 32.771 21.724 1.00 39.07 C ATOM 133 OE1 GLU X 17 -1.251 33.367 21.946 1.00 41.51 O ATOM 134 OE2 GLU X 17 -3.070 32.345 22.623 1.00 42.91 O ATOM 0 H GLU X 17 -2.587 30.873 17.572 1.00 22.34 H new ATOM 0 HA GLU X 17 -3.177 32.901 17.796 1.00 24.66 H new ATOM 0 HB2 GLU X 17 -0.877 32.753 19.432 1.00 29.74 H new ATOM 0 HB3 GLU X 17 -1.706 34.073 19.399 1.00 29.74 H new ATOM 0 HG2 GLU X 17 -3.614 32.911 20.150 1.00 31.95 H new ATOM 0 HG3 GLU X 17 -2.813 31.573 20.145 1.00 31.95 H new ATOM 135 N ASN X 18 -1.928 33.532 15.598 1.00 23.42 N ATOM 136 CA ASN X 18 -1.552 34.372 14.456 1.00 29.42 C ATOM 137 C ASN X 18 -0.070 34.439 14.182 1.00 33.51 C ATOM 138 O ASN X 18 0.403 35.387 13.552 1.00 33.32 O ATOM 139 CB ASN X 18 -2.079 35.803 14.643 1.00 31.41 C ATOM 140 CG ASN X 18 -3.575 35.905 14.446 1.00 36.18 C ATOM 141 OD1 ASN X 18 -4.212 34.984 13.922 1.00 37.09 O ATOM 142 ND2 ASN X 18 -4.149 37.036 14.859 1.00 36.67 N ATOM 0 H ASN X 18 -2.392 32.846 15.367 1.00 23.42 H new ATOM 0 HA ASN X 18 -1.961 33.942 13.689 1.00 29.42 H new ATOM 0 HB2 ASN X 18 -1.852 36.113 15.534 1.00 31.41 H new ATOM 0 HB3 ASN X 18 -1.633 36.392 14.015 1.00 31.41 H new ATOM 0 HD21 ASN X 18 -4.997 37.147 14.765 1.00 36.67 H new ATOM 0 HD22 ASN X 18 -3.671 37.654 15.219 1.00 36.67 H new ATOM 143 N GLN X 19 0.672 33.448 14.662 1.00 28.08 N ATOM 144 CA GLN X 19 2.121 33.445 14.491 1.00 29.93 C ATOM 145 C GLN X 19 2.601 32.089 14.009 1.00 30.19 C ATOM 146 O GLN X 19 1.931 31.086 14.226 1.00 26.33 O ATOM 147 CB GLN X 19 2.832 33.774 15.805 1.00 34.97 C ATOM 148 CG GLN X 19 2.393 35.049 16.467 1.00 36.57 C ATOM 149 CD GLN X 19 3.222 36.217 16.034 1.00 43.84 C ATOM 150 OE1 GLN X 19 3.604 36.326 14.864 1.00 46.79 O ATOM 151 NE2 GLN X 19 3.527 37.102 16.978 1.00 58.73 N ATOM 0 H GLN X 19 0.358 32.770 15.088 1.00 28.08 H new ATOM 0 HA GLN X 19 2.333 34.123 13.831 1.00 29.93 H new ATOM 0 HB2 GLN X 19 2.693 33.040 16.424 1.00 34.97 H new ATOM 0 HB3 GLN X 19 3.786 33.826 15.636 1.00 34.97 H new ATOM 0 HG2 GLN X 19 1.461 35.218 16.256 1.00 36.57 H new ATOM 0 HG3 GLN X 19 2.452 34.950 17.430 1.00 36.57 H new ATOM 0 HE21 GLN X 19 3.241 36.990 17.781 1.00 58.73 H new ATOM 0 HE22 GLN X 19 4.010 37.787 16.785 1.00 58.73 H new ATOM 152 N LEU X 20 3.763 32.065 13.369 1.00 28.09 N ATOM 153 CA LEU X 20 4.488 30.818 13.195 1.00 25.43 C ATOM 154 C LEU X 20 5.033 30.434 14.559 1.00 27.80 C ATOM 155 O LEU X 20 5.635 31.267 15.219 1.00 29.39 O ATOM 156 CB LEU X 20 5.636 30.986 12.196 1.00 24.25 C ATOM 157 CG LEU X 20 5.272 31.574 10.836 1.00 24.02 C ATOM 158 CD1 LEU X 20 6.551 31.793 10.015 1.00 20.74 C ATOM 159 CD2 LEU X 20 4.292 30.644 10.107 1.00 19.10 C ATOM 0 H LEU X 20 4.146 32.756 13.030 1.00 28.09 H new ATOM 0 HA LEU X 20 3.901 30.130 12.843 1.00 25.43 H new ATOM 0 HB2 LEU X 20 6.311 31.553 12.601 1.00 24.25 H new ATOM 0 HB3 LEU X 20 6.043 30.118 12.052 1.00 24.25 H new ATOM 0 HG LEU X 20 4.834 32.431 10.955 1.00 24.02 H new ATOM 0 HD11 LEU X 20 6.321 32.167 9.150 1.00 20.74 H new ATOM 0 HD12 LEU X 20 7.137 32.406 10.486 1.00 20.74 H new ATOM 0 HD13 LEU X 20 7.004 30.945 9.890 1.00 20.74 H new ATOM 0 HD21 LEU X 20 4.066 31.025 9.244 1.00 19.10 H new ATOM 0 HD22 LEU X 20 4.704 29.775 9.979 1.00 19.10 H new ATOM 0 HD23 LEU X 20 3.486 30.544 10.637 1.00 19.10 H new ATOM 160 N PRO X 21 4.836 29.177 14.989 1.00 27.07 N ATOM 161 CA PRO X 21 5.274 28.759 16.335 1.00 21.60 C ATOM 162 C PRO X 21 6.786 28.688 16.529 1.00 29.83 C ATOM 163 O PRO X 21 7.256 28.701 17.664 1.00 29.62 O ATOM 164 CB PRO X 21 4.665 27.361 16.477 1.00 20.84 C ATOM 165 CG PRO X 21 3.538 27.331 15.487 1.00 24.86 C ATOM 166 CD PRO X 21 4.032 28.138 14.323 1.00 25.74 C ATOM 0 HA PRO X 21 4.990 29.407 16.998 1.00 21.60 H new ATOM 0 HB2 PRO X 21 5.319 26.671 16.286 1.00 20.84 H new ATOM 0 HB3 PRO X 21 4.345 27.207 17.380 1.00 20.84 H new ATOM 0 HG2 PRO X 21 3.326 26.422 15.221 1.00 24.86 H new ATOM 0 HG3 PRO X 21 2.729 27.713 15.862 1.00 24.86 H new ATOM 0 HD2 PRO X 21 4.563 27.605 13.711 1.00 25.74 H new ATOM 0 HD3 PRO X 21 3.302 28.518 13.809 1.00 25.74 H new ATOM 167 N TRP X 22 7.528 28.588 15.434 1.00 25.52 N ATOM 168 CA TRP X 22 8.972 28.397 15.452 1.00 24.55 C ATOM 169 C TRP X 22 9.669 29.527 14.706 1.00 28.72 C ATOM 170 O TRP X 22 9.040 30.250 13.939 1.00 23.72 O ATOM 171 CB TRP X 22 9.341 27.071 14.801 1.00 26.49 C ATOM 172 CG TRP X 22 8.629 26.935 13.499 1.00 26.50 C ATOM 173 CD1 TRP X 22 8.957 27.547 12.309 1.00 24.49 C ATOM 174 CD2 TRP X 22 7.442 26.180 13.247 1.00 23.57 C ATOM 175 NE1 TRP X 22 8.042 27.216 11.341 1.00 22.50 N ATOM 176 CE2 TRP X 22 7.101 26.378 11.889 1.00 21.99 C ATOM 177 CE3 TRP X 22 6.630 25.352 14.038 1.00 18.59 C ATOM 178 CZ2 TRP X 22 5.989 25.770 11.302 1.00 23.56 C ATOM 179 CZ3 TRP X 22 5.530 24.757 13.454 1.00 23.23 C ATOM 180 CH2 TRP X 22 5.217 24.968 12.101 1.00 22.33 C ATOM 0 H TRP X 22 7.198 28.630 14.641 1.00 25.52 H new ATOM 0 HA TRP X 22 9.262 28.395 16.378 1.00 24.55 H new ATOM 0 HB2 TRP X 22 10.300 27.025 14.662 1.00 26.49 H new ATOM 0 HB3 TRP X 22 9.104 26.336 15.388 1.00 26.49 H new ATOM 0 HD1 TRP X 22 9.691 28.103 12.180 1.00 24.49 H new ATOM 0 HE1 TRP X 22 8.055 27.488 10.525 1.00 22.50 H new ATOM 0 HE3 TRP X 22 6.829 25.208 14.935 1.00 18.59 H new ATOM 0 HZ2 TRP X 22 5.781 25.904 10.406 1.00 23.56 H new ATOM 0 HZ3 TRP X 22 4.985 24.205 13.967 1.00 23.23 H new ATOM 0 HH2 TRP X 22 4.468 24.553 11.739 1.00 22.33 H new ATOM 181 N HIS X 23 10.976 29.640 14.917 1.00 30.25 N ATOM 182 CA HIS X 23 11.814 30.618 14.225 1.00 30.71 C ATOM 183 C HIS X 23 12.846 29.879 13.396 1.00 33.89 C ATOM 184 O HIS X 23 13.804 29.314 13.940 1.00 29.23 O ATOM 185 CB HIS X 23 12.519 31.545 15.213 1.00 31.06 C ATOM 186 CG HIS X 23 11.589 32.330 16.088 1.00 40.79 C ATOM 187 ND1 HIS X 23 11.029 33.528 15.695 1.00 57.80 N ATOM 188 CD2 HIS X 23 11.134 32.095 17.342 1.00 43.36 C ATOM 189 CE1 HIS X 23 10.265 33.995 16.667 1.00 50.21 C ATOM 190 NE2 HIS X 23 10.313 33.145 17.679 1.00 49.82 N ATOM 0 H HIS X 23 11.408 29.146 15.473 1.00 30.25 H new ATOM 0 HA HIS X 23 11.249 31.163 13.656 1.00 30.71 H new ATOM 0 HB2 HIS X 23 13.107 31.016 15.775 1.00 31.06 H new ATOM 0 HB3 HIS X 23 13.080 32.162 14.718 1.00 31.06 H new ATOM 0 HD2 HIS X 23 11.339 31.361 17.875 1.00 43.36 H new ATOM 0 HE1 HIS X 23 9.777 34.786 16.643 1.00 50.21 H new ATOM 0 HE2 HIS X 23 9.898 33.235 18.427 1.00 49.82 H new ATOM 191 N LEU X 24 12.657 29.879 12.083 1.00 23.53 N ATOM 192 CA LEU X 24 13.521 29.095 11.214 1.00 21.86 C ATOM 193 C LEU X 24 13.877 29.869 9.951 1.00 22.70 C ATOM 194 O LEU X 24 13.232 29.712 8.913 1.00 22.43 O ATOM 195 CB LEU X 24 12.828 27.786 10.849 1.00 24.64 C ATOM 196 CG LEU X 24 13.723 26.602 10.530 1.00 34.01 C ATOM 197 CD1 LEU X 24 14.822 26.485 11.583 1.00 31.52 C ATOM 198 CD2 LEU X 24 12.861 25.355 10.494 1.00 28.52 C ATOM 0 H LEU X 24 12.040 30.322 11.679 1.00 23.53 H new ATOM 0 HA LEU X 24 14.344 28.904 11.690 1.00 21.86 H new ATOM 0 HB2 LEU X 24 12.247 27.536 11.585 1.00 24.64 H new ATOM 0 HB3 LEU X 24 12.258 27.950 10.081 1.00 24.64 H new ATOM 0 HG LEU X 24 14.154 26.719 9.669 1.00 34.01 H new ATOM 0 HD11 LEU X 24 15.391 25.727 11.375 1.00 31.52 H new ATOM 0 HD12 LEU X 24 15.354 27.296 11.588 1.00 31.52 H new ATOM 0 HD13 LEU X 24 14.421 26.357 12.457 1.00 31.52 H new ATOM 0 HD21 LEU X 24 13.414 24.585 10.291 1.00 28.52 H new ATOM 0 HD22 LEU X 24 12.437 25.230 11.357 1.00 28.52 H new ATOM 0 HD23 LEU X 24 12.180 25.452 9.810 1.00 28.52 H new ATOM 199 N PRO X 25 14.906 30.723 10.033 1.00 25.83 N ATOM 200 CA PRO X 25 15.332 31.524 8.880 1.00 25.93 C ATOM 201 C PRO X 25 15.588 30.692 7.618 1.00 20.75 C ATOM 202 O PRO X 25 15.315 31.177 6.521 1.00 27.68 O ATOM 203 CB PRO X 25 16.631 32.178 9.378 1.00 26.70 C ATOM 204 CG PRO X 25 16.439 32.280 10.850 1.00 29.56 C ATOM 205 CD PRO X 25 15.694 31.032 11.242 1.00 26.75 C ATOM 0 HA PRO X 25 14.647 32.154 8.608 1.00 25.93 H new ATOM 0 HB2 PRO X 25 17.407 31.640 9.157 1.00 26.70 H new ATOM 0 HB3 PRO X 25 16.767 33.050 8.976 1.00 26.70 H new ATOM 0 HG2 PRO X 25 17.291 32.338 11.311 1.00 29.56 H new ATOM 0 HG3 PRO X 25 15.935 33.076 11.083 1.00 29.56 H new ATOM 0 HD2 PRO X 25 16.299 30.309 11.471 1.00 26.75 H new ATOM 0 HD3 PRO X 25 15.125 31.181 12.013 1.00 26.75 H new ATOM 206 N ASN X 26 16.082 29.461 7.762 1.00 25.80 N ATOM 207 CA ASN X 26 16.305 28.589 6.603 1.00 26.04 C ATOM 208 C ASN X 26 15.023 28.368 5.823 1.00 25.55 C ATOM 209 O ASN X 26 15.039 28.263 4.597 1.00 22.51 O ATOM 210 CB ASN X 26 16.857 27.215 7.018 1.00 24.52 C ATOM 211 CG ASN X 26 18.330 27.258 7.386 1.00 38.87 C ATOM 212 OD1 ASN X 26 18.973 28.298 7.281 1.00 37.43 O ATOM 213 ND2 ASN X 26 18.860 26.129 7.856 1.00 36.72 N ATOM 0 H ASN X 26 16.294 29.112 8.519 1.00 25.80 H new ATOM 0 HA ASN X 26 16.957 29.043 6.046 1.00 26.04 H new ATOM 0 HB2 ASN X 26 16.349 26.882 7.774 1.00 24.52 H new ATOM 0 HB3 ASN X 26 16.728 26.586 6.291 1.00 24.52 H new ATOM 0 HD21 ASN X 26 19.684 26.110 8.100 1.00 36.72 H new ATOM 0 HD22 ASN X 26 18.378 25.419 7.915 1.00 36.72 H new ATOM 214 N ASP X 27 13.912 28.265 6.543 1.00 21.25 N ATOM 215 CA ASP X 27 12.642 28.001 5.879 1.00 19.44 C ATOM 216 C ASP X 27 12.139 29.280 5.220 1.00 19.40 C ATOM 217 O ASP X 27 11.573 29.230 4.143 1.00 21.40 O ATOM 218 CB ASP X 27 11.605 27.440 6.861 1.00 21.79 C ATOM 219 CG ASP X 27 10.251 27.255 6.216 1.00 20.40 C ATOM 220 OD1 ASP X 27 10.124 26.421 5.288 1.00 18.85 O ATOM 221 OD2 ASP X 27 9.317 27.969 6.627 1.00 21.64 O ATOM 0 H ASP X 27 13.871 28.343 7.398 1.00 21.25 H new ATOM 0 HA ASP X 27 12.780 27.327 5.196 1.00 19.44 H new ATOM 0 HB2 ASP X 27 11.916 26.589 7.206 1.00 21.79 H new ATOM 0 HB3 ASP X 27 11.521 28.040 7.619 1.00 21.79 H new ATOM 222 N LEU X 28 12.356 30.429 5.849 1.00 20.25 N ATOM 223 CA LEU X 28 11.968 31.668 5.183 1.00 21.60 C ATOM 224 C LEU X 28 12.728 31.804 3.855 1.00 21.45 C ATOM 225 O LEU X 28 12.163 32.249 2.853 1.00 23.05 O ATOM 226 CB LEU X 28 12.232 32.886 6.074 1.00 24.28 C ATOM 227 CG LEU X 28 11.687 32.887 7.509 1.00 35.74 C ATOM 228 CD1 LEU X 28 11.888 34.263 8.150 1.00 33.58 C ATOM 229 CD2 LEU X 28 10.219 32.452 7.586 1.00 25.74 C ATOM 0 H LEU X 28 12.711 30.515 6.628 1.00 20.25 H new ATOM 0 HA LEU X 28 11.015 31.633 5.006 1.00 21.60 H new ATOM 0 HB2 LEU X 28 13.193 33.009 6.125 1.00 24.28 H new ATOM 0 HB3 LEU X 28 11.870 33.664 5.622 1.00 24.28 H new ATOM 0 HG LEU X 28 12.193 32.228 8.009 1.00 35.74 H new ATOM 0 HD11 LEU X 28 11.540 34.252 9.056 1.00 33.58 H new ATOM 0 HD12 LEU X 28 12.834 34.476 8.170 1.00 33.58 H new ATOM 0 HD13 LEU X 28 11.417 34.934 7.631 1.00 33.58 H new ATOM 0 HD21 LEU X 28 9.924 32.470 8.510 1.00 25.74 H new ATOM 0 HD22 LEU X 28 9.674 33.059 7.061 1.00 25.74 H new ATOM 0 HD23 LEU X 28 10.129 31.552 7.235 1.00 25.74 H new ATOM 230 N LYS X 29 14.003 31.412 3.837 1.00 23.48 N ATOM 231 CA LYS X 29 14.778 31.485 2.596 1.00 23.41 C ATOM 232 C LYS X 29 14.250 30.527 1.535 1.00 22.78 C ATOM 233 O LYS X 29 14.206 30.838 0.351 1.00 24.75 O ATOM 234 CB LYS X 29 16.253 31.191 2.868 1.00 27.98 C ATOM 235 CG LYS X 29 16.965 32.309 3.599 1.00 42.19 C ATOM 236 CD LYS X 29 18.483 32.134 3.554 1.00 48.16 C ATOM 237 CE LYS X 29 19.183 33.274 4.295 1.00 52.61 C ATOM 238 NZ LYS X 29 18.821 33.339 5.753 1.00 48.10 N ATOM 0 H LYS X 29 14.431 31.107 4.517 1.00 23.48 H new ATOM 0 HA LYS X 29 14.685 32.388 2.255 1.00 23.41 H new ATOM 0 HB2 LYS X 29 16.322 30.377 3.390 1.00 27.98 H new ATOM 0 HB3 LYS X 29 16.704 31.027 2.025 1.00 27.98 H new ATOM 0 HG2 LYS X 29 16.725 33.161 3.202 1.00 42.19 H new ATOM 0 HG3 LYS X 29 16.669 32.333 4.522 1.00 42.19 H new ATOM 0 HD2 LYS X 29 18.727 31.285 3.954 1.00 48.16 H new ATOM 0 HD3 LYS X 29 18.783 32.110 2.632 1.00 48.16 H new ATOM 0 HE2 LYS X 29 20.143 33.166 4.210 1.00 52.61 H new ATOM 0 HE3 LYS X 29 18.954 34.116 3.872 1.00 52.61 H new ATOM 0 HZ1 LYS X 29 19.375 33.895 6.172 1.00 48.10 H new ATOM 0 HZ2 LYS X 29 17.985 33.633 5.839 1.00 48.10 H new ATOM 0 HZ3 LYS X 29 18.888 32.528 6.112 1.00 48.10 H new ATOM 239 N HIS X 30 13.863 29.346 1.984 1.00 23.43 N ATOM 240 CA HIS X 30 13.223 28.332 1.157 1.00 22.11 C ATOM 241 C HIS X 30 11.978 28.895 0.454 1.00 21.18 C ATOM 242 O HIS X 30 11.785 28.729 -0.758 1.00 24.82 O ATOM 243 CB HIS X 30 12.876 27.149 2.062 1.00 22.13 C ATOM 244 CG HIS X 30 12.218 26.000 1.364 1.00 23.25 C ATOM 245 ND1 HIS X 30 12.870 25.221 0.434 1.00 23.00 N ATOM 246 CD2 HIS X 30 10.980 25.476 1.496 1.00 21.94 C ATOM 247 CE1 HIS X 30 12.054 24.275 0.007 1.00 24.69 C ATOM 248 NE2 HIS X 30 10.897 24.409 0.638 1.00 25.36 N ATOM 0 H HIS X 30 13.967 29.102 2.802 1.00 23.43 H new ATOM 0 HA HIS X 30 13.823 28.042 0.452 1.00 22.11 H new ATOM 0 HB2 HIS X 30 13.689 26.832 2.485 1.00 22.13 H new ATOM 0 HB3 HIS X 30 12.290 27.460 2.770 1.00 22.13 H new ATOM 0 HD1 HIS X 30 13.682 25.333 0.172 1.00 23.00 H new ATOM 0 HD2 HIS X 30 10.309 25.782 2.063 1.00 21.94 H new ATOM 0 HE1 HIS X 30 12.257 23.626 -0.628 1.00 24.69 H new ATOM 249 N VAL X 31 11.140 29.581 1.219 1.00 18.61 N ATOM 250 CA VAL X 31 9.933 30.194 0.671 1.00 18.61 C ATOM 251 C VAL X 31 10.286 31.282 -0.330 1.00 21.72 C ATOM 252 O VAL X 31 9.686 31.345 -1.399 1.00 25.87 O ATOM 253 CB VAL X 31 9.057 30.782 1.775 1.00 17.77 C ATOM 254 CG1 VAL X 31 7.989 31.703 1.194 1.00 22.66 C ATOM 255 CG2 VAL X 31 8.408 29.646 2.543 1.00 17.97 C ATOM 0 H VAL X 31 11.251 29.705 2.063 1.00 18.61 H new ATOM 0 HA VAL X 31 9.435 29.495 0.220 1.00 18.61 H new ATOM 0 HB VAL X 31 9.610 31.311 2.371 1.00 17.77 H new ATOM 0 HG11 VAL X 31 7.446 32.063 1.913 1.00 22.66 H new ATOM 0 HG12 VAL X 31 8.415 32.431 0.715 1.00 22.66 H new ATOM 0 HG13 VAL X 31 7.425 31.201 0.585 1.00 22.66 H new ATOM 0 HG21 VAL X 31 7.849 30.009 3.247 1.00 17.97 H new ATOM 0 HG22 VAL X 31 7.864 29.116 1.939 1.00 17.97 H new ATOM 0 HG23 VAL X 31 9.096 29.085 2.934 1.00 17.97 H new ATOM 256 N LYS X 32 11.271 32.109 0.014 1.00 24.75 N ATOM 257 CA LYS X 32 11.749 33.165 -0.886 1.00 22.87 C ATOM 258 C LYS X 32 12.247 32.591 -2.215 1.00 26.94 C ATOM 259 O LYS X 32 11.884 33.081 -3.284 1.00 24.89 O ATOM 260 CB LYS X 32 12.865 33.977 -0.218 1.00 25.38 C ATOM 261 CG LYS X 32 13.381 35.153 -1.065 1.00 23.22 C ATOM 262 CD LYS X 32 14.432 35.936 -0.308 1.00 32.73 C ATOM 263 CE LYS X 32 14.949 37.105 -1.142 1.00 44.29 C ATOM 264 NZ LYS X 32 16.022 37.849 -0.425 1.00 43.36 N ATOM 0 H LYS X 32 11.680 32.077 0.770 1.00 24.75 H new ATOM 0 HA LYS X 32 10.997 33.749 -1.073 1.00 22.87 H new ATOM 0 HB2 LYS X 32 12.539 34.320 0.629 1.00 25.38 H new ATOM 0 HB3 LYS X 32 13.607 33.385 -0.018 1.00 25.38 H new ATOM 0 HG2 LYS X 32 13.755 34.820 -1.896 1.00 23.22 H new ATOM 0 HG3 LYS X 32 12.643 35.737 -1.300 1.00 23.22 H new ATOM 0 HD2 LYS X 32 14.057 36.268 0.523 1.00 32.73 H new ATOM 0 HD3 LYS X 32 15.169 35.351 -0.073 1.00 32.73 H new ATOM 0 HE2 LYS X 32 15.291 36.775 -1.988 1.00 44.29 H new ATOM 0 HE3 LYS X 32 14.217 37.707 -1.347 1.00 44.29 H new ATOM 0 HZ1 LYS X 32 16.305 38.524 -0.932 1.00 43.36 H new ATOM 0 HZ2 LYS X 32 15.701 38.168 0.341 1.00 43.36 H new ATOM 0 HZ3 LYS X 32 16.702 37.300 -0.256 1.00 43.36 H new ATOM 265 N LYS X 33 13.055 31.536 -2.147 1.00 24.54 N ATOM 266 CA LYS X 33 13.573 30.887 -3.356 1.00 22.37 C ATOM 267 C LYS X 33 12.485 30.295 -4.231 1.00 31.62 C ATOM 268 O LYS X 33 12.496 30.449 -5.457 1.00 28.54 O ATOM 269 CB LYS X 33 14.557 29.769 -2.999 1.00 34.85 C ATOM 270 CG LYS X 33 15.891 30.219 -2.432 1.00 44.02 C ATOM 271 CD LYS X 33 16.735 29.005 -2.003 1.00 50.78 C ATOM 272 CE LYS X 33 17.799 29.366 -0.959 1.00 48.16 C ATOM 273 NZ LYS X 33 19.025 29.957 -1.569 1.00 50.53 N ATOM 0 H LYS X 33 13.317 31.178 -1.410 1.00 24.54 H new ATOM 0 HA LYS X 33 14.017 31.590 -3.855 1.00 22.37 H new ATOM 0 HB2 LYS X 33 14.133 29.181 -2.355 1.00 34.85 H new ATOM 0 HB3 LYS X 33 14.725 29.242 -3.796 1.00 34.85 H new ATOM 0 HG2 LYS X 33 16.373 30.736 -3.097 1.00 44.02 H new ATOM 0 HG3 LYS X 33 15.744 30.802 -1.671 1.00 44.02 H new ATOM 0 HD2 LYS X 33 16.151 28.321 -1.641 1.00 50.78 H new ATOM 0 HD3 LYS X 33 17.168 28.624 -2.783 1.00 50.78 H new ATOM 0 HE2 LYS X 33 17.423 29.995 -0.323 1.00 48.16 H new ATOM 0 HE3 LYS X 33 18.041 28.570 -0.461 1.00 48.16 H new ATOM 0 HZ1 LYS X 33 19.612 30.150 -0.929 1.00 50.53 H new ATOM 0 HZ2 LYS X 33 19.386 29.373 -2.136 1.00 50.53 H new ATOM 0 HZ3 LYS X 33 18.810 30.701 -2.007 1.00 50.53 H new ATOM 274 N LEU X 34 11.558 29.574 -3.616 1.00 24.02 N ATOM 275 CA LEU X 34 10.545 28.884 -4.392 1.00 24.97 C ATOM 276 C LEU X 34 9.547 29.841 -5.032 1.00 27.80 C ATOM 277 O LEU X 34 9.143 29.624 -6.173 1.00 23.69 O ATOM 278 CB LEU X 34 9.785 27.875 -3.524 1.00 26.17 C ATOM 279 CG LEU X 34 10.421 26.496 -3.369 1.00 22.61 C ATOM 280 CD1 LEU X 34 9.709 25.707 -2.287 1.00 20.74 C ATOM 281 CD2 LEU X 34 10.330 25.771 -4.676 1.00 27.69 C ATOM 0 H LEU X 34 11.499 29.473 -2.764 1.00 24.02 H new ATOM 0 HA LEU X 34 11.016 28.420 -5.102 1.00 24.97 H new ATOM 0 HB2 LEU X 34 9.672 28.259 -2.640 1.00 26.17 H new ATOM 0 HB3 LEU X 34 8.898 27.760 -3.898 1.00 26.17 H new ATOM 0 HG LEU X 34 11.351 26.595 -3.113 1.00 22.61 H new ATOM 0 HD11 LEU X 34 10.122 24.834 -2.198 1.00 20.74 H new ATOM 0 HD12 LEU X 34 9.774 26.182 -1.444 1.00 20.74 H new ATOM 0 HD13 LEU X 34 8.775 25.600 -2.526 1.00 20.74 H new ATOM 0 HD21 LEU X 34 10.732 24.893 -4.588 1.00 27.69 H new ATOM 0 HD22 LEU X 34 9.399 25.676 -4.929 1.00 27.69 H new ATOM 0 HD23 LEU X 34 10.801 26.274 -5.359 1.00 27.69 H new ATOM 282 N SER X 35 9.159 30.896 -4.313 1.00 23.31 N ATOM 283 CA SER X 35 7.999 31.684 -4.731 1.00 24.10 C ATOM 284 C SER X 35 8.305 33.053 -5.348 1.00 23.29 C ATOM 285 O SER X 35 7.406 33.672 -5.900 1.00 24.67 O ATOM 286 CB SER X 35 7.025 31.869 -3.545 1.00 22.72 C ATOM 287 OG SER X 35 7.609 32.595 -2.472 1.00 23.62 O ATOM 0 H SER X 35 9.545 31.168 -3.594 1.00 23.31 H new ATOM 0 HA SER X 35 7.601 31.163 -5.446 1.00 24.10 H new ATOM 0 HB2 SER X 35 6.231 32.333 -3.852 1.00 22.72 H new ATOM 0 HB3 SER X 35 6.739 30.999 -3.226 1.00 22.72 H new ATOM 0 HG SER X 35 8.216 32.134 -2.119 1.00 23.62 H new ATOM 288 N THR X 36 9.547 33.521 -5.274 1.00 28.25 N ATOM 289 CA THR X 36 9.908 34.778 -5.939 1.00 27.93 C ATOM 290 C THR X 36 9.698 34.630 -7.450 1.00 26.73 C ATOM 291 O THR X 36 10.105 33.635 -8.044 1.00 26.36 O ATOM 292 CB THR X 36 11.360 35.190 -5.628 1.00 28.33 C ATOM 293 OG1 THR X 36 11.465 35.535 -4.239 1.00 26.47 O ATOM 294 CG2 THR X 36 11.784 36.393 -6.474 1.00 27.45 C ATOM 0 H THR X 36 10.189 33.136 -4.852 1.00 28.25 H new ATOM 0 HA THR X 36 9.334 35.482 -5.599 1.00 27.93 H new ATOM 0 HB THR X 36 11.942 34.443 -5.838 1.00 28.33 H new ATOM 0 HG1 THR X 36 11.602 34.840 -3.787 1.00 26.47 H new ATOM 0 HG21 THR X 36 12.699 36.633 -6.260 1.00 27.45 H new ATOM 0 HG22 THR X 36 11.721 36.166 -7.415 1.00 27.45 H new ATOM 0 HG23 THR X 36 11.201 37.144 -6.284 1.00 27.45 H new ATOM 295 N GLY X 37 9.005 35.587 -8.069 1.00 27.03 N ATOM 296 CA GLY X 37 8.775 35.515 -9.506 1.00 24.46 C ATOM 297 C GLY X 37 7.538 34.723 -9.862 1.00 28.25 C ATOM 298 O GLY X 37 7.229 34.505 -11.036 1.00 25.44 O ATOM 0 H GLY X 37 8.666 36.275 -7.680 1.00 27.03 H new ATOM 0 HA2 GLY X 37 8.692 36.414 -9.862 1.00 24.46 H new ATOM 0 HA3 GLY X 37 9.547 35.111 -9.933 1.00 24.46 H new ATOM 299 N HIS X 38 6.812 34.274 -8.841 1.00 27.04 N ATOM 300 CA HIS X 38 5.641 33.441 -9.081 1.00 23.69 C ATOM 301 C HIS X 38 4.435 33.988 -8.309 1.00 25.85 C ATOM 302 O HIS X 38 4.369 35.187 -8.063 1.00 27.21 O ATOM 303 CB HIS X 38 5.972 31.991 -8.725 1.00 22.88 C ATOM 304 CG HIS X 38 7.157 31.470 -9.475 1.00 29.88 C ATOM 305 ND1 HIS X 38 7.108 31.181 -10.824 1.00 28.85 N ATOM 306 CD2 HIS X 38 8.431 31.233 -9.084 1.00 30.28 C ATOM 307 CE1 HIS X 38 8.298 30.766 -11.224 1.00 30.56 C ATOM 308 NE2 HIS X 38 9.119 30.790 -10.189 1.00 27.69 N ATOM 0 H HIS X 38 6.978 34.438 -8.013 1.00 27.04 H new ATOM 0 HA HIS X 38 5.398 33.461 -10.020 1.00 23.69 H new ATOM 0 HB2 HIS X 38 6.143 31.926 -7.772 1.00 22.88 H new ATOM 0 HB3 HIS X 38 5.202 31.431 -8.914 1.00 22.88 H new ATOM 0 HD2 HIS X 38 8.776 31.348 -8.228 1.00 30.28 H new ATOM 0 HE1 HIS X 38 8.520 30.502 -12.088 1.00 30.56 H new ATOM 0 HE2 HIS X 38 9.949 30.565 -10.204 1.00 27.69 H new ATOM 309 N THR X 39 3.487 33.133 -7.940 1.00 23.06 N ATOM 310 CA THR X 39 2.268 33.599 -7.271 1.00 23.83 C ATOM 311 C THR X 39 1.987 32.881 -5.950 1.00 26.82 C ATOM 312 O THR X 39 2.080 31.647 -5.885 1.00 21.20 O ATOM 313 CB THR X 39 1.041 33.405 -8.177 1.00 28.55 C ATOM 314 OG1 THR X 39 1.244 34.112 -9.407 1.00 26.91 O ATOM 315 CG2 THR X 39 -0.235 33.910 -7.483 1.00 23.01 C ATOM 0 H THR X 39 3.526 32.283 -8.065 1.00 23.06 H new ATOM 0 HA THR X 39 2.423 34.538 -7.084 1.00 23.83 H new ATOM 0 HB THR X 39 0.931 32.459 -8.359 1.00 28.55 H new ATOM 0 HG1 THR X 39 1.579 33.593 -9.977 1.00 26.91 H new ATOM 0 HG21 THR X 39 -0.996 33.779 -8.070 1.00 23.01 H new ATOM 0 HG22 THR X 39 -0.373 33.416 -6.660 1.00 23.01 H new ATOM 0 HG23 THR X 39 -0.142 34.854 -7.281 1.00 23.01 H new ATOM 316 N LEU X 40 1.644 33.644 -4.909 1.00 22.18 N ATOM 317 CA LEU X 40 1.139 33.060 -3.653 1.00 19.32 C ATOM 318 C LEU X 40 -0.349 33.349 -3.542 1.00 23.60 C ATOM 319 O LEU X 40 -0.766 34.486 -3.757 1.00 23.77 O ATOM 320 CB LEU X 40 1.861 33.634 -2.429 1.00 19.72 C ATOM 321 CG LEU X 40 3.379 33.467 -2.280 1.00 21.14 C ATOM 322 CD1 LEU X 40 3.883 34.196 -1.037 1.00 26.69 C ATOM 323 CD2 LEU X 40 3.709 31.989 -2.215 1.00 20.93 C ATOM 0 H LEU X 40 1.695 34.502 -4.906 1.00 22.18 H new ATOM 0 HA LEU X 40 1.304 32.104 -3.673 1.00 19.32 H new ATOM 0 HB2 LEU X 40 1.672 34.585 -2.404 1.00 19.72 H new ATOM 0 HB3 LEU X 40 1.450 33.242 -1.643 1.00 19.72 H new ATOM 0 HG LEU X 40 3.825 33.859 -3.047 1.00 21.14 H new ATOM 0 HD11 LEU X 40 4.843 34.079 -0.960 1.00 26.69 H new ATOM 0 HD12 LEU X 40 3.678 35.141 -1.110 1.00 26.69 H new ATOM 0 HD13 LEU X 40 3.449 33.832 -0.250 1.00 26.69 H new ATOM 0 HD21 LEU X 40 4.668 31.875 -2.121 1.00 20.93 H new ATOM 0 HD22 LEU X 40 3.260 31.590 -1.453 1.00 20.93 H new ATOM 0 HD23 LEU X 40 3.411 31.555 -3.029 1.00 20.93 H new ATOM 324 N VAL X 41 -1.126 32.321 -3.206 1.00 22.17 N ATOM 325 CA VAL X 41 -2.546 32.446 -2.904 1.00 21.70 C ATOM 326 C VAL X 41 -2.752 32.111 -1.442 1.00 24.36 C ATOM 327 O VAL X 41 -2.304 31.067 -0.969 1.00 19.44 O ATOM 328 CB VAL X 41 -3.416 31.501 -3.755 1.00 23.01 C ATOM 329 CG1 VAL X 41 -4.900 31.591 -3.340 1.00 20.78 C ATOM 330 CG2 VAL X 41 -3.259 31.815 -5.203 1.00 24.03 C ATOM 0 H VAL X 41 -0.833 31.514 -3.147 1.00 22.17 H new ATOM 0 HA VAL X 41 -2.816 33.355 -3.108 1.00 21.70 H new ATOM 0 HB VAL X 41 -3.116 30.592 -3.600 1.00 23.01 H new ATOM 0 HG11 VAL X 41 -5.427 30.989 -3.888 1.00 20.78 H new ATOM 0 HG12 VAL X 41 -4.991 31.341 -2.407 1.00 20.78 H new ATOM 0 HG13 VAL X 41 -5.216 32.500 -3.463 1.00 20.78 H new ATOM 0 HG21 VAL X 41 -3.811 31.214 -5.726 1.00 24.03 H new ATOM 0 HG22 VAL X 41 -3.533 32.731 -5.367 1.00 24.03 H new ATOM 0 HG23 VAL X 41 -2.330 31.705 -5.459 1.00 24.03 H new ATOM 331 N MET X 42 -3.438 32.986 -0.722 1.00 20.36 N ATOM 332 CA MET X 42 -3.651 32.745 0.690 1.00 22.88 C ATOM 333 C MET X 42 -5.023 33.245 1.125 1.00 23.44 C ATOM 334 O MET X 42 -5.624 34.117 0.484 1.00 20.39 O ATOM 335 CB MET X 42 -2.538 33.415 1.505 1.00 20.24 C ATOM 336 CG MET X 42 -2.627 34.933 1.530 1.00 21.21 C ATOM 337 SD MET X 42 -1.110 35.689 2.097 1.00 27.63 S ATOM 338 CE MET X 42 -0.112 35.601 0.596 1.00 28.34 C ATOM 0 H MET X 42 -3.782 33.713 -1.027 1.00 20.36 H new ATOM 0 HA MET X 42 -3.623 31.789 0.852 1.00 22.88 H new ATOM 0 HB2 MET X 42 -2.570 33.082 2.416 1.00 20.24 H new ATOM 0 HB3 MET X 42 -1.678 33.155 1.138 1.00 20.24 H new ATOM 0 HG2 MET X 42 -2.835 35.258 0.640 1.00 21.21 H new ATOM 0 HG3 MET X 42 -3.357 35.203 2.109 1.00 21.21 H new ATOM 0 HE1 MET X 42 0.718 36.084 0.730 1.00 28.34 H new ATOM 0 HE2 MET X 42 0.084 34.673 0.391 1.00 28.34 H new ATOM 0 HE3 MET X 42 -0.601 35.998 -0.142 1.00 28.34 H new ATOM 339 N GLY X 43 -5.521 32.680 2.213 1.00 22.77 N ATOM 340 CA GLY X 43 -6.788 33.116 2.774 1.00 17.41 C ATOM 341 C GLY X 43 -6.583 34.422 3.507 1.00 19.38 C ATOM 342 O GLY X 43 -5.446 34.816 3.804 1.00 19.34 O ATOM 0 H GLY X 43 -5.140 32.040 2.643 1.00 22.77 H new ATOM 0 HA2 GLY X 43 -7.445 33.228 2.069 1.00 17.41 H new ATOM 0 HA3 GLY X 43 -7.134 32.443 3.381 1.00 17.41 H new ATOM 343 N ARG X 44 -7.687 35.095 3.816 1.00 19.97 N ATOM 344 CA ARG X 44 -7.622 36.417 4.419 1.00 19.22 C ATOM 345 C ARG X 44 -6.877 36.424 5.757 1.00 21.70 C ATOM 346 O ARG X 44 -6.116 37.347 6.045 1.00 19.70 O ATOM 347 CB ARG X 44 -9.039 36.973 4.606 1.00 24.53 C ATOM 348 CG ARG X 44 -9.086 38.392 5.179 1.00 25.56 C ATOM 349 CD ARG X 44 -9.325 38.381 6.688 1.00 24.63 C ATOM 350 NE ARG X 44 -10.566 37.680 7.023 1.00 24.40 N ATOM 351 CZ ARG X 44 -10.976 37.430 8.263 1.00 22.93 C ATOM 352 NH1 ARG X 44 -10.245 37.822 9.294 1.00 25.91 N ATOM 353 NH2 ARG X 44 -12.120 36.788 8.467 1.00 23.53 N ATOM 0 H ARG X 44 -8.484 34.801 3.683 1.00 19.97 H new ATOM 0 HA ARG X 44 -7.119 36.983 3.813 1.00 19.22 H new ATOM 0 HB2 ARG X 44 -9.494 36.966 3.749 1.00 24.53 H new ATOM 0 HB3 ARG X 44 -9.533 36.381 5.195 1.00 24.53 H new ATOM 0 HG2 ARG X 44 -8.252 38.848 4.986 1.00 25.56 H new ATOM 0 HG3 ARG X 44 -9.791 38.895 4.743 1.00 25.56 H new ATOM 0 HD2 ARG X 44 -8.578 37.952 7.133 1.00 24.63 H new ATOM 0 HD3 ARG X 44 -9.366 39.292 7.018 1.00 24.63 H new ATOM 0 HE ARG X 44 -11.063 37.412 6.374 1.00 24.40 H new ATOM 0 HH11 ARG X 44 -9.504 38.239 9.162 1.00 25.91 H new ATOM 0 HH12 ARG X 44 -10.511 37.660 10.096 1.00 25.91 H new ATOM 0 HH21 ARG X 44 -12.596 36.534 7.797 1.00 23.53 H new ATOM 0 HH22 ARG X 44 -12.385 36.626 9.269 1.00 23.53 H new ATOM 354 N LYS X 45 -7.089 35.402 6.584 1.00 20.73 N ATOM 355 CA LYS X 45 -6.473 35.417 7.914 1.00 21.51 C ATOM 356 C LYS X 45 -4.954 35.273 7.832 1.00 20.57 C ATOM 357 O LYS X 45 -4.210 35.929 8.576 1.00 23.48 O ATOM 358 CB LYS X 45 -7.074 34.309 8.795 1.00 21.33 C ATOM 359 CG LYS X 45 -8.542 34.516 9.095 1.00 20.63 C ATOM 360 CD LYS X 45 -9.016 33.522 10.131 1.00 23.56 C ATOM 361 CE LYS X 45 -10.452 33.778 10.557 1.00 29.96 C ATOM 362 NZ LYS X 45 -10.897 32.749 11.554 1.00 30.82 N ATOM 0 H LYS X 45 -7.569 34.711 6.405 1.00 20.73 H new ATOM 0 HA LYS X 45 -6.664 36.278 8.319 1.00 21.51 H new ATOM 0 HB2 LYS X 45 -6.958 33.454 8.353 1.00 21.33 H new ATOM 0 HB3 LYS X 45 -6.582 34.266 9.630 1.00 21.33 H new ATOM 0 HG2 LYS X 45 -8.688 35.420 9.416 1.00 20.63 H new ATOM 0 HG3 LYS X 45 -9.061 34.416 8.282 1.00 20.63 H new ATOM 0 HD2 LYS X 45 -8.942 32.624 9.773 1.00 23.56 H new ATOM 0 HD3 LYS X 45 -8.437 33.566 10.908 1.00 23.56 H new ATOM 0 HE2 LYS X 45 -10.527 34.664 10.944 1.00 29.96 H new ATOM 0 HE3 LYS X 45 -11.034 33.757 9.781 1.00 29.96 H new ATOM 0 HZ1 LYS X 45 -11.650 33.019 11.944 1.00 30.82 H new ATOM 0 HZ2 LYS X 45 -11.039 31.975 11.139 1.00 30.82 H new ATOM 0 HZ3 LYS X 45 -10.266 32.642 12.172 1.00 30.82 H new ATOM 363 N THR X 46 -4.491 34.411 6.930 1.00 21.07 N ATOM 364 CA THR X 46 -3.068 34.270 6.718 1.00 17.75 C ATOM 365 C THR X 46 -2.485 35.576 6.257 1.00 21.81 C ATOM 366 O THR X 46 -1.452 36.006 6.772 1.00 24.74 O ATOM 367 CB THR X 46 -2.745 33.178 5.698 1.00 20.67 C ATOM 368 OG1 THR X 46 -3.190 31.926 6.219 1.00 20.29 O ATOM 369 CG2 THR X 46 -1.246 33.072 5.478 1.00 23.25 C ATOM 0 H THR X 46 -4.984 33.906 6.438 1.00 21.07 H new ATOM 0 HA THR X 46 -2.673 34.011 7.566 1.00 17.75 H new ATOM 0 HB THR X 46 -3.183 33.398 4.861 1.00 20.67 H new ATOM 0 HG1 THR X 46 -4.026 31.876 6.152 1.00 20.29 H new ATOM 0 HG21 THR X 46 -1.063 32.375 4.829 1.00 23.25 H new ATOM 0 HG22 THR X 46 -0.907 33.918 5.148 1.00 23.25 H new ATOM 0 HG23 THR X 46 -0.810 32.855 6.317 1.00 23.25 H new ATOM 370 N PHE X 47 -3.140 36.239 5.305 1.00 22.84 N ATOM 371 CA PHE X 47 -2.589 37.508 4.847 1.00 21.41 C ATOM 372 C PHE X 47 -2.445 38.524 5.992 1.00 24.46 C ATOM 373 O PHE X 47 -1.414 39.195 6.123 1.00 24.12 O ATOM 374 CB PHE X 47 -3.421 38.157 3.750 1.00 19.98 C ATOM 375 CG PHE X 47 -2.924 39.530 3.426 1.00 23.17 C ATOM 376 CD1 PHE X 47 -1.745 39.687 2.712 1.00 25.12 C ATOM 377 CD2 PHE X 47 -3.561 40.658 3.922 1.00 28.27 C ATOM 378 CE1 PHE X 47 -1.233 40.955 2.458 1.00 26.40 C ATOM 379 CE2 PHE X 47 -3.059 41.913 3.670 1.00 28.09 C ATOM 380 CZ PHE X 47 -1.896 42.062 2.936 1.00 30.85 C ATOM 0 H PHE X 47 -3.870 35.986 4.928 1.00 22.84 H new ATOM 0 HA PHE X 47 -1.716 37.281 4.491 1.00 21.41 H new ATOM 0 HB2 PHE X 47 -3.394 37.605 2.953 1.00 19.98 H new ATOM 0 HB3 PHE X 47 -4.348 38.205 4.031 1.00 19.98 H new ATOM 0 HD1 PHE X 47 -1.292 38.937 2.400 1.00 25.12 H new ATOM 0 HD2 PHE X 47 -4.335 40.565 4.430 1.00 28.27 H new ATOM 0 HE1 PHE X 47 -0.448 41.054 1.969 1.00 26.40 H new ATOM 0 HE2 PHE X 47 -3.502 42.664 3.994 1.00 28.09 H new ATOM 0 HZ PHE X 47 -1.561 42.913 2.765 1.00 30.85 H new ATOM 381 N AGLU X 48 -3.476 38.633 6.817 0.54 23.50 N ATOM 382 N BGLU X 48 -3.471 38.624 6.828 0.46 23.45 N ATOM 383 CA AGLU X 48 -3.447 39.600 7.907 0.54 24.33 C ATOM 384 CA BGLU X 48 -3.457 39.603 7.911 0.46 24.26 C ATOM 385 C AGLU X 48 -2.392 39.223 8.937 0.54 25.22 C ATOM 386 C BGLU X 48 -2.467 39.210 9.004 0.46 25.19 C ATOM 387 O AGLU X 48 -1.807 40.097 9.576 0.54 26.06 O ATOM 388 O BGLU X 48 -1.999 40.063 9.757 0.46 26.10 O ATOM 389 CB AGLU X 48 -4.824 39.718 8.556 0.54 24.29 C ATOM 390 CB BGLU X 48 -4.865 39.782 8.484 0.46 24.51 C ATOM 391 CG AGLU X 48 -5.854 40.396 7.649 0.54 25.35 C ATOM 392 CG BGLU X 48 -5.827 40.447 7.489 0.46 25.23 C ATOM 393 CD AGLU X 48 -5.484 41.830 7.321 0.54 27.24 C ATOM 394 CD BGLU X 48 -7.201 40.733 8.069 0.46 29.65 C ATOM 395 OE1AGLU X 48 -4.853 42.494 8.174 0.54 27.18 O ATOM 396 OE1BGLU X 48 -7.673 39.962 8.929 0.46 24.31 O ATOM 397 OE2AGLU X 48 -5.818 42.297 6.214 0.54 27.34 O ATOM 398 OE2BGLU X 48 -7.816 41.736 7.652 0.46 28.40 O ATOM 0 H AGLU X 48 -4.195 38.163 6.766 0.54 23.45 H new ATOM 0 H BGLU X 48 -4.180 38.139 6.788 0.46 23.45 H new ATOM 0 HA AGLU X 48 -3.210 40.466 7.540 0.54 24.26 H new ATOM 0 HA BGLU X 48 -3.163 40.452 7.546 0.46 24.26 H new ATOM 0 HB2AGLU X 48 -5.142 38.833 8.793 0.54 24.51 H new ATOM 0 HB2BGLU X 48 -5.218 38.916 8.741 0.46 24.51 H new ATOM 0 HB3AGLU X 48 -4.745 40.222 9.381 0.54 24.51 H new ATOM 0 HB3BGLU X 48 -4.817 40.319 9.290 0.46 24.51 H new ATOM 0 HG2AGLU X 48 -5.938 39.890 6.826 0.54 25.23 H new ATOM 0 HG2BGLU X 48 -5.436 41.279 7.179 0.46 25.23 H new ATOM 0 HG3AGLU X 48 -6.722 40.380 8.082 0.54 25.23 H new ATOM 0 HG3BGLU X 48 -5.925 39.873 6.713 0.46 25.23 H new ATOM 399 N SER X 49 -2.134 37.925 9.082 1.00 23.90 N ATOM 400 CA SER X 49 -1.097 37.473 10.003 1.00 22.75 C ATOM 401 C SER X 49 0.239 37.979 9.518 1.00 23.94 C ATOM 402 O SER X 49 1.078 38.428 10.318 1.00 25.59 O ATOM 403 CB SER X 49 -1.065 35.944 10.120 1.00 24.15 C ATOM 404 OG SER X 49 -2.246 35.465 10.761 1.00 32.34 O ATOM 0 H ASER X 49 -2.544 37.297 8.661 0.54 23.90 H new ATOM 0 H BSER X 49 -2.495 37.301 8.612 0.46 23.90 H new ATOM 0 HA SER X 49 -1.294 37.827 10.885 1.00 22.75 H new ATOM 0 HB2 SER X 49 -0.987 35.549 9.238 1.00 24.15 H new ATOM 0 HB3 SER X 49 -0.283 35.669 10.624 1.00 24.15 H new ATOM 0 HG SER X 49 -2.876 35.439 10.206 1.00 32.34 H new ATOM 405 N ILE X 50 0.449 37.907 8.202 1.00 22.56 N ATOM 406 CA ILE X 50 1.695 38.413 7.626 1.00 26.29 C ATOM 407 C ILE X 50 1.729 39.934 7.737 1.00 26.60 C ATOM 408 O ILE X 50 2.705 40.501 8.216 1.00 30.29 O ATOM 409 CB ILE X 50 1.875 37.995 6.160 1.00 23.56 C ATOM 410 CG1 ILE X 50 1.915 36.470 6.049 1.00 23.79 C ATOM 411 CG2 ILE X 50 3.144 38.594 5.604 1.00 26.29 C ATOM 412 CD1 ILE X 50 1.941 35.965 4.612 1.00 28.16 C ATOM 0 H ILE X 50 -0.106 37.575 7.635 1.00 22.56 H new ATOM 0 HA ILE X 50 2.427 38.023 8.129 1.00 26.29 H new ATOM 0 HB ILE X 50 1.123 38.324 5.644 1.00 23.56 H new ATOM 0 HG12 ILE X 50 2.699 36.140 6.514 1.00 23.79 H new ATOM 0 HG13 ILE X 50 1.140 36.100 6.500 1.00 23.79 H new ATOM 0 HG21 ILE X 50 3.250 38.325 4.678 1.00 26.29 H new ATOM 0 HG22 ILE X 50 3.095 39.561 5.656 1.00 26.29 H new ATOM 0 HG23 ILE X 50 3.903 38.281 6.120 1.00 26.29 H new ATOM 0 HD11 ILE X 50 1.966 34.995 4.610 1.00 28.16 H new ATOM 0 HD12 ILE X 50 1.145 36.269 4.148 1.00 28.16 H new ATOM 0 HD13 ILE X 50 2.728 36.309 4.162 1.00 28.16 H new ATOM 413 N GLY X 51 0.655 40.589 7.315 1.00 24.45 N ATOM 414 CA GLY X 51 0.517 42.020 7.528 1.00 24.72 C ATOM 415 C GLY X 51 0.758 42.851 6.288 1.00 30.11 C ATOM 416 O GLY X 51 0.246 43.968 6.167 1.00 32.30 O ATOM 0 H GLY X 51 -0.005 40.222 6.903 1.00 24.45 H new ATOM 0 HA2 GLY X 51 -0.375 42.204 7.861 1.00 24.72 H new ATOM 0 HA3 GLY X 51 1.140 42.297 8.218 1.00 24.72 H new ATOM 417 N LYS X 52 1.528 42.296 5.356 1.00 34.11 N ATOM 418 CA LYS X 52 1.845 42.971 4.102 1.00 29.28 C ATOM 419 C LYS X 52 2.137 41.939 3.018 1.00 30.28 C ATOM 420 O LYS X 52 2.404 40.776 3.334 1.00 27.88 O ATOM 421 CB LYS X 52 3.035 43.907 4.299 1.00 32.23 C ATOM 422 CG LYS X 52 4.238 43.240 4.936 0.90 36.63 C ATOM 423 CD LYS X 52 5.324 44.262 5.221 0.77 44.39 C ATOM 424 CE LYS X 52 6.306 43.741 6.252 1.00 40.89 C ATOM 425 NZ LYS X 52 7.314 44.788 6.602 0.79 50.07 N ATOM 0 H LYS X 52 1.882 41.516 5.434 1.00 34.11 H new ATOM 0 HA LYS X 52 1.084 43.503 3.822 1.00 29.28 H new ATOM 0 HB2 LYS X 52 3.295 44.271 3.439 1.00 32.23 H new ATOM 0 HB3 LYS X 52 2.760 44.655 4.852 1.00 32.23 H new ATOM 0 HG2 LYS X 52 3.973 42.803 5.760 0.90 36.63 H new ATOM 0 HG3 LYS X 52 4.582 42.550 4.347 0.90 36.63 H new ATOM 0 HD2 LYS X 52 5.795 44.475 4.400 0.77 44.39 H new ATOM 0 HD3 LYS X 52 4.922 45.085 5.540 0.77 44.39 H new ATOM 0 HE2 LYS X 52 5.828 43.467 7.050 1.00 40.89 H new ATOM 0 HE3 LYS X 52 6.757 42.955 5.907 1.00 40.89 H new ATOM 0 HZ1 LYS X 52 7.881 44.464 7.207 0.79 50.07 H new ATOM 0 HZ2 LYS X 52 7.764 45.023 5.871 0.79 50.07 H new ATOM 0 HZ3 LYS X 52 6.898 45.500 6.936 0.79 50.07 H new ATOM 426 N PRO X 53 2.050 42.341 1.740 1.00 29.16 N ATOM 427 CA PRO X 53 2.409 41.408 0.665 1.00 30.96 C ATOM 428 C PRO X 53 3.904 41.120 0.663 1.00 29.62 C ATOM 429 O PRO X 53 4.705 41.975 1.044 1.00 28.44 O ATOM 430 CB PRO X 53 1.981 42.144 -0.615 1.00 31.07 C ATOM 431 CG PRO X 53 1.910 43.594 -0.226 1.00 30.01 C ATOM 432 CD PRO X 53 1.524 43.618 1.223 1.00 30.64 C ATOM 0 HA PRO X 53 1.980 40.543 0.760 1.00 30.96 H new ATOM 0 HB2 PRO X 53 2.620 42.004 -1.331 1.00 31.07 H new ATOM 0 HB3 PRO X 53 1.123 41.824 -0.934 1.00 31.07 H new ATOM 0 HG2 PRO X 53 2.764 44.032 -0.365 1.00 30.01 H new ATOM 0 HG3 PRO X 53 1.258 44.066 -0.766 1.00 30.01 H new ATOM 0 HD2 PRO X 53 1.913 44.378 1.684 1.00 30.64 H new ATOM 0 HD3 PRO X 53 0.563 43.680 1.336 1.00 30.64 H new ATOM 433 N LEU X 54 4.277 39.909 0.271 1.00 29.40 N ATOM 434 CA LEU X 54 5.685 39.558 0.202 1.00 25.28 C ATOM 435 C LEU X 54 6.259 40.077 -1.118 1.00 23.52 C ATOM 436 O LEU X 54 5.614 39.980 -2.163 1.00 27.55 O ATOM 437 CB LEU X 54 5.867 38.051 0.341 1.00 23.85 C ATOM 438 CG LEU X 54 5.416 37.498 1.699 1.00 22.87 C ATOM 439 CD1 LEU X 54 5.897 36.069 1.903 1.00 26.27 C ATOM 440 CD2 LEU X 54 5.926 38.383 2.817 1.00 27.92 C ATOM 0 H LEU X 54 3.735 39.282 0.043 1.00 29.40 H new ATOM 0 HA LEU X 54 6.166 39.971 0.936 1.00 25.28 H new ATOM 0 HB2 LEU X 54 5.368 37.607 -0.362 1.00 23.85 H new ATOM 0 HB3 LEU X 54 6.802 37.832 0.206 1.00 23.85 H new ATOM 0 HG LEU X 54 4.446 37.492 1.712 1.00 22.87 H new ATOM 0 HD11 LEU X 54 5.598 35.747 2.768 1.00 26.27 H new ATOM 0 HD12 LEU X 54 5.534 35.502 1.204 1.00 26.27 H new ATOM 0 HD13 LEU X 54 6.866 36.045 1.868 1.00 26.27 H new ATOM 0 HD21 LEU X 54 5.636 38.026 3.671 1.00 27.92 H new ATOM 0 HD22 LEU X 54 6.895 38.411 2.791 1.00 27.92 H new ATOM 0 HD23 LEU X 54 5.574 39.280 2.706 1.00 27.92 H new ATOM 441 N PRO X 55 7.457 40.668 -1.069 1.00 28.69 N ATOM 442 CA PRO X 55 8.029 41.322 -2.255 1.00 27.54 C ATOM 443 C PRO X 55 8.345 40.393 -3.415 1.00 28.64 C ATOM 444 O PRO X 55 8.626 39.202 -3.229 1.00 24.66 O ATOM 445 CB PRO X 55 9.322 41.943 -1.719 1.00 35.48 C ATOM 446 CG PRO X 55 9.124 42.055 -0.251 1.00 38.14 C ATOM 447 CD PRO X 55 8.284 40.879 0.131 1.00 33.90 C ATOM 0 HA PRO X 55 7.391 41.948 -2.633 1.00 27.54 H new ATOM 0 HB2 PRO X 55 10.090 41.388 -1.927 1.00 35.48 H new ATOM 0 HB3 PRO X 55 9.484 42.812 -2.118 1.00 35.48 H new ATOM 0 HG2 PRO X 55 9.973 42.044 0.218 1.00 38.14 H new ATOM 0 HG3 PRO X 55 8.684 42.888 -0.021 1.00 38.14 H new ATOM 0 HD2 PRO X 55 8.826 40.101 0.337 1.00 33.90 H new ATOM 0 HD3 PRO X 55 7.742 41.063 0.914 1.00 33.90 H new ATOM 448 N ASN X 56 8.287 40.956 -4.618 1.00 30.94 N ATOM 449 CA ASN X 56 8.800 40.307 -5.826 1.00 33.19 C ATOM 450 C ASN X 56 8.063 39.054 -6.242 1.00 31.69 C ATOM 451 O ASN X 56 8.664 38.137 -6.803 1.00 28.09 O ATOM 452 CB ASN X 56 10.279 39.967 -5.658 1.00 29.93 C ATOM 453 CG ASN X 56 11.116 41.181 -5.340 1.00 35.75 C ATOM 454 OD1 ASN X 56 10.865 42.271 -5.857 1.00 32.25 O ATOM 455 ND2 ASN X 56 12.112 41.005 -4.484 1.00 35.05 N ATOM 0 H ASN X 56 7.946 41.733 -4.760 1.00 30.94 H new ATOM 0 HA ASN X 56 8.660 40.957 -6.532 1.00 33.19 H new ATOM 0 HB2 ASN X 56 10.379 39.313 -4.948 1.00 29.93 H new ATOM 0 HB3 ASN X 56 10.608 39.555 -6.472 1.00 29.93 H new ATOM 0 HD21 ASN X 56 12.615 41.668 -4.268 1.00 35.05 H new ATOM 0 HD22 ASN X 56 12.255 40.228 -4.144 1.00 35.05 H new ATOM 456 N ARG X 57 6.765 39.016 -5.966 1.00 26.14 N ATOM 457 CA ARG X 57 5.913 37.949 -6.451 1.00 26.14 C ATOM 458 C ARG X 57 4.492 38.441 -6.402 1.00 25.22 C ATOM 459 O ARG X 57 4.208 39.438 -5.734 1.00 26.27 O ATOM 460 CB ARG X 57 6.083 36.681 -5.614 1.00 28.43 C ATOM 461 CG ARG X 57 5.437 36.722 -4.230 1.00 23.38 C ATOM 462 CD ARG X 57 6.311 35.911 -3.255 1.00 22.46 C ATOM 463 NE ARG X 57 7.445 36.704 -2.798 1.00 24.63 N ATOM 464 CZ ARG X 57 8.254 36.366 -1.796 1.00 23.64 C ATOM 465 NH1 ARG X 57 8.091 35.211 -1.146 1.00 25.73 N ATOM 466 NH2 ARG X 57 9.234 37.178 -1.440 1.00 25.17 N ATOM 0 H ARG X 57 6.358 39.608 -5.493 1.00 26.14 H new ATOM 0 HA ARG X 57 6.157 37.716 -7.361 1.00 26.14 H new ATOM 0 HB2 ARG X 57 5.710 35.933 -6.107 1.00 28.43 H new ATOM 0 HB3 ARG X 57 7.031 36.506 -5.507 1.00 28.43 H new ATOM 0 HG2 ARG X 57 5.354 37.639 -3.924 1.00 23.38 H new ATOM 0 HG3 ARG X 57 4.541 36.352 -4.266 1.00 23.38 H new ATOM 0 HD2 ARG X 57 5.779 35.630 -2.494 1.00 22.46 H new ATOM 0 HD3 ARG X 57 6.629 35.105 -3.692 1.00 22.46 H new ATOM 0 HE ARG X 57 7.603 37.445 -3.205 1.00 24.63 H new ATOM 0 HH11 ARG X 57 7.458 34.675 -1.373 1.00 25.73 H new ATOM 0 HH12 ARG X 57 8.619 35.003 -0.500 1.00 25.73 H new ATOM 0 HH21 ARG X 57 9.348 37.922 -1.855 1.00 25.17 H new ATOM 0 HH22 ARG X 57 9.758 36.962 -0.793 1.00 25.17 H new ATOM 467 N ARG X 58 3.603 37.762 -7.108 1.00 28.92 N ATOM 468 CA ARG X 58 2.194 38.114 -7.052 1.00 28.41 C ATOM 469 C ARG X 58 1.581 37.622 -5.740 1.00 29.60 C ATOM 470 O ARG X 58 1.771 36.463 -5.358 1.00 24.73 O ATOM 471 CB ARG X 58 1.453 37.531 -8.240 1.00 24.42 C ATOM 472 CG ARG X 58 0.021 38.007 -8.362 1.00 27.99 C ATOM 473 CD ARG X 58 -0.636 37.401 -9.585 1.00 33.15 C ATOM 474 NE ARG X 58 -1.959 37.963 -9.824 1.00 27.48 N ATOM 475 CZ ARG X 58 -2.761 37.588 -10.810 1.00 30.41 C ATOM 476 NH1 ARG X 58 -2.371 36.652 -11.661 1.00 31.61 N ATOM 477 NH2 ARG X 58 -3.950 38.162 -10.954 1.00 38.75 N ATOM 0 H ARG X 58 3.792 37.099 -7.622 1.00 28.92 H new ATOM 0 HA ARG X 58 2.112 39.080 -7.089 1.00 28.41 H new ATOM 0 HB2 ARG X 58 1.931 37.760 -9.052 1.00 24.42 H new ATOM 0 HB3 ARG X 58 1.458 36.564 -8.171 1.00 24.42 H new ATOM 0 HG2 ARG X 58 -0.476 37.762 -7.566 1.00 27.99 H new ATOM 0 HG3 ARG X 58 0.000 38.975 -8.423 1.00 27.99 H new ATOM 0 HD2 ARG X 58 -0.075 37.553 -10.362 1.00 33.15 H new ATOM 0 HD3 ARG X 58 -0.709 36.441 -9.471 1.00 33.15 H new ATOM 0 HE ARG X 58 -2.237 38.578 -9.291 1.00 27.48 H new ATOM 0 HH11 ARG X 58 -1.597 36.287 -11.574 1.00 31.61 H new ATOM 0 HH12 ARG X 58 -2.892 36.409 -12.301 1.00 31.61 H new ATOM 0 HH21 ARG X 58 -4.200 38.777 -10.407 1.00 38.75 H new ATOM 0 HH22 ARG X 58 -4.470 37.919 -11.594 1.00 38.75 H new ATOM 478 N ASN X 59 0.872 38.512 -5.048 1.00 23.15 N ATOM 479 CA ASN X 59 0.171 38.158 -3.817 1.00 25.11 C ATOM 480 C ASN X 59 -1.342 38.153 -4.011 1.00 25.83 C ATOM 481 O ASN X 59 -1.942 39.202 -4.237 1.00 28.39 O ATOM 482 CB ASN X 59 0.538 39.136 -2.702 1.00 20.18 C ATOM 483 CG ASN X 59 1.970 38.975 -2.227 1.00 28.85 C ATOM 484 OD1 ASN X 59 2.211 38.509 -1.121 1.00 22.38 O ATOM 485 ND2 ASN X 59 2.925 39.380 -3.056 1.00 27.53 N ATOM 0 H ASN X 59 0.784 39.336 -5.279 1.00 23.15 H new ATOM 0 HA ASN X 59 0.448 37.261 -3.572 1.00 25.11 H new ATOM 0 HB2 ASN X 59 0.406 40.044 -3.017 1.00 20.18 H new ATOM 0 HB3 ASN X 59 -0.064 39.006 -1.952 1.00 20.18 H new ATOM 0 HD21 ASN X 59 3.751 39.320 -2.823 1.00 27.53 H new ATOM 0 HD22 ASN X 59 2.718 39.702 -3.826 1.00 27.53 H new ATOM 486 N VAL X 60 -1.955 36.980 -3.924 1.00 22.40 N ATOM 487 CA VAL X 60 -3.397 36.849 -4.133 1.00 21.37 C ATOM 488 C VAL X 60 -4.087 36.450 -2.828 1.00 25.29 C ATOM 489 O VAL X 60 -3.723 35.463 -2.209 1.00 21.89 O ATOM 490 CB VAL X 60 -3.712 35.812 -5.213 1.00 20.91 C ATOM 491 CG1 VAL X 60 -5.217 35.555 -5.318 1.00 25.32 C ATOM 492 CG2 VAL X 60 -3.146 36.262 -6.562 1.00 23.63 C ATOM 0 H VAL X 60 -1.554 36.241 -3.744 1.00 22.40 H new ATOM 0 HA VAL X 60 -3.730 37.711 -4.428 1.00 21.37 H new ATOM 0 HB VAL X 60 -3.288 34.977 -4.959 1.00 20.91 H new ATOM 0 HG11 VAL X 60 -5.385 34.895 -6.009 1.00 25.32 H new ATOM 0 HG12 VAL X 60 -5.549 35.225 -4.468 1.00 25.32 H new ATOM 0 HG13 VAL X 60 -5.672 36.382 -5.543 1.00 25.32 H new ATOM 0 HG21 VAL X 60 -3.352 35.597 -7.238 1.00 23.63 H new ATOM 0 HG22 VAL X 60 -3.543 37.111 -6.813 1.00 23.63 H new ATOM 0 HG23 VAL X 60 -2.184 36.364 -6.492 1.00 23.63 H new ATOM 493 N VAL X 61 -5.080 37.222 -2.410 1.00 22.04 N ATOM 494 CA VAL X 61 -5.781 36.924 -1.172 1.00 20.36 C ATOM 495 C VAL X 61 -7.213 36.547 -1.485 1.00 25.90 C ATOM 496 O VAL X 61 -7.911 37.227 -2.251 1.00 25.03 O ATOM 497 CB VAL X 61 -5.750 38.122 -0.176 1.00 18.26 C ATOM 498 CG1 VAL X 61 -6.628 37.849 1.024 1.00 22.87 C ATOM 499 CG2 VAL X 61 -4.306 38.412 0.271 1.00 22.59 C ATOM 0 H VAL X 61 -5.362 37.920 -2.826 1.00 22.04 H new ATOM 0 HA VAL X 61 -5.327 36.182 -0.743 1.00 20.36 H new ATOM 0 HB VAL X 61 -6.097 38.904 -0.633 1.00 18.26 H new ATOM 0 HG11 VAL X 61 -6.594 38.606 1.629 1.00 22.87 H new ATOM 0 HG12 VAL X 61 -7.542 37.711 0.731 1.00 22.87 H new ATOM 0 HG13 VAL X 61 -6.312 37.055 1.482 1.00 22.87 H new ATOM 0 HG21 VAL X 61 -4.302 39.159 0.890 1.00 22.59 H new ATOM 0 HG22 VAL X 61 -3.939 37.628 0.709 1.00 22.59 H new ATOM 0 HG23 VAL X 61 -3.765 38.632 -0.504 1.00 22.59 H new ATOM 500 N LEU X 62 -7.641 35.435 -0.902 1.00 22.73 N ATOM 501 CA LEU X 62 -9.002 34.948 -1.044 1.00 20.38 C ATOM 502 C LEU X 62 -9.849 35.402 0.144 1.00 22.77 C ATOM 503 O LEU X 62 -9.526 35.107 1.302 1.00 22.75 O ATOM 504 CB LEU X 62 -8.999 33.411 -1.154 1.00 22.38 C ATOM 505 CG LEU X 62 -10.356 32.703 -1.209 1.00 25.07 C ATOM 506 CD1 LEU X 62 -11.179 33.125 -2.398 1.00 25.70 C ATOM 507 CD2 LEU X 62 -10.157 31.178 -1.218 1.00 28.17 C ATOM 0 H LEU X 62 -7.143 34.938 -0.408 1.00 22.73 H new ATOM 0 HA LEU X 62 -9.389 35.316 -1.854 1.00 20.38 H new ATOM 0 HB2 LEU X 62 -8.503 33.169 -1.952 1.00 22.38 H new ATOM 0 HB3 LEU X 62 -8.508 33.058 -0.396 1.00 22.38 H new ATOM 0 HG LEU X 62 -10.847 32.964 -0.414 1.00 25.07 H new ATOM 0 HD11 LEU X 62 -12.026 32.652 -2.390 1.00 25.70 H new ATOM 0 HD12 LEU X 62 -11.342 34.080 -2.356 1.00 25.70 H new ATOM 0 HD13 LEU X 62 -10.700 32.915 -3.215 1.00 25.70 H new ATOM 0 HD21 LEU X 62 -11.021 30.739 -1.253 1.00 28.17 H new ATOM 0 HD22 LEU X 62 -9.634 30.924 -1.995 1.00 28.17 H new ATOM 0 HD23 LEU X 62 -9.690 30.908 -0.412 1.00 28.17 H new ATOM 508 N THR X 63 -10.918 36.148 -0.143 1.00 26.11 N ATOM 509 CA THR X 63 -11.811 36.645 0.902 1.00 23.51 C ATOM 510 C THR X 63 -13.231 36.846 0.351 1.00 25.31 C ATOM 511 O THR X 63 -13.416 36.973 -0.862 1.00 25.52 O ATOM 512 CB THR X 63 -11.289 37.971 1.509 1.00 25.80 C ATOM 513 OG1 THR X 63 -12.242 38.478 2.447 1.00 24.90 O ATOM 514 CG2 THR X 63 -11.038 39.009 0.430 1.00 22.42 C ATOM 0 H THR X 63 -11.143 36.377 -0.941 1.00 26.11 H new ATOM 0 HA THR X 63 -11.835 35.978 1.605 1.00 23.51 H new ATOM 0 HB THR X 63 -10.448 37.788 1.957 1.00 25.80 H new ATOM 0 HG1 THR X 63 -12.172 38.059 3.172 1.00 24.90 H new ATOM 0 HG21 THR X 63 -10.713 39.827 0.837 1.00 22.42 H new ATOM 0 HG22 THR X 63 -10.376 38.673 -0.194 1.00 22.42 H new ATOM 0 HG23 THR X 63 -11.865 39.191 -0.043 1.00 22.42 H new ATOM 515 N SER X 64 -14.223 36.849 1.240 1.00 26.15 N ATOM 516 CA SER X 64 -15.602 37.139 0.846 1.00 26.00 C ATOM 517 C SER X 64 -15.867 38.636 0.958 1.00 27.66 C ATOM 518 O SER X 64 -16.910 39.118 0.542 1.00 30.60 O ATOM 519 CB SER X 64 -16.599 36.358 1.707 1.00 27.02 C ATOM 520 OG SER X 64 -16.586 36.802 3.059 1.00 27.51 O ATOM 0 H SER X 64 -14.119 36.685 2.078 1.00 26.15 H new ATOM 0 HA SER X 64 -15.722 36.860 -0.075 1.00 26.00 H new ATOM 0 HB2 SER X 64 -17.492 36.459 1.341 1.00 27.02 H new ATOM 0 HB3 SER X 64 -16.384 35.413 1.674 1.00 27.02 H new ATOM 0 HG SER X 64 -15.802 36.763 3.359 1.00 27.51 H new ATOM 521 N ASP X 65 -14.901 39.358 1.522 1.00 26.70 N ATOM 522 CA ASP X 65 -15.024 40.799 1.785 1.00 27.14 C ATOM 523 C ASP X 65 -14.895 41.613 0.492 1.00 24.68 C ATOM 524 O ASP X 65 -13.816 41.731 -0.081 1.00 25.93 O ATOM 525 CB ASP X 65 -13.956 41.212 2.814 1.00 26.84 C ATOM 526 CG ASP X 65 -14.090 42.666 3.294 1.00 30.20 C ATOM 527 OD1 ASP X 65 -14.885 43.434 2.724 1.00 26.94 O ATOM 528 OD2 ASP X 65 -13.382 43.032 4.263 1.00 27.86 O ATOM 0 H ASP X 65 -14.147 39.025 1.767 1.00 26.70 H new ATOM 0 HA ASP X 65 -15.905 40.984 2.147 1.00 27.14 H new ATOM 0 HB2 ASP X 65 -14.011 40.620 3.581 1.00 26.84 H new ATOM 0 HB3 ASP X 65 -13.077 41.089 2.423 1.00 26.84 H new ATOM 529 N THR X 66 -15.997 42.203 0.044 1.00 30.43 N ATOM 530 CA THR X 66 -15.981 42.948 -1.208 1.00 28.15 C ATOM 531 C THR X 66 -15.342 44.327 -1.049 1.00 31.78 C ATOM 532 O THR X 66 -15.128 45.025 -2.034 1.00 32.21 O ATOM 533 CB THR X 66 -17.397 43.114 -1.773 1.00 35.48 C ATOM 534 OG1 THR X 66 -18.175 43.883 -0.855 1.00 32.42 O ATOM 535 CG2 THR X 66 -18.056 41.752 -1.970 1.00 36.31 C ATOM 0 H THR X 66 -16.757 42.185 0.445 1.00 30.43 H new ATOM 0 HA THR X 66 -15.444 42.429 -1.827 1.00 28.15 H new ATOM 0 HB THR X 66 -17.345 43.564 -2.631 1.00 35.48 H new ATOM 0 HG1 THR X 66 -18.086 44.700 -1.028 1.00 32.42 H new ATOM 0 HG21 THR X 66 -18.950 41.873 -2.327 1.00 36.31 H new ATOM 0 HG22 THR X 66 -17.529 41.224 -2.590 1.00 36.31 H new ATOM 0 HG23 THR X 66 -18.109 41.292 -1.118 1.00 36.31 H new ATOM 536 N SER X 67 -15.035 44.719 0.188 1.00 28.33 N ATOM 537 CA SER X 67 -14.334 45.984 0.431 1.00 27.51 C ATOM 538 C SER X 67 -12.835 45.796 0.515 1.00 28.07 C ATOM 539 O SER X 67 -12.079 46.762 0.482 1.00 26.57 O ATOM 540 CB SER X 67 -14.811 46.646 1.731 1.00 26.35 C ATOM 541 OG SER X 67 -16.080 47.227 1.545 1.00 32.14 O ATOM 0 H SER X 67 -15.222 44.271 0.898 1.00 28.33 H new ATOM 0 HA SER X 67 -14.541 46.554 -0.326 1.00 27.51 H new ATOM 0 HB2 SER X 67 -14.851 45.987 2.441 1.00 26.35 H new ATOM 0 HB3 SER X 67 -14.175 47.324 2.009 1.00 26.35 H new ATOM 0 HG SER X 67 -16.630 46.633 1.320 1.00 32.14 H new ATOM 542 N PHE X 68 -12.402 44.546 0.639 1.00 32.07 N ATOM 543 CA PHE X 68 -10.994 44.267 0.864 1.00 25.01 C ATOM 544 C PHE X 68 -10.142 44.861 -0.236 1.00 29.16 C ATOM 545 O PHE X 68 -10.335 44.585 -1.412 1.00 28.83 O ATOM 546 CB PHE X 68 -10.756 42.756 0.971 1.00 31.50 C ATOM 547 CG PHE X 68 -9.371 42.393 1.426 1.00 28.24 C ATOM 548 CD1 PHE X 68 -8.334 42.279 0.517 1.00 34.88 C ATOM 549 CD2 PHE X 68 -9.115 42.151 2.765 1.00 37.06 C ATOM 550 CE1 PHE X 68 -7.059 41.940 0.937 1.00 34.97 C ATOM 551 CE2 PHE X 68 -7.840 41.810 3.188 1.00 34.03 C ATOM 552 CZ PHE X 68 -6.820 41.707 2.271 1.00 30.91 C ATOM 0 H PHE X 68 -12.906 43.850 0.596 1.00 32.07 H new ATOM 0 HA PHE X 68 -10.735 44.681 1.702 1.00 25.01 H new ATOM 0 HB2 PHE X 68 -11.400 42.378 1.590 1.00 31.50 H new ATOM 0 HB3 PHE X 68 -10.921 42.349 0.106 1.00 31.50 H new ATOM 0 HD1 PHE X 68 -8.495 42.432 -0.386 1.00 34.88 H new ATOM 0 HD2 PHE X 68 -9.804 42.218 3.386 1.00 37.06 H new ATOM 0 HE1 PHE X 68 -6.367 41.870 0.320 1.00 34.97 H new ATOM 0 HE2 PHE X 68 -7.675 41.651 4.089 1.00 34.03 H new ATOM 0 HZ PHE X 68 -5.964 41.479 2.555 1.00 30.91 H new ATOM 553 N ASN X 69 -9.196 45.693 0.167 1.00 33.12 N ATOM 554 CA ASN X 69 -8.302 46.328 -0.773 1.00 38.59 C ATOM 555 C ASN X 69 -6.987 46.654 -0.094 1.00 38.03 C ATOM 556 O ASN X 69 -6.953 47.348 0.937 1.00 37.15 O ATOM 557 CB ASN X 69 -8.935 47.595 -1.341 1.00 36.51 C ATOM 558 CG ASN X 69 -8.350 47.976 -2.669 1.00 46.77 C ATOM 559 OD1 ASN X 69 -7.227 48.477 -2.745 1.00 43.98 O ATOM 560 ND2 ASN X 69 -9.104 47.733 -3.736 1.00 46.27 N ATOM 0 H ASN X 69 -9.057 45.903 0.989 1.00 33.12 H new ATOM 0 HA ASN X 69 -8.134 45.716 -1.507 1.00 38.59 H new ATOM 0 HB2 ASN X 69 -9.891 47.462 -1.437 1.00 36.51 H new ATOM 0 HB3 ASN X 69 -8.812 48.325 -0.714 1.00 36.51 H new ATOM 0 HD21 ASN X 69 -8.813 47.927 -4.522 1.00 46.27 H new ATOM 0 HD22 ASN X 69 -9.883 47.382 -3.641 1.00 46.27 H new ATOM 561 N VAL X 70 -5.907 46.123 -0.658 1.00 28.57 N ATOM 562 CA VAL X 70 -4.572 46.355 -0.138 1.00 25.82 C ATOM 563 C VAL X 70 -3.659 46.597 -1.334 1.00 29.67 C ATOM 564 O VAL X 70 -3.684 45.830 -2.287 1.00 31.79 O ATOM 565 CB VAL X 70 -4.055 45.156 0.709 1.00 32.33 C ATOM 566 CG1 VAL X 70 -2.661 45.437 1.241 1.00 31.73 C ATOM 567 CG2 VAL X 70 -5.008 44.845 1.860 1.00 28.57 C ATOM 0 H VAL X 70 -5.931 45.618 -1.354 1.00 28.57 H new ATOM 0 HA VAL X 70 -4.583 47.121 0.457 1.00 25.82 H new ATOM 0 HB VAL X 70 -4.015 44.379 0.130 1.00 32.33 H new ATOM 0 HG11 VAL X 70 -2.356 44.680 1.765 1.00 31.73 H new ATOM 0 HG12 VAL X 70 -2.054 45.581 0.498 1.00 31.73 H new ATOM 0 HG13 VAL X 70 -2.681 46.230 1.800 1.00 31.73 H new ATOM 0 HG21 VAL X 70 -4.664 44.096 2.371 1.00 28.57 H new ATOM 0 HG22 VAL X 70 -5.084 45.622 2.436 1.00 28.57 H new ATOM 0 HG23 VAL X 70 -5.882 44.620 1.505 1.00 28.57 H new ATOM 568 N GLU X 71 -2.878 47.672 -1.318 1.00 40.89 N ATOM 569 CA GLU X 71 -1.984 47.912 -2.444 1.00 39.33 C ATOM 570 C GLU X 71 -0.947 46.782 -2.513 1.00 32.25 C ATOM 571 O GLU X 71 -0.398 46.365 -1.487 1.00 35.42 O ATOM 572 CB GLU X 71 -1.305 49.278 -2.334 1.00 46.52 C ATOM 573 CG GLU X 71 -0.491 49.467 -1.073 1.00 48.57 C ATOM 574 CD GLU X 71 0.441 50.663 -1.155 1.00 68.80 C ATOM 575 OE1 GLU X 71 0.364 51.416 -2.154 1.00 71.97 O ATOM 576 OE2 GLU X 71 1.255 50.840 -0.221 1.00 65.90 O ATOM 0 H GLU X 71 -2.849 48.257 -0.688 1.00 40.89 H new ATOM 0 HA GLU X 71 -2.503 47.920 -3.264 1.00 39.33 H new ATOM 0 HB2 GLU X 71 -0.726 49.403 -3.102 1.00 46.52 H new ATOM 0 HB3 GLU X 71 -1.984 49.970 -2.375 1.00 46.52 H new ATOM 0 HG2 GLU X 71 -1.090 49.579 -0.319 1.00 48.57 H new ATOM 0 HG3 GLU X 71 0.030 48.666 -0.905 1.00 48.57 H new ATOM 577 N GLY X 72 -0.718 46.268 -3.718 1.00 30.62 N ATOM 578 CA GLY X 72 0.209 45.160 -3.920 1.00 32.41 C ATOM 579 C GLY X 72 -0.424 43.780 -3.801 1.00 35.50 C ATOM 580 O GLY X 72 0.244 42.750 -3.952 1.00 30.92 O ATOM 0 H GLY X 72 -1.094 46.550 -4.438 1.00 30.62 H new ATOM 0 HA2 GLY X 72 0.611 45.245 -4.799 1.00 32.41 H new ATOM 0 HA3 GLY X 72 0.927 45.231 -3.272 1.00 32.41 H new ATOM 581 N VAL X 73 -1.718 43.754 -3.518 1.00 29.78 N ATOM 582 CA VAL X 73 -2.454 42.500 -3.359 1.00 29.24 C ATOM 583 C VAL X 73 -3.566 42.411 -4.383 1.00 30.79 C ATOM 584 O VAL X 73 -4.300 43.376 -4.598 1.00 35.08 O ATOM 585 CB VAL X 73 -3.060 42.383 -1.941 1.00 26.95 C ATOM 586 CG1 VAL X 73 -4.035 41.209 -1.856 1.00 25.56 C ATOM 587 CG2 VAL X 73 -1.965 42.289 -0.896 1.00 34.13 C ATOM 0 H VAL X 73 -2.198 44.460 -3.412 1.00 29.78 H new ATOM 0 HA VAL X 73 -1.827 41.772 -3.492 1.00 29.24 H new ATOM 0 HB VAL X 73 -3.568 43.188 -1.757 1.00 26.95 H new ATOM 0 HG11 VAL X 73 -4.401 41.156 -0.959 1.00 25.56 H new ATOM 0 HG12 VAL X 73 -4.756 41.340 -2.492 1.00 25.56 H new ATOM 0 HG13 VAL X 73 -3.568 40.384 -2.063 1.00 25.56 H new ATOM 0 HG21 VAL X 73 -2.364 42.216 -0.015 1.00 34.13 H new ATOM 0 HG22 VAL X 73 -1.419 41.506 -1.069 1.00 34.13 H new ATOM 0 HG23 VAL X 73 -1.411 43.084 -0.935 1.00 34.13 H new ATOM 588 N ASP X 74 -3.688 41.262 -5.033 1.00 27.69 N ATOM 589 CA ASP X 74 -4.822 40.987 -5.895 1.00 29.82 C ATOM 590 C ASP X 74 -5.851 40.170 -5.128 1.00 33.06 C ATOM 591 O ASP X 74 -5.509 39.195 -4.482 1.00 31.43 O ATOM 592 CB ASP X 74 -4.384 40.234 -7.153 1.00 27.64 C ATOM 593 CG ASP X 74 -3.408 41.021 -7.985 1.00 33.50 C ATOM 594 OD1 ASP X 74 -3.392 42.269 -7.860 1.00 31.29 O ATOM 595 OD2 ASP X 74 -2.654 40.397 -8.760 1.00 35.60 O ATOM 0 H ASP X 74 -3.116 40.622 -4.986 1.00 27.69 H new ATOM 0 HA ASP X 74 -5.215 41.829 -6.172 1.00 29.82 H new ATOM 0 HB2 ASP X 74 -3.980 39.390 -6.897 1.00 27.64 H new ATOM 0 HB3 ASP X 74 -5.165 40.023 -7.689 1.00 27.64 H new ATOM 596 N VAL X 75 -7.113 40.564 -5.203 1.00 24.13 N ATOM 597 CA VAL X 75 -8.160 39.870 -4.470 1.00 28.20 C ATOM 598 C VAL X 75 -8.916 38.906 -5.355 1.00 27.12 C ATOM 599 O VAL X 75 -9.251 39.233 -6.491 1.00 32.55 O ATOM 600 CB VAL X 75 -9.163 40.874 -3.857 1.00 28.45 C ATOM 601 CG1 VAL X 75 -10.213 40.153 -3.044 1.00 30.66 C ATOM 602 CG2 VAL X 75 -8.431 41.887 -3.009 1.00 36.22 C ATOM 0 H VAL X 75 -7.385 41.231 -5.673 1.00 24.13 H new ATOM 0 HA VAL X 75 -7.722 39.371 -3.763 1.00 28.20 H new ATOM 0 HB VAL X 75 -9.613 41.342 -4.578 1.00 28.45 H new ATOM 0 HG11 VAL X 75 -10.832 40.799 -2.668 1.00 30.66 H new ATOM 0 HG12 VAL X 75 -10.697 39.536 -3.615 1.00 30.66 H new ATOM 0 HG13 VAL X 75 -9.785 39.661 -2.326 1.00 30.66 H new ATOM 0 HG21 VAL X 75 -9.068 42.512 -2.629 1.00 36.22 H new ATOM 0 HG22 VAL X 75 -7.960 41.431 -2.294 1.00 36.22 H new ATOM 0 HG23 VAL X 75 -7.794 42.369 -3.559 1.00 36.22 H new ATOM 603 N ILE X 76 -9.193 37.712 -4.843 1.00 27.40 N ATOM 604 CA ILE X 76 -10.165 36.831 -5.480 1.00 27.76 C ATOM 605 C ILE X 76 -11.249 36.485 -4.456 1.00 27.75 C ATOM 606 O ILE X 76 -11.025 36.629 -3.248 1.00 24.92 O ATOM 607 CB ILE X 76 -9.517 35.562 -6.041 1.00 28.86 C ATOM 608 CG1 ILE X 76 -8.815 34.776 -4.926 1.00 22.28 C ATOM 609 CG2 ILE X 76 -8.519 35.931 -7.146 1.00 25.33 C ATOM 610 CD1 ILE X 76 -8.245 33.426 -5.394 1.00 23.26 C ATOM 0 H ILE X 76 -8.831 37.394 -4.131 1.00 27.40 H new ATOM 0 HA ILE X 76 -10.556 37.293 -6.238 1.00 27.76 H new ATOM 0 HB ILE X 76 -10.210 34.998 -6.418 1.00 28.86 H new ATOM 0 HG12 ILE X 76 -8.095 35.315 -4.564 1.00 22.28 H new ATOM 0 HG13 ILE X 76 -9.444 34.621 -4.204 1.00 22.28 H new ATOM 0 HG21 ILE X 76 -8.112 35.124 -7.497 1.00 25.33 H new ATOM 0 HG22 ILE X 76 -8.983 36.396 -7.860 1.00 25.33 H new ATOM 0 HG23 ILE X 76 -7.830 36.507 -6.781 1.00 25.33 H new ATOM 0 HD11 ILE X 76 -7.816 32.979 -4.647 1.00 23.26 H new ATOM 0 HD12 ILE X 76 -8.965 32.870 -5.732 1.00 23.26 H new ATOM 0 HD13 ILE X 76 -7.594 33.576 -6.098 1.00 23.26 H new ATOM 611 N HIS X 77 -12.422 36.052 -4.933 1.00 29.60 N ATOM 612 CA HIS X 77 -13.573 35.832 -4.053 1.00 28.71 C ATOM 613 C HIS X 77 -14.123 34.413 -4.094 1.00 27.50 C ATOM 614 O HIS X 77 -15.103 34.086 -3.411 1.00 28.37 O ATOM 615 CB HIS X 77 -14.701 36.822 -4.389 1.00 27.17 C ATOM 616 CG HIS X 77 -14.335 38.249 -4.141 1.00 27.03 C ATOM 617 ND1 HIS X 77 -14.020 38.728 -2.887 1.00 30.82 N ATOM 618 CD2 HIS X 77 -14.216 39.298 -4.987 1.00 32.58 C ATOM 619 CE1 HIS X 77 -13.719 40.013 -2.971 1.00 31.29 C ATOM 620 NE2 HIS X 77 -13.827 40.382 -4.237 1.00 29.54 N ATOM 0 H HIS X 77 -12.570 35.880 -5.763 1.00 29.60 H new ATOM 0 HA HIS X 77 -13.244 35.979 -3.153 1.00 28.71 H new ATOM 0 HB2 HIS X 77 -14.948 36.716 -5.321 1.00 27.17 H new ATOM 0 HB3 HIS X 77 -15.484 36.600 -3.861 1.00 27.17 H new ATOM 0 HD1 HIS X 77 -14.019 38.264 -2.163 1.00 30.82 H new ATOM 0 HD2 HIS X 77 -14.369 39.288 -5.904 1.00 32.58 H new ATOM 0 HE1 HIS X 77 -13.474 40.563 -2.262 1.00 31.29 H new ATOM 621 N SER X 78 -13.490 33.552 -4.873 1.00 31.44 N ATOM 622 CA ASER X 78 -13.933 32.173 -4.962 0.48 31.34 C ATOM 623 CA BSER X 78 -13.933 32.166 -4.972 0.52 31.34 C ATOM 624 C SER X 78 -12.757 31.247 -5.250 1.00 32.24 C ATOM 625 O SER X 78 -11.781 31.657 -5.861 1.00 29.28 O ATOM 626 CB ASER X 78 -15.010 32.047 -6.040 0.48 35.35 C ATOM 627 CB BSER X 78 -14.976 32.004 -6.075 0.52 35.34 C ATOM 628 OG ASER X 78 -15.055 30.744 -6.576 0.48 32.53 O ATOM 629 OG BSER X 78 -14.355 32.001 -7.351 0.52 35.05 O ATOM 0 H ASER X 78 -12.805 33.744 -5.356 0.48 31.44 H new ATOM 0 H BSER X 78 -12.803 33.746 -5.353 0.52 31.44 H new ATOM 0 HA ASER X 78 -14.314 31.907 -4.111 0.48 31.34 H new ATOM 0 HA BSER X 78 -14.334 31.924 -4.123 0.52 31.34 H new ATOM 0 HB2ASER X 78 -15.875 32.273 -5.663 0.48 35.34 H new ATOM 0 HB2BSER X 78 -15.465 31.177 -5.946 0.52 35.34 H new ATOM 0 HB3ASER X 78 -14.835 32.684 -6.750 0.48 35.34 H new ATOM 0 HB3BSER X 78 -15.622 32.726 -6.025 0.52 35.34 H new ATOM 0 HG ASER X 78 -15.753 30.357 -6.314 0.48 35.05 H new ATOM 0 HG BSER X 78 -14.940 31.910 -7.947 0.52 35.05 H new ATOM 630 N ILE X 79 -12.862 30.000 -4.790 1.00 32.92 N ATOM 631 CA ILE X 79 -11.830 29.001 -5.038 1.00 32.59 C ATOM 632 C ILE X 79 -11.610 28.833 -6.538 1.00 34.46 C ATOM 633 O ILE X 79 -10.471 28.727 -6.995 1.00 29.72 O ATOM 634 CB ILE X 79 -12.199 27.646 -4.412 1.00 29.22 C ATOM 635 CG1 ILE X 79 -11.968 27.682 -2.908 1.00 34.47 C ATOM 636 CG2 ILE X 79 -11.352 26.533 -5.000 1.00 40.11 C ATOM 637 CD1 ILE X 79 -10.509 27.691 -2.529 1.00 35.31 C ATOM 0 H ILE X 79 -13.529 29.714 -4.329 1.00 32.92 H new ATOM 0 HA ILE X 79 -11.010 29.313 -4.624 1.00 32.59 H new ATOM 0 HB ILE X 79 -13.135 27.477 -4.603 1.00 29.22 H new ATOM 0 HG12 ILE X 79 -12.396 28.471 -2.540 1.00 34.47 H new ATOM 0 HG13 ILE X 79 -12.396 26.912 -2.503 1.00 34.47 H new ATOM 0 HG21 ILE X 79 -11.600 25.688 -4.593 1.00 40.11 H new ATOM 0 HG22 ILE X 79 -11.499 26.485 -5.958 1.00 40.11 H new ATOM 0 HG23 ILE X 79 -10.415 26.713 -4.826 1.00 40.11 H new ATOM 0 HD11 ILE X 79 -10.426 27.714 -1.563 1.00 35.31 H new ATOM 0 HD12 ILE X 79 -10.081 26.891 -2.871 1.00 35.31 H new ATOM 0 HD13 ILE X 79 -10.081 28.474 -2.909 1.00 35.31 H new ATOM 638 N GLU X 80 -12.704 28.838 -7.305 1.00 34.89 N ATOM 639 CA GLU X 80 -12.620 28.659 -8.755 1.00 31.24 C ATOM 640 C GLU X 80 -11.711 29.678 -9.420 1.00 32.14 C ATOM 641 O GLU X 80 -11.132 29.404 -10.467 1.00 34.44 O ATOM 642 CB GLU X 80 -14.010 28.719 -9.400 1.00 34.17 C ATOM 643 CG GLU X 80 -14.925 27.545 -9.046 1.00 55.25 C ATOM 644 CD GLU X 80 -15.696 27.733 -7.739 1.00 60.78 C ATOM 645 OE1 GLU X 80 -15.498 28.761 -7.056 1.00 55.20 O ATOM 646 OE2 GLU X 80 -16.502 26.839 -7.388 1.00 69.51 O ATOM 0 H GLU X 80 -13.503 28.944 -7.004 1.00 34.89 H new ATOM 0 HA GLU X 80 -12.234 27.780 -8.895 1.00 31.24 H new ATOM 0 HB2 GLU X 80 -14.443 29.544 -9.132 1.00 34.17 H new ATOM 0 HB3 GLU X 80 -13.906 28.754 -10.364 1.00 34.17 H new ATOM 0 HG2 GLU X 80 -15.558 27.411 -9.768 1.00 55.25 H new ATOM 0 HG3 GLU X 80 -14.391 26.738 -8.983 1.00 55.25 H new ATOM 647 N ASP X 81 -11.575 30.854 -8.814 1.00 33.71 N ATOM 648 CA ASP X 81 -10.706 31.880 -9.374 1.00 30.34 C ATOM 649 C ASP X 81 -9.238 31.464 -9.411 1.00 31.16 C ATOM 650 O ASP X 81 -8.464 31.969 -10.227 1.00 32.24 O ATOM 651 CB ASP X 81 -10.838 33.177 -8.585 1.00 31.69 C ATOM 652 CG ASP X 81 -12.205 33.797 -8.731 1.00 37.02 C ATOM 653 OD1 ASP X 81 -12.827 33.600 -9.797 1.00 33.87 O ATOM 654 OD2 ASP X 81 -12.652 34.469 -7.780 1.00 40.47 O ATOM 0 H ASP X 81 -11.974 31.075 -8.085 1.00 33.71 H new ATOM 0 HA ASP X 81 -10.997 32.011 -10.290 1.00 30.34 H new ATOM 0 HB2 ASP X 81 -10.663 33.002 -7.647 1.00 31.69 H new ATOM 0 HB3 ASP X 81 -10.165 33.807 -8.887 1.00 31.69 H new ATOM 655 N ILE X 82 -8.850 30.560 -8.517 1.00 27.59 N ATOM 656 CA ILE X 82 -7.438 30.170 -8.410 1.00 28.86 C ATOM 657 C ILE X 82 -6.951 29.546 -9.713 1.00 31.20 C ATOM 658 O ILE X 82 -5.813 29.759 -10.138 1.00 32.85 O ATOM 659 CB ILE X 82 -7.212 29.183 -7.253 1.00 29.18 C ATOM 660 CG1 ILE X 82 -7.576 29.843 -5.918 1.00 32.93 C ATOM 661 CG2 ILE X 82 -5.761 28.694 -7.238 1.00 30.69 C ATOM 662 CD1 ILE X 82 -7.410 28.949 -4.724 1.00 29.35 C ATOM 0 H ILE X 82 -9.378 30.162 -7.967 1.00 27.59 H new ATOM 0 HA ILE X 82 -6.930 30.977 -8.230 1.00 28.86 H new ATOM 0 HB ILE X 82 -7.788 28.413 -7.384 1.00 29.18 H new ATOM 0 HG12 ILE X 82 -7.025 30.632 -5.798 1.00 32.93 H new ATOM 0 HG13 ILE X 82 -8.497 30.144 -5.958 1.00 32.93 H new ATOM 0 HG21 ILE X 82 -5.636 28.073 -6.503 1.00 30.69 H new ATOM 0 HG22 ILE X 82 -5.561 28.247 -8.076 1.00 30.69 H new ATOM 0 HG23 ILE X 82 -5.165 29.451 -7.126 1.00 30.69 H new ATOM 0 HD11 ILE X 82 -7.658 29.433 -3.920 1.00 29.35 H new ATOM 0 HD12 ILE X 82 -7.980 28.170 -4.821 1.00 29.35 H new ATOM 0 HD13 ILE X 82 -6.485 28.666 -4.658 1.00 29.35 H new ATOM 663 N TYR X 83 -7.841 28.807 -10.366 1.00 32.84 N ATOM 664 CA TYR X 83 -7.467 28.052 -11.561 1.00 38.22 C ATOM 665 C TYR X 83 -7.231 28.942 -12.782 1.00 40.46 C ATOM 666 O TYR X 83 -6.714 28.483 -13.803 1.00 42.04 O ATOM 667 CB TYR X 83 -8.535 27.004 -11.861 1.00 33.59 C ATOM 668 CG TYR X 83 -8.821 26.100 -10.682 1.00 34.24 C ATOM 669 CD1 TYR X 83 -7.843 25.240 -10.188 1.00 37.98 C ATOM 670 CD2 TYR X 83 -10.057 26.106 -10.061 1.00 35.53 C ATOM 671 CE1 TYR X 83 -8.097 24.409 -9.109 1.00 43.25 C ATOM 672 CE2 TYR X 83 -10.320 25.280 -8.982 1.00 40.95 C ATOM 673 CZ TYR X 83 -9.338 24.433 -8.507 1.00 45.68 C ATOM 674 OH TYR X 83 -9.601 23.609 -7.430 1.00 40.27 O ATOM 0 H TYR X 83 -8.666 28.728 -10.136 1.00 32.84 H new ATOM 0 HA TYR X 83 -6.620 27.617 -11.373 1.00 38.22 H new ATOM 0 HB2 TYR X 83 -9.354 27.451 -12.126 1.00 33.59 H new ATOM 0 HB3 TYR X 83 -8.249 26.464 -12.615 1.00 33.59 H new ATOM 0 HD1 TYR X 83 -7.004 25.223 -10.590 1.00 37.98 H new ATOM 0 HD2 TYR X 83 -10.723 26.675 -10.374 1.00 35.53 H new ATOM 0 HE1 TYR X 83 -7.435 23.838 -8.792 1.00 43.25 H new ATOM 0 HE2 TYR X 83 -11.157 25.295 -8.577 1.00 40.95 H new ATOM 0 HH TYR X 83 -10.390 23.732 -7.169 1.00 40.27 H new ATOM 675 N GLN X 84 -7.583 30.218 -12.675 1.00 37.32 N ATOM 676 CA GLN X 84 -7.405 31.138 -13.792 1.00 37.97 C ATOM 677 C GLN X 84 -6.112 31.899 -13.635 1.00 39.76 C ATOM 678 O GLN X 84 -5.736 32.686 -14.498 1.00 40.37 O ATOM 679 CB GLN X 84 -8.572 32.123 -13.893 1.00 41.85 C ATOM 680 CG GLN X 84 -9.889 31.578 -13.369 1.00 47.78 C ATOM 681 CD GLN X 84 -10.335 30.335 -14.107 1.00 50.77 C ATOM 682 OE1 GLN X 84 -10.016 30.154 -15.283 1.00 54.57 O ATOM 683 NE2 GLN X 84 -11.075 29.463 -13.418 1.00 52.43 N ATOM 0 H GLN X 84 -7.925 30.570 -11.969 1.00 37.32 H new ATOM 0 HA GLN X 84 -7.377 30.614 -14.608 1.00 37.97 H new ATOM 0 HB2 GLN X 84 -8.347 32.928 -13.401 1.00 41.85 H new ATOM 0 HB3 GLN X 84 -8.686 32.381 -14.821 1.00 41.85 H new ATOM 0 HG2 GLN X 84 -9.799 31.375 -12.425 1.00 47.78 H new ATOM 0 HG3 GLN X 84 -10.573 32.261 -13.449 1.00 47.78 H new ATOM 0 HE21 GLN X 84 -11.278 29.624 -12.598 1.00 52.43 H new ATOM 0 HE22 GLN X 84 -11.349 28.740 -13.794 1.00 52.43 H new ATOM 684 N LEU X 85 -5.436 31.671 -12.516 1.00 31.44 N ATOM 685 CA LEU X 85 -4.182 32.353 -12.257 1.00 31.57 C ATOM 686 C LEU X 85 -3.105 31.686 -13.104 1.00 35.03 C ATOM 687 O LEU X 85 -2.945 30.463 -13.063 1.00 38.54 O ATOM 688 CB LEU X 85 -3.819 32.312 -10.769 1.00 25.64 C ATOM 689 CG LEU X 85 -4.802 32.974 -9.802 1.00 29.60 C ATOM 690 CD1 LEU X 85 -4.450 32.645 -8.355 1.00 26.12 C ATOM 691 CD2 LEU X 85 -4.786 34.465 -9.993 1.00 25.32 C ATOM 0 H LEU X 85 -5.687 31.128 -11.898 1.00 31.44 H new ATOM 0 HA LEU X 85 -4.262 33.290 -12.494 1.00 31.57 H new ATOM 0 HB2 LEU X 85 -3.717 31.383 -10.508 1.00 25.64 H new ATOM 0 HB3 LEU X 85 -2.953 32.735 -10.657 1.00 25.64 H new ATOM 0 HG LEU X 85 -5.689 32.630 -9.992 1.00 29.60 H new ATOM 0 HD11 LEU X 85 -5.086 33.075 -7.761 1.00 26.12 H new ATOM 0 HD12 LEU X 85 -4.484 31.685 -8.224 1.00 26.12 H new ATOM 0 HD13 LEU X 85 -3.556 32.966 -8.158 1.00 26.12 H new ATOM 0 HD21 LEU X 85 -5.411 34.877 -9.377 1.00 25.32 H new ATOM 0 HD22 LEU X 85 -3.893 34.804 -9.822 1.00 25.32 H new ATOM 0 HD23 LEU X 85 -5.043 34.678 -10.904 1.00 25.32 H new ATOM 692 N PRO X 86 -2.389 32.487 -13.903 1.00 37.30 N ATOM 693 CA PRO X 86 -1.313 31.961 -14.748 1.00 31.58 C ATOM 694 C PRO X 86 -0.021 31.689 -13.987 1.00 34.87 C ATOM 695 O PRO X 86 0.232 32.293 -12.937 1.00 32.08 O ATOM 696 CB PRO X 86 -1.107 33.078 -15.774 1.00 32.75 C ATOM 697 CG PRO X 86 -1.547 34.312 -15.078 1.00 37.30 C ATOM 698 CD PRO X 86 -2.694 33.899 -14.207 1.00 35.02 C ATOM 0 HA PRO X 86 -1.548 31.101 -15.131 1.00 31.58 H new ATOM 0 HB2 PRO X 86 -0.178 33.139 -16.047 1.00 32.75 H new ATOM 0 HB3 PRO X 86 -1.629 32.921 -16.576 1.00 32.75 H new ATOM 0 HG2 PRO X 86 -0.827 34.690 -14.550 1.00 37.30 H new ATOM 0 HG3 PRO X 86 -1.819 34.992 -15.714 1.00 37.30 H new ATOM 0 HD2 PRO X 86 -2.745 34.437 -13.401 1.00 35.02 H new ATOM 0 HD3 PRO X 86 -3.544 33.992 -14.665 1.00 35.02 H new ATOM 699 N GLY X 87 0.792 30.785 -14.526 1.00 28.10 N ATOM 700 CA GLY X 87 2.135 30.571 -14.018 1.00 24.94 C ATOM 701 C GLY X 87 2.161 29.552 -12.897 1.00 27.25 C ATOM 702 O GLY X 87 1.216 28.775 -12.732 1.00 29.95 O ATOM 0 H GLY X 87 0.579 30.284 -15.192 1.00 28.10 H new ATOM 0 HA2 GLY X 87 2.709 30.271 -14.740 1.00 24.94 H new ATOM 0 HA3 GLY X 87 2.497 31.412 -13.698 1.00 24.94 H new ATOM 703 N HIS X 88 3.248 29.546 -12.131 1.00 31.76 N ATOM 704 CA HIS X 88 3.357 28.627 -11.002 1.00 30.14 C ATOM 705 C HIS X 88 2.708 29.254 -9.776 1.00 24.30 C ATOM 706 O HIS X 88 3.171 30.274 -9.269 1.00 27.22 O ATOM 707 CB HIS X 88 4.819 28.286 -10.716 1.00 27.33 C ATOM 708 CG HIS X 88 4.995 27.074 -9.856 1.00 31.84 C ATOM 709 ND1 HIS X 88 6.226 26.497 -9.627 1.00 29.59 N ATOM 710 CD2 HIS X 88 4.096 26.324 -9.173 1.00 29.90 C ATOM 711 CE1 HIS X 88 6.079 25.449 -8.835 1.00 32.82 C ATOM 712 NE2 HIS X 88 4.797 25.321 -8.545 1.00 25.84 N ATOM 0 H HIS X 88 3.927 30.061 -12.246 1.00 31.76 H new ATOM 0 HA HIS X 88 2.897 27.802 -11.223 1.00 30.14 H new ATOM 0 HB2 HIS X 88 5.281 28.146 -11.557 1.00 27.33 H new ATOM 0 HB3 HIS X 88 5.241 29.044 -10.283 1.00 27.33 H new ATOM 0 HD1 HIS X 88 6.973 26.776 -9.949 1.00 29.59 H new ATOM 0 HD2 HIS X 88 3.177 26.462 -9.136 1.00 29.90 H new ATOM 0 HE1 HIS X 88 6.763 24.895 -8.533 1.00 32.82 H new ATOM 0 HE2 HIS X 88 4.456 24.710 -8.045 1.00 25.84 H new ATOM 713 N VAL X 89 1.635 28.630 -9.311 1.00 25.35 N ATOM 714 CA VAL X 89 0.839 29.161 -8.204 1.00 24.54 C ATOM 715 C VAL X 89 1.031 28.323 -6.949 1.00 24.80 C ATOM 716 O VAL X 89 0.873 27.110 -6.992 1.00 24.41 O ATOM 717 CB VAL X 89 -0.642 29.187 -8.584 1.00 26.99 C ATOM 718 CG1 VAL X 89 -1.500 29.549 -7.391 1.00 25.51 C ATOM 719 CG2 VAL X 89 -0.848 30.173 -9.730 1.00 30.78 C ATOM 0 H VAL X 89 1.344 27.885 -9.627 1.00 25.35 H new ATOM 0 HA VAL X 89 1.140 30.065 -8.022 1.00 24.54 H new ATOM 0 HB VAL X 89 -0.914 28.302 -8.875 1.00 26.99 H new ATOM 0 HG11 VAL X 89 -2.433 29.559 -7.655 1.00 25.51 H new ATOM 0 HG12 VAL X 89 -1.370 28.893 -6.688 1.00 25.51 H new ATOM 0 HG13 VAL X 89 -1.247 30.427 -7.065 1.00 25.51 H new ATOM 0 HG21 VAL X 89 -1.786 30.193 -9.975 1.00 30.78 H new ATOM 0 HG22 VAL X 89 -0.568 31.058 -9.450 1.00 30.78 H new ATOM 0 HG23 VAL X 89 -0.320 29.895 -10.495 1.00 30.78 H new ATOM 720 N PHE X 90 1.395 28.963 -5.844 1.00 22.76 N ATOM 721 CA PHE X 90 1.599 28.249 -4.586 1.00 22.11 C ATOM 722 C PHE X 90 0.469 28.574 -3.613 1.00 22.31 C ATOM 723 O PHE X 90 0.300 29.741 -3.256 1.00 21.83 O ATOM 724 CB PHE X 90 2.927 28.629 -3.942 1.00 21.85 C ATOM 725 CG PHE X 90 4.142 28.221 -4.736 1.00 24.69 C ATOM 726 CD1 PHE X 90 4.681 29.074 -5.685 1.00 22.36 C ATOM 727 CD2 PHE X 90 4.761 27.010 -4.502 1.00 19.00 C ATOM 728 CE1 PHE X 90 5.804 28.711 -6.411 1.00 27.30 C ATOM 729 CE2 PHE X 90 5.889 26.619 -5.241 1.00 26.18 C ATOM 730 CZ PHE X 90 6.417 27.483 -6.186 1.00 26.60 C ATOM 0 H PHE X 90 1.530 29.811 -5.800 1.00 22.76 H new ATOM 0 HA PHE X 90 1.608 27.300 -4.785 1.00 22.11 H new ATOM 0 HB2 PHE X 90 2.947 29.590 -3.811 1.00 21.85 H new ATOM 0 HB3 PHE X 90 2.976 28.222 -3.063 1.00 21.85 H new ATOM 0 HD1 PHE X 90 4.284 29.901 -5.837 1.00 22.36 H new ATOM 0 HD2 PHE X 90 4.426 26.444 -3.845 1.00 19.00 H new ATOM 0 HE1 PHE X 90 6.149 29.291 -7.051 1.00 27.30 H new ATOM 0 HE2 PHE X 90 6.278 25.787 -5.097 1.00 26.18 H new ATOM 0 HZ PHE X 90 7.176 27.244 -6.667 1.00 26.60 H new ATOM 731 N ILE X 91 -0.294 27.566 -3.196 1.00 20.71 N ATOM 732 CA ILE X 91 -1.235 27.737 -2.076 1.00 19.16 C ATOM 733 C ILE X 91 -0.432 27.860 -0.772 1.00 19.80 C ATOM 734 O ILE X 91 0.306 26.926 -0.399 1.00 21.86 O ATOM 735 CB ILE X 91 -2.212 26.560 -1.976 1.00 22.20 C ATOM 736 CG1 ILE X 91 -2.924 26.300 -3.319 1.00 21.81 C ATOM 737 CG2 ILE X 91 -3.196 26.777 -0.814 1.00 20.28 C ATOM 738 CD1 ILE X 91 -3.700 27.486 -3.862 1.00 25.27 C ATOM 0 H ILE X 91 -0.287 26.779 -3.542 1.00 20.71 H new ATOM 0 HA ILE X 91 -1.758 28.539 -2.229 1.00 19.16 H new ATOM 0 HB ILE X 91 -1.707 25.755 -1.780 1.00 22.20 H new ATOM 0 HG12 ILE X 91 -2.262 26.033 -3.976 1.00 21.81 H new ATOM 0 HG13 ILE X 91 -3.533 25.553 -3.210 1.00 21.81 H new ATOM 0 HG21 ILE X 91 -3.807 26.026 -0.763 1.00 20.28 H new ATOM 0 HG22 ILE X 91 -2.703 26.850 0.018 1.00 20.28 H new ATOM 0 HG23 ILE X 91 -3.699 27.593 -0.964 1.00 20.28 H new ATOM 0 HD11 ILE X 91 -4.116 27.243 -4.704 1.00 25.27 H new ATOM 0 HD12 ILE X 91 -4.385 27.743 -3.226 1.00 25.27 H new ATOM 0 HD13 ILE X 91 -3.095 28.231 -4.004 1.00 25.27 H new ATOM 739 N PHE X 92 -0.574 28.992 -0.085 1.00 18.40 N ATOM 740 CA PHE X 92 0.357 29.414 0.960 1.00 19.04 C ATOM 741 C PHE X 92 -0.202 29.265 2.375 1.00 19.00 C ATOM 742 O PHE X 92 0.574 29.275 3.336 1.00 20.53 O ATOM 743 CB PHE X 92 0.763 30.874 0.722 1.00 19.17 C ATOM 744 CG PHE X 92 2.034 31.315 1.447 1.00 21.30 C ATOM 745 CD1 PHE X 92 3.252 30.676 1.218 1.00 20.99 C ATOM 746 CD2 PHE X 92 2.017 32.428 2.282 1.00 22.18 C ATOM 747 CE1 PHE X 92 4.423 31.103 1.861 1.00 21.11 C ATOM 748 CE2 PHE X 92 3.183 32.867 2.922 1.00 24.68 C ATOM 749 CZ PHE X 92 4.388 32.195 2.708 1.00 20.14 C ATOM 0 H PHE X 92 -1.221 29.543 -0.214 1.00 18.40 H new ATOM 0 HA PHE X 92 1.125 28.825 0.902 1.00 19.04 H new ATOM 0 HB2 PHE X 92 0.886 31.011 -0.230 1.00 19.17 H new ATOM 0 HB3 PHE X 92 0.032 31.449 0.999 1.00 19.17 H new ATOM 0 HD1 PHE X 92 3.288 29.956 0.630 1.00 20.99 H new ATOM 0 HD2 PHE X 92 1.220 32.887 2.417 1.00 22.18 H new ATOM 0 HE1 PHE X 92 5.223 30.651 1.718 1.00 21.11 H new ATOM 0 HE2 PHE X 92 3.155 33.604 3.488 1.00 24.68 H new ATOM 0 HZ PHE X 92 5.164 32.481 3.134 1.00 20.14 H new ATOM 750 N GLY X 93 -1.526 29.146 2.513 1.00 18.29 N ATOM 751 CA GLY X 93 -2.146 29.067 3.840 1.00 16.89 C ATOM 752 C GLY X 93 -3.527 29.713 3.850 1.00 19.25 C ATOM 753 O GLY X 93 -3.873 30.384 2.868 1.00 18.28 O ATOM 0 H GLY X 93 -2.079 29.109 1.856 1.00 18.29 H new ATOM 0 HA2 GLY X 93 -2.220 28.138 4.109 1.00 16.89 H new ATOM 0 HA3 GLY X 93 -1.577 29.507 4.491 1.00 16.89 H new ATOM 754 N GLY X 94 -4.331 29.526 4.909 1.00 19.83 N ATOM 755 CA GLY X 94 -3.954 28.786 6.111 1.00 19.70 C ATOM 756 C GLY X 94 -4.617 27.425 6.174 1.00 19.67 C ATOM 757 O GLY X 94 -4.704 26.725 5.165 1.00 19.36 O ATOM 0 H GLY X 94 -5.132 29.838 4.942 1.00 19.83 H new ATOM 0 HA2 GLY X 94 -2.990 28.676 6.133 1.00 19.70 H new ATOM 0 HA3 GLY X 94 -4.199 29.300 6.896 1.00 19.70 H new ATOM 758 N GLN X 95 -5.054 27.020 7.364 1.00 20.90 N ATOM 759 CA GLN X 95 -5.711 25.714 7.507 1.00 20.36 C ATOM 760 C GLN X 95 -6.914 25.580 6.572 1.00 22.81 C ATOM 761 O GLN X 95 -7.076 24.575 5.869 1.00 22.01 O ATOM 762 CB GLN X 95 -6.147 25.490 8.958 1.00 18.02 C ATOM 763 CG GLN X 95 -6.998 24.224 9.141 1.00 18.40 C ATOM 764 CD GLN X 95 -7.291 23.873 10.599 1.00 21.77 C ATOM 765 OE1 GLN X 95 -6.607 24.321 11.524 1.00 20.53 O ATOM 766 NE2 GLN X 95 -8.335 23.067 10.807 1.00 27.11 N ATOM 0 H GLN X 95 -4.984 27.474 8.091 1.00 20.90 H new ATOM 0 HA GLN X 95 -5.064 25.035 7.260 1.00 20.36 H new ATOM 0 HB2 GLN X 95 -5.360 25.428 9.521 1.00 18.02 H new ATOM 0 HB3 GLN X 95 -6.653 26.260 9.261 1.00 18.02 H new ATOM 0 HG2 GLN X 95 -7.839 24.341 8.672 1.00 18.40 H new ATOM 0 HG3 GLN X 95 -6.542 23.476 8.724 1.00 18.40 H new ATOM 0 HE21 GLN X 95 -8.791 22.773 10.140 1.00 27.11 H new ATOM 0 HE22 GLN X 95 -8.552 22.842 11.608 1.00 27.11 H new ATOM 767 N THR X 96 -7.756 26.606 6.539 1.00 21.49 N ATOM 768 CA THR X 96 -8.969 26.531 5.742 1.00 20.87 C ATOM 769 C THR X 96 -8.650 26.342 4.265 1.00 22.19 C ATOM 770 O THR X 96 -9.172 25.427 3.629 1.00 22.93 O ATOM 771 CB THR X 96 -9.837 27.779 5.938 1.00 21.39 C ATOM 772 OG1 THR X 96 -10.217 27.862 7.323 1.00 22.75 O ATOM 773 CG2 THR X 96 -11.102 27.659 5.100 1.00 23.19 C ATOM 0 H THR X 96 -7.645 27.345 6.965 1.00 21.49 H new ATOM 0 HA THR X 96 -9.467 25.757 6.048 1.00 20.87 H new ATOM 0 HB THR X 96 -9.338 28.567 5.670 1.00 21.39 H new ATOM 0 HG1 THR X 96 -10.160 28.659 7.582 1.00 22.75 H new ATOM 0 HG21 THR X 96 -11.650 28.450 5.226 1.00 23.19 H new ATOM 0 HG22 THR X 96 -10.863 27.577 4.163 1.00 23.19 H new ATOM 0 HG23 THR X 96 -11.600 26.874 5.376 1.00 23.19 H new ATOM 774 N LEU X 97 -7.759 27.169 3.729 1.00 20.28 N ATOM 775 CA LEU X 97 -7.423 27.070 2.310 1.00 25.73 C ATOM 776 C LEU X 97 -6.759 25.727 1.982 1.00 21.79 C ATOM 777 O LEU X 97 -7.077 25.103 0.955 1.00 22.91 O ATOM 778 CB LEU X 97 -6.517 28.227 1.886 1.00 22.80 C ATOM 779 CG LEU X 97 -6.385 28.370 0.373 1.00 29.06 C ATOM 780 CD1 LEU X 97 -7.767 28.396 -0.271 1.00 23.45 C ATOM 781 CD2 LEU X 97 -5.635 29.631 0.054 1.00 25.60 C ATOM 0 H LEU X 97 -7.343 27.786 4.160 1.00 20.28 H new ATOM 0 HA LEU X 97 -8.252 27.124 1.810 1.00 25.73 H new ATOM 0 HB2 LEU X 97 -6.867 29.054 2.253 1.00 22.80 H new ATOM 0 HB3 LEU X 97 -5.636 28.096 2.270 1.00 22.80 H new ATOM 0 HG LEU X 97 -5.895 27.612 0.018 1.00 29.06 H new ATOM 0 HD11 LEU X 97 -7.675 28.487 -1.232 1.00 23.45 H new ATOM 0 HD12 LEU X 97 -8.234 27.570 -0.068 1.00 23.45 H new ATOM 0 HD13 LEU X 97 -8.272 29.147 0.077 1.00 23.45 H new ATOM 0 HD21 LEU X 97 -5.550 29.723 -0.908 1.00 25.60 H new ATOM 0 HD22 LEU X 97 -6.117 30.394 0.410 1.00 25.60 H new ATOM 0 HD23 LEU X 97 -4.752 29.592 0.453 1.00 25.60 H new ATOM 782 N PHE X 98 -5.862 25.273 2.857 1.00 19.24 N ATOM 783 CA PHE X 98 -5.224 23.971 2.667 1.00 19.67 C ATOM 784 C PHE X 98 -6.294 22.871 2.642 1.00 23.48 C ATOM 785 O PHE X 98 -6.245 21.970 1.806 1.00 24.72 O ATOM 786 CB PHE X 98 -4.180 23.690 3.765 1.00 21.61 C ATOM 787 CG PHE X 98 -2.892 24.476 3.610 1.00 18.18 C ATOM 788 CD1 PHE X 98 -2.365 24.746 2.354 1.00 18.68 C ATOM 789 CD2 PHE X 98 -2.214 24.932 4.725 1.00 15.95 C ATOM 790 CE1 PHE X 98 -1.186 25.469 2.222 1.00 18.64 C ATOM 791 CE2 PHE X 98 -1.042 25.646 4.614 1.00 19.97 C ATOM 792 CZ PHE X 98 -0.511 25.915 3.368 1.00 19.12 C ATOM 0 H PHE X 98 -5.611 25.699 3.561 1.00 19.24 H new ATOM 0 HA PHE X 98 -4.755 23.980 1.818 1.00 19.67 H new ATOM 0 HB2 PHE X 98 -4.570 23.894 4.629 1.00 21.61 H new ATOM 0 HB3 PHE X 98 -3.972 22.743 3.765 1.00 21.61 H new ATOM 0 HD1 PHE X 98 -2.805 24.440 1.594 1.00 18.68 H new ATOM 0 HD2 PHE X 98 -2.558 24.752 5.570 1.00 15.95 H new ATOM 0 HE1 PHE X 98 -0.846 25.657 1.377 1.00 18.64 H new ATOM 0 HE2 PHE X 98 -0.608 25.947 5.379 1.00 19.97 H new ATOM 0 HZ PHE X 98 0.286 26.387 3.289 1.00 19.12 H new ATOM 793 N GLU X 99 -7.269 22.940 3.544 1.00 21.67 N ATOM 794 CA GLU X 99 -8.330 21.943 3.546 1.00 22.49 C ATOM 795 C GLU X 99 -9.095 21.963 2.222 1.00 24.69 C ATOM 796 O GLU X 99 -9.481 20.911 1.695 1.00 25.65 O ATOM 797 CB GLU X 99 -9.276 22.168 4.715 1.00 24.32 C ATOM 798 CG GLU X 99 -8.654 21.736 6.042 1.00 20.63 C ATOM 799 CD GLU X 99 -9.490 22.134 7.241 1.00 25.07 C ATOM 800 OE1 GLU X 99 -9.181 21.664 8.356 1.00 24.97 O ATOM 801 OE2 GLU X 99 -10.450 22.920 7.074 1.00 28.85 O ATOM 0 H GLU X 99 -7.333 23.545 4.152 1.00 21.67 H new ATOM 0 HA GLU X 99 -7.923 21.068 3.648 1.00 22.49 H new ATOM 0 HB2 GLU X 99 -9.515 23.107 4.761 1.00 24.32 H new ATOM 0 HB3 GLU X 99 -10.097 21.673 4.566 1.00 24.32 H new ATOM 0 HG2 GLU X 99 -8.536 20.773 6.041 1.00 20.63 H new ATOM 0 HG3 GLU X 99 -7.771 22.130 6.124 1.00 20.63 H new ATOM 802 N GLU X 100 -9.270 23.157 1.666 1.00 22.01 N ATOM 803 CA GLU X 100 -10.007 23.300 0.424 1.00 23.56 C ATOM 804 C GLU X 100 -9.207 22.849 -0.786 1.00 28.09 C ATOM 805 O GLU X 100 -9.793 22.448 -1.792 1.00 24.89 O ATOM 806 CB GLU X 100 -10.462 24.745 0.241 1.00 22.27 C ATOM 807 CG GLU X 100 -11.508 25.172 1.273 1.00 21.41 C ATOM 808 CD GLU X 100 -11.903 26.627 1.103 1.00 26.33 C ATOM 809 OE1 GLU X 100 -11.134 27.510 1.530 1.00 22.92 O ATOM 810 OE2 GLU X 100 -12.968 26.881 0.519 1.00 26.64 O ATOM 0 H GLU X 100 -8.970 23.893 1.993 1.00 22.01 H new ATOM 0 HA GLU X 100 -10.782 22.720 0.488 1.00 23.56 H new ATOM 0 HB2 GLU X 100 -9.693 25.332 0.304 1.00 22.27 H new ATOM 0 HB3 GLU X 100 -10.830 24.854 -0.650 1.00 22.27 H new ATOM 0 HG2 GLU X 100 -12.295 24.611 1.188 1.00 21.41 H new ATOM 0 HG3 GLU X 100 -11.156 25.034 2.166 1.00 21.41 H new ATOM 811 N MET X 101 -7.882 22.884 -0.697 1.00 25.21 N ATOM 812 CA MET X 101 -7.075 22.716 -1.901 1.00 22.96 C ATOM 813 C MET X 101 -6.214 21.443 -1.958 1.00 24.43 C ATOM 814 O MET X 101 -5.649 21.128 -3.000 1.00 25.57 O ATOM 815 CB MET X 101 -6.179 23.944 -2.080 1.00 20.60 C ATOM 816 CG MET X 101 -6.970 25.239 -2.374 1.00 27.47 C ATOM 817 SD MET X 101 -8.018 25.137 -3.864 1.00 31.44 S ATOM 818 CE MET X 101 -6.770 24.981 -5.133 1.00 27.02 C ATOM 0 H MET X 101 -7.439 23.001 0.031 1.00 25.21 H new ATOM 0 HA MET X 101 -7.714 22.619 -2.625 1.00 22.96 H new ATOM 0 HB2 MET X 101 -5.650 24.071 -1.277 1.00 20.60 H new ATOM 0 HB3 MET X 101 -5.557 23.780 -2.806 1.00 20.60 H new ATOM 0 HG2 MET X 101 -7.529 25.448 -1.609 1.00 27.47 H new ATOM 0 HG3 MET X 101 -6.345 25.974 -2.478 1.00 27.47 H new ATOM 0 HE1 MET X 101 -7.180 25.090 -6.005 1.00 27.02 H new ATOM 0 HE2 MET X 101 -6.093 25.664 -5.007 1.00 27.02 H new ATOM 0 HE3 MET X 101 -6.359 24.104 -5.077 1.00 27.02 H new ATOM 819 N ILE X 102 -6.115 20.705 -0.865 1.00 22.83 N ATOM 820 CA ILE X 102 -5.133 19.617 -0.828 1.00 21.63 C ATOM 821 C ILE X 102 -5.495 18.502 -1.811 1.00 27.31 C ATOM 822 O ILE X 102 -4.608 17.870 -2.377 1.00 30.32 O ATOM 823 CB ILE X 102 -4.957 19.042 0.598 1.00 26.14 C ATOM 824 CG1 ILE X 102 -3.769 18.071 0.638 1.00 27.87 C ATOM 825 CG2 ILE X 102 -6.220 18.372 1.091 1.00 27.56 C ATOM 826 CD1 ILE X 102 -3.212 17.837 2.039 1.00 25.97 C ATOM 0 H ILE X 102 -6.586 20.806 -0.153 1.00 22.83 H new ATOM 0 HA ILE X 102 -4.284 20.001 -1.100 1.00 21.63 H new ATOM 0 HB ILE X 102 -4.773 19.783 1.197 1.00 26.14 H new ATOM 0 HG12 ILE X 102 -4.045 17.220 0.262 1.00 27.87 H new ATOM 0 HG13 ILE X 102 -3.061 18.415 0.071 1.00 27.87 H new ATOM 0 HG21 ILE X 102 -6.074 18.024 1.985 1.00 27.56 H new ATOM 0 HG22 ILE X 102 -6.943 19.018 1.110 1.00 27.56 H new ATOM 0 HG23 ILE X 102 -6.454 17.643 0.495 1.00 27.56 H new ATOM 0 HD11 ILE X 102 -2.468 17.217 1.992 1.00 25.97 H new ATOM 0 HD12 ILE X 102 -2.908 18.679 2.411 1.00 25.97 H new ATOM 0 HD13 ILE X 102 -3.906 17.466 2.606 1.00 25.97 H new ATOM 827 N ASP X 103 -6.782 18.292 -2.066 1.00 24.18 N ATOM 828 CA ASP X 103 -7.191 17.302 -3.075 1.00 31.44 C ATOM 829 C ASP X 103 -7.112 17.794 -4.522 1.00 29.57 C ATOM 830 O ASP X 103 -7.372 17.031 -5.454 1.00 29.00 O ATOM 831 CB ASP X 103 -8.615 16.823 -2.792 1.00 31.15 C ATOM 832 CG ASP X 103 -8.705 16.001 -1.530 1.00 37.61 C ATOM 833 OD1 ASP X 103 -7.680 15.394 -1.143 1.00 35.45 O ATOM 834 OD2 ASP X 103 -9.795 15.959 -0.923 1.00 47.32 O ATOM 0 H ASP X 103 -7.430 18.702 -1.676 1.00 24.18 H new ATOM 0 HA ASP X 103 -6.551 16.578 -2.996 1.00 31.44 H new ATOM 0 HB2 ASP X 103 -9.203 17.591 -2.718 1.00 31.15 H new ATOM 0 HB3 ASP X 103 -8.931 16.295 -3.542 1.00 31.15 H new ATOM 835 N LYS X 104 -6.750 19.055 -4.715 1.00 26.68 N ATOM 836 CA LYS X 104 -6.710 19.654 -6.043 1.00 31.03 C ATOM 837 C LYS X 104 -5.298 19.890 -6.560 1.00 31.89 C ATOM 838 O LYS X 104 -5.101 20.008 -7.759 1.00 30.86 O ATOM 839 CB LYS X 104 -7.447 20.994 -6.054 1.00 31.13 C ATOM 840 CG LYS X 104 -8.802 20.975 -5.388 1.00 31.45 C ATOM 841 CD LYS X 104 -9.795 20.188 -6.199 1.00 37.25 C ATOM 842 CE LYS X 104 -11.099 20.026 -5.439 1.00 43.93 C ATOM 843 NZ LYS X 104 -12.049 19.159 -6.196 1.00 48.20 N ATOM 0 H LYS X 104 -6.520 19.588 -4.081 1.00 26.68 H new ATOM 0 HA LYS X 104 -7.143 19.012 -6.627 1.00 31.03 H new ATOM 0 HB2 LYS X 104 -6.893 21.657 -5.614 1.00 31.13 H new ATOM 0 HB3 LYS X 104 -7.556 21.281 -6.974 1.00 31.13 H new ATOM 0 HG2 LYS X 104 -8.724 20.588 -4.502 1.00 31.45 H new ATOM 0 HG3 LYS X 104 -9.122 21.884 -5.273 1.00 31.45 H new ATOM 0 HD2 LYS X 104 -9.960 20.638 -7.042 1.00 37.25 H new ATOM 0 HD3 LYS X 104 -9.428 19.315 -6.411 1.00 37.25 H new ATOM 0 HE2 LYS X 104 -10.924 19.638 -4.567 1.00 43.93 H new ATOM 0 HE3 LYS X 104 -11.500 20.896 -5.287 1.00 43.93 H new ATOM 0 HZ1 LYS X 104 -12.806 19.076 -5.736 1.00 48.20 H new ATOM 0 HZ2 LYS X 104 -12.222 19.528 -6.987 1.00 48.20 H new ATOM 0 HZ3 LYS X 104 -11.686 18.355 -6.317 1.00 48.20 H new ATOM 844 N VAL X 105 -4.314 19.987 -5.670 1.00 28.19 N ATOM 845 CA VAL X 105 -2.998 20.421 -6.117 1.00 25.06 C ATOM 846 C VAL X 105 -2.176 19.298 -6.772 1.00 29.90 C ATOM 847 O VAL X 105 -2.370 18.108 -6.495 1.00 28.28 O ATOM 848 CB VAL X 105 -2.174 21.030 -4.963 1.00 29.90 C ATOM 849 CG1 VAL X 105 -2.860 22.285 -4.416 1.00 27.95 C ATOM 850 CG2 VAL X 105 -1.970 20.008 -3.870 1.00 28.65 C ATOM 0 H VAL X 105 -4.384 19.812 -4.831 1.00 28.19 H new ATOM 0 HA VAL X 105 -3.174 21.098 -6.789 1.00 25.06 H new ATOM 0 HB VAL X 105 -1.304 21.289 -5.305 1.00 29.90 H new ATOM 0 HG11 VAL X 105 -2.330 22.655 -3.693 1.00 27.95 H new ATOM 0 HG12 VAL X 105 -2.944 22.943 -5.124 1.00 27.95 H new ATOM 0 HG13 VAL X 105 -3.742 22.054 -4.085 1.00 27.95 H new ATOM 0 HG21 VAL X 105 -1.451 20.402 -3.151 1.00 28.65 H new ATOM 0 HG22 VAL X 105 -2.832 19.723 -3.528 1.00 28.65 H new ATOM 0 HG23 VAL X 105 -1.495 19.241 -4.228 1.00 28.65 H new ATOM 851 N ASP X 106 -1.249 19.708 -7.634 1.00 31.56 N ATOM 852 CA ASP X 106 -0.354 18.794 -8.334 1.00 34.37 C ATOM 853 C ASP X 106 0.702 18.190 -7.409 1.00 28.82 C ATOM 854 O ASP X 106 1.031 16.996 -7.486 1.00 28.30 O ATOM 855 CB ASP X 106 0.331 19.534 -9.482 1.00 33.48 C ATOM 856 CG ASP X 106 -0.658 20.082 -10.491 1.00 36.24 C ATOM 857 OD1 ASP X 106 -1.611 19.357 -10.827 1.00 34.33 O ATOM 858 OD2 ASP X 106 -0.492 21.233 -10.945 1.00 33.91 O ATOM 0 H ASP X 106 -1.121 20.535 -7.830 1.00 31.56 H new ATOM 0 HA ASP X 106 -0.891 18.062 -8.675 1.00 34.37 H new ATOM 0 HB2 ASP X 106 0.860 20.264 -9.123 1.00 33.48 H new ATOM 0 HB3 ASP X 106 0.946 18.932 -9.930 1.00 33.48 H new ATOM 859 N ASP X 107 1.245 19.028 -6.540 1.00 25.14 N ATOM 860 CA ASP X 107 2.379 18.633 -5.724 1.00 21.34 C ATOM 861 C ASP X 107 2.440 19.544 -4.506 1.00 23.22 C ATOM 862 O ASP X 107 1.715 20.551 -4.429 1.00 21.74 O ATOM 863 CB ASP X 107 3.688 18.670 -6.538 1.00 23.20 C ATOM 864 CG ASP X 107 4.066 20.065 -7.026 1.00 25.80 C ATOM 865 OD1 ASP X 107 3.207 20.971 -7.063 1.00 27.35 O ATOM 866 OD2 ASP X 107 5.243 20.254 -7.397 1.00 28.19 O ATOM 0 H ASP X 107 0.971 19.832 -6.408 1.00 25.14 H new ATOM 0 HA ASP X 107 2.268 17.716 -5.427 1.00 21.34 H new ATOM 0 HB2 ASP X 107 4.409 18.320 -5.992 1.00 23.20 H new ATOM 0 HB3 ASP X 107 3.601 18.081 -7.303 1.00 23.20 H new ATOM 867 N MET X 108 3.283 19.171 -3.546 1.00 19.97 N ATOM 868 CA MET X 108 3.427 19.904 -2.286 1.00 18.17 C ATOM 869 C MET X 108 4.893 20.068 -1.922 1.00 22.39 C ATOM 870 O MET X 108 5.679 19.111 -2.009 1.00 23.94 O ATOM 871 CB MET X 108 2.698 19.187 -1.145 1.00 18.78 C ATOM 872 CG MET X 108 1.251 18.843 -1.456 1.00 19.35 C ATOM 873 SD MET X 108 0.303 18.350 -0.003 1.00 22.59 S ATOM 874 CE MET X 108 0.975 16.733 0.345 1.00 21.85 C ATOM 0 H MET X 108 3.792 18.480 -3.606 1.00 19.97 H new ATOM 0 HA MET X 108 3.029 20.780 -2.412 1.00 18.17 H new ATOM 0 HB2 MET X 108 3.176 18.371 -0.931 1.00 18.78 H new ATOM 0 HB3 MET X 108 2.725 19.747 -0.354 1.00 18.78 H new ATOM 0 HG2 MET X 108 0.824 19.611 -1.867 1.00 19.35 H new ATOM 0 HG3 MET X 108 1.229 18.124 -2.107 1.00 19.35 H new ATOM 0 HE1 MET X 108 0.260 16.078 0.344 1.00 21.85 H new ATOM 0 HE2 MET X 108 1.627 16.500 -0.334 1.00 21.85 H new ATOM 0 HE3 MET X 108 1.404 16.741 1.215 1.00 21.85 H new ATOM 875 N TYR X 109 5.252 21.289 -1.533 1.00 18.23 N ATOM 876 CA TYR X 109 6.550 21.559 -0.961 1.00 16.70 C ATOM 877 C TYR X 109 6.357 21.725 0.528 1.00 21.05 C ATOM 878 O TYR X 109 5.848 22.755 0.964 1.00 18.36 O ATOM 879 CB TYR X 109 7.176 22.822 -1.549 1.00 16.86 C ATOM 880 CG TYR X 109 7.514 22.694 -3.007 1.00 22.17 C ATOM 881 CD1 TYR X 109 6.567 22.951 -3.988 1.00 19.92 C ATOM 882 CD2 TYR X 109 8.781 22.283 -3.402 1.00 21.56 C ATOM 883 CE1 TYR X 109 6.888 22.828 -5.332 1.00 22.36 C ATOM 884 CE2 TYR X 109 9.106 22.153 -4.736 1.00 23.22 C ATOM 885 CZ TYR X 109 8.163 22.419 -5.694 1.00 24.65 C ATOM 886 OH TYR X 109 8.517 22.288 -7.019 1.00 23.69 O ATOM 0 H TYR X 109 4.744 21.980 -1.597 1.00 18.23 H new ATOM 0 HA TYR X 109 7.153 20.826 -1.161 1.00 16.70 H new ATOM 0 HB2 TYR X 109 6.564 23.565 -1.429 1.00 16.86 H new ATOM 0 HB3 TYR X 109 7.982 23.036 -1.054 1.00 16.86 H new ATOM 0 HD1 TYR X 109 5.708 23.208 -3.742 1.00 19.92 H new ATOM 0 HD2 TYR X 109 9.421 22.092 -2.755 1.00 21.56 H new ATOM 0 HE1 TYR X 109 6.254 23.018 -5.985 1.00 22.36 H new ATOM 0 HE2 TYR X 109 9.962 21.886 -4.984 1.00 23.22 H new ATOM 0 HH TYR X 109 9.316 22.035 -7.072 1.00 23.69 H new ATOM 887 N ILE X 110 6.756 20.710 1.287 1.00 18.06 N ATOM 888 CA ILE X 110 6.543 20.681 2.724 1.00 18.21 C ATOM 889 C ILE X 110 7.857 20.821 3.470 1.00 21.73 C ATOM 890 O ILE X 110 8.824 20.141 3.151 1.00 20.80 O ATOM 891 CB ILE X 110 5.853 19.361 3.144 1.00 18.91 C ATOM 892 CG1 ILE X 110 4.481 19.291 2.479 1.00 19.43 C ATOM 893 CG2 ILE X 110 5.777 19.241 4.681 1.00 21.40 C ATOM 894 CD1 ILE X 110 3.748 17.957 2.631 1.00 22.95 C ATOM 0 H ILE X 110 7.160 20.016 0.979 1.00 18.06 H new ATOM 0 HA ILE X 110 5.970 21.430 2.952 1.00 18.21 H new ATOM 0 HB ILE X 110 6.376 18.601 2.843 1.00 18.91 H new ATOM 0 HG12 ILE X 110 3.923 19.994 2.848 1.00 19.43 H new ATOM 0 HG13 ILE X 110 4.586 19.479 1.533 1.00 19.43 H new ATOM 0 HG21 ILE X 110 5.342 18.408 4.920 1.00 21.40 H new ATOM 0 HG22 ILE X 110 6.673 19.255 5.052 1.00 21.40 H new ATOM 0 HG23 ILE X 110 5.268 19.985 5.039 1.00 21.40 H new ATOM 0 HD11 ILE X 110 2.891 18.005 2.180 1.00 22.95 H new ATOM 0 HD12 ILE X 110 4.281 17.248 2.238 1.00 22.95 H new ATOM 0 HD13 ILE X 110 3.607 17.770 3.572 1.00 22.95 H new ATOM 895 N THR X 111 7.897 21.710 4.449 1.00 17.03 N ATOM 896 CA THR X 111 8.986 21.713 5.416 1.00 16.76 C ATOM 897 C THR X 111 8.483 21.021 6.672 1.00 21.97 C ATOM 898 O THR X 111 7.598 21.534 7.344 1.00 20.34 O ATOM 899 CB THR X 111 9.459 23.123 5.778 1.00 19.50 C ATOM 900 OG1 THR X 111 9.833 23.840 4.589 1.00 20.99 O ATOM 901 CG2 THR X 111 10.658 23.034 6.725 1.00 18.44 C ATOM 0 H THR X 111 7.304 22.321 4.573 1.00 17.03 H new ATOM 0 HA THR X 111 9.745 21.255 5.022 1.00 16.76 H new ATOM 0 HB THR X 111 8.735 23.597 6.216 1.00 19.50 H new ATOM 0 HG1 THR X 111 9.918 24.656 4.769 1.00 20.99 H new ATOM 0 HG21 THR X 111 10.957 23.928 6.954 1.00 18.44 H new ATOM 0 HG22 THR X 111 10.398 22.564 7.533 1.00 18.44 H new ATOM 0 HG23 THR X 111 11.380 22.554 6.290 1.00 18.44 H new ATOM 902 N VAL X 112 9.005 19.839 6.970 1.00 20.67 N ATOM 903 CA VAL X 112 8.606 19.154 8.185 1.00 19.79 C ATOM 904 C VAL X 112 9.479 19.636 9.323 1.00 23.87 C ATOM 905 O VAL X 112 10.695 19.470 9.290 1.00 21.61 O ATOM 906 CB VAL X 112 8.728 17.627 8.061 1.00 20.91 C ATOM 907 CG1 VAL X 112 8.301 16.979 9.366 1.00 26.28 C ATOM 908 CG2 VAL X 112 7.895 17.121 6.906 1.00 22.41 C ATOM 0 H VAL X 112 9.583 19.423 6.489 1.00 20.67 H new ATOM 0 HA VAL X 112 7.672 19.357 8.352 1.00 19.79 H new ATOM 0 HB VAL X 112 9.652 17.392 7.883 1.00 20.91 H new ATOM 0 HG11 VAL X 112 8.377 16.015 9.289 1.00 26.28 H new ATOM 0 HG12 VAL X 112 8.872 17.292 10.085 1.00 26.28 H new ATOM 0 HG13 VAL X 112 7.380 17.215 9.559 1.00 26.28 H new ATOM 0 HG21 VAL X 112 7.983 16.157 6.841 1.00 22.41 H new ATOM 0 HG22 VAL X 112 6.964 17.351 7.053 1.00 22.41 H new ATOM 0 HG23 VAL X 112 8.203 17.529 6.082 1.00 22.41 H new ATOM 909 N ILE X 113 8.862 20.257 10.320 1.00 20.43 N ATOM 910 CA ILE X 113 9.584 20.746 11.485 1.00 22.94 C ATOM 911 C ILE X 113 9.590 19.621 12.510 1.00 22.85 C ATOM 912 O ILE X 113 8.525 19.210 12.949 1.00 20.12 O ATOM 913 CB ILE X 113 8.907 21.997 12.099 1.00 24.91 C ATOM 914 CG1 ILE X 113 8.538 23.038 11.021 1.00 27.87 C ATOM 915 CG2 ILE X 113 9.748 22.570 13.238 1.00 22.37 C ATOM 916 CD1 ILE X 113 9.663 23.852 10.537 1.00 23.40 C ATOM 0 H ILE X 113 8.015 20.406 10.340 1.00 20.43 H new ATOM 0 HA ILE X 113 10.482 21.005 11.225 1.00 22.94 H new ATOM 0 HB ILE X 113 8.063 21.724 12.492 1.00 24.91 H new ATOM 0 HG12 ILE X 113 8.141 22.576 10.266 1.00 27.87 H new ATOM 0 HG13 ILE X 113 7.858 23.630 11.380 1.00 27.87 H new ATOM 0 HG21 ILE X 113 9.305 23.351 13.606 1.00 22.37 H new ATOM 0 HG22 ILE X 113 9.852 21.900 13.932 1.00 22.37 H new ATOM 0 HG23 ILE X 113 10.621 22.823 12.900 1.00 22.37 H new ATOM 0 HD11 ILE X 113 9.346 24.476 9.866 1.00 23.40 H new ATOM 0 HD12 ILE X 113 10.050 24.344 11.278 1.00 23.40 H new ATOM 0 HD13 ILE X 113 10.337 23.274 10.147 1.00 23.40 H new ATOM 917 N GLU X 114 10.765 19.138 12.910 1.00 20.40 N ATOM 918 CA GLU X 114 10.842 17.921 13.727 1.00 22.59 C ATOM 919 C GLU X 114 10.686 18.251 15.196 1.00 24.09 C ATOM 920 O GLU X 114 11.575 17.954 16.006 1.00 22.52 O ATOM 921 CB GLU X 114 12.173 17.183 13.515 1.00 23.10 C ATOM 922 CG GLU X 114 12.555 16.943 12.062 1.00 31.44 C ATOM 923 CD GLU X 114 11.721 15.883 11.384 1.00 40.92 C ATOM 924 OE1 GLU X 114 11.054 15.097 12.094 1.00 45.65 O ATOM 925 OE2 GLU X 114 11.762 15.826 10.129 1.00 43.97 O ATOM 0 H GLU X 114 11.525 19.494 12.723 1.00 20.40 H new ATOM 0 HA GLU X 114 10.116 17.342 13.445 1.00 22.59 H new ATOM 0 HB2 GLU X 114 12.880 17.692 13.941 1.00 23.10 H new ATOM 0 HB3 GLU X 114 12.128 16.327 13.968 1.00 23.10 H new ATOM 0 HG2 GLU X 114 12.468 17.775 11.571 1.00 31.44 H new ATOM 0 HG3 GLU X 114 13.489 16.685 12.020 1.00 31.44 H new ATOM 926 N GLY X 115 9.557 18.874 15.538 1.00 18.90 N ATOM 927 CA GLY X 115 9.265 19.216 16.921 1.00 17.29 C ATOM 928 C GLY X 115 7.772 19.170 17.187 1.00 21.35 C ATOM 929 O GLY X 115 6.992 19.016 16.254 1.00 19.16 O ATOM 0 H GLY X 115 8.947 19.106 14.978 1.00 18.90 H new ATOM 0 HA2 GLY X 115 9.722 18.599 17.514 1.00 17.29 H new ATOM 0 HA3 GLY X 115 9.605 20.103 17.117 1.00 17.29 H new ATOM 930 N LYS X 116 7.376 19.294 18.452 1.00 20.57 N ATOM 931 CA LYS X 116 5.954 19.273 18.800 1.00 22.81 C ATOM 932 C LYS X 116 5.629 20.571 19.496 1.00 21.48 C ATOM 933 O LYS X 116 6.027 20.785 20.643 1.00 21.74 O ATOM 934 CB LYS X 116 5.602 18.081 19.691 1.00 22.95 C ATOM 935 CG LYS X 116 5.673 16.748 18.962 1.00 24.65 C ATOM 936 CD LYS X 116 5.354 15.588 19.898 1.00 31.44 C ATOM 937 CE LYS X 116 5.183 14.287 19.105 1.00 43.38 C ATOM 938 NZ LYS X 116 4.775 13.141 19.972 1.00 45.27 N ATOM 0 H LYS X 116 7.909 19.391 19.120 1.00 20.57 H new ATOM 0 HA LYS X 116 5.427 19.177 17.991 1.00 22.81 H new ATOM 0 HB2 LYS X 116 6.207 18.061 20.449 1.00 22.95 H new ATOM 0 HB3 LYS X 116 4.707 18.202 20.045 1.00 22.95 H new ATOM 0 HG2 LYS X 116 5.048 16.749 18.220 1.00 24.65 H new ATOM 0 HG3 LYS X 116 6.559 16.629 18.586 1.00 24.65 H new ATOM 0 HD2 LYS X 116 6.066 15.485 20.548 1.00 31.44 H new ATOM 0 HD3 LYS X 116 4.543 15.780 20.394 1.00 31.44 H new ATOM 0 HE2 LYS X 116 4.517 14.419 18.412 1.00 43.38 H new ATOM 0 HE3 LYS X 116 6.017 14.071 18.659 1.00 43.38 H new ATOM 0 HZ1 LYS X 116 4.687 12.408 19.474 1.00 45.27 H new ATOM 0 HZ2 LYS X 116 5.396 13.004 20.594 1.00 45.27 H new ATOM 0 HZ3 LYS X 116 3.998 13.327 20.365 1.00 45.27 H new ATOM 939 N PHE X 117 4.930 21.443 18.779 1.00 18.78 N ATOM 940 CA PHE X 117 4.639 22.798 19.247 1.00 17.85 C ATOM 941 C PHE X 117 3.188 22.888 19.673 1.00 19.77 C ATOM 942 O PHE X 117 2.356 22.113 19.202 1.00 20.73 O ATOM 943 CB PHE X 117 4.920 23.830 18.149 1.00 19.56 C ATOM 944 CG PHE X 117 6.376 23.998 17.838 1.00 22.69 C ATOM 945 CD1 PHE X 117 7.059 23.037 17.111 1.00 23.86 C ATOM 946 CD2 PHE X 117 7.073 25.113 18.295 1.00 25.85 C ATOM 947 CE1 PHE X 117 8.428 23.190 16.839 1.00 23.53 C ATOM 948 CE2 PHE X 117 8.428 25.268 18.018 1.00 21.10 C ATOM 949 CZ PHE X 117 9.098 24.297 17.297 1.00 22.43 C ATOM 0 H PHE X 117 4.608 21.266 18.001 1.00 18.78 H new ATOM 0 HA PHE X 117 5.215 22.992 20.003 1.00 17.85 H new ATOM 0 HB2 PHE X 117 4.453 23.566 17.341 1.00 19.56 H new ATOM 0 HB3 PHE X 117 4.555 24.687 18.420 1.00 19.56 H new ATOM 0 HD1 PHE X 117 6.608 22.285 16.801 1.00 23.86 H new ATOM 0 HD2 PHE X 117 6.628 25.762 18.791 1.00 25.85 H new ATOM 0 HE1 PHE X 117 8.880 22.542 16.349 1.00 23.53 H new ATOM 0 HE2 PHE X 117 8.882 26.023 18.317 1.00 21.10 H new ATOM 0 HZ PHE X 117 10.006 24.394 17.122 1.00 22.43 H new ATOM 950 N ARG X 118 2.871 23.824 20.559 1.00 23.38 N ATOM 951 CA ARG X 118 1.457 24.084 20.838 1.00 20.72 C ATOM 952 C ARG X 118 0.892 24.801 19.621 1.00 22.11 C ATOM 953 O ARG X 118 1.526 25.733 19.123 1.00 23.85 O ATOM 954 CB ARG X 118 1.280 24.938 22.092 1.00 25.45 C ATOM 955 CG ARG X 118 -0.170 25.385 22.288 1.00 34.56 C ATOM 956 CD ARG X 118 -0.374 26.207 23.554 1.00 44.01 C ATOM 957 NE ARG X 118 -0.044 25.433 24.741 1.00 43.92 N ATOM 958 CZ ARG X 118 1.089 25.560 25.419 1.00 54.39 C ATOM 959 NH1 ARG X 118 1.999 26.448 25.035 1.00 50.79 N ATOM 960 NH2 ARG X 118 1.308 24.800 26.482 1.00 49.01 N ATOM 0 H ARG X 118 3.433 24.306 20.997 1.00 23.38 H new ATOM 0 HA ARG X 118 0.990 23.250 21.004 1.00 20.72 H new ATOM 0 HB2 ARG X 118 1.569 24.433 22.868 1.00 25.45 H new ATOM 0 HB3 ARG X 118 1.852 25.719 22.033 1.00 25.45 H new ATOM 0 HG2 ARG X 118 -0.448 25.908 21.520 1.00 34.56 H new ATOM 0 HG3 ARG X 118 -0.743 24.603 22.321 1.00 34.56 H new ATOM 0 HD2 ARG X 118 0.180 27.003 23.519 1.00 44.01 H new ATOM 0 HD3 ARG X 118 -1.296 26.505 23.605 1.00 44.01 H new ATOM 0 HE ARG X 118 -0.619 24.858 25.020 1.00 43.92 H new ATOM 0 HH11 ARG X 118 1.854 26.942 24.346 1.00 50.79 H new ATOM 0 HH12 ARG X 118 2.733 26.529 25.475 1.00 50.79 H new ATOM 0 HH21 ARG X 118 0.717 24.227 26.730 1.00 49.01 H new ATOM 0 HH22 ARG X 118 2.041 24.880 26.924 1.00 49.01 H new ATOM 961 N GLY X 119 -0.277 24.394 19.133 1.00 19.70 N ATOM 962 CA GLY X 119 -0.826 25.026 17.946 1.00 20.99 C ATOM 963 C GLY X 119 -2.329 25.231 17.990 1.00 21.28 C ATOM 964 O GLY X 119 -3.018 24.615 18.812 1.00 20.64 O ATOM 0 H GLY X 119 -0.758 23.765 19.469 1.00 19.70 H new ATOM 0 HA2 GLY X 119 -0.396 25.886 17.821 1.00 20.99 H new ATOM 0 HA3 GLY X 119 -0.606 24.484 17.172 1.00 20.99 H new ATOM 965 N ASP X 120 -2.851 26.108 17.135 1.00 17.28 N ATOM 966 CA ASP X 120 -4.302 26.214 17.001 1.00 17.71 C ATOM 967 C ASP X 120 -4.726 26.116 15.550 1.00 26.57 C ATOM 968 O ASP X 120 -5.907 26.288 15.220 1.00 22.17 O ATOM 969 CB ASP X 120 -4.846 27.517 17.630 1.00 18.64 C ATOM 970 CG ASP X 120 -4.150 28.766 17.120 1.00 23.91 C ATOM 971 OD1 ASP X 120 -3.671 28.774 15.961 1.00 20.05 O ATOM 972 OD2 ASP X 120 -4.090 29.747 17.891 1.00 23.32 O ATOM 0 H ASP X 120 -2.396 26.639 16.635 1.00 17.28 H new ATOM 0 HA ASP X 120 -4.685 25.467 17.487 1.00 17.71 H new ATOM 0 HB2 ASP X 120 -5.796 27.586 17.446 1.00 18.64 H new ATOM 0 HB3 ASP X 120 -4.747 27.470 18.594 1.00 18.64 H new ATOM 973 N THR X 121 -3.754 25.814 14.693 1.00 18.54 N ATOM 974 CA THR X 121 -3.938 25.813 13.249 1.00 18.39 C ATOM 975 C THR X 121 -3.158 24.657 12.640 1.00 17.00 C ATOM 976 O THR X 121 -1.967 24.500 12.931 1.00 18.35 O ATOM 977 CB THR X 121 -3.451 27.133 12.630 1.00 17.86 C ATOM 978 OG1 THR X 121 -3.976 28.240 13.374 1.00 25.96 O ATOM 979 CG2 THR X 121 -3.881 27.242 11.166 1.00 17.71 C ATOM 0 H THR X 121 -2.958 25.601 14.940 1.00 18.54 H new ATOM 0 HA THR X 121 -4.885 25.714 13.062 1.00 18.39 H new ATOM 0 HB THR X 121 -2.482 27.148 12.665 1.00 17.86 H new ATOM 0 HG1 THR X 121 -3.638 28.246 14.143 1.00 25.96 H new ATOM 0 HG21 THR X 121 -3.563 28.081 10.797 1.00 17.71 H new ATOM 0 HG22 THR X 121 -3.504 26.504 10.662 1.00 17.71 H new ATOM 0 HG23 THR X 121 -4.849 27.210 11.110 1.00 17.71 H new ATOM 980 N PHE X 122 -3.829 23.850 11.821 1.00 16.28 N ATOM 981 CA PHE X 122 -3.283 22.556 11.381 1.00 19.37 C ATOM 982 C PHE X 122 -3.319 22.337 9.873 1.00 21.66 C ATOM 983 O PHE X 122 -4.280 22.704 9.201 1.00 18.34 O ATOM 984 CB PHE X 122 -4.039 21.401 12.054 1.00 18.29 C ATOM 985 CG PHE X 122 -3.689 21.225 13.494 1.00 17.52 C ATOM 986 CD1 PHE X 122 -4.232 22.058 14.464 1.00 18.35 C ATOM 987 CD2 PHE X 122 -2.788 20.246 13.880 1.00 19.57 C ATOM 988 CE1 PHE X 122 -3.867 21.908 15.804 1.00 18.19 C ATOM 989 CE2 PHE X 122 -2.431 20.087 15.202 1.00 20.87 C ATOM 990 CZ PHE X 122 -2.974 20.913 16.168 1.00 21.38 C ATOM 0 H PHE X 122 -4.608 24.031 11.504 1.00 16.28 H new ATOM 0 HA PHE X 122 -2.350 22.573 11.646 1.00 19.37 H new ATOM 0 HB2 PHE X 122 -4.993 21.559 11.977 1.00 18.29 H new ATOM 0 HB3 PHE X 122 -3.848 20.577 11.578 1.00 18.29 H new ATOM 0 HD1 PHE X 122 -4.841 22.718 14.220 1.00 18.35 H new ATOM 0 HD2 PHE X 122 -2.418 19.686 13.236 1.00 19.57 H new ATOM 0 HE1 PHE X 122 -4.222 22.475 16.450 1.00 18.19 H new ATOM 0 HE2 PHE X 122 -1.825 19.424 15.444 1.00 20.87 H new ATOM 0 HZ PHE X 122 -2.740 20.801 17.061 1.00 21.38 H new ATOM 991 N PHE X 123 -2.271 21.710 9.348 1.00 19.65 N ATOM 992 CA PHE X 123 -2.318 21.192 7.983 1.00 18.01 C ATOM 993 C PHE X 123 -3.170 19.922 7.995 1.00 19.37 C ATOM 994 O PHE X 123 -3.136 19.173 8.969 1.00 20.07 O ATOM 995 CB PHE X 123 -0.904 20.890 7.467 1.00 18.28 C ATOM 996 CG PHE X 123 -0.834 20.657 5.979 1.00 17.49 C ATOM 997 CD1 PHE X 123 -0.972 21.719 5.091 1.00 21.23 C ATOM 998 CD2 PHE X 123 -0.609 19.390 5.469 1.00 21.58 C ATOM 999 CE1 PHE X 123 -0.898 21.529 3.705 1.00 18.20 C ATOM 1000 CE2 PHE X 123 -0.550 19.176 4.079 1.00 23.18 C ATOM 1001 CZ PHE X 123 -0.699 20.240 3.199 1.00 19.43 C ATOM 0 H PHE X 123 -1.529 21.574 9.761 1.00 19.65 H new ATOM 0 HA PHE X 123 -2.707 21.852 7.388 1.00 18.01 H new ATOM 0 HB2 PHE X 123 -0.320 21.630 7.698 1.00 18.28 H new ATOM 0 HB3 PHE X 123 -0.563 20.106 7.925 1.00 18.28 H new ATOM 0 HD1 PHE X 123 -1.117 22.575 5.425 1.00 21.23 H new ATOM 0 HD2 PHE X 123 -0.496 18.673 6.050 1.00 21.58 H new ATOM 0 HE1 PHE X 123 -0.980 22.253 3.127 1.00 18.20 H new ATOM 0 HE2 PHE X 123 -0.411 18.318 3.748 1.00 23.18 H new ATOM 0 HZ PHE X 123 -0.667 20.097 2.281 1.00 19.43 H new ATOM 1002 N PRO X 124 -3.923 19.659 6.916 1.00 19.26 N ATOM 1003 CA PRO X 124 -4.749 18.445 6.946 1.00 18.22 C ATOM 1004 C PRO X 124 -3.933 17.161 6.886 1.00 20.28 C ATOM 1005 O PRO X 124 -2.847 17.144 6.293 1.00 22.07 O ATOM 1006 CB PRO X 124 -5.631 18.579 5.689 1.00 23.83 C ATOM 1007 CG PRO X 124 -4.972 19.601 4.830 1.00 24.48 C ATOM 1008 CD PRO X 124 -4.198 20.506 5.739 1.00 19.10 C ATOM 0 HA PRO X 124 -5.248 18.378 7.775 1.00 18.22 H new ATOM 0 HB2 PRO X 124 -5.704 17.731 5.225 1.00 23.83 H new ATOM 0 HB3 PRO X 124 -6.531 18.852 5.925 1.00 23.83 H new ATOM 0 HG2 PRO X 124 -4.384 19.179 4.184 1.00 24.48 H new ATOM 0 HG3 PRO X 124 -5.632 20.103 4.327 1.00 24.48 H new ATOM 0 HD2 PRO X 124 -3.379 20.815 5.322 1.00 19.10 H new ATOM 0 HD3 PRO X 124 -4.710 21.295 5.978 1.00 19.10 H new ATOM 1009 N PRO X 125 -4.460 16.080 7.482 1.00 24.00 N ATOM 1010 CA PRO X 125 -3.819 14.770 7.357 1.00 23.82 C ATOM 1011 C PRO X 125 -3.625 14.397 5.890 1.00 23.77 C ATOM 1012 O PRO X 125 -4.467 14.723 5.060 1.00 24.17 O ATOM 1013 CB PRO X 125 -4.811 13.818 8.027 1.00 29.08 C ATOM 1014 CG PRO X 125 -5.620 14.704 8.957 1.00 28.59 C ATOM 1015 CD PRO X 125 -5.723 16.016 8.239 1.00 24.47 C ATOM 0 HA PRO X 125 -2.937 14.744 7.760 1.00 23.82 H new ATOM 0 HB2 PRO X 125 -5.379 13.382 7.373 1.00 29.08 H new ATOM 0 HB3 PRO X 125 -4.352 13.118 8.517 1.00 29.08 H new ATOM 0 HG2 PRO X 125 -6.497 14.327 9.129 1.00 28.59 H new ATOM 0 HG3 PRO X 125 -5.182 14.806 9.816 1.00 28.59 H new ATOM 0 HD2 PRO X 125 -6.495 16.045 7.652 1.00 24.47 H new ATOM 0 HD3 PRO X 125 -5.809 16.758 8.858 1.00 24.47 H new ATOM 1016 N TYR X 126 -2.508 13.753 5.585 1.00 22.82 N ATOM 1017 CA TYR X 126 -2.274 13.195 4.257 1.00 24.51 C ATOM 1018 C TYR X 126 -1.508 11.893 4.436 1.00 29.20 C ATOM 1019 O TYR X 126 -0.911 11.659 5.484 1.00 27.76 O ATOM 1020 CB TYR X 126 -1.509 14.175 3.358 1.00 24.11 C ATOM 1021 CG TYR X 126 -0.178 14.641 3.911 1.00 23.70 C ATOM 1022 CD1 TYR X 126 -0.106 15.683 4.840 1.00 21.46 C ATOM 1023 CD2 TYR X 126 1.009 14.061 3.486 1.00 21.61 C ATOM 1024 CE1 TYR X 126 1.116 16.111 5.346 1.00 20.31 C ATOM 1025 CE2 TYR X 126 2.242 14.475 3.988 1.00 21.87 C ATOM 1026 CZ TYR X 126 2.288 15.499 4.914 1.00 22.19 C ATOM 1027 OH TYR X 126 3.510 15.906 5.390 1.00 22.93 O ATOM 0 H TYR X 126 -1.863 13.626 6.140 1.00 22.82 H new ATOM 0 HA TYR X 126 -3.120 13.029 3.813 1.00 24.51 H new ATOM 0 HB2 TYR X 126 -1.357 13.753 2.498 1.00 24.11 H new ATOM 0 HB3 TYR X 126 -2.068 14.952 3.199 1.00 24.11 H new ATOM 0 HD1 TYR X 126 -0.889 16.097 5.124 1.00 21.46 H new ATOM 0 HD2 TYR X 126 0.981 13.381 2.852 1.00 21.61 H new ATOM 0 HE1 TYR X 126 1.150 16.801 5.968 1.00 20.31 H new ATOM 0 HE2 TYR X 126 3.026 14.065 3.702 1.00 21.87 H new ATOM 0 HH TYR X 126 3.408 16.570 5.894 1.00 22.93 H new ATOM 1028 N THR X 127 -1.542 11.037 3.424 1.00 31.73 N ATOM 1029 CA THR X 127 -0.851 9.760 3.505 1.00 32.86 C ATOM 1030 C THR X 127 0.195 9.607 2.398 1.00 34.43 C ATOM 1031 O THR X 127 -0.050 9.978 1.248 1.00 34.42 O ATOM 1032 CB THR X 127 -1.856 8.595 3.439 1.00 36.40 C ATOM 1033 OG1 THR X 127 -1.143 7.362 3.318 1.00 49.35 O ATOM 1034 CG2 THR X 127 -2.786 8.755 2.253 1.00 33.63 C ATOM 0 H THR X 127 -1.958 11.176 2.684 1.00 31.73 H new ATOM 0 HA THR X 127 -0.390 9.737 4.358 1.00 32.86 H new ATOM 0 HB THR X 127 -2.386 8.596 4.251 1.00 36.40 H new ATOM 0 HG1 THR X 127 -1.674 6.720 3.420 1.00 49.35 H new ATOM 0 HG21 THR X 127 -3.410 8.013 2.229 1.00 33.63 H new ATOM 0 HG22 THR X 127 -3.277 9.587 2.336 1.00 33.63 H new ATOM 0 HG23 THR X 127 -2.267 8.767 1.434 1.00 33.63 H new ATOM 1035 N PHE X 128 1.361 9.055 2.734 1.00 35.79 N ATOM 1036 CA PHE X 128 2.408 8.868 1.731 1.00 37.51 C ATOM 1037 C PHE X 128 2.035 7.820 0.694 1.00 44.55 C ATOM 1038 O PHE X 128 2.724 7.647 -0.309 1.00 47.73 O ATOM 1039 CB PHE X 128 3.725 8.499 2.398 1.00 42.01 C ATOM 1040 CG PHE X 128 4.460 9.683 2.935 1.00 39.80 C ATOM 1041 CD1 PHE X 128 5.204 10.485 2.092 1.00 40.28 C ATOM 1042 CD2 PHE X 128 4.377 10.020 4.277 1.00 36.15 C ATOM 1043 CE1 PHE X 128 5.872 11.592 2.579 1.00 37.84 C ATOM 1044 CE2 PHE X 128 5.042 11.128 4.768 1.00 37.57 C ATOM 1045 CZ PHE X 128 5.787 11.915 3.918 1.00 43.40 C ATOM 0 H PHE X 128 1.564 8.786 3.525 1.00 35.79 H new ATOM 0 HA PHE X 128 2.509 9.713 1.266 1.00 37.51 H new ATOM 0 HB2 PHE X 128 3.552 7.877 3.122 1.00 42.01 H new ATOM 0 HB3 PHE X 128 4.289 8.039 1.757 1.00 42.01 H new ATOM 0 HD1 PHE X 128 5.256 10.278 1.187 1.00 40.28 H new ATOM 0 HD2 PHE X 128 3.869 9.495 4.853 1.00 36.15 H new ATOM 0 HE1 PHE X 128 6.379 12.119 2.005 1.00 37.84 H new ATOM 0 HE2 PHE X 128 4.986 11.342 5.671 1.00 37.57 H new ATOM 0 HZ PHE X 128 6.232 12.663 4.246 1.00 43.40 H new ATOM 1046 N GLU X 129 0.938 7.121 0.938 1.00 41.11 N ATOM 1047 CA GLU X 129 0.398 6.196 -0.040 1.00 44.46 C ATOM 1048 C GLU X 129 -0.073 6.948 -1.293 1.00 45.88 C ATOM 1049 O GLU X 129 -0.087 6.389 -2.394 1.00 44.31 O ATOM 1050 CB GLU X 129 -0.748 5.390 0.586 1.00 52.23 C ATOM 1051 CG GLU X 129 -1.787 4.859 -0.396 1.00 57.85 C ATOM 1052 CD GLU X 129 -2.929 4.132 0.298 1.00 73.15 C ATOM 1053 OE1 GLU X 129 -2.802 3.830 1.509 1.00 73.13 O ATOM 1054 OE2 GLU X 129 -3.954 3.862 -0.369 1.00 79.94 O ATOM 0 H GLU X 129 0.489 7.169 1.670 1.00 41.11 H new ATOM 0 HA GLU X 129 1.095 5.579 -0.312 1.00 44.46 H new ATOM 0 HB2 GLU X 129 -0.369 4.639 1.069 1.00 52.23 H new ATOM 0 HB3 GLU X 129 -1.198 5.949 1.238 1.00 52.23 H new ATOM 0 HG2 GLU X 129 -2.145 5.597 -0.914 1.00 57.85 H new ATOM 0 HG3 GLU X 129 -1.357 4.256 -1.022 1.00 57.85 H new ATOM 1055 N ASP X 130 -0.436 8.220 -1.123 1.00 34.35 N ATOM 1056 CA ASP X 130 -0.933 9.046 -2.229 1.00 31.61 C ATOM 1057 C ASP X 130 0.143 9.921 -2.866 1.00 33.99 C ATOM 1058 O ASP X 130 -0.088 10.520 -3.920 1.00 33.37 O ATOM 1059 CB ASP X 130 -2.057 9.970 -1.757 1.00 34.25 C ATOM 1060 CG ASP X 130 -3.248 9.221 -1.204 1.00 48.82 C ATOM 1061 OD1 ASP X 130 -3.316 7.983 -1.369 1.00 49.94 O ATOM 1062 OD2 ASP X 130 -4.122 9.888 -0.608 1.00 41.21 O ATOM 0 H ASP X 130 -0.402 8.628 -0.367 1.00 34.35 H new ATOM 0 HA ASP X 130 -1.251 8.414 -2.893 1.00 31.61 H new ATOM 0 HB2 ASP X 130 -1.712 10.567 -1.075 1.00 34.25 H new ATOM 0 HB3 ASP X 130 -2.346 10.524 -2.499 1.00 34.25 H new ATOM 1063 N TRP X 131 1.295 10.017 -2.206 1.00 37.90 N ATOM 1064 CA TRP X 131 2.329 10.975 -2.590 1.00 31.84 C ATOM 1065 C TRP X 131 3.698 10.334 -2.724 1.00 30.39 C ATOM 1066 O TRP X 131 4.186 9.685 -1.802 1.00 35.80 O ATOM 1067 CB TRP X 131 2.403 12.115 -1.566 1.00 28.78 C ATOM 1068 CG TRP X 131 1.128 12.852 -1.411 1.00 24.67 C ATOM 1069 CD1 TRP X 131 0.119 12.578 -0.524 1.00 27.34 C ATOM 1070 CD2 TRP X 131 0.699 13.979 -2.173 1.00 24.16 C ATOM 1071 NE1 TRP X 131 -0.901 13.478 -0.685 1.00 27.25 N ATOM 1072 CE2 TRP X 131 -0.574 14.345 -1.695 1.00 28.13 C ATOM 1073 CE3 TRP X 131 1.270 14.720 -3.213 1.00 27.09 C ATOM 1074 CZ2 TRP X 131 -1.285 15.418 -2.219 1.00 27.87 C ATOM 1075 CZ3 TRP X 131 0.560 15.785 -3.738 1.00 25.90 C ATOM 1076 CH2 TRP X 131 -0.703 16.126 -3.238 1.00 25.85 C ATOM 0 H TRP X 131 1.499 9.531 -1.526 1.00 37.90 H new ATOM 0 HA TRP X 131 2.078 11.321 -3.461 1.00 31.84 H new ATOM 0 HB2 TRP X 131 2.665 11.751 -0.706 1.00 28.78 H new ATOM 0 HB3 TRP X 131 3.097 12.737 -1.834 1.00 28.78 H new ATOM 0 HD1 TRP X 131 0.126 11.884 0.095 1.00 27.34 H new ATOM 0 HE1 TRP X 131 -1.629 13.496 -0.227 1.00 27.25 H new ATOM 0 HE3 TRP X 131 2.111 14.501 -3.545 1.00 27.09 H new ATOM 0 HZ2 TRP X 131 -2.124 15.647 -1.890 1.00 27.87 H new ATOM 0 HZ3 TRP X 131 0.927 16.282 -4.433 1.00 25.90 H new ATOM 0 HH2 TRP X 131 -1.157 16.849 -3.606 1.00 25.85 H new ATOM 1077 N GLU X 132 4.317 10.536 -3.878 1.00 26.38 N ATOM 1078 CA GLU X 132 5.687 10.103 -4.107 1.00 31.25 C ATOM 1079 C GLU X 132 6.662 11.150 -3.598 1.00 27.07 C ATOM 1080 O GLU X 132 6.441 12.345 -3.781 1.00 25.85 O ATOM 1081 CB GLU X 132 5.931 9.848 -5.595 1.00 33.45 C ATOM 1082 CG GLU X 132 7.374 9.497 -5.923 1.00 34.39 C ATOM 1083 CD GLU X 132 7.545 8.960 -7.327 1.00 41.72 C ATOM 1084 OE1 GLU X 132 6.594 9.075 -8.129 1.00 46.38 O ATOM 1085 OE2 GLU X 132 8.637 8.429 -7.628 1.00 48.94 O ATOM 0 H GLU X 132 3.954 10.929 -4.552 1.00 26.38 H new ATOM 0 HA GLU X 132 5.828 9.275 -3.622 1.00 31.25 H new ATOM 0 HB2 GLU X 132 5.355 9.126 -5.891 1.00 33.45 H new ATOM 0 HB3 GLU X 132 5.676 10.638 -6.097 1.00 33.45 H new ATOM 0 HG2 GLU X 132 7.927 10.287 -5.814 1.00 34.39 H new ATOM 0 HG3 GLU X 132 7.694 8.837 -5.288 1.00 34.39 H new ATOM 1086 N VAL X 133 7.749 10.709 -2.970 1.00 25.62 N ATOM 1087 CA VAL X 133 8.774 11.645 -2.509 1.00 26.05 C ATOM 1088 C VAL X 133 9.734 11.983 -3.644 1.00 25.44 C ATOM 1089 O VAL X 133 10.616 11.181 -3.989 1.00 25.30 O ATOM 1090 CB VAL X 133 9.568 11.081 -1.316 1.00 23.77 C ATOM 1091 CG1 VAL X 133 10.615 12.099 -0.830 1.00 21.83 C ATOM 1092 CG2 VAL X 133 8.604 10.696 -0.189 1.00 30.07 C ATOM 0 H VAL X 133 7.912 9.882 -2.802 1.00 25.62 H new ATOM 0 HA VAL X 133 8.318 12.450 -2.217 1.00 26.05 H new ATOM 0 HB VAL X 133 10.044 10.285 -1.600 1.00 23.77 H new ATOM 0 HG11 VAL X 133 11.104 11.727 -0.080 1.00 21.83 H new ATOM 0 HG12 VAL X 133 11.232 12.298 -1.551 1.00 21.83 H new ATOM 0 HG13 VAL X 133 10.169 12.914 -0.552 1.00 21.83 H new ATOM 0 HG21 VAL X 133 9.107 10.341 0.561 1.00 30.07 H new ATOM 0 HG22 VAL X 133 8.110 11.480 0.096 1.00 30.07 H new ATOM 0 HG23 VAL X 133 7.984 10.022 -0.509 1.00 30.07 H new ATOM 1093 N ALA X 134 9.578 13.169 -4.226 1.00 21.56 N ATOM 1094 CA ALA X 134 10.450 13.549 -5.327 1.00 23.94 C ATOM 1095 C ALA X 134 11.832 13.850 -4.772 1.00 23.85 C ATOM 1096 O ALA X 134 12.848 13.506 -5.371 1.00 25.51 O ATOM 1097 CB ALA X 134 9.896 14.746 -6.085 1.00 22.35 C ATOM 0 H ALA X 134 8.988 13.754 -4.004 1.00 21.56 H new ATOM 0 HA ALA X 134 10.505 12.815 -5.959 1.00 23.94 H new ATOM 0 HB1 ALA X 134 10.497 14.976 -6.811 1.00 22.35 H new ATOM 0 HB2 ALA X 134 9.023 14.525 -6.446 1.00 22.35 H new ATOM 0 HB3 ALA X 134 9.814 15.501 -5.482 1.00 22.35 H new ATOM 1098 N SER X 135 11.861 14.487 -3.608 1.00 20.96 N ATOM 1099 CA SER X 135 13.114 14.805 -2.937 1.00 19.82 C ATOM 1100 C SER X 135 12.888 15.016 -1.440 1.00 22.09 C ATOM 1101 O SER X 135 11.801 15.387 -1.006 1.00 19.74 O ATOM 1102 CB SER X 135 13.758 16.044 -3.553 1.00 22.75 C ATOM 1103 OG SER X 135 12.920 17.177 -3.414 1.00 23.53 O ATOM 0 H SER X 135 11.158 14.746 -3.186 1.00 20.96 H new ATOM 0 HA SER X 135 13.716 14.054 -3.055 1.00 19.82 H new ATOM 0 HB2 SER X 135 14.612 16.215 -3.125 1.00 22.75 H new ATOM 0 HB3 SER X 135 13.939 15.885 -4.493 1.00 22.75 H new ATOM 0 HG SER X 135 13.095 17.569 -2.692 1.00 23.53 H new ATOM 1104 N SER X 136 13.927 14.761 -0.663 1.00 20.30 N ATOM 1105 CA SER X 136 13.880 14.956 0.782 1.00 20.73 C ATOM 1106 C SER X 136 15.267 15.405 1.185 1.00 27.13 C ATOM 1107 O SER X 136 16.234 14.657 1.012 1.00 26.04 O ATOM 1108 CB SER X 136 13.468 13.674 1.502 1.00 20.85 C ATOM 1109 OG SER X 136 13.522 13.833 2.925 1.00 23.53 O ATOM 0 H SER X 136 14.682 14.470 -0.955 1.00 20.30 H new ATOM 0 HA SER X 136 13.215 15.618 1.029 1.00 20.73 H new ATOM 0 HB2 SER X 136 12.568 13.427 1.236 1.00 20.85 H new ATOM 0 HB3 SER X 136 14.053 12.948 1.234 1.00 20.85 H new ATOM 0 HG SER X 136 14.320 13.785 3.182 1.00 23.53 H new ATOM 1110 N VAL X 137 15.360 16.639 1.677 1.00 21.62 N ATOM 1111 CA VAL X 137 16.631 17.274 2.022 1.00 23.33 C ATOM 1112 C VAL X 137 16.591 17.784 3.460 1.00 23.96 C ATOM 1113 O VAL X 137 15.758 18.627 3.803 1.00 22.79 O ATOM 1114 CB VAL X 137 16.946 18.441 1.066 1.00 23.30 C ATOM 1115 CG1 VAL X 137 18.291 19.075 1.390 1.00 28.39 C ATOM 1116 CG2 VAL X 137 16.889 17.967 -0.405 1.00 22.48 C ATOM 0 H VAL X 137 14.675 17.139 1.822 1.00 21.62 H new ATOM 0 HA VAL X 137 17.331 16.608 1.935 1.00 23.33 H new ATOM 0 HB VAL X 137 16.268 19.124 1.190 1.00 23.30 H new ATOM 0 HG11 VAL X 137 18.462 19.804 0.774 1.00 28.39 H new ATOM 0 HG12 VAL X 137 18.278 19.416 2.298 1.00 28.39 H new ATOM 0 HG13 VAL X 137 18.992 18.410 1.305 1.00 28.39 H new ATOM 0 HG21 VAL X 137 17.089 18.712 -0.993 1.00 22.48 H new ATOM 0 HG22 VAL X 137 17.541 17.262 -0.543 1.00 22.48 H new ATOM 0 HG23 VAL X 137 16.001 17.629 -0.602 1.00 22.48 H new ATOM 1117 N GLU X 138 17.475 17.268 4.308 1.00 26.62 N ATOM 1118 CA GLU X 138 17.563 17.781 5.680 1.00 27.55 C ATOM 1119 C GLU X 138 18.124 19.179 5.711 1.00 28.34 C ATOM 1120 O GLU X 138 19.078 19.490 4.991 1.00 29.74 O ATOM 1121 CB GLU X 138 18.432 16.897 6.546 1.00 29.91 C ATOM 1122 CG GLU X 138 17.906 15.525 6.800 1.00 32.42 C ATOM 1123 CD GLU X 138 18.896 14.742 7.631 1.00 49.53 C ATOM 1124 OE1 GLU X 138 19.045 13.522 7.411 1.00 55.35 O ATOM 1125 OE2 GLU X 138 19.551 15.369 8.495 1.00 49.54 O ATOM 0 H GLU X 138 18.024 16.634 4.119 1.00 26.62 H new ATOM 0 HA GLU X 138 16.658 17.787 6.029 1.00 27.55 H new ATOM 0 HB2 GLU X 138 19.304 16.819 6.128 1.00 29.91 H new ATOM 0 HB3 GLU X 138 18.565 17.338 7.400 1.00 29.91 H new ATOM 0 HG2 GLU X 138 17.054 15.577 7.261 1.00 32.42 H new ATOM 0 HG3 GLU X 138 17.746 15.070 5.958 1.00 32.42 H new ATOM 1126 N GLY X 139 17.533 20.023 6.551 1.00 24.03 N ATOM 1127 CA GLY X 139 17.972 21.394 6.688 1.00 23.97 C ATOM 1128 C GLY X 139 19.181 21.397 7.597 1.00 27.27 C ATOM 1129 O GLY X 139 19.342 20.489 8.409 1.00 25.87 O ATOM 0 H GLY X 139 16.868 19.812 7.054 1.00 24.03 H new ATOM 0 HA2 GLY X 139 18.196 21.769 5.822 1.00 23.97 H new ATOM 0 HA3 GLY X 139 17.264 21.943 7.060 1.00 23.97 H new ATOM 1130 N LYS X 140 20.031 22.410 7.483 1.00 30.64 N ATOM 1131 CA LYS X 140 21.233 22.443 8.319 1.00 32.79 C ATOM 1132 C LYS X 140 20.958 23.130 9.647 1.00 30.79 C ATOM 1133 O LYS X 140 20.254 24.144 9.710 1.00 35.90 O ATOM 1134 CB LYS X 140 22.392 23.138 7.593 1.00 38.85 C ATOM 1135 CG LYS X 140 22.842 22.433 6.310 1.00 43.33 C ATOM 1136 CD LYS X 140 23.423 21.044 6.585 1.00 46.28 C ATOM 1137 CE LYS X 140 23.606 20.240 5.292 1.00 54.50 C ATOM 1138 NZ LYS X 140 24.550 20.870 4.314 1.00 48.11 N ATOM 0 H LYS X 140 19.938 23.074 6.944 1.00 30.64 H new ATOM 0 HA LYS X 140 21.489 21.524 8.497 1.00 32.79 H new ATOM 0 HB2 LYS X 140 22.126 24.045 7.375 1.00 38.85 H new ATOM 0 HB3 LYS X 140 23.148 23.201 8.198 1.00 38.85 H new ATOM 0 HG2 LYS X 140 22.087 22.352 5.706 1.00 43.33 H new ATOM 0 HG3 LYS X 140 23.508 22.977 5.861 1.00 43.33 H new ATOM 0 HD2 LYS X 140 24.278 21.134 7.034 1.00 46.28 H new ATOM 0 HD3 LYS X 140 22.836 20.560 7.187 1.00 46.28 H new ATOM 0 HE2 LYS X 140 23.930 19.354 5.516 1.00 54.50 H new ATOM 0 HE3 LYS X 140 22.742 20.127 4.867 1.00 54.50 H new ATOM 0 HZ1 LYS X 140 24.624 20.350 3.595 1.00 48.11 H new ATOM 0 HZ2 LYS X 140 24.238 21.668 4.072 1.00 48.11 H new ATOM 0 HZ3 LYS X 140 25.350 20.967 4.693 1.00 48.11 H new ATOM 1139 N LEU X 141 21.498 22.567 10.718 1.00 29.92 N ATOM 1140 CA LEU X 141 21.384 23.214 12.017 1.00 38.29 C ATOM 1141 C LEU X 141 22.534 24.175 12.215 1.00 43.64 C ATOM 1142 O LEU X 141 23.643 23.930 11.743 1.00 41.84 O ATOM 1143 CB LEU X 141 21.356 22.194 13.143 1.00 39.26 C ATOM 1144 CG LEU X 141 20.060 21.414 13.252 1.00 32.16 C ATOM 1145 CD1 LEU X 141 19.772 21.142 14.705 1.00 40.60 C ATOM 1146 CD2 LEU X 141 18.919 22.200 12.608 1.00 41.68 C ATOM 0 H LEU X 141 21.928 21.822 10.717 1.00 29.92 H new ATOM 0 HA LEU X 141 20.547 23.704 12.038 1.00 38.29 H new ATOM 0 HB2 LEU X 141 22.087 21.569 13.016 1.00 39.26 H new ATOM 0 HB3 LEU X 141 21.517 22.652 13.983 1.00 39.26 H new ATOM 0 HG LEU X 141 20.143 20.569 12.782 1.00 32.16 H new ATOM 0 HD11 LEU X 141 18.944 20.643 14.783 1.00 40.60 H new ATOM 0 HD12 LEU X 141 20.498 20.625 15.088 1.00 40.60 H new ATOM 0 HD13 LEU X 141 19.688 21.983 15.181 1.00 40.60 H new ATOM 0 HD21 LEU X 141 18.095 21.694 12.682 1.00 41.68 H new ATOM 0 HD22 LEU X 141 18.817 23.052 13.061 1.00 41.68 H new ATOM 0 HD23 LEU X 141 19.120 22.354 11.672 1.00 41.68 H new ATOM 1147 N ASP X 142 22.259 25.284 12.888 1.00 42.27 N ATOM 1148 CA ASP X 142 23.315 26.217 13.226 1.00 43.22 C ATOM 1149 C ASP X 142 22.890 27.134 14.347 1.00 45.75 C ATOM 1150 O ASP X 142 21.952 26.846 15.097 1.00 48.67 O ATOM 1151 CB ASP X 142 23.745 27.037 12.004 1.00 47.23 C ATOM 1152 CG ASP X 142 22.611 27.846 11.392 1.00 35.00 C ATOM 1153 OD1 ASP X 142 21.604 28.135 12.070 1.00 45.01 O ATOM 1154 OD2 ASP X 142 22.745 28.211 10.214 1.00 45.66 O ATOM 0 H ASP X 142 21.474 25.511 13.155 1.00 42.27 H new ATOM 0 HA ASP X 142 24.077 25.697 13.526 1.00 43.22 H new ATOM 0 HB2 ASP X 142 24.461 27.639 12.262 1.00 47.23 H new ATOM 0 HB3 ASP X 142 24.106 26.438 11.332 1.00 47.23 H new ATOM 1155 N GLU X 143 23.602 28.249 14.445 1.00 56.36 N ATOM 1156 CA GLU X 143 23.344 29.246 15.464 1.00 56.26 C ATOM 1157 C GLU X 143 21.896 29.719 15.386 1.00 48.23 C ATOM 1158 O GLU X 143 21.184 29.732 16.389 1.00 54.87 O ATOM 1159 CB GLU X 143 24.319 30.424 15.306 1.00 59.85 C ATOM 1160 CG GLU X 143 24.641 30.803 13.846 1.00 59.63 C ATOM 1161 CD GLU X 143 25.765 29.976 13.217 1.00 68.76 C ATOM 1162 OE1 GLU X 143 26.082 28.880 13.738 1.00 69.10 O ATOM 1163 OE2 GLU X 143 26.323 30.425 12.188 1.00 65.60 O ATOM 0 H GLU X 143 24.252 28.447 13.917 1.00 56.36 H new ATOM 0 HA GLU X 143 23.484 28.850 16.338 1.00 56.26 H new ATOM 0 HB2 GLU X 143 23.946 31.199 15.754 1.00 59.85 H new ATOM 0 HB3 GLU X 143 25.147 30.205 15.761 1.00 59.85 H new ATOM 0 HG2 GLU X 143 23.839 30.699 13.311 1.00 59.63 H new ATOM 0 HG3 GLU X 143 24.885 31.741 13.812 1.00 59.63 H new ATOM 1164 N LYS X 144 21.456 30.057 14.179 1.00 47.88 N ATOM 1165 CA LYS X 144 20.163 30.705 13.986 1.00 46.43 C ATOM 1166 C LYS X 144 19.033 29.760 13.545 1.00 41.89 C ATOM 1167 O LYS X 144 17.883 30.178 13.442 1.00 36.98 O ATOM 1168 CB LYS X 144 20.322 31.835 12.969 1.00 45.88 C ATOM 1169 CG LYS X 144 21.456 32.802 13.310 1.00 44.21 C ATOM 1170 CD LYS X 144 21.564 33.935 12.301 1.00 60.38 C ATOM 1171 CE LYS X 144 22.367 35.097 12.871 1.00 64.02 C ATOM 1172 NZ LYS X 144 21.607 35.828 13.930 1.00 63.74 N ATOM 0 H LYS X 144 21.895 29.918 13.453 1.00 47.88 H new ATOM 0 HA LYS X 144 19.893 31.043 14.854 1.00 46.43 H new ATOM 0 HB2 LYS X 144 20.485 31.452 12.093 1.00 45.88 H new ATOM 0 HB3 LYS X 144 19.490 32.330 12.912 1.00 45.88 H new ATOM 0 HG2 LYS X 144 21.309 33.171 14.195 1.00 44.21 H new ATOM 0 HG3 LYS X 144 22.295 32.317 13.341 1.00 44.21 H new ATOM 0 HD2 LYS X 144 21.987 33.612 11.490 1.00 60.38 H new ATOM 0 HD3 LYS X 144 20.677 34.240 12.056 1.00 60.38 H new ATOM 0 HE2 LYS X 144 23.200 34.764 13.241 1.00 64.02 H new ATOM 0 HE3 LYS X 144 22.599 35.711 12.157 1.00 64.02 H new ATOM 0 HZ1 LYS X 144 21.971 36.630 14.056 1.00 63.74 H new ATOM 0 HZ2 LYS X 144 20.760 35.923 13.675 1.00 63.74 H new ATOM 0 HZ3 LYS X 144 21.638 35.366 14.690 1.00 63.74 H new ATOM 1173 N ASN X 145 19.366 28.497 13.280 1.00 35.56 N ATOM 1174 CA ASN X 145 18.370 27.478 12.921 1.00 33.53 C ATOM 1175 C ASN X 145 18.543 26.255 13.800 1.00 36.74 C ATOM 1176 O ASN X 145 19.372 25.394 13.505 1.00 37.68 O ATOM 1177 CB ASN X 145 18.505 27.077 11.452 1.00 30.61 C ATOM 1178 CG ASN X 145 18.296 28.233 10.518 1.00 33.10 C ATOM 1179 OD1 ASN X 145 17.183 28.465 10.031 1.00 29.24 O ATOM 1180 ND2 ASN X 145 19.364 28.978 10.260 1.00 34.11 N ATOM 0 H ASN X 145 20.174 28.204 13.302 1.00 35.56 H new ATOM 0 HA ASN X 145 17.487 27.855 13.058 1.00 33.53 H new ATOM 0 HB2 ASN X 145 19.386 26.700 11.303 1.00 30.61 H new ATOM 0 HB3 ASN X 145 17.860 26.381 11.249 1.00 30.61 H new ATOM 0 HD21 ASN X 145 19.299 29.655 9.734 1.00 34.11 H new ATOM 0 HD22 ASN X 145 20.121 28.783 10.619 1.00 34.11 H new ATOM 1181 N THR X 146 17.762 26.173 14.870 1.00 34.17 N ATOM 1182 CA THR X 146 18.111 25.289 15.972 1.00 33.69 C ATOM 1183 C THR X 146 17.106 24.167 16.170 1.00 34.32 C ATOM 1184 O THR X 146 17.190 23.408 17.131 1.00 30.17 O ATOM 1185 CB THR X 146 18.268 26.095 17.286 1.00 39.67 C ATOM 1186 OG1 THR X 146 17.099 26.885 17.512 1.00 39.07 O ATOM 1187 CG2 THR X 146 19.460 27.034 17.181 1.00 44.94 C ATOM 0 H THR X 146 17.033 26.616 14.977 1.00 34.17 H new ATOM 0 HA THR X 146 18.958 24.877 15.738 1.00 33.69 H new ATOM 0 HB THR X 146 18.399 25.470 18.016 1.00 39.67 H new ATOM 0 HG1 THR X 146 17.116 27.560 17.012 1.00 39.07 H new ATOM 0 HG21 THR X 146 19.552 27.535 18.007 1.00 44.94 H new ATOM 0 HG22 THR X 146 20.266 26.518 17.025 1.00 44.94 H new ATOM 0 HG23 THR X 146 19.323 27.649 16.444 1.00 44.94 H new ATOM 1188 N ILE X 147 16.161 24.055 15.244 1.00 33.18 N ATOM 1189 CA ILE X 147 15.197 22.969 15.270 1.00 26.07 C ATOM 1190 C ILE X 147 15.378 22.129 13.997 1.00 26.77 C ATOM 1191 O ILE X 147 15.511 22.676 12.905 1.00 25.47 O ATOM 1192 CB ILE X 147 13.763 23.510 15.387 1.00 32.00 C ATOM 1193 CG1 ILE X 147 12.737 22.423 15.120 1.00 33.52 C ATOM 1194 CG2 ILE X 147 13.538 24.653 14.424 1.00 35.67 C ATOM 1195 CD1 ILE X 147 12.386 21.602 16.317 1.00 36.69 C ATOM 0 H ILE X 147 16.063 24.603 14.589 1.00 33.18 H new ATOM 0 HA ILE X 147 15.350 22.411 16.048 1.00 26.07 H new ATOM 0 HB ILE X 147 13.652 23.829 16.296 1.00 32.00 H new ATOM 0 HG12 ILE X 147 11.929 22.833 14.774 1.00 33.52 H new ATOM 0 HG13 ILE X 147 13.076 21.836 14.426 1.00 33.52 H new ATOM 0 HG21 ILE X 147 12.629 24.978 14.515 1.00 35.67 H new ATOM 0 HG22 ILE X 147 14.159 25.371 14.623 1.00 35.67 H new ATOM 0 HG23 ILE X 147 13.681 24.344 13.516 1.00 35.67 H new ATOM 0 HD11 ILE X 147 11.729 20.933 16.069 1.00 36.69 H new ATOM 0 HD12 ILE X 147 13.183 21.163 16.654 1.00 36.69 H new ATOM 0 HD13 ILE X 147 12.018 22.176 17.007 1.00 36.69 H new ATOM 1196 N PRO X 148 15.420 20.795 14.135 1.00 22.14 N ATOM 1197 CA PRO X 148 15.638 20.014 12.918 1.00 19.98 C ATOM 1198 C PRO X 148 14.468 20.131 11.972 1.00 22.46 C ATOM 1199 O PRO X 148 13.322 20.259 12.414 1.00 23.35 O ATOM 1200 CB PRO X 148 15.782 18.575 13.433 1.00 22.02 C ATOM 1201 CG PRO X 148 16.024 18.692 14.880 1.00 28.30 C ATOM 1202 CD PRO X 148 15.366 19.942 15.332 1.00 24.07 C ATOM 0 HA PRO X 148 16.410 20.317 12.415 1.00 19.98 H new ATOM 0 HB2 PRO X 148 14.980 18.059 13.254 1.00 22.02 H new ATOM 0 HB3 PRO X 148 16.516 18.119 12.993 1.00 22.02 H new ATOM 0 HG2 PRO X 148 15.663 17.925 15.351 1.00 28.30 H new ATOM 0 HG3 PRO X 148 16.975 18.718 15.068 1.00 28.30 H new ATOM 0 HD2 PRO X 148 14.453 19.784 15.620 1.00 24.07 H new ATOM 0 HD3 PRO X 148 15.834 20.344 16.081 1.00 24.07 H new ATOM 1203 N HIS X 149 14.750 20.108 10.678 1.00 21.34 N ATOM 1204 CA HIS X 149 13.712 20.319 9.686 1.00 19.53 C ATOM 1205 C HIS X 149 14.131 19.661 8.383 1.00 25.17 C ATOM 1206 O HIS X 149 15.321 19.549 8.097 1.00 24.73 O ATOM 1207 CB HIS X 149 13.443 21.819 9.483 1.00 19.59 C ATOM 1208 CG HIS X 149 14.671 22.634 9.198 1.00 20.96 C ATOM 1209 ND1 HIS X 149 15.608 22.937 10.162 1.00 21.17 N ATOM 1210 CD2 HIS X 149 15.101 23.226 8.058 1.00 24.03 C ATOM 1211 CE1 HIS X 149 16.568 23.671 9.627 1.00 21.72 C ATOM 1212 NE2 HIS X 149 16.281 23.863 8.352 1.00 25.96 N ATOM 0 H HIS X 149 15.535 19.972 10.355 1.00 21.34 H new ATOM 0 HA HIS X 149 12.886 19.917 9.996 1.00 19.53 H new ATOM 0 HB2 HIS X 149 12.818 21.928 8.750 1.00 19.59 H new ATOM 0 HB3 HIS X 149 13.012 22.170 10.278 1.00 19.59 H new ATOM 0 HD1 HIS X 149 15.573 22.687 10.984 1.00 21.17 H new ATOM 0 HD2 HIS X 149 14.676 23.205 7.231 1.00 24.03 H new ATOM 0 HE1 HIS X 149 17.317 23.996 10.072 1.00 21.72 H new ATOM 1213 N THR X 150 13.147 19.225 7.604 1.00 18.85 N ATOM 1214 CA THR X 150 13.400 18.529 6.348 1.00 19.04 C ATOM 1215 C THR X 150 12.518 19.123 5.252 1.00 20.08 C ATOM 1216 O THR X 150 11.314 19.330 5.457 1.00 22.51 O ATOM 1217 CB THR X 150 13.108 17.032 6.482 1.00 26.56 C ATOM 1218 OG1 THR X 150 13.779 16.514 7.637 1.00 28.93 O ATOM 1219 CG2 THR X 150 13.549 16.267 5.228 1.00 22.81 C ATOM 0 H THR X 150 12.313 19.325 7.789 1.00 18.85 H new ATOM 0 HA THR X 150 14.336 18.640 6.118 1.00 19.04 H new ATOM 0 HB THR X 150 12.151 16.913 6.582 1.00 26.56 H new ATOM 0 HG1 THR X 150 13.215 16.345 8.236 1.00 28.93 H new ATOM 0 HG21 THR X 150 13.353 15.323 5.339 1.00 22.81 H new ATOM 0 HG22 THR X 150 13.071 16.608 4.456 1.00 22.81 H new ATOM 0 HG23 THR X 150 14.503 16.385 5.095 1.00 22.81 H new ATOM 1220 N PHE X 151 13.115 19.393 4.099 1.00 20.98 N ATOM 1221 CA PHE X 151 12.373 19.883 2.954 1.00 20.25 C ATOM 1222 C PHE X 151 11.919 18.710 2.069 1.00 23.05 C ATOM 1223 O PHE X 151 12.745 17.983 1.502 1.00 21.69 O ATOM 1224 CB PHE X 151 13.236 20.889 2.169 1.00 18.49 C ATOM 1225 CG PHE X 151 13.717 22.054 2.998 1.00 21.65 C ATOM 1226 CD1 PHE X 151 12.833 23.053 3.397 1.00 19.75 C ATOM 1227 CD2 PHE X 151 15.043 22.161 3.372 1.00 22.43 C ATOM 1228 CE1 PHE X 151 13.261 24.132 4.157 1.00 20.34 C ATOM 1229 CE2 PHE X 151 15.479 23.239 4.137 1.00 23.01 C ATOM 1230 CZ PHE X 151 14.596 24.228 4.520 1.00 26.54 C ATOM 0 H PHE X 151 13.958 19.297 3.961 1.00 20.98 H new ATOM 0 HA PHE X 151 11.575 20.343 3.257 1.00 20.25 H new ATOM 0 HB2 PHE X 151 14.004 20.425 1.801 1.00 18.49 H new ATOM 0 HB3 PHE X 151 12.722 21.227 1.419 1.00 18.49 H new ATOM 0 HD1 PHE X 151 11.938 22.996 3.149 1.00 19.75 H new ATOM 0 HD2 PHE X 151 15.650 21.507 3.110 1.00 22.43 H new ATOM 0 HE1 PHE X 151 12.656 24.787 4.421 1.00 20.34 H new ATOM 0 HE2 PHE X 151 16.372 23.293 4.392 1.00 23.01 H new ATOM 0 HZ PHE X 151 14.894 24.954 5.018 1.00 26.54 H new ATOM 1231 N LEU X 152 10.609 18.520 1.964 1.00 19.86 N ATOM 1232 CA LEU X 152 10.047 17.476 1.113 1.00 22.35 C ATOM 1233 C LEU X 152 9.416 18.108 -0.117 1.00 23.41 C ATOM 1234 O LEU X 152 8.763 19.138 -0.012 1.00 23.37 O ATOM 1235 CB LEU X 152 8.985 16.661 1.848 1.00 20.42 C ATOM 1236 CG LEU X 152 9.303 16.005 3.188 1.00 26.70 C ATOM 1237 CD1 LEU X 152 8.075 15.222 3.670 1.00 25.27 C ATOM 1238 CD2 LEU X 152 10.493 15.086 3.078 1.00 27.34 C ATOM 0 H LEU X 152 10.022 18.990 2.382 1.00 19.86 H new ATOM 0 HA LEU X 152 10.770 16.881 0.859 1.00 22.35 H new ATOM 0 HB2 LEU X 152 8.223 17.244 1.988 1.00 20.42 H new ATOM 0 HB3 LEU X 152 8.697 15.957 1.246 1.00 20.42 H new ATOM 0 HG LEU X 152 9.524 16.699 3.829 1.00 26.70 H new ATOM 0 HD11 LEU X 152 8.272 14.803 4.522 1.00 25.27 H new ATOM 0 HD12 LEU X 152 7.325 15.828 3.774 1.00 25.27 H new ATOM 0 HD13 LEU X 152 7.850 14.539 3.019 1.00 25.27 H new ATOM 0 HD21 LEU X 152 10.672 14.684 3.942 1.00 27.34 H new ATOM 0 HD22 LEU X 152 10.305 14.389 2.430 1.00 27.34 H new ATOM 0 HD23 LEU X 152 11.268 15.593 2.791 1.00 27.34 H new ATOM 1239 N HIS X 153 9.598 17.480 -1.276 1.00 23.02 N ATOM 1240 CA HIS X 153 8.792 17.789 -2.449 1.00 22.61 C ATOM 1241 C HIS X 153 8.017 16.520 -2.738 1.00 20.92 C ATOM 1242 O HIS X 153 8.611 15.506 -3.099 1.00 23.28 O ATOM 1243 CB HIS X 153 9.661 18.204 -3.648 1.00 19.07 C ATOM 1244 CG HIS X 153 8.876 18.541 -4.877 1.00 23.30 C ATOM 1245 ND1 HIS X 153 9.410 18.468 -6.149 1.00 23.70 N ATOM 1246 CD2 HIS X 153 7.595 18.956 -5.029 1.00 18.64 C ATOM 1247 CE1 HIS X 153 8.487 18.816 -7.030 1.00 26.54 C ATOM 1248 NE2 HIS X 153 7.381 19.130 -6.376 1.00 22.51 N ATOM 0 H HIS X 153 10.188 16.867 -1.402 1.00 23.02 H new ATOM 0 HA HIS X 153 8.205 18.544 -2.289 1.00 22.61 H new ATOM 0 HB2 HIS X 153 10.198 18.972 -3.397 1.00 19.07 H new ATOM 0 HB3 HIS X 153 10.276 17.483 -3.855 1.00 19.07 H new ATOM 0 HD2 HIS X 153 6.976 19.097 -4.349 1.00 18.64 H new ATOM 0 HE1 HIS X 153 8.597 18.836 -7.953 1.00 26.54 H new ATOM 0 HE2 HIS X 153 6.647 19.399 -6.735 1.00 22.51 H new ATOM 1249 N LEU X 154 6.707 16.554 -2.520 1.00 17.01 N ATOM 1250 CA LEU X 154 5.842 15.395 -2.742 1.00 20.73 C ATOM 1251 C LEU X 154 5.022 15.595 -4.012 1.00 21.95 C ATOM 1252 O LEU X 154 4.519 16.687 -4.252 1.00 22.06 O ATOM 1253 CB LEU X 154 4.896 15.194 -1.558 1.00 22.74 C ATOM 1254 CG LEU X 154 5.529 15.065 -0.181 1.00 24.88 C ATOM 1255 CD1 LEU X 154 4.426 14.806 0.840 1.00 24.25 C ATOM 1256 CD2 LEU X 154 6.572 13.944 -0.150 1.00 22.71 C ATOM 0 H LEU X 154 6.291 17.252 -2.238 1.00 17.01 H new ATOM 0 HA LEU X 154 6.403 14.609 -2.835 1.00 20.73 H new ATOM 0 HB2 LEU X 154 4.277 15.941 -1.536 1.00 22.74 H new ATOM 0 HB3 LEU X 154 4.371 14.396 -1.724 1.00 22.74 H new ATOM 0 HG LEU X 154 5.992 15.889 0.037 1.00 24.88 H new ATOM 0 HD11 LEU X 154 4.816 14.722 1.724 1.00 24.25 H new ATOM 0 HD12 LEU X 154 3.799 15.546 0.833 1.00 24.25 H new ATOM 0 HD13 LEU X 154 3.961 13.986 0.613 1.00 24.25 H new ATOM 0 HD21 LEU X 154 6.958 13.885 0.738 1.00 22.71 H new ATOM 0 HD22 LEU X 154 6.148 13.101 -0.374 1.00 22.71 H new ATOM 0 HD23 LEU X 154 7.272 14.135 -0.794 1.00 22.71 H new ATOM 1257 N ILE X 155 4.886 14.550 -4.828 1.00 22.67 N ATOM 1258 CA ILE X 155 4.113 14.674 -6.060 1.00 21.24 C ATOM 1259 C ILE X 155 2.988 13.649 -6.012 1.00 25.53 C ATOM 1260 O ILE X 155 3.197 12.517 -5.600 1.00 27.63 O ATOM 1261 CB ILE X 155 4.986 14.470 -7.309 1.00 23.49 C ATOM 1262 CG1 ILE X 155 6.070 15.550 -7.386 1.00 24.38 C ATOM 1263 CG2 ILE X 155 4.124 14.533 -8.567 1.00 31.43 C ATOM 1264 CD1 ILE X 155 6.945 15.396 -8.577 1.00 32.58 C ATOM 0 H ILE X 155 5.228 13.773 -4.689 1.00 22.67 H new ATOM 0 HA ILE X 155 3.752 15.572 -6.124 1.00 21.24 H new ATOM 0 HB ILE X 155 5.407 13.599 -7.247 1.00 23.49 H new ATOM 0 HG12 ILE X 155 5.650 16.424 -7.408 1.00 24.38 H new ATOM 0 HG13 ILE X 155 6.613 15.516 -6.583 1.00 24.38 H new ATOM 0 HG21 ILE X 155 4.683 14.403 -9.349 1.00 31.43 H new ATOM 0 HG22 ILE X 155 3.450 13.836 -8.533 1.00 31.43 H new ATOM 0 HG23 ILE X 155 3.691 15.399 -8.620 1.00 31.43 H new ATOM 0 HD11 ILE X 155 7.612 16.100 -8.582 1.00 32.58 H new ATOM 0 HD12 ILE X 155 7.386 14.533 -8.545 1.00 32.58 H new ATOM 0 HD13 ILE X 155 6.408 15.455 -9.383 1.00 32.58 H new ATOM 1265 N ARG X 156 1.782 14.057 -6.389 1.00 28.61 N ATOM 1266 CA ARG X 156 0.634 13.162 -6.285 1.00 32.95 C ATOM 1267 C ARG X 156 0.815 11.933 -7.180 1.00 34.16 C ATOM 1268 O ARG X 156 1.138 12.074 -8.347 1.00 33.59 O ATOM 1269 CB ARG X 156 -0.638 13.919 -6.658 1.00 30.52 C ATOM 1270 CG ARG X 156 -1.907 13.121 -6.517 1.00 41.63 C ATOM 1271 CD ARG X 156 -3.080 13.890 -7.105 1.00 34.36 C ATOM 1272 NE ARG X 156 -3.236 15.208 -6.494 1.00 28.58 N ATOM 1273 CZ ARG X 156 -3.783 15.412 -5.298 1.00 32.92 C ATOM 1274 NH1 ARG X 156 -4.202 14.387 -4.572 1.00 27.73 N ATOM 1275 NH2 ARG X 156 -3.893 16.645 -4.824 1.00 30.65 N ATOM 0 H ARG X 156 1.607 14.838 -6.704 1.00 28.61 H new ATOM 0 HA ARG X 156 0.561 12.850 -5.369 1.00 32.95 H new ATOM 0 HB2 ARG X 156 -0.704 14.711 -6.101 1.00 30.52 H new ATOM 0 HB3 ARG X 156 -0.562 14.223 -7.576 1.00 30.52 H new ATOM 0 HG2 ARG X 156 -1.812 12.268 -6.969 1.00 41.63 H new ATOM 0 HG3 ARG X 156 -2.074 12.929 -5.581 1.00 41.63 H new ATOM 0 HD2 ARG X 156 -2.952 13.991 -8.061 1.00 34.36 H new ATOM 0 HD3 ARG X 156 -3.895 13.379 -6.981 1.00 34.36 H new ATOM 0 HE ARG X 156 -2.958 15.893 -6.933 1.00 28.58 H new ATOM 0 HH11 ARG X 156 -4.121 13.585 -4.873 1.00 27.73 H new ATOM 0 HH12 ARG X 156 -4.555 14.523 -3.800 1.00 27.73 H new ATOM 0 HH21 ARG X 156 -3.611 17.311 -5.289 1.00 30.65 H new ATOM 0 HH22 ARG X 156 -4.246 16.779 -4.051 1.00 30.65 H new ATOM 1276 N LYS X 157 0.625 10.732 -6.638 1.00 32.74 N ATOM 1277 CA LYS X 157 0.743 9.528 -7.466 1.00 40.56 C ATOM 1278 C LYS X 157 -0.430 9.384 -8.447 1.00 46.43 C ATOM 1279 O LYS X 157 -0.259 9.028 -9.624 1.00 48.18 O ATOM 1280 CB LYS X 157 0.837 8.279 -6.598 1.00 35.78 C ATOM 1281 CG LYS X 157 2.096 8.171 -5.774 1.00 35.36 C ATOM 1282 CD LYS X 157 2.080 6.885 -4.970 1.00 35.23 C ATOM 1283 CE LYS X 157 3.274 6.791 -4.059 1.00 37.10 C ATOM 1284 NZ LYS X 157 3.163 5.578 -3.204 1.00 48.43 N ATOM 1285 OXT LYS X 157 -1.584 9.625 -8.088 1.00 49.01 O ATOM 0 H LYS X 157 0.431 10.591 -5.812 1.00 32.74 H new ATOM 0 HA LYS X 157 1.558 9.624 -7.983 1.00 40.56 H new ATOM 0 HB2 LYS X 157 0.073 8.258 -6.001 1.00 35.78 H new ATOM 0 HB3 LYS X 157 0.772 7.498 -7.170 1.00 35.78 H new ATOM 0 HG2 LYS X 157 2.874 8.189 -6.354 1.00 35.36 H new ATOM 0 HG3 LYS X 157 2.168 8.933 -5.178 1.00 35.36 H new ATOM 0 HD2 LYS X 157 1.266 6.840 -4.444 1.00 35.23 H new ATOM 0 HD3 LYS X 157 2.070 6.125 -5.573 1.00 35.23 H new ATOM 0 HE2 LYS X 157 4.089 6.753 -4.584 1.00 37.10 H new ATOM 0 HE3 LYS X 157 3.330 7.584 -3.503 1.00 37.10 H new ATOM 0 HZ1 LYS X 157 3.871 5.527 -2.667 1.00 48.43 H new ATOM 0 HZ2 LYS X 157 2.422 5.627 -2.713 1.00 48.43 H new ATOM 0 HZ3 LYS X 157 3.129 4.853 -3.719 1.00 48.43 H new TER 1286 LYS X 157 HETATM 1287 O3' XNP X 201 -5.627 32.070 13.090 1.00 23.70 O HETATM 1288 C3' XNP X 201 -5.475 32.001 11.646 1.00 27.66 C HETATM 1289 C2' XNP X 201 -4.150 32.536 11.127 1.00 28.81 C HETATM 1290 O2' XNP X 201 -3.015 32.619 12.026 1.00 26.94 O HETATM 1291 CAA XNP X 201 -2.033 31.700 11.353 1.00 25.79 C HETATM 1292 CAB XNP X 201 -0.570 32.028 11.449 1.00 27.11 C HETATM 1293 CAC XNP X 201 0.124 30.851 10.733 1.00 21.35 C HETATM 1294 CAD XNP X 201 -0.453 30.550 9.475 1.00 25.71 C HETATM 1295 CBT XNP X 201 0.219 29.793 8.508 1.00 21.66 C HETATM 1296 OBV XNP X 201 -0.289 29.590 7.394 1.00 26.55 O HETATM 1297 NBU XNP X 201 1.431 29.358 8.852 1.00 24.82 N HETATM 1298 CAE XNP X 201 -1.748 30.944 9.154 1.00 23.82 C HETATM 1299 NAF XNP X 201 -2.458 31.741 9.948 1.00 25.72 N HETATM 1300 C1' XNP X 201 -3.696 31.220 10.445 1.00 34.65 C HETATM 1301 O4' XNP X 201 -4.818 30.760 9.795 1.00 25.52 O HETATM 1302 C4' XNP X 201 -5.386 30.547 11.116 1.00 25.24 C HETATM 1303 C5' XNP X 201 -6.730 29.854 11.143 1.00 27.88 C HETATM 1304 O5' XNP X 201 -7.555 30.481 10.192 1.00 22.15 O HETATM 1305 PAN XNP X 201 -7.697 29.938 8.688 1.00 24.37 P HETATM 1306 OBP XNP X 201 -9.312 29.878 8.453 1.00 25.21 O HETATM 1307 OBO XNP X 201 -7.059 28.627 8.460 1.00 22.61 O HETATM 1308 OAO XNP X 201 -7.188 31.188 7.844 1.00 24.84 O HETATM 1309 PAP XNP X 201 -6.865 31.111 6.285 1.00 21.20 P HETATM 1310 OBQ XNP X 201 -5.848 32.199 5.803 1.00 22.92 O HETATM 1311 OBR XNP X 201 -7.610 30.190 5.403 1.00 24.71 O HETATM 1312 OAQ XNP X 201 -7.999 32.303 6.077 1.00 19.13 O HETATM 1313 CAR XNP X 201 -9.447 32.073 6.192 1.00 20.61 C HETATM 1314 CAS XNP X 201 -10.258 33.129 5.379 1.00 22.45 C HETATM 1315 OAW XNP X 201 -10.057 32.985 3.944 1.00 22.58 O HETATM 1316 CAT XNP X 201 -11.763 32.917 5.480 1.00 22.33 C HETATM 1317 OAZ XNP X 201 -12.285 33.405 6.726 1.00 20.92 O HETATM 1318 CAU XNP X 201 -12.219 33.787 4.317 1.00 22.45 C HETATM 1319 OAY XNP X 201 -11.899 35.142 4.501 1.00 21.88 O HETATM 1320 PBA XNP X 201 -13.179 36.104 4.900 1.00 22.49 P HETATM 1321 OBB XNP X 201 -12.535 37.557 4.990 1.00 23.38 O HETATM 1322 OBC XNP X 201 -13.595 35.660 6.368 1.00 20.95 O HETATM 1323 OBD XNP X 201 -14.268 35.974 3.901 1.00 25.81 O HETATM 1324 CAV XNP X 201 -11.337 33.207 3.265 1.00 22.87 C HETATM 1325 NAX XNP X 201 -12.030 31.996 2.815 1.00 29.07 N HETATM 1326 CBE XNP X 201 -11.163 30.832 2.633 1.00 20.84 C HETATM 1327 NBF XNP X 201 -12.003 30.047 1.671 1.00 24.64 N HETATM 1328 CBG XNP X 201 -12.792 30.899 1.000 1.00 25.60 C HETATM 1329 CBH XNP X 201 -12.399 32.158 1.426 1.00 25.18 C HETATM 1330 NBL XNP X 201 -13.271 33.272 0.979 1.00 27.23 N HETATM 1331 CBK XNP X 201 -14.146 33.071 -0.087 1.00 25.94 C HETATM 1332 NBJ XNP X 201 -14.356 31.761 -0.551 1.00 28.72 N HETATM 1333 CBI XNP X 201 -13.669 30.744 0.006 1.00 29.01 C HETATM 1334 NBM XNP X 201 -13.846 29.502 -0.413 1.00 28.12 N HETATM 1335 C4 U75 X 202 6.097 29.276 5.748 1.00 18.81 C HETATM 1336 C5 U75 X 202 4.837 29.334 5.166 1.00 18.46 C HETATM 1337 C6 U75 X 202 4.522 28.403 4.179 1.00 20.32 C HETATM 1338 N1 U75 X 202 5.411 27.479 3.818 1.00 18.99 N HETATM 1339 N3 U75 X 202 6.956 28.328 5.358 1.00 18.46 N HETATM 1340 CAI U75 X 202 7.294 31.289 6.090 1.00 25.53 C HETATM 1341 CAH U75 X 202 6.487 30.163 6.742 1.00 19.63 C HETATM 1342 C2 U75 X 202 6.621 27.444 4.403 1.00 19.60 C HETATM 1343 NAJ U75 X 202 7.508 26.522 4.022 1.00 18.08 N HETATM 1344 NAG U75 X 202 3.306 28.448 3.638 1.00 18.70 N HETATM 1345 CAK U75 X 202 3.879 30.336 5.586 1.00 21.49 C HETATM 1346 CAL U75 X 202 3.136 31.155 5.939 1.00 24.85 C HETATM 1347 CAM U75 X 202 2.215 32.208 6.415 1.00 24.00 C HETATM 1348 CAN U75 X 202 2.896 33.128 7.217 1.00 23.19 C HETATM 1349 CAO U75 X 202 4.132 33.628 6.837 1.00 21.03 C HETATM 1350 CAS U75 X 202 2.319 33.569 8.414 1.00 26.70 C HETATM 1351 CAR U75 X 202 2.960 34.495 9.234 1.00 28.63 C HETATM 1352 OBB U75 X 202 2.341 34.881 10.407 1.00 28.35 O HETATM 1353 CBC U75 X 202 3.152 35.607 11.334 1.00 26.41 C HETATM 1354 CAQ U75 X 202 4.213 34.984 8.850 1.00 24.32 C HETATM 1355 CAP U75 X 202 4.792 34.563 7.647 1.00 23.14 C HETATM 1356 CAT U75 X 202 6.052 35.038 7.238 1.00 25.49 C HETATM 1357 CAU U75 X 202 7.023 35.389 8.168 1.00 22.89 C HETATM 1358 CAV U75 X 202 8.273 35.847 7.751 1.00 32.69 C HETATM 1359 CAW U75 X 202 8.570 35.950 6.389 1.00 34.20 C HETATM 1360 CAZ U75 X 202 9.832 36.405 5.970 1.00 40.54 C HETATM 1361 OBD U75 X 202 10.559 37.082 6.744 1.00 33.36 O HETATM 1362 OBA U75 X 202 10.249 36.116 4.822 1.00 33.30 O HETATM 1363 CAX U75 X 202 7.600 35.589 5.453 1.00 29.04 C HETATM 1364 CAY U75 X 202 6.346 35.136 5.874 1.00 27.58 C HETATM 1365 C1 GOL X 203 2.305 13.055 8.417 1.00 44.95 C HETATM 1366 O1 GOL X 203 2.122 12.401 7.180 1.00 46.04 O HETATM 1367 C2 GOL X 203 0.988 13.704 8.834 1.00 38.73 C HETATM 1368 O2 GOL X 203 0.653 13.416 10.176 1.00 40.95 O HETATM 1369 C3 GOL X 203 -0.133 13.320 7.872 1.00 33.06 C HETATM 1370 O3 GOL X 203 -1.271 12.758 8.506 1.00 37.84 O HETATM 0 HO3 GOL X 203 -1.656 12.232 7.976 1.00 37.84 H new HETATM 0 HO2 GOL X 203 -0.127 13.105 10.210 1.00 40.95 H new HETATM 0 HO1 GOL X 203 2.844 12.042 6.943 1.00 46.04 H new HETATM 0 H32 GOL X 203 -0.406 14.108 7.377 1.00 33.06 H new HETATM 0 H31 GOL X 203 0.212 12.685 7.225 1.00 33.06 H new HETATM 0 H2 GOL X 203 1.107 14.665 8.783 1.00 38.73 H new HETATM 0 H12 GOL X 203 2.595 12.421 9.092 1.00 44.95 H new HETATM 0 H11 GOL X 203 3.001 13.727 8.341 1.00 44.95 H new HETATM 1371 O HOH X 301 -9.827 42.807 6.852 1.00 40.61 O HETATM 1372 O HOH X 302 11.804 31.899 -7.849 1.00 37.10 O HETATM 1373 O HOH X 303 -12.544 45.189 5.177 1.00 32.45 O HETATM 1374 O HOH X 304 -13.377 39.589 6.198 1.00 26.72 O HETATM 1375 O HOH X 305 -11.254 30.513 9.913 1.00 29.92 O HETATM 1376 O HOH X 306 -5.499 14.347 -1.817 1.00 32.86 O HETATM 1377 O HOH X 307 15.928 28.596 15.079 1.00 38.84 O HETATM 1378 O HOH X 308 19.433 30.769 7.176 1.00 45.17 O HETATM 1379 O HOH X 309 15.568 13.280 4.332 1.00 37.23 O HETATM 1380 O HOH X 310 10.026 28.012 -7.941 1.00 28.44 O HETATM 1381 O HOH X 311 19.789 31.375 9.433 1.00 39.46 O HETATM 1382 O HOH X 312 11.625 30.212 -10.260 1.00 39.28 O HETATM 1383 O HOH X 313 15.368 25.579 -0.182 1.00 40.14 O HETATM 1384 O HOH X 314 5.251 31.797 -12.540 1.00 34.49 O HETATM 1385 O HOH X 315 4.636 21.103 22.825 1.00 32.47 O HETATM 1386 O HOH X 316 0.776 37.958 13.259 1.00 31.27 O HETATM 1387 O HOH X 317 -6.501 44.761 5.647 1.00 42.37 O HETATM 1388 O HOH X 318 9.030 34.094 19.758 1.00 47.32 O HETATM 1389 O HOH X 319 0.880 27.851 5.817 1.00 19.97 O HETATM 1390 O HOH X 320 -11.686 41.497 5.551 1.00 33.00 O HETATM 1391 O HOH X 321 2.721 32.846 -11.174 1.00 31.96 O HETATM 1392 O HOH X 322 -5.485 29.793 20.138 1.00 27.15 O HETATM 1393 O HOH X 323 -11.396 23.870 9.359 1.00 37.82 O HETATM 1394 O HOH X 324 -7.190 24.185 14.105 1.00 29.75 O HETATM 1395 O HOH X 325 0.477 47.118 0.898 1.00 40.03 O HETATM 1396 O HOH X 326 -7.075 15.187 5.220 1.00 38.53 O HETATM 1397 O HOH X 327 10.991 21.675 -7.792 1.00 40.87 O HETATM 1398 O HOH X 328 9.806 33.873 3.445 1.00 30.55 O HETATM 1399 O HOH X 329 9.683 35.186 1.001 1.00 32.87 O HETATM 1400 O HOH X 330 12.039 11.952 4.119 1.00 35.33 O HETATM 1401 O HOH X 331 6.278 22.309 -8.779 1.00 28.01 O HETATM 1402 O HOH X 332 -16.429 31.379 -2.217 1.00 31.78 O HETATM 1403 O HOH X 333 -17.014 35.166 -1.856 1.00 36.92 O HETATM 1404 O HOH X 334 10.810 37.624 9.371 1.00 40.30 O HETATM 1405 O HOH X 335 13.252 18.652 -1.179 1.00 23.19 O HETATM 1406 O HOH X 336 8.501 27.669 -10.484 1.00 30.31 O HETATM 1407 O HOH X 337 3.253 27.446 20.307 1.00 32.07 O HETATM 1408 O HOH X 338 9.095 28.858 9.178 1.00 25.05 O HETATM 1409 O HOH X 339 -5.221 14.572 2.455 1.00 37.73 O HETATM 1410 O HOH X 340 -3.761 24.804 21.425 1.00 29.45 O HETATM 1411 O HOH X 341 21.178 18.167 3.865 1.00 30.35 O HETATM 1412 O HOH X 342 2.318 19.773 17.804 1.00 23.40 O HETATM 1413 O HOH X 343 -7.664 42.948 -6.407 1.00 38.78 O HETATM 1414 O HOH X 344 4.954 25.343 21.477 1.00 28.29 O HETATM 1415 O HOH X 345 -0.639 34.388 -11.374 1.00 32.74 O HETATM 1416 O HOH X 346 -5.079 36.841 11.015 1.00 27.34 O HETATM 1417 O HOH X 347 -13.243 31.624 8.610 1.00 36.00 O HETATM 1418 O HOH X 348 -18.131 46.634 -1.126 1.00 37.58 O HETATM 1419 O HOH X 349 15.734 33.904 6.215 1.00 41.45 O HETATM 1420 O HOH X 350 -3.376 11.841 1.225 1.00 31.43 O HETATM 1421 O HOH X 351 -9.781 18.395 2.845 1.00 41.73 O HETATM 1422 O HOH X 352 5.103 14.221 6.933 1.00 36.78 O HETATM 1423 O HOH X 353 9.621 13.256 10.561 1.00 45.68 O HETATM 1424 O HOH X 354 -6.306 44.577 -3.067 1.00 42.53 O HETATM 1425 O HOH X 355 5.548 7.404 -0.925 1.00 41.18 O HETATM 1426 O HOH X 356 -16.418 44.881 4.582 1.00 32.29 O HETATM 1427 O HOH X 357 0.145 29.552 -16.974 1.00 42.48 O HETATM 1428 O HOH X 358 -12.046 24.148 5.101 1.00 36.49 O HETATM 1429 O HOH X 359 -2.157 16.372 15.334 1.00 23.68 O HETATM 1430 O HOH X 360 -3.342 31.259 14.660 1.00 27.34 O HETATM 1431 O HOH X 361 -5.160 46.037 -5.028 1.00 37.23 O HETATM 1432 O HOH X 362 -6.534 20.708 8.670 1.00 23.23 O HETATM 1433 O HOH X 363 2.265 32.535 19.024 1.00 42.10 O HETATM 1434 O HOH X 364 3.611 27.253 9.137 1.00 30.62 O HETATM 1435 O HOH X 365 9.180 34.442 -13.108 1.00 35.53 O HETATM 1436 O HOH X 366 10.995 44.862 -4.678 1.00 44.59 O HETATM 1437 O HOH X 367 9.876 21.739 0.388 1.00 19.64 O HETATM 1438 O HOH X 368 12.220 17.920 -6.226 1.00 29.98 O HETATM 1439 O HOH X 369 8.160 7.903 -2.570 1.00 37.12 O HETATM 1440 O HOH X 370 -13.044 34.598 11.984 1.00 31.31 O HETATM 1441 O HOH X 371 -15.209 29.302 -3.279 1.00 31.56 O HETATM 1442 O HOH X 372 7.680 43.761 -4.858 1.00 35.74 O HETATM 1443 O HOH X 373 -12.588 43.011 -2.353 1.00 39.09 O HETATM 1444 O HOH X 374 17.574 19.303 10.363 1.00 22.07 O HETATM 1445 O HOH X 375 -9.210 19.455 -0.791 1.00 29.82 O HETATM 1446 O HOH X 376 12.448 38.014 -3.114 1.00 33.16 O HETATM 1447 O HOH X 377 8.325 33.058 14.259 1.00 40.06 O HETATM 1448 O HOH X 378 8.138 24.146 2.237 1.00 18.07 O HETATM 1449 O HOH X 379 3.272 27.012 6.862 1.00 18.90 O HETATM 1450 O HOH X 380 10.001 30.785 11.182 1.00 26.17 O HETATM 1451 O HOH X 381 -8.327 27.612 16.275 1.00 42.20 O HETATM 1452 O HOH X 382 12.943 15.496 -7.553 1.00 26.20 O HETATM 1453 O HOH X 383 4.446 36.686 -10.614 1.00 37.81 O HETATM 1454 O HOH X 384 20.066 21.935 3.602 1.00 39.92 O HETATM 1455 O HOH X 385 5.631 34.404 13.415 1.00 30.78 O HETATM 1456 O HOH X 386 16.405 32.674 -0.519 1.00 39.00 O HETATM 1457 O HOH X 387 17.158 27.282 2.723 1.00 36.50 O HETATM 1458 O HOH X 388 -1.639 21.778 19.713 1.00 26.22 O HETATM 1459 O HOH X 389 9.108 24.995 -8.205 1.00 35.11 O HETATM 1460 O HOH X 390 11.629 38.941 -0.748 1.00 42.34 O HETATM 1461 O HOH X 391 16.201 16.783 9.497 1.00 33.70 O HETATM 1462 O HOH X 392 14.979 13.670 7.299 1.00 42.27 O HETATM 1463 O HOH X 393 -3.802 14.055 0.486 1.00 38.70 O HETATM 1464 O HOH X 394 19.917 24.452 5.040 1.00 39.12 O HETATM 1465 O HOH X 395 -3.737 27.680 -11.412 1.00 43.01 O HETATM 1466 O HOH X 396 -14.781 30.855 4.031 1.00 38.57 O HETATM 1467 O HOH X 397 -0.455 19.541 18.427 1.00 26.49 O HETATM 1468 O HOH X 398 14.527 38.869 -4.865 1.00 46.53 O HETATM 1469 O HOH X 399 11.138 37.729 1.159 1.00 34.18 O HETATM 1470 O HOH X 400 5.440 18.707 -10.287 1.00 40.65 O HETATM 1471 O HOH X 401 -18.356 42.080 2.349 1.00 32.54 O HETATM 1472 O HOH X 402 -5.028 36.185 -13.607 1.00 39.38 O HETATM 1473 O HOH X 403 18.107 12.704 4.198 1.00 37.59 O HETATM 1474 O HOH X 404 15.155 19.910 -2.918 1.00 40.27 O HETATM 1475 O HOH X 405 14.881 34.895 3.623 1.00 32.95 O HETATM 1476 O HOH X 406 6.870 22.517 -11.265 1.00 43.05 O HETATM 1477 O HOH X 407 5.929 29.911 -14.620 1.00 43.91 O HETATM 1478 O HOH X 408 11.594 20.952 -1.606 1.00 25.00 O HETATM 1479 O HOH X 409 -2.115 15.689 19.963 1.00 38.44 O HETATM 1480 O HOH X 410 -15.642 29.015 2.859 1.00 40.51 O HETATM 1481 O HOH X 411 14.278 33.722 13.661 1.00 42.20 O HETATM 1482 O HOH X 412 12.064 36.771 -10.069 1.00 40.47 O HETATM 1483 O HOH X 413 -2.078 17.455 17.754 1.00 25.35 O HETATM 1484 O HOH X 414 10.065 33.402 11.693 1.00 36.00 O HETATM 1485 O HOH X 415 5.799 25.359 24.152 1.00 31.40 O HETATM 1486 O HOH X 416 -9.895 26.388 12.695 1.00 43.50 O HETATM 1487 O HOH X 417 -13.276 22.172 2.645 1.00 44.89 O HETATM 1488 O HOH X 418 22.438 17.384 6.361 1.00 34.68 O HETATM 1489 O HOH X 419 13.100 22.481 -3.160 1.00 41.71 O HETATM 1490 O HOH X 420 6.772 35.899 11.525 1.00 35.79 O CONECT 1287 1288 CONECT 1288 1287 1289 1302 CONECT 1289 1288 1290 1300 CONECT 1290 1289 1291 CONECT 1291 1290 1292 1299 CONECT 1292 1291 1293 CONECT 1293 1292 1294 CONECT 1294 1293 1295 1298 CONECT 1295 1294 1296 1297 CONECT 1296 1295 CONECT 1297 1295 CONECT 1298 1294 1299 CONECT 1299 1291 1298 1300 CONECT 1300 1289 1299 1301 CONECT 1301 1300 1302 CONECT 1302 1288 1301 1303 CONECT 1303 1302 1304 CONECT 1304 1303 1305 CONECT 1305 1304 1306 1307 1308 CONECT 1306 1305 CONECT 1307 1305 CONECT 1308 1305 1309 CONECT 1309 1308 1310 1311 1312 CONECT 1310 1309 CONECT 1311 1309 CONECT 1312 1309 1313 CONECT 1313 1312 1314 CONECT 1314 1313 1315 1316 CONECT 1315 1314 1324 CONECT 1316 1314 1317 1318 CONECT 1317 1316 CONECT 1318 1316 1319 1324 CONECT 1319 1318 1320 CONECT 1320 1319 1321 1322 1323 CONECT 1321 1320 CONECT 1322 1320 CONECT 1323 1320 CONECT 1324 1315 1318 1325 CONECT 1325 1324 1326 1329 CONECT 1326 1325 1327 CONECT 1327 1326 1328 CONECT 1328 1327 1329 1333 CONECT 1329 1325 1328 1330 CONECT 1330 1329 1331 CONECT 1331 1330 1332 CONECT 1332 1331 1333 CONECT 1333 1328 1332 1334 CONECT 1334 1333 CONECT 1335 1336 1339 1341 CONECT 1336 1335 1337 1345 CONECT 1337 1336 1338 1344 CONECT 1338 1337 1342 CONECT 1339 1335 1342 CONECT 1340 1341 CONECT 1341 1335 1340 CONECT 1342 1338 1339 1343 CONECT 1343 1342 CONECT 1344 1337 CONECT 1345 1336 1346 CONECT 1346 1345 1347 CONECT 1347 1346 1348 CONECT 1348 1347 1349 1350 CONECT 1349 1348 1355 CONECT 1350 1348 1351 CONECT 1351 1350 1352 1354 CONECT 1352 1351 1353 CONECT 1353 1352 CONECT 1354 1351 1355 CONECT 1355 1349 1354 1356 CONECT 1356 1355 1357 1364 CONECT 1357 1356 1358 CONECT 1358 1357 1359 CONECT 1359 1358 1360 1363 CONECT 1360 1359 1361 1362 CONECT 1361 1360 CONECT 1362 1360 CONECT 1363 1359 1364 CONECT 1364 1356 1363 CONECT 1365 1366 1367 CONECT 1366 1365 CONECT 1367 1365 1368 1369 CONECT 1368 1367 CONECT 1369 1367 1370 CONECT 1370 1369 END