USER MOD reduce.3.24.130724 H: found=0, std=0, add=1286, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1155 hydrogens (0 hets) HEADER OXYGEN TRANSPORT 16-AUG-85 2LHB TITLE REFINEMENT OF A MOLECULAR MODEL FOR LAMPREY HEMOGLOBIN FROM PETROMYZON TITLE 2 MARINUS COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEMOGLOBIN V (CYANO MET); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PETROMYZON MARINUS; SOURCE 3 ORGANISM_COMMON: SEA LAMPREY; SOURCE 4 ORGANISM_TAXID: 7757 KEYWDS OXYGEN TRANSPORT EXPDTA X-RAY DIFFRACTION AUTHOR R.B.HONZATKO,W.A.HENDRICKSON,W.E.LOVE REVDAT 4 13-JUL-11 2LHB 1 VERSN REVDAT 3 24-FEB-09 2LHB 1 VERSN REVDAT 2 15-APR-91 2LHB 1 HET SITE REVDAT 1 21-JAN-86 2LHB 0 SPRSDE 21-JAN-86 2LHB 1LHB JRNL AUTH R.B.HONZATKO,W.A.HENDRICKSON,W.E.LOVE JRNL TITL REFINEMENT OF A MOLECULAR MODEL FOR LAMPREY HEMOGLOBIN FROM JRNL TITL 2 PETROMYZON MARINUS. JRNL REF J.MOL.BIOL. V. 184 147 1985 JRNL REFN ISSN 0022-2836 JRNL PMID 4032476 JRNL DOI 10.1016/0022-2836(85)90049-X REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH W.A.HENDRICKSON,W.E.LOVE,J.KARLE REMARK 1 TITL CRYSTAL STRUCTURE ANALYSIS OF SEA LAMPREY HEMOGLOBIN AT 2 REMARK 1 TITL 2 ANGSTROMS RESOLUTION REMARK 1 REF J.MOL.BIOL. V. 74 331 1973 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH W.A.HENDRICKSON,W.E.LOVE REMARK 1 TITL STRUCTURE OF LAMPREY HAEMOGLOBIN REMARK 1 REF NATURE NEW BIOL. V. 232 197 1971 REMARK 1 REFN ISSN 0369-4887 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.142 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1152 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 45 REMARK 3 SOLVENT ATOMS : 215 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 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.014 REMARK 3 BOND ANGLES (DEGREES) : 1.50 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 ELEVEN RESIDUES ARE PRESENTED WITH ALTERNATE CONFORMATIONS REMARK 3 BASED ON DENSITY. LYS 18 HAS NO DENSITY BEYOND CB AND LYS REMARK 3 54 HAS NO DENSITY BEYOND CG. THE SIDE CHAINS OF THESE TWO REMARK 3 RESIDUES WERE MODELED USING REASONABLE STEREOCHEMICAL REMARK 3 CRITERIA AND ARE PRESENTED WITH ALTERNATE CONFORMATIONS. REMARK 3 SEE THE JRNL REFERENCE ABOVE FOR FURTHER DETAILS. IN ALL REMARK 3 OF THESE RESIDUES HYDROGEN ATOMS ARE INCLUDED FOR ONE REMARK 3 CONFORMATION ONLY. REMARK 3 REMARK 3 RESIDUE 29 HAS AN EQUAL MIX OF THR AND ASP ACCORDING TO REMARK 3 SEQUENCE WORK. THIS RESIDUE IS PRESENTED BELOW WITH REMARK 3 CONFORMATION A REPRESENTING THR AND CONFORMATION B REMARK 3 REPRESENTING ASP. PLEASE NOTE, HOWEVER, THAT BOTH REMARK 3 CONFORMATIONS HAVE BEEN ASSIGNED RESIDUE NAME THR ON THE REMARK 3 ATOM AND SEQRES RECORDS BELOW. REMARK 4 REMARK 4 2LHB COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL 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 (%): 40.59 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.07 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 22.28500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 15.67000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 48.31000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 15.67000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 22.28500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 48.31000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 HE2 HIS A 105 FE HEM A 151 1.10 REMARK 500 HG SER A 67 H VAL A 70 1.19 REMARK 500 HG SER A 102 H ALA A 148 1.31 REMARK 500 HB1 ALA A 24 HD3 PRO A 25 1.39 REMARK 500 HH22 ARG A 20 O HOH A 352 1.42 REMARK 500 HD22 ASN A 100 HZ1 LYS A 104 1.45 REMARK 500 HE2 LYS A 54 HB3 ASP A 69 1.46 REMARK 500 H VAL A 3 HG SER A 139 1.48 REMARK 500 HG2 LYS A 93 HZ2 LYS A 97 1.49 REMARK 500 HD21 ASN A 100 O HOH A 154 1.53 REMARK 500 HE1 TYR A 27 HD21 ASN A 79 1.54 REMARK 500 HH21 ARG A 99 O HOH A 168 1.55 REMARK 500 HD13 LEU A 38 HB1 ALA A 74 1.56 REMARK 500 OE1 GLU A 75 O HOH A 365 2.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 HH22 ARG A 99 O HOH A 194 1556 1.29 REMARK 500 HZ3 LYS A 65 HD22 ASN A 79 2564 1.38 REMARK 500 OE1 GLU A 31 HZ3 LYS A 40 2565 1.40 REMARK 500 HH TYR A 27 HZ1 LYS A 65 2565 1.44 REMARK 500 HG1 THR A 91 NZ LYS A 107 4555 1.55 REMARK 500 NH2 ARG A 99 O HOH A 194 1556 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 20 NE - CZ - NH2 ANGL. DEV. = 4.2 DEGREES REMARK 500 ARG A 71 NE - CZ - NH1 ANGL. DEV. = 7.2 DEGREES REMARK 500 ARG A 71 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 ARG A 76 CD - NE - CZ ANGL. DEV. = 9.2 DEGREES REMARK 500 ARG A 76 NE - CZ - NH2 ANGL. DEV. = 3.8 DEGREES REMARK 500 MET A 88 CG - SD - CE ANGL. DEV. = 10.5 DEGREES REMARK 500 ASP A 112 CB - CG - OD1 ANGL. DEV. = 7.0 DEGREES REMARK 500 ASP A 125 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 128 86.77 -169.89 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 231 DISTANCE = 5.03 ANGSTROMS REMARK 525 HOH A 323 DISTANCE = 5.91 ANGSTROMS REMARK 525 HOH A 354 DISTANCE = 5.95 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A 151 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYN A 150 C REMARK 620 2 HEM A 151 NA 86.2 REMARK 620 3 HEM A 151 NB 86.3 89.5 REMARK 620 4 HEM A 151 NC 89.0 175.2 90.3 REMARK 620 5 HEM A 151 ND 89.7 89.1 175.8 90.8 REMARK 620 6 CYN A 150 N 11.4 95.4 79.6 79.8 96.6 REMARK 620 7 HIS A 105 NE2 174.8 98.8 95.2 86.0 89.0 164.8 REMARK 620 N 1 2 3 4 5 6 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: HEM REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 999 REMARK 999 SEQUENCE REMARK 999 THERE ARE TWO CHANGES IN THE SEQUENCE IN THIS ENTRY FROM REMARK 999 THAT DETERMINED CHEMICALLY (S.L.LI, A.RIGGS, J.BIOL.CHEM., REMARK 999 V. 245, P. 6149 (1970)). LEU 98 AND ARG 99 WERE INSERTED REMARK 999 AFTER LYS 97, WHILE MET 138 AND SER 139 HAVE REPLACED AN REMARK 999 ARG. DBREF 2LHB A 1 149 UNP P02208 GLB5_PETMA 1 149 SEQADV 2LHB GLU A 63 UNP P02208 GLN 63 CONFLICT SEQADV 2LHB ASP A 82 UNP P02208 ASN 82 CONFLICT SEQADV 2LHB ASN A 100 UNP P02208 ASP 100 CONFLICT SEQADV 2LHB GLU A 114 UNP P02208 GLN 114 CONFLICT SEQRES 1 A 149 PRO ILE VAL ASP THR GLY SER VAL ALA PRO LEU SER ALA SEQRES 2 A 149 ALA GLU LYS THR LYS ILE ARG SER ALA TRP ALA PRO VAL SEQRES 3 A 149 TYR SER THR TYR GLU THR SER GLY VAL ASP ILE LEU VAL SEQRES 4 A 149 LYS PHE PHE THR SER THR PRO ALA ALA GLN GLU PHE PHE SEQRES 5 A 149 PRO LYS PHE LYS GLY LEU THR THR ALA ASP GLU LEU LYS SEQRES 6 A 149 LYS SER ALA ASP VAL ARG TRP HIS ALA GLU ARG ILE ILE SEQRES 7 A 149 ASN ALA VAL ASP ASP ALA VAL ALA SER MET ASP ASP THR SEQRES 8 A 149 GLU LYS MET SER MET LYS LEU ARG ASN LEU SER GLY LYS SEQRES 9 A 149 HIS ALA LYS SER PHE GLN VAL ASP PRO GLU TYR PHE LYS SEQRES 10 A 149 VAL LEU ALA ALA VAL ILE ALA ASP THR VAL ALA ALA GLY SEQRES 11 A 149 ASP ALA GLY PHE GLU LYS LEU MET SER MET ILE CYS ILE SEQRES 12 A 149 LEU LEU ARG SER ALA TYR HET CYN A 150 2 HET HEM A 151 43 HETNAM CYN CYANIDE ION HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 CYN C N 1- FORMUL 3 HEM C34 H32 FE N4 O4 FORMUL 4 HOH *215(H2 O) HELIX 1 A ALA A 13 SER A 28 1 16 HELIX 2 B TYR A 30 SER A 44 1 15 HELIX 3 C PRO A 46 PHE A 51 5 6 HELIX 4 D ALA A 61 LYS A 66 1 6 HELIX 5 E ALA A 68 ALA A 86 1 19 HELIX 6 F THR A 91 PHE A 109 1 19 HELIX 7 G PRO A 113 VAL A 127 1 15 HELIX 8 H ALA A 132 ALA A 148 1 17 LINK C CYN A 150 FE HEM A 151 1555 1555 1.90 LINK FE HEM A 151 N CYN A 150 1555 1555 2.99 LINK FE HEM A 151 NE2 HIS A 105 1555 1555 2.10 SITE *** HEM 16 PHE A 52 HIS A 73 ARG A 76 ILE A 77 SITE *** HEM 16 LEU A 101 SER A 102 LYS A 104 HIS A 105 SITE *** HEM 16 ALA A 106 PHE A 109 VAL A 111 TYR A 115 SITE *** HEM 16 PHE A 116 LEU A 119 TYR A 149 HEM A 151 CRYST1 44.570 96.620 31.340 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.022437 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010350 0.000000 0.00000 SCALE3 0.000000 0.000000 0.031908 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 105 HIS HE2 : A 105 HIS NE2 : A 151 HEMFE :(H bumps) USER MOD Set 1.1: A 100 ASN : amide:sc= -1.9! K(o=-5.7!,f=4.2) USER MOD Set 1.2: A 104 LYS NZ :NH3+ -154:sc= -3.8! (180deg=0) USER MOD Set 2.1: A 93 LYS NZ A:NH3+ -121:sc= 0.39 (180deg=-0.0338) USER MOD Set 2.2: A 97 LYS NZ B:NH3+ -171:sc= 0.48 (180deg=0.446) USER MOD Set 3.1: A 93 LYS NZ B:NH3+ -172:sc= 0.116 (180deg=0.0955) USER MOD Set 3.2: A 97 LYS NZ A:NH3+ -120:sc= -0.963 (180deg=-3.38!) USER MOD Set 4.1: A 44 SER OG : rot -83:sc= 0.678 USER MOD Set 4.2: A 45 THR OG1 : rot 160:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 170:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= 0.912 (180deg=0.207) USER MOD Single : A 17 THR OG1 : rot 80:sc= 1.3 USER MOD Single : A 18 LYS NZ A:NH3+ 163:sc= 0.0028 (180deg=0) USER MOD Single : A 18 LYS NZ B:NH3+ -125:sc= 0.218 (180deg=-2.88!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 30:sc= 1.05 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1A: rot -70:sc= 1.27 USER MOD Single : A 30 TYR OH A: rot -90:sc= 1.24 USER MOD Single : A 30 TYR OH B: rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -161:sc= 0.132 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -83:sc= 0.692 USER MOD Single : A 49 GLN : amide:sc= 0.928 K(o=0.93,f=-0.28) USER MOD Single : A 54 LYS NZ A:NH3+ -122:sc= 0.365 (180deg=-1.18!) USER MOD Single : A 54 LYS NZ B:NH3+ -177:sc= 0.485 (180deg=0.21) USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= 0.0544 (180deg=0.00948) USER MOD Single : A 59 THR OG1 : rot -102:sc= 1.28 USER MOD Single : A 60 THR OG1 : rot 146:sc= -2.25 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 100:sc= 0.212 USER MOD Single : A 73 HIS : no HD1:sc= 1.49 K(o=1.5,f=-2.2) USER MOD Single : A 79 ASN : amide:sc= -3.06! K(o=-3.1!,f=-0.43) USER MOD Single : A 87 SER OG : rot 97:sc= 0.859 USER MOD Single : A 88 MET CE :methyl -178:sc= -0.0723 (180deg=-0.0968) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl -137:sc= -0.117 (180deg=-1.38) USER MOD Single : A 95 SER OG : rot 96:sc= 0.465 USER MOD Single : A 96 MET CE :methyl -163:sc= -0.147 (180deg=-0.741) USER MOD Single : A 102 SER OG : rot 49:sc= 2.16 USER MOD Single : A 107 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0.0837 K(o=0.084,f=-0.44) USER MOD Single : A 115 TYR OH A: rot 0:sc= -1.36 USER MOD Single : A 115 TYR OH B: rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 157:sc= 0.0828 (180deg=0.0194) USER MOD Single : A 126 THR OG1 : rot 82:sc= 1.11 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 MET CE :methyl 157:sc= -16.8! (180deg=-19!) USER MOD Single : A 139 SER OG : rot 61:sc= 1.68 USER MOD Single : A 140 MET CE A:methyl -179:sc= -4.39! (180deg=-4.45!) USER MOD Single : A 140 MET CE B:methyl 151:sc= -0.652 (180deg=-2.94!) USER MOD Single : A 142 CYS SG : rot 150:sc= -0.29 USER MOD Single : A 147 SER OG : rot -79:sc= 1.32 USER MOD Single : A 149 TYR OH : rot -19:sc= 0.309 USER MOD Single : A 151 HEM CMA :methyl 150:sc= -0.722 (180deg=-0.722) USER MOD Single : A 151 HEM CMB :methyl 150:sc= -0.0302 (180deg=-0.0302) USER MOD Single : A 151 HEM CMC :methyl -30:sc= -0.497 (180deg=-3.39!) USER MOD Single : A 151 HEM CMD :methyl 150:sc= -0.0936 (180deg=-0.0936) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 19.941 26.130 -20.741 1.00 22.70 N ATOM 2 CA PRO A 1 18.708 26.361 -19.960 1.00 22.33 C ATOM 3 C PRO A 1 19.023 26.223 -18.477 1.00 20.27 C ATOM 4 O PRO A 1 20.137 25.811 -18.100 1.00 21.59 O ATOM 5 CB PRO A 1 17.768 25.275 -20.486 1.00 22.44 C ATOM 6 CG PRO A 1 18.702 24.103 -20.656 1.00 22.90 C ATOM 7 CD PRO A 1 20.053 24.699 -21.080 1.00 23.41 C ATOM 0 H2 PRO A 1 20.628 26.380 -20.288 1.00 22.70 H new ATOM 0 H3 PRO A 1 19.928 26.603 -21.459 1.00 22.70 H new ATOM 0 HA PRO A 1 18.315 27.243 -20.054 1.00 22.33 H new ATOM 0 HB2 PRO A 1 17.052 25.081 -19.861 1.00 22.44 H new ATOM 0 HB3 PRO A 1 17.351 25.531 -21.324 1.00 22.44 H new ATOM 0 HG2 PRO A 1 18.787 23.603 -19.829 1.00 22.90 H new ATOM 0 HG3 PRO A 1 18.368 23.487 -21.327 1.00 22.90 H new ATOM 0 HD2 PRO A 1 20.789 24.280 -20.608 1.00 23.41 H new ATOM 0 HD3 PRO A 1 20.215 24.571 -22.028 1.00 23.41 H new ATOM 17 N ILE A 2 18.054 26.549 -17.666 1.00 18.47 N ATOM 18 CA ILE A 2 18.192 26.511 -16.208 1.00 16.73 C ATOM 19 C ILE A 2 17.709 25.198 -15.655 1.00 16.10 C ATOM 20 O ILE A 2 16.610 24.769 -16.031 1.00 15.52 O ATOM 21 CB ILE A 2 17.460 27.779 -15.616 1.00 18.75 C ATOM 22 CG1 ILE A 2 18.366 28.985 -15.921 1.00 19.33 C ATOM 23 CG2 ILE A 2 17.217 27.586 -14.090 1.00 19.17 C ATOM 24 CD1 ILE A 2 17.855 30.281 -16.502 1.00 18.55 C ATOM 0 H ILE A 2 17.278 26.805 -17.935 1.00 18.47 H new ATOM 0 HA ILE A 2 19.123 26.558 -15.940 1.00 16.73 H new ATOM 0 HB ILE A 2 16.586 27.919 -16.013 1.00 18.75 H new ATOM 0 HG12 ILE A 2 18.807 29.214 -15.088 1.00 19.33 H new ATOM 0 HG13 ILE A 2 19.053 28.665 -16.527 1.00 19.33 H new ATOM 0 HG21 ILE A 2 16.767 28.368 -13.732 1.00 19.17 H new ATOM 0 HG22 ILE A 2 16.664 26.802 -13.947 1.00 19.17 H new ATOM 0 HG23 ILE A 2 18.068 27.468 -13.639 1.00 19.17 H new ATOM 0 HD11 ILE A 2 18.594 30.900 -16.612 1.00 18.55 H new ATOM 0 HD12 ILE A 2 17.446 30.110 -17.365 1.00 18.55 H new ATOM 0 HD13 ILE A 2 17.197 30.667 -15.903 1.00 18.55 H new ATOM 36 N VAL A 3 18.509 24.598 -14.778 1.00 16.28 N ATOM 37 CA VAL A 3 18.181 23.295 -14.166 1.00 16.56 C ATOM 38 C VAL A 3 18.164 23.488 -12.658 1.00 16.02 C ATOM 39 O VAL A 3 18.826 24.442 -12.230 1.00 16.89 O ATOM 40 CB VAL A 3 19.210 22.221 -14.595 1.00 17.73 C ATOM 41 CG1 VAL A 3 19.393 22.183 -16.097 1.00 17.51 C ATOM 42 CG2 VAL A 3 20.520 22.438 -13.846 1.00 19.39 C ATOM 0 H VAL A 3 19.259 24.928 -14.516 1.00 16.28 H new ATOM 0 HA VAL A 3 17.313 22.982 -14.464 1.00 16.56 H new ATOM 0 HB VAL A 3 18.869 21.345 -14.353 1.00 17.73 H new ATOM 0 HG11 VAL A 3 20.043 21.500 -16.327 1.00 17.51 H new ATOM 0 HG12 VAL A 3 18.545 21.978 -16.521 1.00 17.51 H new ATOM 0 HG13 VAL A 3 19.708 23.046 -16.407 1.00 17.51 H new ATOM 0 HG21 VAL A 3 21.163 21.764 -14.116 1.00 19.39 H new ATOM 0 HG22 VAL A 3 20.869 23.319 -14.053 1.00 19.39 H new ATOM 0 HG23 VAL A 3 20.362 22.369 -12.891 1.00 19.39 H new ATOM 52 N ASP A 4 17.483 22.620 -11.954 1.00 16.13 N ATOM 53 CA ASP A 4 17.380 22.773 -10.471 1.00 16.94 C ATOM 54 C ASP A 4 17.898 21.539 -9.758 1.00 16.19 C ATOM 55 O ASP A 4 17.550 21.377 -8.588 1.00 16.55 O ATOM 56 CB ASP A 4 15.941 23.132 -10.044 1.00 16.23 C ATOM 57 CG ASP A 4 14.890 22.192 -10.566 1.00 18.89 C ATOM 58 OD1 ASP A 4 15.182 21.188 -11.251 1.00 18.33 O ATOM 59 OD2 ASP A 4 13.687 22.429 -10.318 1.00 17.03 O ATOM 0 H ASP A 4 17.071 21.939 -12.281 1.00 16.13 H new ATOM 0 HA ASP A 4 17.946 23.514 -10.205 1.00 16.94 H new ATOM 0 HB2 ASP A 4 15.896 23.146 -9.075 1.00 16.23 H new ATOM 0 HB3 ASP A 4 15.738 24.030 -10.350 1.00 16.23 H new ATOM 64 N THR A 5 18.677 20.761 -10.481 1.00 17.20 N ATOM 65 CA THR A 5 19.285 19.520 -9.980 1.00 17.91 C ATOM 66 C THR A 5 20.675 19.295 -10.571 1.00 17.72 C ATOM 67 O THR A 5 21.075 19.858 -11.575 1.00 18.08 O ATOM 68 CB THR A 5 18.421 18.217 -10.288 1.00 18.54 C ATOM 69 OG1 THR A 5 18.418 18.075 -11.760 1.00 18.64 O ATOM 70 CG2 THR A 5 17.038 18.285 -9.649 1.00 17.31 C ATOM 0 H THR A 5 18.879 20.934 -11.299 1.00 17.20 H new ATOM 0 HA THR A 5 19.333 19.646 -9.019 1.00 17.91 H new ATOM 0 HB THR A 5 18.803 17.419 -9.889 1.00 18.54 H new ATOM 0 HG1 THR A 5 17.973 17.396 -11.975 1.00 18.64 H new ATOM 0 HG21 THR A 5 16.544 17.477 -9.859 1.00 17.31 H new ATOM 0 HG22 THR A 5 17.130 18.367 -8.687 1.00 17.31 H new ATOM 0 HG23 THR A 5 16.559 19.054 -9.995 1.00 17.31 H new ATOM 78 N GLY A 6 21.367 18.389 -9.911 1.00 18.31 N ATOM 79 CA GLY A 6 22.739 18.048 -10.321 1.00 18.95 C ATOM 80 C GLY A 6 23.611 19.092 -9.583 1.00 20.36 C ATOM 81 O GLY A 6 23.207 19.639 -8.550 1.00 21.42 O ATOM 0 H GLY A 6 21.075 17.956 -9.227 1.00 18.31 H new ATOM 0 HA2 GLY A 6 22.973 17.142 -10.064 1.00 18.95 H new ATOM 0 HA3 GLY A 6 22.849 18.108 -11.283 1.00 18.95 H new ATOM 85 N SER A 7 24.737 19.314 -10.210 1.00 20.71 N ATOM 86 CA SER A 7 25.765 20.233 -9.699 1.00 21.64 C ATOM 87 C SER A 7 26.174 21.095 -10.875 1.00 21.74 C ATOM 88 O SER A 7 26.048 20.721 -12.038 1.00 21.56 O ATOM 89 CB SER A 7 26.906 19.459 -9.057 1.00 20.67 C ATOM 90 OG SER A 7 27.761 18.875 -10.005 1.00 22.48 O ATOM 0 H SER A 7 24.945 18.939 -10.955 1.00 20.71 H new ATOM 0 HA SER A 7 25.439 20.806 -8.987 1.00 21.64 H new ATOM 0 HB2 SER A 7 27.418 20.056 -8.489 1.00 20.67 H new ATOM 0 HB3 SER A 7 26.541 18.766 -8.485 1.00 20.67 H new ATOM 0 HG SER A 7 28.376 18.460 -9.610 1.00 22.48 H new ATOM 96 N VAL A 8 26.614 22.285 -10.504 1.00 24.80 N ATOM 97 CA VAL A 8 27.019 23.300 -11.488 1.00 25.03 C ATOM 98 C VAL A 8 28.539 23.420 -11.435 1.00 25.55 C ATOM 99 O VAL A 8 29.070 23.314 -10.316 1.00 24.75 O ATOM 100 CB VAL A 8 26.319 24.627 -11.118 1.00 26.52 C ATOM 101 CG1 VAL A 8 26.809 25.793 -11.974 1.00 25.45 C ATOM 102 CG2 VAL A 8 24.825 24.487 -11.182 1.00 25.70 C ATOM 0 H VAL A 8 26.689 22.535 -9.685 1.00 24.80 H new ATOM 0 HA VAL A 8 26.762 23.063 -12.393 1.00 25.03 H new ATOM 0 HB VAL A 8 26.559 24.832 -10.201 1.00 26.52 H new ATOM 0 HG11 VAL A 8 26.347 26.604 -11.711 1.00 25.45 H new ATOM 0 HG12 VAL A 8 27.764 25.909 -11.847 1.00 25.45 H new ATOM 0 HG13 VAL A 8 26.628 25.607 -12.909 1.00 25.45 H new ATOM 0 HG21 VAL A 8 24.410 25.332 -10.946 1.00 25.70 H new ATOM 0 HG22 VAL A 8 24.561 24.238 -12.082 1.00 25.70 H new ATOM 0 HG23 VAL A 8 24.537 23.801 -10.560 1.00 25.70 H new ATOM 112 N ALA A 9 29.073 23.610 -12.630 1.00 26.24 N ATOM 113 CA ALA A 9 30.533 23.801 -12.784 1.00 27.47 C ATOM 114 C ALA A 9 30.774 25.265 -12.383 1.00 28.05 C ATOM 115 O ALA A 9 29.920 26.132 -12.544 1.00 28.61 O ATOM 116 CB ALA A 9 31.002 23.493 -14.173 1.00 26.25 C ATOM 0 H ALA A 9 28.626 23.634 -13.364 1.00 26.24 H new ATOM 0 HA ALA A 9 31.043 23.191 -12.229 1.00 27.47 H new ATOM 0 HB1 ALA A 9 31.961 23.631 -14.229 1.00 26.25 H new ATOM 0 HB2 ALA A 9 30.795 22.570 -14.387 1.00 26.25 H new ATOM 0 HB3 ALA A 9 30.554 24.079 -14.803 1.00 26.25 H new ATOM 122 N PRO A 10 31.933 25.499 -11.817 1.00 29.15 N ATOM 123 CA PRO A 10 32.318 26.833 -11.341 1.00 28.17 C ATOM 124 C PRO A 10 32.287 27.854 -12.452 1.00 26.89 C ATOM 125 O PRO A 10 32.394 27.523 -13.641 1.00 25.85 O ATOM 126 CB PRO A 10 33.702 26.615 -10.716 1.00 29.30 C ATOM 127 CG PRO A 10 34.238 25.402 -11.458 1.00 30.29 C ATOM 128 CD PRO A 10 32.996 24.491 -11.580 1.00 29.80 C ATOM 0 HA PRO A 10 31.702 27.206 -10.691 1.00 28.17 H new ATOM 0 HB2 PRO A 10 34.274 27.389 -10.836 1.00 29.30 H new ATOM 0 HB3 PRO A 10 33.642 26.452 -9.762 1.00 29.30 H new ATOM 0 HG2 PRO A 10 34.594 25.642 -12.328 1.00 30.29 H new ATOM 0 HG3 PRO A 10 34.954 24.969 -10.968 1.00 30.29 H new ATOM 0 HD2 PRO A 10 33.074 23.860 -12.312 1.00 29.80 H new ATOM 0 HD3 PRO A 10 32.839 23.974 -10.775 1.00 29.80 H new ATOM 136 N LEU A 11 32.072 29.103 -12.019 1.00 25.61 N ATOM 137 CA LEU A 11 32.061 30.219 -12.949 1.00 25.09 C ATOM 138 C LEU A 11 33.568 30.578 -13.170 1.00 23.77 C ATOM 139 O LEU A 11 34.395 30.452 -12.280 1.00 22.95 O ATOM 140 CB LEU A 11 31.256 31.403 -12.500 1.00 27.61 C ATOM 141 CG LEU A 11 29.751 31.499 -12.655 1.00 29.92 C ATOM 142 CD1 LEU A 11 29.161 30.413 -13.539 1.00 27.78 C ATOM 143 CD2 LEU A 11 29.111 31.480 -11.259 1.00 29.76 C ATOM 0 H LEU A 11 31.933 29.316 -11.197 1.00 25.61 H new ATOM 0 HA LEU A 11 31.614 29.961 -13.771 1.00 25.09 H new ATOM 0 HB2 LEU A 11 31.441 31.516 -11.555 1.00 27.61 H new ATOM 0 HB3 LEU A 11 31.627 32.174 -12.956 1.00 27.61 H new ATOM 0 HG LEU A 11 29.553 32.333 -13.108 1.00 29.92 H new ATOM 0 HD11 LEU A 11 28.200 30.530 -13.597 1.00 27.78 H new ATOM 0 HD12 LEU A 11 29.548 30.472 -14.426 1.00 27.78 H new ATOM 0 HD13 LEU A 11 29.358 29.543 -13.158 1.00 27.78 H new ATOM 0 HD21 LEU A 11 28.147 31.541 -11.344 1.00 29.76 H new ATOM 0 HD22 LEU A 11 29.344 30.654 -10.807 1.00 29.76 H new ATOM 0 HD23 LEU A 11 29.438 32.233 -10.743 1.00 29.76 H new ATOM 155 N SER A 12 33.787 30.950 -14.382 1.00 22.81 N ATOM 156 CA SER A 12 35.077 31.360 -14.942 1.00 22.91 C ATOM 157 C SER A 12 35.093 32.884 -14.819 1.00 22.93 C ATOM 158 O SER A 12 33.961 33.434 -14.732 1.00 23.47 O ATOM 159 CB SER A 12 35.135 30.910 -16.386 1.00 21.14 C ATOM 160 OG SER A 12 34.303 31.744 -17.152 1.00 23.26 O ATOM 0 H SER A 12 33.155 30.981 -14.965 1.00 22.81 H new ATOM 0 HA SER A 12 35.843 30.974 -14.490 1.00 22.91 H new ATOM 0 HB2 SER A 12 36.047 30.951 -16.715 1.00 21.14 H new ATOM 0 HB3 SER A 12 34.848 29.987 -16.462 1.00 21.14 H new ATOM 0 HG SER A 12 34.432 31.595 -17.969 1.00 23.26 H new ATOM 166 N ALA A 13 36.258 33.481 -14.809 1.00 21.77 N ATOM 167 CA ALA A 13 36.328 34.951 -14.651 1.00 21.23 C ATOM 168 C ALA A 13 35.560 35.657 -15.748 1.00 20.68 C ATOM 169 O ALA A 13 34.994 36.746 -15.511 1.00 21.94 O ATOM 170 CB ALA A 13 37.770 35.413 -14.532 1.00 22.47 C ATOM 0 H ALA A 13 37.016 33.083 -14.889 1.00 21.77 H new ATOM 0 HA ALA A 13 35.892 35.197 -13.820 1.00 21.23 H new ATOM 0 HB1 ALA A 13 37.794 36.377 -14.429 1.00 22.47 H new ATOM 0 HB2 ALA A 13 38.181 34.996 -13.759 1.00 22.47 H new ATOM 0 HB3 ALA A 13 38.258 35.161 -15.332 1.00 22.47 H new ATOM 176 N ALA A 14 35.518 35.042 -16.923 1.00 19.46 N ATOM 177 CA ALA A 14 34.788 35.676 -18.040 1.00 19.72 C ATOM 178 C ALA A 14 33.290 35.743 -17.709 1.00 19.22 C ATOM 179 O ALA A 14 32.563 36.729 -17.930 1.00 19.16 O ATOM 180 CB ALA A 14 35.122 34.948 -19.334 1.00 20.27 C ATOM 0 H ALA A 14 35.887 34.286 -17.101 1.00 19.46 H new ATOM 0 HA ALA A 14 35.067 36.596 -18.169 1.00 19.72 H new ATOM 0 HB1 ALA A 14 34.645 35.361 -20.070 1.00 20.27 H new ATOM 0 HB2 ALA A 14 36.077 35.001 -19.498 1.00 20.27 H new ATOM 0 HB3 ALA A 14 34.858 34.018 -19.260 1.00 20.27 H new ATOM 186 N GLU A 15 32.794 34.653 -17.131 1.00 18.53 N ATOM 187 CA GLU A 15 31.357 34.567 -16.786 1.00 17.89 C ATOM 188 C GLU A 15 30.961 35.595 -15.760 1.00 17.14 C ATOM 189 O GLU A 15 29.995 36.389 -15.881 1.00 18.54 O ATOM 190 CB GLU A 15 31.131 33.118 -16.348 1.00 17.85 C ATOM 191 CG GLU A 15 31.104 32.158 -17.575 1.00 18.85 C ATOM 192 CD GLU A 15 31.151 30.707 -17.208 1.00 18.79 C ATOM 193 OE1 GLU A 15 31.676 30.288 -16.204 1.00 19.49 O ATOM 194 OE2 GLU A 15 30.574 29.987 -18.047 1.00 19.53 O ATOM 0 H GLU A 15 33.257 33.957 -16.929 1.00 18.53 H new ATOM 0 HA GLU A 15 30.783 34.778 -17.539 1.00 17.89 H new ATOM 0 HB2 GLU A 15 31.835 32.848 -15.738 1.00 17.85 H new ATOM 0 HB3 GLU A 15 30.294 33.051 -15.863 1.00 17.85 H new ATOM 0 HG2 GLU A 15 30.299 32.327 -18.090 1.00 18.85 H new ATOM 0 HG3 GLU A 15 31.857 32.362 -18.151 1.00 18.85 H new ATOM 201 N LYS A 16 31.767 35.630 -14.702 1.00 15.83 N ATOM 202 CA LYS A 16 31.611 36.525 -13.551 1.00 12.52 C ATOM 203 C LYS A 16 31.525 37.940 -14.094 1.00 12.48 C ATOM 204 O LYS A 16 30.560 38.624 -13.784 1.00 10.41 O ATOM 205 CB LYS A 16 32.680 36.323 -12.501 1.00 10.76 C ATOM 206 CG LYS A 16 32.465 34.940 -11.786 1.00 15.29 C ATOM 207 CD LYS A 16 33.778 34.554 -11.107 1.00 19.07 C ATOM 208 CE LYS A 16 33.621 33.863 -9.787 1.00 22.36 C ATOM 209 NZ LYS A 16 34.930 33.895 -9.032 1.00 23.25 N ATOM 0 H LYS A 16 32.450 35.112 -14.630 1.00 15.83 H new ATOM 0 HA LYS A 16 30.795 36.322 -13.068 1.00 12.52 H new ATOM 0 HB2 LYS A 16 33.558 36.352 -12.911 1.00 10.76 H new ATOM 0 HB3 LYS A 16 32.647 37.042 -11.851 1.00 10.76 H new ATOM 0 HG2 LYS A 16 31.751 35.003 -11.133 1.00 15.29 H new ATOM 0 HG3 LYS A 16 32.203 34.262 -12.429 1.00 15.29 H new ATOM 0 HD2 LYS A 16 34.279 33.976 -11.703 1.00 19.07 H new ATOM 0 HD3 LYS A 16 34.309 35.355 -10.978 1.00 19.07 H new ATOM 0 HE2 LYS A 16 32.927 34.297 -9.266 1.00 22.36 H new ATOM 0 HE3 LYS A 16 33.340 32.945 -9.925 1.00 22.36 H new ATOM 0 HZ1 LYS A 16 35.044 33.124 -8.602 1.00 23.25 H new ATOM 0 HZ2 LYS A 16 35.600 34.016 -9.605 1.00 23.25 H new ATOM 0 HZ3 LYS A 16 34.918 34.563 -8.444 1.00 23.25 H new ATOM 223 N THR A 17 32.495 38.288 -14.936 1.00 11.81 N ATOM 224 CA THR A 17 32.557 39.588 -15.590 1.00 12.05 C ATOM 225 C THR A 17 31.286 39.958 -16.340 1.00 12.37 C ATOM 226 O THR A 17 30.780 41.066 -16.145 1.00 10.30 O ATOM 227 CB THR A 17 33.758 39.709 -16.645 1.00 15.21 C ATOM 228 OG1 THR A 17 34.952 39.309 -15.895 1.00 17.74 O ATOM 229 CG2 THR A 17 33.847 41.144 -17.175 1.00 12.18 C ATOM 0 H THR A 17 33.145 37.765 -15.145 1.00 11.81 H new ATOM 0 HA THR A 17 32.693 40.196 -14.846 1.00 12.05 H new ATOM 0 HB THR A 17 33.640 39.150 -17.429 1.00 15.21 H new ATOM 0 HG1 THR A 17 34.988 38.471 -15.851 1.00 17.74 H new ATOM 0 HG21 THR A 17 34.575 41.209 -17.812 1.00 12.18 H new ATOM 0 HG22 THR A 17 33.014 41.380 -17.612 1.00 12.18 H new ATOM 0 HG23 THR A 17 34.008 41.752 -16.437 1.00 12.18 H new ATOM 237 N LYS A 18 30.820 39.020 -17.192 1.00 13.77 N ATOM 238 CA LYS A 18 29.601 39.361 -17.955 1.00 14.51 C ATOM 239 C LYS A 18 28.348 39.395 -17.101 1.00 14.20 C ATOM 240 O LYS A 18 27.430 40.213 -17.297 1.00 13.23 O ATOM 241 CB LYS A 18 29.413 38.541 -19.219 1.00 18.07 C ATOM 242 CG ALYS A 18 28.617 39.497 -20.184 0.50 21.59 C ATOM 243 CG BLYS A 18 30.491 37.460 -19.353 0.50 18.44 C ATOM 244 CD ALYS A 18 28.250 38.849 -21.486 0.50 23.87 C ATOM 245 CD BLYS A 18 30.272 36.539 -20.538 0.50 20.02 C ATOM 246 CE ALYS A 18 26.991 39.451 -22.112 0.50 23.92 C ATOM 247 CE BLYS A 18 29.306 35.415 -20.230 0.50 21.71 C ATOM 248 NZ ALYS A 18 26.467 38.442 -23.093 0.50 25.14 N ATOM 249 NZ BLYS A 18 29.903 34.086 -20.554 0.50 21.65 N ATOM 0 H LYS A 18 31.162 38.244 -17.335 1.00 13.77 H new ATOM 0 HA LYS A 18 29.753 40.271 -18.255 1.00 14.51 H new ATOM 0 HB2ALYS A 18 30.265 38.280 -19.602 0.50 18.07 H new ATOM 0 HB2BLYS A 18 28.536 38.126 -19.209 0.50 18.07 H new ATOM 0 HB3ALYS A 18 28.919 37.725 -19.042 0.50 18.07 H new ATOM 0 HB3BLYS A 18 29.441 39.126 -19.993 0.50 18.07 H new ATOM 0 HG2ALYS A 18 27.809 39.796 -19.739 0.50 18.44 H new ATOM 0 HG2BLYS A 18 31.358 37.886 -19.438 0.50 18.44 H new ATOM 0 HG3ALYS A 18 29.152 40.286 -20.362 0.50 18.44 H new ATOM 0 HG3BLYS A 18 30.513 36.931 -18.540 0.50 18.44 H new ATOM 0 HD2ALYS A 18 28.990 38.938 -22.107 0.50 20.02 H new ATOM 0 HD2BLYS A 18 29.934 37.055 -21.287 0.50 20.02 H new ATOM 0 HD3ALYS A 18 28.113 37.899 -21.343 0.50 20.02 H new ATOM 0 HD3BLYS A 18 31.123 36.163 -20.813 0.50 20.02 H new ATOM 0 HE2ALYS A 18 26.328 39.645 -21.431 0.50 21.71 H new ATOM 0 HE2BLYS A 18 29.062 35.443 -19.292 0.50 21.71 H new ATOM 0 HE3ALYS A 18 27.195 40.289 -22.556 0.50 21.71 H new ATOM 0 HE3BLYS A 18 28.489 35.538 -20.739 0.50 21.71 H new ATOM 0 HZ1ALYS A 18 25.622 38.635 -23.294 0.50 21.65 H new ATOM 0 HZ1BLYS A 18 29.365 33.647 -21.111 0.50 21.65 H new ATOM 0 HZ2ALYS A 18 26.960 38.464 -23.833 0.50 21.65 H new ATOM 0 HZ2BLYS A 18 30.697 34.203 -20.939 0.50 21.65 H new ATOM 0 HZ3ALYS A 18 26.508 37.629 -22.733 0.50 21.65 H new ATOM 0 HZ3BLYS A 18 30.003 33.615 -19.806 0.50 21.65 H new ATOM 263 N ILE A 19 28.319 38.473 -16.102 1.00 13.97 N ATOM 264 CA ILE A 19 27.132 38.486 -15.195 1.00 12.36 C ATOM 265 C ILE A 19 27.020 39.882 -14.573 1.00 11.76 C ATOM 266 O ILE A 19 25.963 40.482 -14.573 1.00 9.14 O ATOM 267 CB ILE A 19 27.265 37.340 -14.165 1.00 10.20 C ATOM 268 CG1 ILE A 19 27.005 35.981 -14.887 1.00 9.85 C ATOM 269 CG2 ILE A 19 26.410 37.426 -12.890 1.00 11.61 C ATOM 270 CD1 ILE A 19 27.542 34.808 -13.999 1.00 11.55 C ATOM 0 H ILE A 19 28.920 37.880 -15.940 1.00 13.97 H new ATOM 0 HA ILE A 19 26.304 38.321 -15.672 1.00 12.36 H new ATOM 0 HB ILE A 19 28.171 37.423 -13.829 1.00 10.20 H new ATOM 0 HG12 ILE A 19 26.056 35.867 -15.051 1.00 9.85 H new ATOM 0 HG13 ILE A 19 27.445 35.973 -15.751 1.00 9.85 H new ATOM 0 HG21 ILE A 19 26.584 36.653 -12.331 1.00 11.61 H new ATOM 0 HG22 ILE A 19 26.635 38.234 -12.403 1.00 11.61 H new ATOM 0 HG23 ILE A 19 25.471 37.445 -13.131 1.00 11.61 H new ATOM 0 HD11 ILE A 19 27.381 33.963 -14.447 1.00 11.55 H new ATOM 0 HD12 ILE A 19 28.495 34.921 -13.855 1.00 11.55 H new ATOM 0 HD13 ILE A 19 27.084 34.813 -13.144 1.00 11.55 H new ATOM 282 N ARG A 20 28.142 40.374 -14.096 1.00 11.18 N ATOM 283 CA ARG A 20 28.194 41.659 -13.410 1.00 14.24 C ATOM 284 C ARG A 20 27.796 42.864 -14.223 1.00 15.13 C ATOM 285 O ARG A 20 27.163 43.818 -13.682 1.00 16.08 O ATOM 286 CB ARG A 20 29.559 41.880 -12.714 1.00 16.55 C ATOM 287 CG ARG A 20 29.682 41.044 -11.419 1.00 21.26 C ATOM 288 CD ARG A 20 31.022 41.123 -10.819 1.00 23.66 C ATOM 289 NE ARG A 20 31.228 40.283 -9.608 1.00 28.06 N ATOM 290 CZ ARG A 20 32.441 39.696 -9.485 1.00 29.32 C ATOM 291 NH1 ARG A 20 33.352 39.926 -10.453 1.00 31.41 N ATOM 292 NH2 ARG A 20 32.766 38.841 -8.532 1.00 29.68 N ATOM 0 H ARG A 20 28.902 39.976 -14.157 1.00 11.18 H new ATOM 0 HA ARG A 20 27.497 41.586 -12.739 1.00 14.24 H new ATOM 0 HB2 ARG A 20 30.275 41.641 -13.323 1.00 16.55 H new ATOM 0 HB3 ARG A 20 29.667 42.821 -12.504 1.00 16.55 H new ATOM 0 HG2 ARG A 20 29.025 41.352 -10.776 1.00 21.26 H new ATOM 0 HG3 ARG A 20 29.474 40.117 -11.616 1.00 21.26 H new ATOM 0 HD2 ARG A 20 31.675 40.865 -11.488 1.00 23.66 H new ATOM 0 HD3 ARG A 20 31.202 42.048 -10.588 1.00 23.66 H new ATOM 0 HE ARG A 20 30.610 40.177 -9.019 1.00 28.06 H new ATOM 0 HH11 ARG A 20 33.153 40.431 -11.120 1.00 31.41 H new ATOM 0 HH12 ARG A 20 34.132 39.567 -10.403 1.00 31.41 H new ATOM 0 HH21 ARG A 20 32.187 38.623 -7.934 1.00 29.68 H new ATOM 0 HH22 ARG A 20 33.556 38.502 -8.509 1.00 29.68 H new ATOM 306 N SER A 21 28.188 42.891 -15.488 1.00 15.14 N ATOM 307 CA SER A 21 27.887 44.025 -16.353 1.00 14.85 C ATOM 308 C SER A 21 26.424 43.988 -16.793 1.00 13.79 C ATOM 309 O SER A 21 25.821 45.058 -16.911 1.00 14.27 O ATOM 310 CB SER A 21 28.811 44.139 -17.544 1.00 17.46 C ATOM 311 OG SER A 21 28.797 42.948 -18.309 1.00 20.86 O ATOM 0 H SER A 21 28.632 42.260 -15.868 1.00 15.14 H new ATOM 0 HA SER A 21 28.040 44.823 -15.823 1.00 14.85 H new ATOM 0 HB2 SER A 21 28.540 44.887 -18.098 1.00 17.46 H new ATOM 0 HB3 SER A 21 29.714 44.323 -17.241 1.00 17.46 H new ATOM 0 HG SER A 21 29.314 43.030 -18.966 1.00 20.86 H new ATOM 317 N ALA A 22 25.913 42.809 -17.001 1.00 13.80 N ATOM 318 CA ALA A 22 24.502 42.611 -17.419 1.00 12.97 C ATOM 319 C ALA A 22 23.547 42.833 -16.246 1.00 11.74 C ATOM 320 O ALA A 22 22.386 43.236 -16.465 1.00 13.94 O ATOM 321 CB ALA A 22 24.346 41.206 -18.020 1.00 13.34 C ATOM 0 H ALA A 22 26.356 42.078 -16.910 1.00 13.80 H new ATOM 0 HA ALA A 22 24.271 43.266 -18.096 1.00 12.97 H new ATOM 0 HB1 ALA A 22 23.425 41.072 -18.295 1.00 13.34 H new ATOM 0 HB2 ALA A 22 24.929 41.117 -18.790 1.00 13.34 H new ATOM 0 HB3 ALA A 22 24.585 40.541 -17.355 1.00 13.34 H new ATOM 327 N TRP A 23 23.946 42.536 -15.035 1.00 10.62 N ATOM 328 CA TRP A 23 23.132 42.657 -13.838 1.00 9.38 C ATOM 329 C TRP A 23 22.932 44.108 -13.405 1.00 10.51 C ATOM 330 O TRP A 23 21.805 44.513 -13.025 1.00 9.27 O ATOM 331 CB TRP A 23 23.683 41.795 -12.697 1.00 9.35 C ATOM 332 CG TRP A 23 22.861 41.958 -11.438 1.00 10.61 C ATOM 333 CD1 TRP A 23 23.226 42.556 -10.268 1.00 9.82 C ATOM 334 CD2 TRP A 23 21.496 41.556 -11.291 1.00 11.16 C ATOM 335 NE1 TRP A 23 22.134 42.558 -9.403 1.00 13.24 N ATOM 336 CE2 TRP A 23 21.081 41.947 -10.006 1.00 11.77 C ATOM 337 CE3 TRP A 23 20.593 40.894 -12.133 1.00 13.22 C ATOM 338 CZ2 TRP A 23 19.778 41.709 -9.527 1.00 14.25 C ATOM 339 CZ3 TRP A 23 19.299 40.678 -11.679 1.00 12.83 C ATOM 340 CH2 TRP A 23 18.889 41.089 -10.395 1.00 12.95 C ATOM 0 H TRP A 23 24.738 42.243 -14.872 1.00 10.62 H new ATOM 0 HA TRP A 23 22.252 42.318 -14.065 1.00 9.38 H new ATOM 0 HB2 TRP A 23 23.686 40.863 -12.965 1.00 9.35 H new ATOM 0 HB3 TRP A 23 24.604 42.041 -12.518 1.00 9.35 H new ATOM 0 HD1 TRP A 23 24.067 42.905 -10.078 1.00 9.82 H new ATOM 0 HE1 TRP A 23 22.127 42.894 -8.611 1.00 13.24 H new ATOM 0 HE3 TRP A 23 20.855 40.606 -12.978 1.00 13.22 H new ATOM 0 HZ2 TRP A 23 19.524 41.956 -8.667 1.00 14.25 H new ATOM 0 HZ3 TRP A 23 18.688 40.252 -12.236 1.00 12.83 H new ATOM 0 HH2 TRP A 23 18.011 40.943 -10.125 1.00 12.95 H new ATOM 351 N ALA A 24 23.983 44.875 -13.508 1.00 11.13 N ATOM 352 CA ALA A 24 24.069 46.276 -13.118 1.00 12.90 C ATOM 353 C ALA A 24 22.808 47.076 -13.436 1.00 13.71 C ATOM 354 O ALA A 24 22.150 47.585 -12.521 1.00 14.90 O ATOM 355 CB ALA A 24 25.247 47.011 -13.750 1.00 13.48 C ATOM 0 H ALA A 24 24.725 44.581 -13.829 1.00 11.13 H new ATOM 0 HA ALA A 24 24.191 46.228 -12.157 1.00 12.90 H new ATOM 0 HB1 ALA A 24 25.250 47.934 -13.453 1.00 13.48 H new ATOM 0 HB2 ALA A 24 26.076 46.584 -13.483 1.00 13.48 H new ATOM 0 HB3 ALA A 24 25.166 46.983 -14.716 1.00 13.48 H new ATOM 361 N PRO A 25 22.523 47.182 -14.718 1.00 13.82 N ATOM 362 CA PRO A 25 21.371 47.968 -15.164 1.00 13.65 C ATOM 363 C PRO A 25 20.042 47.481 -14.642 1.00 13.87 C ATOM 364 O PRO A 25 19.109 48.290 -14.341 1.00 14.14 O ATOM 365 CB PRO A 25 21.512 48.023 -16.675 1.00 13.12 C ATOM 366 CG PRO A 25 22.482 46.961 -17.035 1.00 13.31 C ATOM 367 CD PRO A 25 23.289 46.589 -15.818 1.00 12.73 C ATOM 0 HA PRO A 25 21.372 48.863 -14.790 1.00 13.65 H new ATOM 0 HB2 PRO A 25 20.657 47.874 -17.109 1.00 13.12 H new ATOM 0 HB3 PRO A 25 21.828 48.894 -16.963 1.00 13.12 H new ATOM 0 HG2 PRO A 25 22.014 46.183 -17.375 1.00 13.31 H new ATOM 0 HG3 PRO A 25 23.069 47.271 -17.743 1.00 13.31 H new ATOM 0 HD2 PRO A 25 23.370 45.627 -15.721 1.00 12.73 H new ATOM 0 HD3 PRO A 25 24.190 46.946 -15.862 1.00 12.73 H new ATOM 375 N VAL A 26 19.907 46.173 -14.465 1.00 14.16 N ATOM 376 CA VAL A 26 18.653 45.581 -13.964 1.00 11.83 C ATOM 377 C VAL A 26 18.464 45.998 -12.529 1.00 11.86 C ATOM 378 O VAL A 26 17.346 46.410 -12.181 1.00 12.42 O ATOM 379 CB VAL A 26 18.574 44.076 -14.231 1.00 10.92 C ATOM 380 CG1 VAL A 26 17.371 43.402 -13.581 1.00 9.85 C ATOM 381 CG2 VAL A 26 18.611 43.812 -15.747 1.00 10.23 C ATOM 0 H VAL A 26 20.528 45.601 -14.628 1.00 14.16 H new ATOM 0 HA VAL A 26 17.893 45.925 -14.459 1.00 11.83 H new ATOM 0 HB VAL A 26 19.351 43.673 -13.813 1.00 10.92 H new ATOM 0 HG11 VAL A 26 17.380 42.454 -13.788 1.00 9.85 H new ATOM 0 HG12 VAL A 26 17.412 43.523 -12.619 1.00 9.85 H new ATOM 0 HG13 VAL A 26 16.554 43.799 -13.922 1.00 9.85 H new ATOM 0 HG21 VAL A 26 18.561 42.857 -15.911 1.00 10.23 H new ATOM 0 HG22 VAL A 26 17.858 44.252 -16.171 1.00 10.23 H new ATOM 0 HG23 VAL A 26 19.438 44.160 -16.116 1.00 10.23 H new ATOM 391 N TYR A 27 19.500 45.927 -11.741 1.00 11.86 N ATOM 392 CA TYR A 27 19.480 46.292 -10.332 1.00 13.04 C ATOM 393 C TYR A 27 19.182 47.764 -10.058 1.00 14.36 C ATOM 394 O TYR A 27 18.408 48.108 -9.131 1.00 12.71 O ATOM 395 CB TYR A 27 20.841 45.944 -9.662 1.00 10.80 C ATOM 396 CG TYR A 27 20.732 46.131 -8.161 1.00 13.40 C ATOM 397 CD1 TYR A 27 19.770 45.511 -7.384 1.00 13.43 C ATOM 398 CD2 TYR A 27 21.653 46.984 -7.519 1.00 12.76 C ATOM 399 CE1 TYR A 27 19.697 45.703 -5.987 1.00 14.57 C ATOM 400 CE2 TYR A 27 21.598 47.181 -6.169 1.00 13.63 C ATOM 401 CZ TYR A 27 20.638 46.538 -5.400 1.00 15.10 C ATOM 402 OH TYR A 27 20.698 46.787 -4.051 1.00 16.64 O ATOM 0 H TYR A 27 20.270 45.656 -12.010 1.00 11.86 H new ATOM 0 HA TYR A 27 18.750 45.776 -9.955 1.00 13.04 H new ATOM 0 HB2 TYR A 27 21.088 45.028 -9.866 1.00 10.80 H new ATOM 0 HB3 TYR A 27 21.542 46.512 -10.018 1.00 10.80 H new ATOM 0 HD1 TYR A 27 19.152 44.950 -7.795 1.00 13.43 H new ATOM 0 HD2 TYR A 27 22.305 47.417 -8.021 1.00 12.76 H new ATOM 0 HE1 TYR A 27 19.041 45.284 -5.478 1.00 14.57 H new ATOM 0 HE2 TYR A 27 22.209 47.751 -5.761 1.00 13.63 H new ATOM 0 HH TYR A 27 20.416 46.118 -3.629 1.00 16.64 H new ATOM 412 N SER A 28 19.860 48.602 -10.870 1.00 15.25 N ATOM 413 CA SER A 28 19.700 50.050 -10.690 1.00 15.89 C ATOM 414 C SER A 28 18.326 50.523 -11.116 1.00 15.89 C ATOM 415 O SER A 28 17.823 51.556 -10.584 1.00 15.63 O ATOM 416 CB SER A 28 20.852 50.833 -11.265 1.00 18.50 C ATOM 417 OG SER A 28 20.783 50.887 -12.682 1.00 20.66 O ATOM 0 H SER A 28 20.392 48.361 -11.501 1.00 15.25 H new ATOM 0 HA SER A 28 19.741 50.237 -9.739 1.00 15.89 H new ATOM 0 HB2 SER A 28 20.846 51.733 -10.904 1.00 18.50 H new ATOM 0 HB3 SER A 28 21.690 50.425 -10.995 1.00 18.50 H new ATOM 0 HG SER A 28 21.433 51.329 -12.978 1.00 20.66 H new ATOM 423 N ATHR A 29 17.656 49.777 -11.965 0.50 16.16 N ATOM 424 CA ATHR A 29 16.260 50.150 -12.341 0.50 16.06 C ATOM 425 C ATHR A 29 15.298 49.092 -11.813 0.50 17.15 C ATOM 426 O ATHR A 29 14.340 48.670 -12.495 0.50 17.98 O ATOM 427 CB ATHR A 29 16.194 50.379 -13.886 0.50 17.09 C ATOM 428 OG1ATHR A 29 16.597 49.096 -14.477 0.50 17.98 O ATOM 429 CG2ATHR A 29 17.080 51.520 -14.412 0.50 16.35 C ATOM 0 H ATHR A 29 17.959 49.065 -12.340 0.50 16.16 H new ATOM 0 HA ATHR A 29 15.986 50.986 -11.932 0.50 16.06 H new ATOM 0 HB ATHR A 29 15.298 50.658 -14.131 0.50 17.09 H new ATOM 0 HG1ATHR A 29 17.417 48.971 -14.344 0.50 17.98 H new ATOM 0 HG21ATHR A 29 16.978 51.592 -15.374 0.50 16.35 H new ATOM 0 HG22ATHR A 29 16.814 52.355 -13.996 0.50 16.35 H new ATOM 0 HG23ATHR A 29 18.008 51.334 -14.198 0.50 16.35 H new ATOM 437 N BASP A 29 17.741 49.827 -12.061 0.50 15.59 N ATOM 438 CA BASP A 29 16.330 50.021 -12.457 0.50 15.34 C ATOM 439 C BASP A 29 15.339 49.069 -11.815 0.50 16.71 C ATOM 440 O BASP A 29 14.320 48.694 -12.462 0.50 17.56 O ATOM 441 CB BASP A 29 16.175 50.176 -13.975 0.50 15.20 C ATOM 442 CG BASP A 29 17.172 51.137 -14.602 0.50 14.00 C ATOM 443 OD1BASP A 29 18.213 50.786 -15.169 0.50 12.38 O ATOM 444 OD2BASP A 29 16.850 52.333 -14.521 0.50 14.65 O ATOM 0 HA BASP A 29 16.071 50.872 -12.071 0.50 15.34 H new ATOM 0 HB2BASP A 29 16.273 49.305 -14.392 0.50 15.20 H new ATOM 0 HB3BASP A 29 15.276 50.484 -14.169 0.50 15.20 H new ATOM 445 N TYR A 30 15.514 48.637 -10.587 1.00 16.77 N ATOM 446 CA TYR A 30 14.715 47.598 -9.926 1.00 18.10 C ATOM 447 C TYR A 30 13.237 47.882 -9.864 1.00 19.05 C ATOM 448 O TYR A 30 12.356 46.990 -10.044 1.00 19.54 O ATOM 449 CB ATYR A 30 15.316 47.301 -8.512 0.60 19.01 C ATOM 450 CB BTYR A 30 15.271 47.350 -8.481 0.40 19.38 C ATOM 451 CG ATYR A 30 15.403 48.544 -7.667 0.60 20.89 C ATOM 452 CG BTYR A 30 15.008 48.546 -7.596 0.40 21.32 C ATOM 453 CD1ATYR A 30 16.365 49.534 -7.938 0.60 21.83 C ATOM 454 CD1BTYR A 30 15.841 49.676 -7.668 0.40 22.00 C ATOM 455 CD2ATYR A 30 14.503 48.788 -6.627 0.60 21.48 C ATOM 456 CD2BTYR A 30 13.927 48.595 -6.725 0.40 21.81 C ATOM 457 CE1ATYR A 30 16.436 50.705 -7.191 0.60 21.79 C ATOM 458 CE1BTYR A 30 15.608 50.799 -6.885 0.40 22.17 C ATOM 459 CE2ATYR A 30 14.571 49.955 -5.881 0.60 20.73 C ATOM 460 CE2BTYR A 30 13.681 49.716 -5.939 0.40 22.06 C ATOM 461 CZ ATYR A 30 15.531 50.916 -6.155 0.60 21.47 C ATOM 462 CZ BTYR A 30 14.519 50.819 -6.017 0.40 22.24 C ATOM 463 OH ATYR A 30 15.546 52.067 -5.411 0.60 21.13 O ATOM 464 OH BTYR A 30 14.259 51.923 -5.243 0.40 21.59 O ATOM 0 H BTYR A 30 16.132 48.951 -10.078 0.50 16.77 H new ATOM 0 HA TYR A 30 14.774 46.805 -10.481 1.00 18.10 H new ATOM 0 HB2ATYR A 30 14.768 46.641 -8.060 0.60 19.38 H new ATOM 0 HB2BTYR A 30 14.854 46.562 -8.100 0.40 19.38 H new ATOM 0 HB3ATYR A 30 16.200 46.915 -8.611 0.60 19.38 H new ATOM 0 HB3BTYR A 30 16.224 47.175 -8.522 0.40 19.38 H new ATOM 0 HD1ATYR A 30 16.968 49.402 -8.634 0.60 22.00 H new ATOM 0 HD1BTYR A 30 16.564 49.671 -8.253 0.40 22.00 H new ATOM 0 HD2ATYR A 30 13.848 48.158 -6.432 0.60 21.81 H new ATOM 0 HD2BTYR A 30 13.356 47.863 -6.666 0.40 21.81 H new ATOM 0 HE1ATYR A 30 17.085 51.343 -7.383 0.60 22.17 H new ATOM 0 HE1BTYR A 30 16.176 51.533 -6.940 0.40 22.17 H new ATOM 0 HE2ATYR A 30 13.965 50.094 -5.189 0.60 22.06 H new ATOM 0 HE2BTYR A 30 12.953 49.726 -5.360 0.40 22.06 H new ATOM 0 HH ATYR A 30 16.049 51.965 -4.746 0.60 21.59 H new ATOM 0 HH BTYR A 30 13.574 51.784 -4.777 0.40 21.59 H new ATOM 474 N GLU A 31 12.857 49.134 -9.600 1.00 19.73 N ATOM 475 CA GLU A 31 11.446 49.521 -9.520 1.00 19.64 C ATOM 476 C GLU A 31 10.726 49.232 -10.816 1.00 18.25 C ATOM 477 O GLU A 31 9.491 49.032 -10.790 1.00 18.52 O ATOM 478 CB GLU A 31 11.197 50.962 -9.176 1.00 26.10 C ATOM 479 CG GLU A 31 11.869 51.603 -7.955 1.00 31.89 C ATOM 480 CD GLU A 31 11.834 53.119 -7.968 1.00 36.60 C ATOM 481 OE1 GLU A 31 12.325 53.877 -7.137 1.00 37.84 O ATOM 482 OE2 GLU A 31 11.221 53.581 -8.977 1.00 39.19 O ATOM 0 H GLU A 31 13.407 49.780 -9.463 1.00 19.73 H new ATOM 0 HA GLU A 31 11.103 48.983 -8.789 1.00 19.64 H new ATOM 0 HB2 GLU A 31 11.451 51.488 -9.950 1.00 26.10 H new ATOM 0 HB3 GLU A 31 10.239 51.067 -9.063 1.00 26.10 H new ATOM 0 HG2 GLU A 31 11.432 51.284 -7.150 1.00 31.89 H new ATOM 0 HG3 GLU A 31 12.792 51.309 -7.912 1.00 31.89 H new ATOM 489 N THR A 32 11.432 49.208 -11.919 1.00 16.80 N ATOM 490 CA THR A 32 10.892 48.951 -13.254 1.00 15.69 C ATOM 491 C THR A 32 11.076 47.516 -13.734 1.00 14.40 C ATOM 492 O THR A 32 10.144 46.889 -14.235 1.00 14.37 O ATOM 493 CB THR A 32 11.518 49.859 -14.389 1.00 15.39 C ATOM 494 OG1 THR A 32 11.163 51.201 -14.014 1.00 17.89 O ATOM 495 CG2 THR A 32 10.952 49.567 -15.773 1.00 16.82 C ATOM 0 H THR A 32 12.281 49.346 -11.923 1.00 16.80 H new ATOM 0 HA THR A 32 9.952 49.155 -13.127 1.00 15.69 H new ATOM 0 HB THR A 32 12.473 49.701 -14.454 1.00 15.39 H new ATOM 0 HG1 THR A 32 11.469 51.741 -14.580 1.00 17.89 H new ATOM 0 HG21 THR A 32 11.371 50.151 -16.424 1.00 16.82 H new ATOM 0 HG22 THR A 32 11.130 48.643 -16.007 1.00 16.82 H new ATOM 0 HG23 THR A 32 9.994 49.721 -15.770 1.00 16.82 H new ATOM 503 N SER A 33 12.326 47.096 -13.606 1.00 12.87 N ATOM 504 CA SER A 33 12.694 45.737 -14.070 1.00 11.01 C ATOM 505 C SER A 33 11.987 44.667 -13.233 1.00 9.66 C ATOM 506 O SER A 33 11.602 43.635 -13.822 1.00 10.44 O ATOM 507 CB SER A 33 14.199 45.542 -13.966 1.00 10.86 C ATOM 508 OG SER A 33 14.622 45.809 -12.630 1.00 9.84 O ATOM 0 H SER A 33 12.968 47.556 -13.266 1.00 12.87 H new ATOM 0 HA SER A 33 12.415 45.647 -14.995 1.00 11.01 H new ATOM 0 HB2 SER A 33 14.435 44.635 -14.215 1.00 10.86 H new ATOM 0 HB3 SER A 33 14.655 46.134 -14.584 1.00 10.86 H new ATOM 0 HG SER A 33 15.449 45.958 -12.622 1.00 9.84 H new ATOM 514 N GLY A 34 11.896 44.925 -11.944 1.00 8.53 N ATOM 515 CA GLY A 34 11.289 44.016 -10.974 1.00 8.67 C ATOM 516 C GLY A 34 9.821 43.693 -11.339 1.00 9.03 C ATOM 517 O GLY A 34 9.377 42.525 -11.293 1.00 6.93 O ATOM 0 H GLY A 34 12.192 45.652 -11.592 1.00 8.53 H new ATOM 0 HA2 GLY A 34 11.802 43.194 -10.935 1.00 8.67 H new ATOM 0 HA3 GLY A 34 11.324 44.414 -10.090 1.00 8.67 H new ATOM 521 N VAL A 35 9.142 44.793 -11.678 1.00 6.98 N ATOM 522 CA VAL A 35 7.722 44.654 -12.073 1.00 7.45 C ATOM 523 C VAL A 35 7.625 43.853 -13.350 1.00 7.34 C ATOM 524 O VAL A 35 6.888 42.847 -13.440 1.00 7.07 O ATOM 525 CB VAL A 35 7.074 46.056 -12.082 1.00 6.95 C ATOM 526 CG1 VAL A 35 5.672 46.074 -12.684 1.00 7.18 C ATOM 527 CG2 VAL A 35 7.027 46.550 -10.636 1.00 5.63 C ATOM 0 H VAL A 35 9.458 45.593 -11.689 1.00 6.98 H new ATOM 0 HA VAL A 35 7.203 44.140 -11.435 1.00 7.45 H new ATOM 0 HB VAL A 35 7.610 46.635 -12.646 1.00 6.95 H new ATOM 0 HG11 VAL A 35 5.321 46.978 -12.661 1.00 7.18 H new ATOM 0 HG12 VAL A 35 5.710 45.766 -13.603 1.00 7.18 H new ATOM 0 HG13 VAL A 35 5.092 45.489 -12.171 1.00 7.18 H new ATOM 0 HG21 VAL A 35 6.624 47.432 -10.608 1.00 5.63 H new ATOM 0 HG22 VAL A 35 6.499 45.936 -10.101 1.00 5.63 H new ATOM 0 HG23 VAL A 35 7.928 46.596 -10.280 1.00 5.63 H new ATOM 537 N ASP A 36 8.440 44.206 -14.322 1.00 6.79 N ATOM 538 CA ASP A 36 8.436 43.529 -15.630 1.00 8.95 C ATOM 539 C ASP A 36 8.592 42.034 -15.470 1.00 8.90 C ATOM 540 O ASP A 36 7.863 41.230 -16.102 1.00 8.28 O ATOM 541 CB ASP A 36 9.523 44.147 -16.504 1.00 15.57 C ATOM 542 CG ASP A 36 8.961 44.613 -17.844 1.00 21.05 C ATOM 543 OD1 ASP A 36 8.250 45.618 -17.832 1.00 23.44 O ATOM 544 OD2 ASP A 36 9.219 43.907 -18.844 1.00 24.48 O ATOM 0 H ASP A 36 9.015 44.842 -14.256 1.00 6.79 H new ATOM 0 HA ASP A 36 7.581 43.659 -16.070 1.00 8.95 H new ATOM 0 HB2 ASP A 36 9.925 44.899 -16.041 1.00 15.57 H new ATOM 0 HB3 ASP A 36 10.227 43.497 -16.655 1.00 15.57 H new ATOM 549 N ILE A 37 9.549 41.680 -14.599 1.00 7.50 N ATOM 550 CA ILE A 37 9.790 40.229 -14.414 1.00 8.10 C ATOM 551 C ILE A 37 8.576 39.479 -13.902 1.00 8.76 C ATOM 552 O ILE A 37 8.257 38.411 -14.428 1.00 8.27 O ATOM 553 CB ILE A 37 11.111 40.022 -13.593 1.00 10.45 C ATOM 554 CG1 ILE A 37 12.339 40.338 -14.500 1.00 7.80 C ATOM 555 CG2 ILE A 37 11.191 38.572 -13.024 1.00 10.41 C ATOM 556 CD1 ILE A 37 13.525 40.885 -13.658 1.00 12.13 C ATOM 0 H ILE A 37 10.039 42.214 -14.135 1.00 7.50 H new ATOM 0 HA ILE A 37 9.933 39.815 -15.280 1.00 8.10 H new ATOM 0 HB ILE A 37 11.114 40.630 -12.837 1.00 10.45 H new ATOM 0 HG12 ILE A 37 12.614 39.535 -14.969 1.00 7.80 H new ATOM 0 HG13 ILE A 37 12.089 40.989 -15.174 1.00 7.80 H new ATOM 0 HG21 ILE A 37 12.014 38.466 -12.521 1.00 10.41 H new ATOM 0 HG22 ILE A 37 10.433 38.411 -12.441 1.00 10.41 H new ATOM 0 HG23 ILE A 37 11.176 37.936 -13.756 1.00 10.41 H new ATOM 0 HD11 ILE A 37 14.276 41.074 -14.242 1.00 12.13 H new ATOM 0 HD12 ILE A 37 13.253 41.700 -13.207 1.00 12.13 H new ATOM 0 HD13 ILE A 37 13.787 40.223 -12.999 1.00 12.13 H new ATOM 568 N LEU A 38 7.872 39.987 -12.907 1.00 8.39 N ATOM 569 CA LEU A 38 6.684 39.450 -12.294 1.00 8.47 C ATOM 570 C LEU A 38 5.481 39.393 -13.225 1.00 7.61 C ATOM 571 O LEU A 38 4.787 38.372 -13.216 1.00 7.40 O ATOM 572 CB LEU A 38 6.431 40.211 -10.992 1.00 11.49 C ATOM 573 CG ALEU A 38 7.475 40.051 -9.897 0.50 10.84 C ATOM 574 CG BLEU A 38 6.010 39.384 -9.782 0.50 12.03 C ATOM 575 CD1ALEU A 38 6.980 40.676 -8.596 0.50 11.07 C ATOM 576 CD1BLEU A 38 6.848 38.115 -9.657 0.50 13.34 C ATOM 577 CD2ALEU A 38 7.771 38.568 -9.707 0.50 12.13 C ATOM 578 CD2BLEU A 38 6.260 40.286 -8.555 0.50 13.42 C ATOM 0 H LEU A 38 8.105 40.729 -12.540 1.00 8.39 H new ATOM 0 HA LEU A 38 6.831 38.514 -12.085 1.00 8.47 H new ATOM 0 HB2ALEU A 38 6.354 41.155 -11.202 0.50 11.49 H new ATOM 0 HB2BLEU A 38 7.241 40.693 -10.762 0.50 11.49 H new ATOM 0 HB3ALEU A 38 5.574 39.929 -10.637 0.50 11.49 H new ATOM 0 HB3BLEU A 38 5.743 40.875 -11.159 0.50 11.49 H new ATOM 0 HG ALEU A 38 8.291 40.509 -10.154 0.50 12.03 H new ATOM 0 HG BLEU A 38 5.084 39.107 -9.860 0.50 12.03 H new ATOM 0 HD11ALEU A 38 7.654 40.567 -7.907 0.50 13.34 H new ATOM 0 HD11BLEU A 38 6.558 37.611 -8.881 0.50 13.34 H new ATOM 0 HD12ALEU A 38 6.810 41.621 -8.735 0.50 13.34 H new ATOM 0 HD12BLEU A 38 6.736 37.573 -10.454 0.50 13.34 H new ATOM 0 HD13ALEU A 38 6.161 40.238 -8.318 0.50 13.34 H new ATOM 0 HD13BLEU A 38 7.783 38.353 -9.557 0.50 13.34 H new ATOM 0 HD21ALEU A 38 8.436 38.457 -9.010 0.50 13.42 H new ATOM 0 HD21BLEU A 38 6.009 39.811 -7.747 0.50 13.42 H new ATOM 0 HD22ALEU A 38 6.957 38.105 -9.453 0.50 13.42 H new ATOM 0 HD22BLEU A 38 7.200 40.521 -8.512 0.50 13.42 H new ATOM 0 HD23ALEU A 38 8.108 38.196 -10.537 0.50 13.42 H new ATOM 0 HD23BLEU A 38 5.728 41.094 -8.633 0.50 13.42 H new ATOM 590 N VAL A 39 5.284 40.422 -14.022 1.00 8.60 N ATOM 591 CA VAL A 39 4.213 40.510 -15.007 1.00 9.12 C ATOM 592 C VAL A 39 4.437 39.375 -16.001 1.00 9.16 C ATOM 593 O VAL A 39 3.532 38.552 -16.265 1.00 10.08 O ATOM 594 CB VAL A 39 4.148 41.905 -15.641 1.00 10.60 C ATOM 595 CG1 VAL A 39 3.107 41.948 -16.751 1.00 13.41 C ATOM 596 CG2 VAL A 39 3.851 42.996 -14.622 1.00 12.98 C ATOM 0 H VAL A 39 5.787 41.119 -14.008 1.00 8.60 H new ATOM 0 HA VAL A 39 3.339 40.401 -14.601 1.00 9.12 H new ATOM 0 HB VAL A 39 5.027 42.078 -16.013 1.00 10.60 H new ATOM 0 HG11 VAL A 39 3.082 42.837 -17.138 1.00 13.41 H new ATOM 0 HG12 VAL A 39 3.339 41.304 -17.438 1.00 13.41 H new ATOM 0 HG13 VAL A 39 2.235 41.730 -16.386 1.00 13.41 H new ATOM 0 HG21 VAL A 39 3.820 43.856 -15.069 1.00 12.98 H new ATOM 0 HG22 VAL A 39 2.996 42.820 -14.200 1.00 12.98 H new ATOM 0 HG23 VAL A 39 4.548 43.007 -13.947 1.00 12.98 H new ATOM 606 N LYS A 40 5.654 39.315 -16.517 1.00 8.43 N ATOM 607 CA LYS A 40 6.052 38.260 -17.441 1.00 9.10 C ATOM 608 C LYS A 40 5.870 36.879 -16.819 1.00 9.24 C ATOM 609 O LYS A 40 5.335 35.960 -17.486 1.00 10.27 O ATOM 610 CB LYS A 40 7.472 38.412 -17.973 1.00 11.17 C ATOM 611 CG LYS A 40 7.604 39.749 -18.709 1.00 18.41 C ATOM 612 CD LYS A 40 9.006 39.939 -19.294 1.00 22.46 C ATOM 613 CE LYS A 40 9.030 41.188 -20.167 1.00 25.56 C ATOM 614 NZ LYS A 40 10.114 41.126 -21.178 1.00 26.06 N ATOM 0 H LYS A 40 6.275 39.884 -16.343 1.00 8.43 H new ATOM 0 HA LYS A 40 5.458 38.350 -18.203 1.00 9.10 H new ATOM 0 HB2 LYS A 40 8.108 38.371 -17.241 1.00 11.17 H new ATOM 0 HB3 LYS A 40 7.683 37.680 -18.573 1.00 11.17 H new ATOM 0 HG2 LYS A 40 6.947 39.792 -19.422 1.00 18.41 H new ATOM 0 HG3 LYS A 40 7.407 40.476 -18.098 1.00 18.41 H new ATOM 0 HD2 LYS A 40 9.657 40.020 -18.579 1.00 22.46 H new ATOM 0 HD3 LYS A 40 9.256 39.162 -19.818 1.00 22.46 H new ATOM 0 HE2 LYS A 40 8.175 41.288 -20.614 1.00 25.56 H new ATOM 0 HE3 LYS A 40 9.152 41.972 -19.609 1.00 25.56 H new ATOM 0 HZ1 LYS A 40 10.103 41.867 -21.671 1.00 26.06 H new ATOM 0 HZ2 LYS A 40 10.900 41.056 -20.767 1.00 26.06 H new ATOM 0 HZ3 LYS A 40 9.990 40.418 -21.703 1.00 26.06 H new ATOM 628 N PHE A 41 6.276 36.701 -15.603 1.00 8.01 N ATOM 629 CA PHE A 41 6.151 35.433 -14.889 1.00 9.49 C ATOM 630 C PHE A 41 4.673 34.960 -14.805 1.00 10.38 C ATOM 631 O PHE A 41 4.379 33.845 -15.292 1.00 10.28 O ATOM 632 CB PHE A 41 6.804 35.452 -13.515 1.00 6.73 C ATOM 633 CG PHE A 41 6.695 34.196 -12.699 1.00 7.08 C ATOM 634 CD1 PHE A 41 7.041 32.978 -13.260 1.00 6.35 C ATOM 635 CD2 PHE A 41 6.263 34.223 -11.378 1.00 9.59 C ATOM 636 CE1 PHE A 41 6.983 31.804 -12.545 1.00 6.63 C ATOM 637 CE2 PHE A 41 6.158 33.046 -10.617 1.00 9.30 C ATOM 638 CZ PHE A 41 6.557 31.825 -11.221 1.00 8.34 C ATOM 0 H PHE A 41 6.647 37.322 -15.138 1.00 8.01 H new ATOM 0 HA PHE A 41 6.642 34.784 -15.416 1.00 9.49 H new ATOM 0 HB2 PHE A 41 7.745 35.658 -13.630 1.00 6.73 H new ATOM 0 HB3 PHE A 41 6.415 36.179 -13.005 1.00 6.73 H new ATOM 0 HD1 PHE A 41 7.321 32.953 -14.147 1.00 6.35 H new ATOM 0 HD2 PHE A 41 6.039 35.038 -10.989 1.00 9.59 H new ATOM 0 HE1 PHE A 41 7.227 31.001 -12.945 1.00 6.63 H new ATOM 0 HE2 PHE A 41 5.837 33.067 -9.744 1.00 9.30 H new ATOM 0 HZ PHE A 41 6.534 31.036 -10.730 1.00 8.34 H new ATOM 648 N PHE A 42 3.855 35.777 -14.210 1.00 10.60 N ATOM 649 CA PHE A 42 2.442 35.492 -13.970 1.00 12.23 C ATOM 650 C PHE A 42 1.631 35.421 -15.243 1.00 14.60 C ATOM 651 O PHE A 42 0.631 34.631 -15.258 1.00 15.56 O ATOM 652 CB PHE A 42 1.788 36.340 -12.907 1.00 8.15 C ATOM 653 CG PHE A 42 2.324 36.331 -11.531 1.00 8.21 C ATOM 654 CD1 PHE A 42 2.682 35.139 -10.897 1.00 7.90 C ATOM 655 CD2 PHE A 42 2.460 37.518 -10.814 1.00 8.72 C ATOM 656 CE1 PHE A 42 3.181 35.154 -9.589 1.00 9.55 C ATOM 657 CE2 PHE A 42 2.912 37.569 -9.481 1.00 10.16 C ATOM 658 CZ PHE A 42 3.267 36.354 -8.869 1.00 10.13 C ATOM 0 H PHE A 42 4.100 36.547 -13.917 1.00 10.60 H new ATOM 0 HA PHE A 42 2.446 34.599 -13.590 1.00 12.23 H new ATOM 0 HB2 PHE A 42 1.805 37.259 -13.218 1.00 8.15 H new ATOM 0 HB3 PHE A 42 0.856 36.074 -12.857 1.00 8.15 H new ATOM 0 HD1 PHE A 42 2.588 34.330 -11.347 1.00 7.90 H new ATOM 0 HD2 PHE A 42 2.241 38.317 -11.237 1.00 8.72 H new ATOM 0 HE1 PHE A 42 3.458 34.359 -9.193 1.00 9.55 H new ATOM 0 HE2 PHE A 42 2.973 38.376 -9.023 1.00 10.16 H new ATOM 0 HZ PHE A 42 3.559 36.346 -7.986 1.00 10.13 H new ATOM 668 N THR A 43 2.001 36.116 -16.292 1.00 14.60 N ATOM 669 CA THR A 43 1.062 35.937 -17.461 1.00 17.40 C ATOM 670 C THR A 43 1.359 34.643 -18.151 1.00 19.30 C ATOM 671 O THR A 43 0.470 33.904 -18.660 1.00 19.65 O ATOM 672 CB THR A 43 1.072 37.254 -18.311 1.00 18.26 C ATOM 673 OG1 THR A 43 2.455 37.375 -18.746 1.00 19.49 O ATOM 674 CG2 THR A 43 0.659 38.521 -17.549 1.00 15.71 C ATOM 0 H THR A 43 2.682 36.634 -16.382 1.00 14.60 H new ATOM 0 HA THR A 43 0.133 35.831 -17.203 1.00 17.40 H new ATOM 0 HB THR A 43 0.420 37.188 -19.026 1.00 18.26 H new ATOM 0 HG1 THR A 43 2.910 37.735 -18.138 1.00 19.49 H new ATOM 0 HG21 THR A 43 0.693 39.284 -18.147 1.00 15.71 H new ATOM 0 HG22 THR A 43 -0.244 38.416 -17.211 1.00 15.71 H new ATOM 0 HG23 THR A 43 1.267 38.665 -16.807 1.00 15.71 H new ATOM 682 N SER A 44 2.632 34.239 -18.183 1.00 19.92 N ATOM 683 CA SER A 44 2.977 32.967 -18.853 1.00 20.90 C ATOM 684 C SER A 44 2.794 31.789 -17.906 1.00 21.76 C ATOM 685 O SER A 44 2.664 30.645 -18.422 1.00 24.14 O ATOM 686 CB SER A 44 4.417 32.990 -19.396 1.00 19.83 C ATOM 687 OG SER A 44 5.284 32.909 -18.256 1.00 20.95 O ATOM 0 H SER A 44 3.294 34.665 -17.837 1.00 19.92 H new ATOM 0 HA SER A 44 2.372 32.861 -19.604 1.00 20.90 H new ATOM 0 HB2 SER A 44 4.570 32.246 -20.000 1.00 19.83 H new ATOM 0 HB3 SER A 44 4.583 33.803 -19.899 1.00 19.83 H new ATOM 0 HG SER A 44 5.384 33.674 -17.925 1.00 20.95 H new ATOM 693 N THR A 45 2.801 31.998 -16.601 1.00 20.49 N ATOM 694 CA THR A 45 2.666 30.895 -15.639 1.00 20.08 C ATOM 695 C THR A 45 1.597 31.219 -14.611 1.00 19.73 C ATOM 696 O THR A 45 1.900 31.484 -13.445 1.00 19.13 O ATOM 697 CB THR A 45 4.056 30.631 -14.901 1.00 21.64 C ATOM 698 OG1 THR A 45 5.071 30.747 -15.928 1.00 18.98 O ATOM 699 CG2 THR A 45 4.093 29.261 -14.187 1.00 22.32 C ATOM 0 H THR A 45 2.883 32.774 -16.241 1.00 20.49 H new ATOM 0 HA THR A 45 2.407 30.096 -16.124 1.00 20.08 H new ATOM 0 HB THR A 45 4.203 31.274 -14.190 1.00 21.64 H new ATOM 0 HG1 THR A 45 5.817 30.891 -15.570 1.00 18.98 H new ATOM 0 HG21 THR A 45 4.953 29.145 -13.754 1.00 22.32 H new ATOM 0 HG22 THR A 45 3.389 29.224 -13.521 1.00 22.32 H new ATOM 0 HG23 THR A 45 3.960 28.553 -14.837 1.00 22.32 H new ATOM 707 N PRO A 46 0.357 31.197 -15.085 1.00 20.45 N ATOM 708 CA PRO A 46 -0.793 31.561 -14.253 1.00 20.90 C ATOM 709 C PRO A 46 -1.015 30.665 -13.068 1.00 21.34 C ATOM 710 O PRO A 46 -1.509 31.154 -11.992 1.00 22.98 O ATOM 711 CB PRO A 46 -1.917 31.768 -15.253 1.00 20.50 C ATOM 712 CG PRO A 46 -1.553 30.871 -16.406 1.00 21.34 C ATOM 713 CD PRO A 46 -0.026 30.913 -16.482 1.00 20.40 C ATOM 0 HA PRO A 46 -0.674 32.380 -13.747 1.00 20.90 H new ATOM 0 HB2 PRO A 46 -2.777 31.528 -14.875 1.00 20.50 H new ATOM 0 HB3 PRO A 46 -1.978 32.695 -15.531 1.00 20.50 H new ATOM 0 HG2 PRO A 46 -1.872 29.967 -16.260 1.00 21.34 H new ATOM 0 HG3 PRO A 46 -1.954 31.183 -17.233 1.00 21.34 H new ATOM 0 HD2 PRO A 46 0.343 30.072 -16.794 1.00 20.40 H new ATOM 0 HD3 PRO A 46 0.286 31.602 -17.089 1.00 20.40 H new ATOM 721 N ALA A 47 -0.610 29.408 -13.142 1.00 20.76 N ATOM 722 CA ALA A 47 -0.748 28.501 -11.988 1.00 20.43 C ATOM 723 C ALA A 47 -0.019 29.051 -10.771 1.00 19.49 C ATOM 724 O ALA A 47 -0.428 28.985 -9.603 1.00 18.43 O ATOM 725 CB ALA A 47 -0.174 27.123 -12.398 1.00 21.62 C ATOM 0 H ALA A 47 -0.254 29.053 -13.840 1.00 20.76 H new ATOM 0 HA ALA A 47 -1.683 28.415 -11.743 1.00 20.43 H new ATOM 0 HB1 ALA A 47 -0.253 26.505 -11.654 1.00 21.62 H new ATOM 0 HB2 ALA A 47 -0.670 26.779 -13.158 1.00 21.62 H new ATOM 0 HB3 ALA A 47 0.760 27.220 -12.639 1.00 21.62 H new ATOM 731 N ALA A 48 1.119 29.665 -11.082 1.00 19.13 N ATOM 732 CA ALA A 48 2.026 30.188 -10.056 1.00 18.29 C ATOM 733 C ALA A 48 1.532 31.288 -9.173 1.00 17.30 C ATOM 734 O ALA A 48 1.967 31.404 -8.019 1.00 15.81 O ATOM 735 CB ALA A 48 3.350 30.629 -10.728 1.00 20.79 C ATOM 0 H ALA A 48 1.389 29.791 -11.889 1.00 19.13 H new ATOM 0 HA ALA A 48 2.132 29.442 -9.446 1.00 18.29 H new ATOM 0 HB1 ALA A 48 3.955 30.976 -10.054 1.00 20.79 H new ATOM 0 HB2 ALA A 48 3.759 29.867 -11.168 1.00 20.79 H new ATOM 0 HB3 ALA A 48 3.166 31.320 -11.384 1.00 20.79 H new ATOM 741 N GLN A 49 0.660 32.121 -9.717 1.00 18.27 N ATOM 742 CA GLN A 49 0.075 33.270 -9.036 1.00 18.21 C ATOM 743 C GLN A 49 -0.786 32.855 -7.854 1.00 18.60 C ATOM 744 O GLN A 49 -0.946 33.642 -6.915 1.00 20.24 O ATOM 745 CB GLN A 49 -0.674 34.179 -10.021 1.00 17.23 C ATOM 746 CG GLN A 49 -1.038 35.528 -9.461 1.00 18.22 C ATOM 747 CD GLN A 49 -1.710 36.468 -10.430 1.00 16.93 C ATOM 748 OE1 GLN A 49 -1.608 36.378 -11.645 1.00 17.63 O ATOM 749 NE2 GLN A 49 -2.384 37.452 -9.875 1.00 18.00 N ATOM 0 H GLN A 49 0.380 32.031 -10.525 1.00 18.27 H new ATOM 0 HA GLN A 49 0.804 33.793 -8.667 1.00 18.21 H new ATOM 0 HB2 GLN A 49 -0.125 34.305 -10.811 1.00 17.23 H new ATOM 0 HB3 GLN A 49 -1.484 33.730 -10.308 1.00 17.23 H new ATOM 0 HG2 GLN A 49 -1.625 35.398 -8.700 1.00 18.22 H new ATOM 0 HG3 GLN A 49 -0.231 35.952 -9.128 1.00 18.22 H new ATOM 0 HE21 GLN A 49 -2.446 37.501 -9.019 1.00 18.00 H new ATOM 0 HE22 GLN A 49 -2.762 38.046 -10.369 1.00 18.00 H new ATOM 758 N GLU A 50 -1.344 31.670 -7.854 1.00 19.17 N ATOM 759 CA GLU A 50 -2.184 31.181 -6.771 1.00 19.01 C ATOM 760 C GLU A 50 -1.427 31.042 -5.458 1.00 19.10 C ATOM 761 O GLU A 50 -2.117 31.013 -4.413 1.00 17.47 O ATOM 762 CB GLU A 50 -2.735 29.774 -7.054 1.00 23.75 C ATOM 763 CG GLU A 50 -3.736 29.723 -8.235 1.00 30.06 C ATOM 764 CD GLU A 50 -4.886 30.662 -7.976 1.00 34.72 C ATOM 765 OE1 GLU A 50 -4.910 31.839 -8.314 1.00 38.21 O ATOM 766 OE2 GLU A 50 -5.794 30.105 -7.320 1.00 37.93 O ATOM 0 H GLU A 50 -1.248 31.106 -8.496 1.00 19.17 H new ATOM 0 HA GLU A 50 -2.891 31.842 -6.706 1.00 19.01 H new ATOM 0 HB2 GLU A 50 -1.994 29.177 -7.243 1.00 23.75 H new ATOM 0 HB3 GLU A 50 -3.172 29.440 -6.255 1.00 23.75 H new ATOM 0 HG2 GLU A 50 -3.288 29.968 -9.060 1.00 30.06 H new ATOM 0 HG3 GLU A 50 -4.067 28.818 -8.350 1.00 30.06 H new ATOM 773 N PHE A 51 -0.091 30.975 -5.533 1.00 17.06 N ATOM 774 CA PHE A 51 0.767 30.814 -4.370 1.00 17.41 C ATOM 775 C PHE A 51 1.047 32.145 -3.641 1.00 19.04 C ATOM 776 O PHE A 51 1.707 32.098 -2.583 1.00 19.08 O ATOM 777 CB PHE A 51 2.079 30.129 -4.742 1.00 15.91 C ATOM 778 CG PHE A 51 1.967 28.709 -5.153 1.00 16.13 C ATOM 779 CD1 PHE A 51 1.841 28.382 -6.504 1.00 18.12 C ATOM 780 CD2 PHE A 51 1.927 27.690 -4.213 1.00 14.91 C ATOM 781 CE1 PHE A 51 1.716 27.069 -6.916 1.00 17.38 C ATOM 782 CE2 PHE A 51 1.828 26.383 -4.607 1.00 16.59 C ATOM 783 CZ PHE A 51 1.711 26.055 -5.967 1.00 17.92 C ATOM 0 H PHE A 51 0.341 31.023 -6.275 1.00 17.06 H new ATOM 0 HA PHE A 51 0.279 30.247 -3.752 1.00 17.41 H new ATOM 0 HB2 PHE A 51 2.491 30.627 -5.465 1.00 15.91 H new ATOM 0 HB3 PHE A 51 2.680 30.183 -3.982 1.00 15.91 H new ATOM 0 HD1 PHE A 51 1.841 29.061 -7.139 1.00 18.12 H new ATOM 0 HD2 PHE A 51 1.968 27.897 -3.307 1.00 14.91 H new ATOM 0 HE1 PHE A 51 1.636 26.866 -7.820 1.00 17.38 H new ATOM 0 HE2 PHE A 51 1.838 25.707 -3.969 1.00 16.59 H new ATOM 0 HZ PHE A 51 1.631 25.167 -6.230 1.00 17.92 H new ATOM 793 N PHE A 52 0.517 33.202 -4.175 1.00 18.98 N ATOM 794 CA PHE A 52 0.596 34.595 -3.782 1.00 21.45 C ATOM 795 C PHE A 52 -0.770 35.177 -3.395 1.00 22.79 C ATOM 796 O PHE A 52 -1.572 35.647 -4.219 1.00 21.95 O ATOM 797 CB PHE A 52 1.209 35.404 -4.953 1.00 20.83 C ATOM 798 CG PHE A 52 2.615 35.034 -5.275 1.00 20.31 C ATOM 799 CD1 PHE A 52 2.909 34.095 -6.245 1.00 21.24 C ATOM 800 CD2 PHE A 52 3.653 35.677 -4.588 1.00 22.41 C ATOM 801 CE1 PHE A 52 4.240 33.777 -6.560 1.00 22.13 C ATOM 802 CE2 PHE A 52 4.996 35.379 -4.881 1.00 21.06 C ATOM 803 CZ PHE A 52 5.266 34.418 -5.866 1.00 19.88 C ATOM 0 H PHE A 52 0.030 33.120 -4.879 1.00 18.98 H new ATOM 0 HA PHE A 52 1.156 34.656 -2.992 1.00 21.45 H new ATOM 0 HB2 PHE A 52 0.662 35.276 -5.744 1.00 20.83 H new ATOM 0 HB3 PHE A 52 1.175 36.348 -4.734 1.00 20.83 H new ATOM 0 HD1 PHE A 52 2.216 33.668 -6.695 1.00 21.24 H new ATOM 0 HD2 PHE A 52 3.452 36.306 -3.933 1.00 22.41 H new ATOM 0 HE1 PHE A 52 4.434 33.150 -7.219 1.00 22.13 H new ATOM 0 HE2 PHE A 52 5.688 35.809 -4.432 1.00 21.06 H new ATOM 0 HZ PHE A 52 6.150 34.203 -6.061 1.00 19.88 H new ATOM 813 N PRO A 53 -1.019 35.160 -2.101 1.00 24.17 N ATOM 814 CA PRO A 53 -2.287 35.627 -1.553 1.00 25.13 C ATOM 815 C PRO A 53 -2.552 37.097 -1.796 1.00 24.65 C ATOM 816 O PRO A 53 -3.696 37.515 -2.075 1.00 25.14 O ATOM 817 CB PRO A 53 -2.178 35.335 -0.035 1.00 25.81 C ATOM 818 CG PRO A 53 -0.694 35.283 0.227 1.00 25.71 C ATOM 819 CD PRO A 53 -0.119 34.631 -1.048 1.00 24.91 C ATOM 0 HA PRO A 53 -3.031 35.177 -1.984 1.00 25.13 H new ATOM 0 HB2 PRO A 53 -2.606 36.028 0.491 1.00 25.81 H new ATOM 0 HB3 PRO A 53 -2.608 34.497 0.196 1.00 25.81 H new ATOM 0 HG2 PRO A 53 -0.326 36.169 0.371 1.00 25.71 H new ATOM 0 HG3 PRO A 53 -0.490 34.760 1.018 1.00 25.71 H new ATOM 0 HD2 PRO A 53 0.805 34.884 -1.200 1.00 24.91 H new ATOM 0 HD3 PRO A 53 -0.144 33.662 -1.003 1.00 24.91 H new ATOM 827 N LYS A 54 -1.484 37.842 -1.667 1.00 24.10 N ATOM 828 CA LYS A 54 -1.479 39.303 -1.791 1.00 23.76 C ATOM 829 C LYS A 54 -1.858 39.777 -3.178 1.00 23.08 C ATOM 830 O LYS A 54 -2.315 40.942 -3.334 1.00 24.80 O ATOM 831 CB LYS A 54 -0.165 39.838 -1.258 1.00 24.42 C ATOM 832 CG ALYS A 54 0.257 41.287 -1.422 0.50 23.33 C ATOM 833 CG BLYS A 54 0.151 39.429 0.192 0.50 25.10 C ATOM 834 CD ALYS A 54 1.777 41.380 -1.223 0.50 23.37 C ATOM 835 CD BLYS A 54 1.090 40.420 0.841 0.50 27.04 C ATOM 836 CE ALYS A 54 2.387 42.732 -1.459 0.50 23.09 C ATOM 837 CE BLYS A 54 2.203 39.796 1.654 0.50 28.42 C ATOM 838 NZ ALYS A 54 3.870 42.703 -1.340 0.50 19.87 N ATOM 839 NZ BLYS A 54 3.533 39.980 0.986 0.50 29.25 N ATOM 0 H LYS A 54 -0.707 37.514 -1.499 1.00 24.10 H new ATOM 0 HA LYS A 54 -2.182 39.682 -1.241 1.00 23.76 H new ATOM 0 HB2ALYS A 54 -0.157 39.654 -0.306 0.50 24.42 H new ATOM 0 HB2BLYS A 54 0.553 39.530 -1.833 0.50 24.42 H new ATOM 0 HB3ALYS A 54 0.536 39.299 -1.657 0.50 24.42 H new ATOM 0 HB3BLYS A 54 -0.177 40.806 -1.313 0.50 24.42 H new ATOM 0 HG2ALYS A 54 0.012 41.611 -2.303 0.50 25.10 H new ATOM 0 HG2BLYS A 54 -0.672 39.375 0.703 0.50 25.10 H new ATOM 0 HG3ALYS A 54 -0.202 41.847 -0.776 0.50 25.10 H new ATOM 0 HG3BLYS A 54 0.550 38.545 0.203 0.50 25.10 H new ATOM 0 HD2ALYS A 54 1.985 41.104 -0.317 0.50 27.04 H new ATOM 0 HD2BLYS A 54 1.483 40.975 0.150 0.50 27.04 H new ATOM 0 HD3ALYS A 54 2.203 40.743 -1.818 0.50 27.04 H new ATOM 0 HD3BLYS A 54 0.575 41.006 1.417 0.50 27.04 H new ATOM 0 HE2ALYS A 54 2.140 43.047 -2.343 0.50 28.42 H new ATOM 0 HE2BLYS A 54 2.224 40.195 2.538 0.50 28.42 H new ATOM 0 HE3ALYS A 54 2.024 43.366 -0.820 0.50 28.42 H new ATOM 0 HE3BLYS A 54 2.027 38.850 1.775 0.50 28.42 H new ATOM 0 HZ1ALYS A 54 4.129 43.277 -0.711 0.50 29.25 H new ATOM 0 HZ1BLYS A 54 4.163 39.568 1.460 0.50 29.25 H new ATOM 0 HZ2ALYS A 54 4.134 41.882 -1.119 0.50 29.25 H new ATOM 0 HZ2BLYS A 54 3.504 39.633 0.167 0.50 29.25 H new ATOM 0 HZ3ALYS A 54 4.235 42.932 -2.119 0.50 29.25 H new ATOM 0 HZ3BLYS A 54 3.722 40.848 0.934 0.50 29.25 H new ATOM 853 N PHE A 55 -1.744 38.950 -4.185 1.00 22.04 N ATOM 854 CA PHE A 55 -2.030 39.271 -5.578 1.00 21.02 C ATOM 855 C PHE A 55 -3.351 38.692 -6.076 1.00 22.52 C ATOM 856 O PHE A 55 -3.523 38.591 -7.294 1.00 20.96 O ATOM 857 CB PHE A 55 -0.887 38.846 -6.520 1.00 17.38 C ATOM 858 CG PHE A 55 0.487 39.202 -6.081 1.00 13.09 C ATOM 859 CD1 PHE A 55 0.736 40.422 -5.466 1.00 13.36 C ATOM 860 CD2 PHE A 55 1.524 38.310 -6.292 1.00 12.63 C ATOM 861 CE1 PHE A 55 2.043 40.777 -5.056 1.00 11.90 C ATOM 862 CE2 PHE A 55 2.817 38.639 -5.859 1.00 13.52 C ATOM 863 CZ PHE A 55 3.070 39.884 -5.239 1.00 12.19 C ATOM 0 H PHE A 55 -1.484 38.137 -4.080 1.00 22.04 H new ATOM 0 HA PHE A 55 -2.110 40.238 -5.598 1.00 21.02 H new ATOM 0 HB2 PHE A 55 -0.930 37.884 -6.638 1.00 17.38 H new ATOM 0 HB3 PHE A 55 -1.043 39.246 -7.390 1.00 17.38 H new ATOM 0 HD1 PHE A 55 0.034 41.014 -5.322 1.00 13.36 H new ATOM 0 HD2 PHE A 55 1.365 37.499 -6.718 1.00 12.63 H new ATOM 0 HE1 PHE A 55 2.205 41.606 -4.667 1.00 11.90 H new ATOM 0 HE2 PHE A 55 3.513 38.034 -5.981 1.00 13.52 H new ATOM 0 HZ PHE A 55 3.930 40.098 -4.956 1.00 12.19 H new ATOM 873 N LYS A 56 -4.198 38.294 -5.141 1.00 24.47 N ATOM 874 CA LYS A 56 -5.504 37.724 -5.519 1.00 26.88 C ATOM 875 C LYS A 56 -6.305 38.923 -6.051 1.00 26.20 C ATOM 876 O LYS A 56 -6.241 40.029 -5.469 1.00 27.29 O ATOM 877 CB LYS A 56 -6.244 37.135 -4.337 1.00 32.56 C ATOM 878 CG LYS A 56 -5.776 35.773 -3.812 1.00 36.25 C ATOM 879 CD LYS A 56 -6.690 35.373 -2.646 1.00 39.48 C ATOM 880 CE LYS A 56 -6.232 34.131 -1.905 1.00 41.16 C ATOM 881 NZ LYS A 56 -7.251 33.792 -0.850 1.00 43.74 N ATOM 0 H LYS A 56 -4.050 38.339 -4.295 1.00 24.47 H new ATOM 0 HA LYS A 56 -5.389 37.004 -6.159 1.00 26.88 H new ATOM 0 HB2 LYS A 56 -6.193 37.770 -3.606 1.00 32.56 H new ATOM 0 HB3 LYS A 56 -7.180 37.056 -4.580 1.00 32.56 H new ATOM 0 HG2 LYS A 56 -5.814 35.107 -4.516 1.00 36.25 H new ATOM 0 HG3 LYS A 56 -4.853 35.822 -3.518 1.00 36.25 H new ATOM 0 HD2 LYS A 56 -6.743 36.112 -2.020 1.00 39.48 H new ATOM 0 HD3 LYS A 56 -7.586 35.224 -2.985 1.00 39.48 H new ATOM 0 HE2 LYS A 56 -6.129 33.390 -2.523 1.00 41.16 H new ATOM 0 HE3 LYS A 56 -5.365 34.283 -1.498 1.00 41.16 H new ATOM 0 HZ1 LYS A 56 -7.160 32.939 -0.612 1.00 43.74 H new ATOM 0 HZ2 LYS A 56 -7.127 34.313 -0.139 1.00 43.74 H new ATOM 0 HZ3 LYS A 56 -8.069 33.923 -1.174 1.00 43.74 H new ATOM 895 N GLY A 57 -7.002 38.653 -7.136 1.00 24.86 N ATOM 896 CA GLY A 57 -7.810 39.725 -7.738 1.00 22.16 C ATOM 897 C GLY A 57 -7.066 40.490 -8.805 1.00 21.17 C ATOM 898 O GLY A 57 -7.715 41.384 -9.402 1.00 21.23 O ATOM 0 H GLY A 57 -7.030 37.892 -7.535 1.00 24.86 H new ATOM 0 HA2 GLY A 57 -8.614 39.341 -8.122 1.00 22.16 H new ATOM 0 HA3 GLY A 57 -8.093 40.340 -7.043 1.00 22.16 H new ATOM 902 N LEU A 58 -5.784 40.200 -9.038 1.00 18.78 N ATOM 903 CA LEU A 58 -5.074 40.935 -10.132 1.00 18.09 C ATOM 904 C LEU A 58 -5.136 39.908 -11.258 1.00 16.07 C ATOM 905 O LEU A 58 -4.445 38.910 -11.147 1.00 17.06 O ATOM 906 CB LEU A 58 -3.702 41.409 -9.691 1.00 19.25 C ATOM 907 CG LEU A 58 -3.664 42.328 -8.459 1.00 19.39 C ATOM 908 CD1 LEU A 58 -2.233 42.598 -7.994 1.00 19.59 C ATOM 909 CD2 LEU A 58 -4.360 43.602 -8.872 1.00 19.48 C ATOM 0 H LEU A 58 -5.316 39.618 -8.610 1.00 18.78 H new ATOM 0 HA LEU A 58 -5.460 41.779 -10.413 1.00 18.09 H new ATOM 0 HB2 LEU A 58 -3.155 40.629 -9.507 1.00 19.25 H new ATOM 0 HB3 LEU A 58 -3.288 41.877 -10.433 1.00 19.25 H new ATOM 0 HG LEU A 58 -4.106 41.913 -7.702 1.00 19.39 H new ATOM 0 HD11 LEU A 58 -2.249 43.179 -7.218 1.00 19.59 H new ATOM 0 HD12 LEU A 58 -1.805 41.760 -7.761 1.00 19.59 H new ATOM 0 HD13 LEU A 58 -1.736 43.027 -8.708 1.00 19.59 H new ATOM 0 HD21 LEU A 58 -4.366 44.224 -8.128 1.00 19.48 H new ATOM 0 HD22 LEU A 58 -3.890 44.000 -9.621 1.00 19.48 H new ATOM 0 HD23 LEU A 58 -5.273 43.402 -9.133 1.00 19.48 H new ATOM 921 N THR A 59 -6.040 40.139 -12.173 1.00 15.13 N ATOM 922 CA THR A 59 -6.319 39.259 -13.278 1.00 15.94 C ATOM 923 C THR A 59 -5.701 39.647 -14.601 1.00 17.34 C ATOM 924 O THR A 59 -5.666 38.808 -15.508 1.00 18.95 O ATOM 925 CB THR A 59 -7.872 39.006 -13.438 1.00 16.41 C ATOM 926 OG1 THR A 59 -8.439 40.249 -13.967 1.00 18.20 O ATOM 927 CG2 THR A 59 -8.640 38.609 -12.184 1.00 16.51 C ATOM 0 H THR A 59 -6.532 40.844 -12.170 1.00 15.13 H new ATOM 0 HA THR A 59 -5.876 38.432 -13.033 1.00 15.94 H new ATOM 0 HB THR A 59 -7.966 38.235 -14.019 1.00 16.41 H new ATOM 0 HG1 THR A 59 -8.815 40.672 -13.346 1.00 18.20 H new ATOM 0 HG21 THR A 59 -9.576 38.482 -12.404 1.00 16.51 H new ATOM 0 HG22 THR A 59 -8.276 37.782 -11.830 1.00 16.51 H new ATOM 0 HG23 THR A 59 -8.557 39.310 -11.518 1.00 16.51 H new ATOM 935 N THR A 60 -5.193 40.850 -14.750 1.00 18.40 N ATOM 936 CA THR A 60 -4.594 41.362 -15.955 1.00 19.01 C ATOM 937 C THR A 60 -3.160 41.900 -15.746 1.00 18.90 C ATOM 938 O THR A 60 -2.802 42.330 -14.666 1.00 18.08 O ATOM 939 CB THR A 60 -5.430 42.558 -16.581 1.00 19.46 C ATOM 940 OG1 THR A 60 -5.325 43.645 -15.622 1.00 20.31 O ATOM 941 CG2 THR A 60 -6.885 42.200 -16.863 1.00 21.83 C ATOM 0 H THR A 60 -5.189 41.424 -14.110 1.00 18.40 H new ATOM 0 HA THR A 60 -4.579 40.595 -16.549 1.00 19.01 H new ATOM 0 HB THR A 60 -5.074 42.798 -17.451 1.00 19.46 H new ATOM 0 HG1 THR A 60 -5.311 44.379 -16.030 1.00 20.31 H new ATOM 0 HG21 THR A 60 -7.340 42.968 -17.242 1.00 21.83 H new ATOM 0 HG22 THR A 60 -6.921 41.461 -17.490 1.00 21.83 H new ATOM 0 HG23 THR A 60 -7.321 41.943 -16.036 1.00 21.83 H new ATOM 949 N ALA A 61 -2.468 41.866 -16.879 1.00 19.35 N ATOM 950 CA ALA A 61 -1.076 42.341 -16.989 1.00 19.20 C ATOM 951 C ALA A 61 -1.057 43.779 -16.476 1.00 19.20 C ATOM 952 O ALA A 61 -0.207 44.177 -15.713 1.00 19.17 O ATOM 953 CB ALA A 61 -0.601 42.288 -18.433 1.00 17.68 C ATOM 0 H ALA A 61 -2.790 41.565 -17.618 1.00 19.35 H new ATOM 0 HA ALA A 61 -0.480 41.778 -16.470 1.00 19.20 H new ATOM 0 HB1 ALA A 61 0.315 42.604 -18.484 1.00 17.68 H new ATOM 0 HB2 ALA A 61 -0.646 41.374 -18.755 1.00 17.68 H new ATOM 0 HB3 ALA A 61 -1.168 42.852 -18.981 1.00 17.68 H new ATOM 959 N ASP A 62 -2.060 44.535 -16.953 1.00 20.37 N ATOM 960 CA ASP A 62 -2.178 45.955 -16.597 1.00 20.24 C ATOM 961 C ASP A 62 -2.391 46.186 -15.111 1.00 18.28 C ATOM 962 O ASP A 62 -1.840 47.154 -14.596 1.00 17.24 O ATOM 963 CB ASP A 62 -3.174 46.701 -17.463 1.00 25.09 C ATOM 964 CG ASP A 62 -2.659 46.850 -18.889 1.00 28.84 C ATOM 965 OD1 ASP A 62 -3.398 46.374 -19.763 1.00 32.62 O ATOM 966 OD2 ASP A 62 -1.571 47.422 -19.098 1.00 29.66 O ATOM 0 H ASP A 62 -2.675 44.245 -17.479 1.00 20.37 H new ATOM 0 HA ASP A 62 -1.312 46.345 -16.796 1.00 20.24 H new ATOM 0 HB2 ASP A 62 -4.020 46.227 -17.470 1.00 25.09 H new ATOM 0 HB3 ASP A 62 -3.343 47.578 -17.084 1.00 25.09 H new ATOM 971 N GLU A 63 -3.165 45.297 -14.504 1.00 17.53 N ATOM 972 CA GLU A 63 -3.439 45.376 -13.071 1.00 16.40 C ATOM 973 C GLU A 63 -2.189 45.056 -12.256 1.00 15.23 C ATOM 974 O GLU A 63 -1.855 45.692 -11.252 1.00 13.69 O ATOM 975 CB GLU A 63 -4.585 44.435 -12.714 1.00 20.25 C ATOM 976 CG AGLU A 63 -5.977 44.960 -13.171 0.60 22.86 C ATOM 977 CG BGLU A 63 -5.989 45.010 -12.449 0.40 19.59 C ATOM 978 CD AGLU A 63 -7.108 44.011 -12.933 0.60 24.58 C ATOM 979 CD BGLU A 63 -6.951 43.953 -11.955 0.40 19.29 C ATOM 980 OE1AGLU A 63 -6.986 42.944 -12.356 0.60 24.09 O ATOM 981 OE1BGLU A 63 -7.406 43.922 -10.826 0.40 19.23 O ATOM 982 OE2AGLU A 63 -8.193 44.448 -13.390 0.60 26.83 O ATOM 983 OE2BGLU A 63 -7.193 43.106 -12.845 0.40 19.52 O ATOM 0 H GLU A 63 -3.544 44.636 -14.903 1.00 17.53 H new ATOM 0 HA GLU A 63 -3.702 46.284 -12.852 1.00 16.40 H new ATOM 0 HB2AGLU A 63 -4.423 43.569 -13.121 0.60 20.25 H new ATOM 0 HB2BGLU A 63 -4.667 43.791 -13.435 0.40 20.25 H new ATOM 0 HB3AGLU A 63 -4.597 44.299 -11.754 0.60 20.25 H new ATOM 0 HB3BGLU A 63 -4.319 43.942 -11.922 0.40 20.25 H new ATOM 0 HG2AGLU A 63 -6.164 45.791 -12.707 0.60 19.59 H new ATOM 0 HG2BGLU A 63 -5.927 45.722 -11.793 0.40 19.59 H new ATOM 0 HG3AGLU A 63 -5.937 45.166 -14.118 0.60 19.59 H new ATOM 0 HG3BGLU A 63 -6.335 45.405 -13.265 0.40 19.59 H new ATOM 990 N LEU A 64 -1.488 44.036 -12.739 1.00 15.85 N ATOM 991 CA LEU A 64 -0.229 43.548 -12.104 1.00 14.13 C ATOM 992 C LEU A 64 0.792 44.695 -12.201 1.00 13.84 C ATOM 993 O LEU A 64 1.454 45.037 -11.251 1.00 11.72 O ATOM 994 CB LEU A 64 0.269 42.304 -12.833 1.00 11.16 C ATOM 995 CG LEU A 64 -0.387 40.978 -12.569 1.00 13.44 C ATOM 996 CD1 LEU A 64 0.097 39.892 -13.496 1.00 13.22 C ATOM 997 CD2 LEU A 64 -0.163 40.612 -11.085 1.00 11.37 C ATOM 0 H LEU A 64 -1.715 43.597 -13.443 1.00 15.85 H new ATOM 0 HA LEU A 64 -0.369 43.301 -11.176 1.00 14.13 H new ATOM 0 HB2 LEU A 64 0.200 42.478 -13.785 1.00 11.16 H new ATOM 0 HB3 LEU A 64 1.213 42.207 -12.630 1.00 11.16 H new ATOM 0 HG LEU A 64 -1.337 41.057 -12.748 1.00 13.44 H new ATOM 0 HD11 LEU A 64 -0.355 39.060 -13.285 1.00 13.22 H new ATOM 0 HD12 LEU A 64 -0.096 40.140 -14.414 1.00 13.22 H new ATOM 0 HD13 LEU A 64 1.054 39.776 -13.387 1.00 13.22 H new ATOM 0 HD21 LEU A 64 -0.580 39.757 -10.896 1.00 11.37 H new ATOM 0 HD22 LEU A 64 0.789 40.553 -10.906 1.00 11.37 H new ATOM 0 HD23 LEU A 64 -0.556 41.295 -10.520 1.00 11.37 H new ATOM 1009 N LYS A 65 0.915 45.213 -13.410 1.00 15.41 N ATOM 1010 CA LYS A 65 1.855 46.285 -13.691 1.00 18.53 C ATOM 1011 C LYS A 65 1.742 47.480 -12.775 1.00 20.09 C ATOM 1012 O LYS A 65 2.692 48.206 -12.429 1.00 22.69 O ATOM 1013 CB LYS A 65 1.585 46.754 -15.147 1.00 20.40 C ATOM 1014 CG LYS A 65 2.861 46.851 -15.949 1.00 23.57 C ATOM 1015 CD LYS A 65 2.894 48.166 -16.724 1.00 27.15 C ATOM 1016 CE LYS A 65 4.310 48.427 -17.232 1.00 28.15 C ATOM 1017 NZ LYS A 65 4.324 49.702 -18.019 1.00 29.59 N ATOM 0 H LYS A 65 0.458 44.955 -14.091 1.00 15.41 H new ATOM 0 HA LYS A 65 2.747 45.931 -13.554 1.00 18.53 H new ATOM 0 HB2 LYS A 65 0.977 46.134 -15.579 1.00 20.40 H new ATOM 0 HB3 LYS A 65 1.145 47.618 -15.132 1.00 20.40 H new ATOM 0 HG2 LYS A 65 3.628 46.796 -15.358 1.00 23.57 H new ATOM 0 HG3 LYS A 65 2.923 46.103 -16.564 1.00 23.57 H new ATOM 0 HD2 LYS A 65 2.275 48.128 -17.470 1.00 27.15 H new ATOM 0 HD3 LYS A 65 2.606 48.896 -16.153 1.00 27.15 H new ATOM 0 HE2 LYS A 65 4.927 48.488 -16.486 1.00 28.15 H new ATOM 0 HE3 LYS A 65 4.608 47.689 -17.786 1.00 28.15 H new ATOM 0 HZ1 LYS A 65 5.148 49.858 -18.317 1.00 29.59 H new ATOM 0 HZ2 LYS A 65 3.767 49.631 -18.710 1.00 29.59 H new ATOM 0 HZ3 LYS A 65 4.065 50.376 -17.498 1.00 29.59 H new ATOM 1031 N LYS A 66 0.517 47.793 -12.379 1.00 21.41 N ATOM 1032 CA LYS A 66 0.185 48.961 -11.572 1.00 20.72 C ATOM 1033 C LYS A 66 -0.083 48.680 -10.120 1.00 18.50 C ATOM 1034 O LYS A 66 -0.438 49.636 -9.420 1.00 18.21 O ATOM 1035 CB LYS A 66 -1.079 49.648 -12.149 1.00 26.61 C ATOM 1036 CG LYS A 66 -1.183 49.448 -13.662 1.00 32.46 C ATOM 1037 CD LYS A 66 -1.604 50.708 -14.410 1.00 36.98 C ATOM 1038 CE LYS A 66 -0.953 50.684 -15.795 1.00 40.33 C ATOM 1039 NZ LYS A 66 -1.799 51.386 -16.791 1.00 42.70 N ATOM 0 H LYS A 66 -0.170 47.315 -12.579 1.00 21.41 H new ATOM 0 HA LYS A 66 0.975 49.523 -11.614 1.00 20.72 H new ATOM 0 HB2 LYS A 66 -1.870 49.287 -11.718 1.00 26.61 H new ATOM 0 HB3 LYS A 66 -1.054 50.597 -11.948 1.00 26.61 H new ATOM 0 HG2 LYS A 66 -0.325 49.149 -14.002 1.00 32.46 H new ATOM 0 HG3 LYS A 66 -1.822 48.742 -13.845 1.00 32.46 H new ATOM 0 HD2 LYS A 66 -2.570 50.746 -14.491 1.00 36.98 H new ATOM 0 HD3 LYS A 66 -1.329 51.499 -13.921 1.00 36.98 H new ATOM 0 HE2 LYS A 66 -0.080 51.105 -15.753 1.00 40.33 H new ATOM 0 HE3 LYS A 66 -0.813 49.766 -16.074 1.00 40.33 H new ATOM 0 HZ1 LYS A 66 -1.403 51.360 -17.588 1.00 42.70 H new ATOM 0 HZ2 LYS A 66 -2.592 50.986 -16.841 1.00 42.70 H new ATOM 0 HZ3 LYS A 66 -1.910 52.233 -16.542 1.00 42.70 H new ATOM 1053 N SER A 67 0.038 47.441 -9.683 1.00 15.89 N ATOM 1054 CA SER A 67 -0.233 47.178 -8.244 1.00 13.51 C ATOM 1055 C SER A 67 1.006 47.509 -7.429 1.00 12.32 C ATOM 1056 O SER A 67 2.078 46.985 -7.788 1.00 12.54 O ATOM 1057 CB SER A 67 -0.511 45.677 -8.081 1.00 11.72 C ATOM 1058 OG SER A 67 -0.017 45.306 -6.821 1.00 11.10 O ATOM 0 H SER A 67 0.262 46.759 -10.157 1.00 15.89 H new ATOM 0 HA SER A 67 -0.984 47.714 -7.945 1.00 13.51 H new ATOM 0 HB2 SER A 67 -1.462 45.495 -8.145 1.00 11.72 H new ATOM 0 HB3 SER A 67 -0.077 45.169 -8.784 1.00 11.72 H new ATOM 0 HG SER A 67 -0.651 45.267 -6.272 1.00 11.10 H new ATOM 1064 N ALA A 68 0.903 48.284 -6.375 1.00 11.64 N ATOM 1065 CA ALA A 68 2.075 48.596 -5.557 1.00 11.53 C ATOM 1066 C ALA A 68 2.548 47.337 -4.842 1.00 12.59 C ATOM 1067 O ALA A 68 3.729 47.254 -4.467 1.00 11.98 O ATOM 1068 CB ALA A 68 1.725 49.642 -4.508 1.00 13.60 C ATOM 0 H ALA A 68 0.170 48.645 -6.107 1.00 11.64 H new ATOM 0 HA ALA A 68 2.773 48.938 -6.138 1.00 11.53 H new ATOM 0 HB1 ALA A 68 2.510 49.839 -3.973 1.00 13.60 H new ATOM 0 HB2 ALA A 68 1.421 50.452 -4.947 1.00 13.60 H new ATOM 0 HB3 ALA A 68 1.021 49.302 -3.934 1.00 13.60 H new ATOM 1074 N ASP A 69 1.621 46.412 -4.620 1.00 12.77 N ATOM 1075 CA ASP A 69 1.920 45.169 -3.916 1.00 13.46 C ATOM 1076 C ASP A 69 3.000 44.387 -4.694 1.00 11.89 C ATOM 1077 O ASP A 69 3.975 43.892 -4.110 1.00 10.59 O ATOM 1078 CB ASP A 69 0.665 44.314 -3.645 1.00 17.38 C ATOM 1079 CG ASP A 69 -0.208 45.063 -2.615 1.00 20.00 C ATOM 1080 OD1 ASP A 69 -1.197 45.632 -3.076 1.00 21.32 O ATOM 1081 OD2 ASP A 69 0.203 45.084 -1.437 1.00 19.73 O ATOM 0 H ASP A 69 0.802 46.486 -4.872 1.00 12.77 H new ATOM 0 HA ASP A 69 2.265 45.395 -3.038 1.00 13.46 H new ATOM 0 HB2 ASP A 69 0.170 44.168 -4.466 1.00 17.38 H new ATOM 0 HB3 ASP A 69 0.916 43.441 -3.306 1.00 17.38 H new ATOM 1086 N VAL A 70 2.723 44.292 -5.967 1.00 10.74 N ATOM 1087 CA VAL A 70 3.632 43.620 -6.903 1.00 10.92 C ATOM 1088 C VAL A 70 4.958 44.412 -6.874 1.00 10.55 C ATOM 1089 O VAL A 70 6.023 43.765 -6.792 1.00 12.86 O ATOM 1090 CB VAL A 70 3.078 43.611 -8.338 1.00 9.47 C ATOM 1091 CG1 VAL A 70 4.124 43.134 -9.332 1.00 9.89 C ATOM 1092 CG2 VAL A 70 1.810 42.817 -8.529 1.00 11.04 C ATOM 0 H VAL A 70 2.010 44.608 -6.329 1.00 10.74 H new ATOM 0 HA VAL A 70 3.748 42.694 -6.638 1.00 10.92 H new ATOM 0 HB VAL A 70 2.847 44.538 -8.507 1.00 9.47 H new ATOM 0 HG11 VAL A 70 3.747 43.139 -10.226 1.00 9.89 H new ATOM 0 HG12 VAL A 70 4.892 43.725 -9.302 1.00 9.89 H new ATOM 0 HG13 VAL A 70 4.401 42.233 -9.103 1.00 9.89 H new ATOM 0 HG21 VAL A 70 1.534 42.866 -9.458 1.00 11.04 H new ATOM 0 HG22 VAL A 70 1.968 41.891 -8.288 1.00 11.04 H new ATOM 0 HG23 VAL A 70 1.111 43.183 -7.965 1.00 11.04 H new ATOM 1102 N ARG A 71 4.903 45.727 -6.962 1.00 9.43 N ATOM 1103 CA ARG A 71 6.207 46.465 -6.962 1.00 11.08 C ATOM 1104 C ARG A 71 7.048 46.213 -5.733 1.00 9.75 C ATOM 1105 O ARG A 71 8.267 45.950 -5.891 1.00 9.35 O ATOM 1106 CB ARG A 71 6.012 47.955 -7.211 1.00 16.01 C ATOM 1107 CG ARG A 71 7.267 48.836 -7.089 1.00 18.73 C ATOM 1108 CD ARG A 71 7.139 49.777 -5.927 1.00 22.20 C ATOM 1109 NE ARG A 71 8.326 50.611 -5.846 1.00 28.02 N ATOM 1110 CZ ARG A 71 8.384 51.924 -5.679 1.00 31.70 C ATOM 1111 NH1 ARG A 71 7.364 52.780 -5.613 1.00 33.48 N ATOM 1112 NH2 ARG A 71 9.602 52.458 -5.482 1.00 35.12 N ATOM 0 H ARG A 71 4.190 46.204 -7.020 1.00 9.43 H new ATOM 0 HA ARG A 71 6.712 46.100 -7.706 1.00 11.08 H new ATOM 0 HB2 ARG A 71 5.645 48.069 -8.102 1.00 16.01 H new ATOM 0 HB3 ARG A 71 5.347 48.284 -6.586 1.00 16.01 H new ATOM 0 HG2 ARG A 71 8.051 48.277 -6.974 1.00 18.73 H new ATOM 0 HG3 ARG A 71 7.395 49.340 -7.908 1.00 18.73 H new ATOM 0 HD2 ARG A 71 6.349 50.331 -6.032 1.00 22.20 H new ATOM 0 HD3 ARG A 71 7.027 49.276 -5.104 1.00 22.20 H new ATOM 0 HE ARG A 71 9.080 50.204 -5.915 1.00 28.02 H new ATOM 0 HH11 ARG A 71 6.556 52.493 -5.682 1.00 33.48 H new ATOM 0 HH12 ARG A 71 7.514 53.620 -5.502 1.00 33.48 H new ATOM 0 HH21 ARG A 71 10.297 51.951 -5.469 1.00 35.12 H new ATOM 0 HH22 ARG A 71 9.686 53.306 -5.369 1.00 35.12 H new ATOM 1126 N TRP A 72 6.470 46.260 -4.523 1.00 9.00 N ATOM 1127 CA TRP A 72 7.236 46.054 -3.287 1.00 9.97 C ATOM 1128 C TRP A 72 7.789 44.642 -3.177 1.00 10.06 C ATOM 1129 O TRP A 72 8.923 44.386 -2.716 1.00 9.87 O ATOM 1130 CB TRP A 72 6.517 46.506 -1.992 1.00 10.02 C ATOM 1131 CG TRP A 72 6.308 47.987 -1.997 1.00 12.67 C ATOM 1132 CD1 TRP A 72 5.120 48.662 -2.087 1.00 12.66 C ATOM 1133 CD2 TRP A 72 7.334 48.993 -1.994 1.00 12.53 C ATOM 1134 NE1 TRP A 72 5.348 50.000 -2.177 1.00 14.28 N ATOM 1135 CE2 TRP A 72 6.689 50.243 -2.055 1.00 13.01 C ATOM 1136 CE3 TRP A 72 8.724 48.938 -1.937 1.00 13.85 C ATOM 1137 CZ2 TRP A 72 7.378 51.453 -2.057 1.00 12.55 C ATOM 1138 CZ3 TRP A 72 9.418 50.144 -1.947 1.00 14.13 C ATOM 1139 CH2 TRP A 72 8.760 51.363 -2.011 1.00 13.47 C ATOM 0 H TRP A 72 5.632 46.411 -4.399 1.00 9.00 H new ATOM 0 HA TRP A 72 7.991 46.657 -3.368 1.00 9.97 H new ATOM 0 HB2 TRP A 72 5.662 46.054 -1.916 1.00 10.02 H new ATOM 0 HB3 TRP A 72 7.043 46.251 -1.218 1.00 10.02 H new ATOM 0 HD1 TRP A 72 4.280 48.264 -2.087 1.00 12.66 H new ATOM 0 HE1 TRP A 72 4.743 50.600 -2.293 1.00 14.28 H new ATOM 0 HE3 TRP A 72 9.173 48.124 -1.894 1.00 13.85 H new ATOM 0 HZ2 TRP A 72 6.938 52.272 -2.087 1.00 12.55 H new ATOM 0 HZ3 TRP A 72 10.347 50.132 -1.910 1.00 14.13 H new ATOM 0 HH2 TRP A 72 9.263 52.145 -2.023 1.00 13.47 H new ATOM 1150 N HIS A 73 6.972 43.692 -3.594 1.00 9.12 N ATOM 1151 CA HIS A 73 7.399 42.281 -3.568 1.00 7.41 C ATOM 1152 C HIS A 73 8.552 42.098 -4.544 1.00 8.31 C ATOM 1153 O HIS A 73 9.601 41.478 -4.219 1.00 8.37 O ATOM 1154 CB HIS A 73 6.225 41.339 -3.968 1.00 9.23 C ATOM 1155 CG HIS A 73 6.712 39.921 -3.889 1.00 12.81 C ATOM 1156 ND1 HIS A 73 7.045 39.306 -2.705 1.00 14.19 N ATOM 1157 CD2 HIS A 73 6.981 39.032 -4.876 1.00 11.72 C ATOM 1158 CE1 HIS A 73 7.446 38.055 -2.989 1.00 14.73 C ATOM 1159 NE2 HIS A 73 7.415 37.874 -4.289 1.00 11.34 N ATOM 0 H HIS A 73 6.177 43.827 -3.893 1.00 9.12 H new ATOM 0 HA HIS A 73 7.680 42.053 -2.668 1.00 7.41 H new ATOM 0 HB2 HIS A 73 5.469 41.470 -3.375 1.00 9.23 H new ATOM 0 HB3 HIS A 73 5.920 41.542 -4.866 1.00 9.23 H new ATOM 0 HD2 HIS A 73 6.887 39.182 -5.789 1.00 11.72 H new ATOM 0 HE1 HIS A 73 7.705 37.418 -2.363 1.00 14.73 H new ATOM 0 HE2 HIS A 73 7.631 37.151 -4.702 1.00 11.34 H new ATOM 1168 N ALA A 74 8.402 42.585 -5.769 1.00 7.31 N ATOM 1169 CA ALA A 74 9.418 42.454 -6.782 1.00 6.76 C ATOM 1170 C ALA A 74 10.800 42.951 -6.362 1.00 8.25 C ATOM 1171 O ALA A 74 11.822 42.390 -6.813 1.00 7.96 O ATOM 1172 CB ALA A 74 9.013 43.070 -8.098 1.00 9.70 C ATOM 0 H ALA A 74 7.698 43.004 -6.031 1.00 7.31 H new ATOM 0 HA ALA A 74 9.498 41.495 -6.905 1.00 6.76 H new ATOM 0 HB1 ALA A 74 9.728 42.955 -8.743 1.00 9.70 H new ATOM 0 HB2 ALA A 74 8.210 42.635 -8.426 1.00 9.70 H new ATOM 0 HB3 ALA A 74 8.840 44.016 -7.973 1.00 9.70 H new ATOM 1178 N GLU A 75 10.879 44.002 -5.583 1.00 9.35 N ATOM 1179 CA GLU A 75 12.150 44.551 -5.096 1.00 10.50 C ATOM 1180 C GLU A 75 12.850 43.565 -4.170 1.00 10.00 C ATOM 1181 O GLU A 75 14.089 43.517 -4.048 1.00 9.17 O ATOM 1182 CB GLU A 75 11.908 45.884 -4.390 1.00 12.54 C ATOM 1183 CG GLU A 75 12.938 46.356 -3.360 1.00 18.04 C ATOM 1184 CD GLU A 75 12.821 47.836 -3.010 1.00 21.03 C ATOM 1185 OE1 GLU A 75 11.942 48.527 -3.500 1.00 19.65 O ATOM 1186 OE2 GLU A 75 13.740 48.185 -2.191 1.00 22.18 O ATOM 0 H GLU A 75 10.189 44.436 -5.309 1.00 9.35 H new ATOM 0 HA GLU A 75 12.732 44.704 -5.857 1.00 10.50 H new ATOM 0 HB2 GLU A 75 11.834 46.571 -5.071 1.00 12.54 H new ATOM 0 HB3 GLU A 75 11.047 45.832 -3.946 1.00 12.54 H new ATOM 0 HG2 GLU A 75 12.838 45.831 -2.550 1.00 18.04 H new ATOM 0 HG3 GLU A 75 13.829 46.182 -3.702 1.00 18.04 H new ATOM 1193 N ARG A 76 12.080 42.792 -3.405 1.00 10.25 N ATOM 1194 CA ARG A 76 12.655 41.784 -2.495 1.00 10.12 C ATOM 1195 C ARG A 76 13.281 40.689 -3.348 1.00 9.66 C ATOM 1196 O ARG A 76 14.266 40.072 -2.927 1.00 9.44 O ATOM 1197 CB ARG A 76 11.628 41.242 -1.510 1.00 13.03 C ATOM 1198 CG ARG A 76 11.447 42.064 -0.251 1.00 20.95 C ATOM 1199 CD ARG A 76 10.548 41.528 0.792 1.00 25.55 C ATOM 1200 NE ARG A 76 9.174 41.444 0.424 1.00 29.74 N ATOM 1201 CZ ARG A 76 8.222 42.357 0.277 1.00 31.74 C ATOM 1202 NH1 ARG A 76 6.981 41.952 -0.082 1.00 31.77 N ATOM 1203 NH2 ARG A 76 8.406 43.665 0.459 1.00 31.75 N ATOM 0 H ARG A 76 11.221 42.831 -3.394 1.00 10.25 H new ATOM 0 HA ARG A 76 13.338 42.193 -1.941 1.00 10.12 H new ATOM 0 HB2 ARG A 76 10.772 41.175 -1.961 1.00 13.03 H new ATOM 0 HB3 ARG A 76 11.887 40.342 -1.257 1.00 13.03 H new ATOM 0 HG2 ARG A 76 12.321 42.197 0.147 1.00 20.95 H new ATOM 0 HG3 ARG A 76 11.117 42.939 -0.510 1.00 20.95 H new ATOM 0 HD2 ARG A 76 10.856 40.642 1.041 1.00 25.55 H new ATOM 0 HD3 ARG A 76 10.623 42.086 1.582 1.00 25.55 H new ATOM 0 HE ARG A 76 8.909 40.641 0.266 1.00 29.74 H new ATOM 0 HH11 ARG A 76 6.822 41.117 -0.210 1.00 31.77 H new ATOM 0 HH12 ARG A 76 6.352 42.530 -0.182 1.00 31.77 H new ATOM 0 HH21 ARG A 76 9.180 43.963 0.686 1.00 31.75 H new ATOM 0 HH22 ARG A 76 7.751 44.211 0.349 1.00 31.75 H new ATOM 1217 N ILE A 77 12.739 40.412 -4.522 1.00 9.40 N ATOM 1218 CA ILE A 77 13.271 39.364 -5.412 1.00 9.76 C ATOM 1219 C ILE A 77 14.580 39.866 -6.026 1.00 9.20 C ATOM 1220 O ILE A 77 15.532 39.100 -6.073 1.00 9.27 O ATOM 1221 CB ILE A 77 12.295 38.909 -6.547 1.00 10.73 C ATOM 1222 CG1 ILE A 77 11.032 38.224 -5.956 1.00 13.77 C ATOM 1223 CG2 ILE A 77 12.967 37.925 -7.533 1.00 12.27 C ATOM 1224 CD1 ILE A 77 9.943 38.025 -7.082 1.00 15.23 C ATOM 0 H ILE A 77 12.051 40.821 -4.836 1.00 9.40 H new ATOM 0 HA ILE A 77 13.407 38.577 -4.862 1.00 9.76 H new ATOM 0 HB ILE A 77 12.044 39.714 -7.026 1.00 10.73 H new ATOM 0 HG12 ILE A 77 11.271 37.366 -5.572 1.00 13.77 H new ATOM 0 HG13 ILE A 77 10.669 38.765 -5.237 1.00 13.77 H new ATOM 0 HG21 ILE A 77 12.331 37.668 -8.219 1.00 12.27 H new ATOM 0 HG22 ILE A 77 13.732 38.354 -7.947 1.00 12.27 H new ATOM 0 HG23 ILE A 77 13.260 37.135 -7.053 1.00 12.27 H new ATOM 0 HD11 ILE A 77 9.160 37.597 -6.703 1.00 15.23 H new ATOM 0 HD12 ILE A 77 9.694 38.888 -7.448 1.00 15.23 H new ATOM 0 HD13 ILE A 77 10.305 37.467 -7.788 1.00 15.23 H new ATOM 1236 N ILE A 78 14.576 41.126 -6.440 1.00 9.48 N ATOM 1237 CA ILE A 78 15.797 41.711 -7.025 1.00 9.77 C ATOM 1238 C ILE A 78 16.895 41.789 -5.966 1.00 8.91 C ATOM 1239 O ILE A 78 18.084 41.540 -6.283 1.00 8.17 O ATOM 1240 CB ILE A 78 15.555 43.127 -7.643 1.00 11.63 C ATOM 1241 CG1 ILE A 78 14.311 43.023 -8.579 1.00 13.01 C ATOM 1242 CG2 ILE A 78 16.810 43.675 -8.400 1.00 10.77 C ATOM 1243 CD1 ILE A 78 14.660 42.442 -9.993 1.00 12.41 C ATOM 0 H ILE A 78 13.900 41.655 -6.397 1.00 9.48 H new ATOM 0 HA ILE A 78 16.072 41.127 -7.749 1.00 9.77 H new ATOM 0 HB ILE A 78 15.391 43.768 -6.934 1.00 11.63 H new ATOM 0 HG12 ILE A 78 13.642 42.460 -8.159 1.00 13.01 H new ATOM 0 HG13 ILE A 78 13.916 43.903 -8.684 1.00 13.01 H new ATOM 0 HG21 ILE A 78 16.611 44.552 -8.764 1.00 10.77 H new ATOM 0 HG22 ILE A 78 17.556 43.743 -7.784 1.00 10.77 H new ATOM 0 HG23 ILE A 78 17.042 43.071 -9.122 1.00 10.77 H new ATOM 0 HD11 ILE A 78 13.855 42.399 -10.533 1.00 12.41 H new ATOM 0 HD12 ILE A 78 15.310 43.016 -10.428 1.00 12.41 H new ATOM 0 HD13 ILE A 78 15.031 41.551 -9.894 1.00 12.41 H new ATOM 1255 N ASN A 79 16.506 42.193 -4.787 1.00 7.36 N ATOM 1256 CA ASN A 79 17.541 42.300 -3.749 1.00 10.08 C ATOM 1257 C ASN A 79 18.126 40.923 -3.489 1.00 11.02 C ATOM 1258 O ASN A 79 19.327 40.892 -3.190 1.00 13.32 O ATOM 1259 CB ASN A 79 17.128 43.010 -2.486 1.00 12.86 C ATOM 1260 CG ASN A 79 16.951 44.508 -2.680 1.00 18.68 C ATOM 1261 OD1 ASN A 79 16.242 45.178 -1.868 1.00 19.56 O ATOM 1262 ND2 ASN A 79 17.554 45.054 -3.739 1.00 18.53 N ATOM 0 H ASN A 79 15.704 42.403 -4.557 1.00 7.36 H new ATOM 0 HA ASN A 79 18.228 42.888 -4.100 1.00 10.08 H new ATOM 0 HB2 ASN A 79 16.296 42.630 -2.164 1.00 12.86 H new ATOM 0 HB3 ASN A 79 17.795 42.854 -1.800 1.00 12.86 H new ATOM 0 HD21 ASN A 79 17.470 45.896 -3.895 1.00 18.53 H new ATOM 0 HD22 ASN A 79 18.026 44.564 -4.265 1.00 18.53 H new ATOM 1269 N ALA A 80 17.356 39.852 -3.609 1.00 10.65 N ATOM 1270 CA ALA A 80 17.943 38.541 -3.294 1.00 9.83 C ATOM 1271 C ALA A 80 18.905 38.101 -4.376 1.00 8.25 C ATOM 1272 O ALA A 80 19.943 37.519 -4.018 1.00 9.84 O ATOM 1273 CB ALA A 80 16.880 37.497 -2.946 1.00 11.81 C ATOM 0 H ALA A 80 16.533 39.849 -3.857 1.00 10.65 H new ATOM 0 HA ALA A 80 18.471 38.635 -2.486 1.00 9.83 H new ATOM 0 HB1 ALA A 80 17.310 36.651 -2.746 1.00 11.81 H new ATOM 0 HB2 ALA A 80 16.376 37.794 -2.172 1.00 11.81 H new ATOM 0 HB3 ALA A 80 16.279 37.384 -3.699 1.00 11.81 H new ATOM 1279 N VAL A 81 18.611 38.335 -5.597 1.00 7.02 N ATOM 1280 CA VAL A 81 19.479 37.949 -6.704 1.00 8.45 C ATOM 1281 C VAL A 81 20.773 38.786 -6.563 1.00 9.36 C ATOM 1282 O VAL A 81 21.877 38.283 -6.797 1.00 9.38 O ATOM 1283 CB VAL A 81 18.822 38.133 -8.096 1.00 7.05 C ATOM 1284 CG1 VAL A 81 19.844 37.904 -9.174 1.00 3.46 C ATOM 1285 CG2 VAL A 81 17.597 37.254 -8.281 1.00 8.98 C ATOM 0 H VAL A 81 17.889 38.732 -5.842 1.00 7.02 H new ATOM 0 HA VAL A 81 19.667 36.999 -6.655 1.00 8.45 H new ATOM 0 HB VAL A 81 18.502 39.047 -8.159 1.00 7.05 H new ATOM 0 HG11 VAL A 81 19.429 38.020 -10.043 1.00 3.46 H new ATOM 0 HG12 VAL A 81 20.568 38.541 -9.074 1.00 3.46 H new ATOM 0 HG13 VAL A 81 20.195 37.003 -9.101 1.00 3.46 H new ATOM 0 HG21 VAL A 81 17.222 37.403 -9.163 1.00 8.98 H new ATOM 0 HG22 VAL A 81 17.851 36.322 -8.191 1.00 8.98 H new ATOM 0 HG23 VAL A 81 16.935 37.475 -7.607 1.00 8.98 H new ATOM 1295 N ASP A 82 20.551 40.040 -6.234 1.00 8.34 N ATOM 1296 CA ASP A 82 21.670 40.978 -6.078 1.00 10.30 C ATOM 1297 C ASP A 82 22.589 40.415 -5.010 1.00 8.85 C ATOM 1298 O ASP A 82 23.778 40.589 -5.193 1.00 8.97 O ATOM 1299 CB ASP A 82 21.241 42.430 -5.807 1.00 11.81 C ATOM 1300 CG ASP A 82 22.410 43.416 -5.811 1.00 11.82 C ATOM 1301 OD1 ASP A 82 23.055 43.602 -6.817 1.00 10.19 O ATOM 1302 OD2 ASP A 82 22.645 44.051 -4.751 1.00 12.74 O ATOM 0 H ASP A 82 19.772 40.377 -6.095 1.00 8.34 H new ATOM 0 HA ASP A 82 22.144 41.050 -6.921 1.00 10.30 H new ATOM 0 HB2 ASP A 82 20.595 42.701 -6.478 1.00 11.81 H new ATOM 0 HB3 ASP A 82 20.792 42.473 -4.948 1.00 11.81 H new ATOM 1307 N ASP A 83 22.069 39.815 -3.975 1.00 8.90 N ATOM 1308 CA ASP A 83 22.905 39.247 -2.896 1.00 10.45 C ATOM 1309 C ASP A 83 23.810 38.132 -3.416 1.00 10.74 C ATOM 1310 O ASP A 83 24.993 38.045 -2.984 1.00 11.40 O ATOM 1311 CB ASP A 83 22.077 38.786 -1.698 1.00 11.19 C ATOM 1312 CG ASP A 83 21.589 39.924 -0.826 1.00 12.72 C ATOM 1313 OD1 ASP A 83 20.712 39.622 -0.021 1.00 12.87 O ATOM 1314 OD2 ASP A 83 22.083 41.093 -0.950 1.00 14.41 O ATOM 0 H ASP A 83 21.223 39.714 -3.857 1.00 8.90 H new ATOM 0 HA ASP A 83 23.476 39.965 -2.579 1.00 10.45 H new ATOM 0 HB2 ASP A 83 21.312 38.282 -2.017 1.00 11.19 H new ATOM 0 HB3 ASP A 83 22.610 38.181 -1.159 1.00 11.19 H new ATOM 1319 N ALA A 84 23.242 37.323 -4.282 1.00 10.03 N ATOM 1320 CA ALA A 84 23.889 36.193 -4.947 1.00 10.65 C ATOM 1321 C ALA A 84 25.003 36.703 -5.874 1.00 12.01 C ATOM 1322 O ALA A 84 26.140 36.158 -5.913 1.00 11.43 O ATOM 1323 CB ALA A 84 22.853 35.385 -5.743 1.00 8.71 C ATOM 0 H ALA A 84 22.420 37.416 -4.518 1.00 10.03 H new ATOM 0 HA ALA A 84 24.282 35.612 -4.277 1.00 10.65 H new ATOM 0 HB1 ALA A 84 23.291 34.638 -6.180 1.00 8.71 H new ATOM 0 HB2 ALA A 84 22.170 35.051 -5.140 1.00 8.71 H new ATOM 0 HB3 ALA A 84 22.442 35.955 -6.412 1.00 8.71 H new ATOM 1329 N VAL A 85 24.621 37.712 -6.663 1.00 9.47 N ATOM 1330 CA VAL A 85 25.613 38.322 -7.573 1.00 10.35 C ATOM 1331 C VAL A 85 26.827 38.809 -6.760 1.00 11.75 C ATOM 1332 O VAL A 85 27.936 38.334 -7.077 1.00 12.83 O ATOM 1333 CB VAL A 85 24.991 39.339 -8.501 1.00 9.15 C ATOM 1334 CG1 VAL A 85 26.003 40.032 -9.442 1.00 7.75 C ATOM 1335 CG2 VAL A 85 23.895 38.650 -9.374 1.00 9.36 C ATOM 0 H VAL A 85 23.831 38.049 -6.692 1.00 9.47 H new ATOM 0 HA VAL A 85 25.955 37.653 -8.187 1.00 10.35 H new ATOM 0 HB VAL A 85 24.615 40.027 -7.930 1.00 9.15 H new ATOM 0 HG11 VAL A 85 25.537 40.669 -10.006 1.00 7.75 H new ATOM 0 HG12 VAL A 85 26.670 40.497 -8.914 1.00 7.75 H new ATOM 0 HG13 VAL A 85 26.437 39.366 -9.997 1.00 7.75 H new ATOM 0 HG21 VAL A 85 23.497 39.304 -9.969 1.00 9.36 H new ATOM 0 HG22 VAL A 85 24.297 37.940 -9.898 1.00 9.36 H new ATOM 0 HG23 VAL A 85 23.209 38.278 -8.798 1.00 9.36 H new ATOM 1345 N ALA A 86 26.652 39.682 -5.831 1.00 12.30 N ATOM 1346 CA ALA A 86 27.618 40.270 -4.934 1.00 14.86 C ATOM 1347 C ALA A 86 28.530 39.256 -4.243 1.00 15.72 C ATOM 1348 O ALA A 86 29.688 39.575 -3.911 1.00 17.00 O ATOM 1349 CB ALA A 86 26.847 41.033 -3.811 1.00 14.46 C ATOM 0 H ALA A 86 25.866 39.995 -5.679 1.00 12.30 H new ATOM 0 HA ALA A 86 28.178 40.846 -5.478 1.00 14.86 H new ATOM 0 HB1 ALA A 86 27.482 41.435 -3.198 1.00 14.46 H new ATOM 0 HB2 ALA A 86 26.298 41.727 -4.209 1.00 14.46 H new ATOM 0 HB3 ALA A 86 26.281 40.411 -3.327 1.00 14.46 H new ATOM 1355 N SER A 87 28.071 38.063 -4.001 1.00 17.05 N ATOM 1356 CA SER A 87 28.650 36.931 -3.328 1.00 18.47 C ATOM 1357 C SER A 87 29.117 35.772 -4.191 1.00 20.18 C ATOM 1358 O SER A 87 29.240 34.646 -3.630 1.00 20.62 O ATOM 1359 CB SER A 87 27.549 36.295 -2.410 1.00 20.13 C ATOM 1360 OG SER A 87 27.395 37.180 -1.307 1.00 22.75 O ATOM 0 H SER A 87 27.280 37.862 -4.272 1.00 17.05 H new ATOM 0 HA SER A 87 29.429 37.304 -2.887 1.00 18.47 H new ATOM 0 HB2 SER A 87 26.713 36.192 -2.891 1.00 20.13 H new ATOM 0 HB3 SER A 87 27.815 35.411 -2.111 1.00 20.13 H new ATOM 0 HG SER A 87 26.744 37.693 -1.447 1.00 22.75 H new ATOM 1366 N MET A 88 29.296 35.972 -5.474 1.00 20.77 N ATOM 1367 CA MET A 88 29.733 34.905 -6.361 1.00 22.10 C ATOM 1368 C MET A 88 31.073 34.321 -5.928 1.00 22.41 C ATOM 1369 O MET A 88 31.323 33.127 -6.201 1.00 23.15 O ATOM 1370 CB MET A 88 29.902 35.421 -7.810 1.00 22.13 C ATOM 1371 CG MET A 88 28.600 35.330 -8.535 1.00 19.58 C ATOM 1372 SD MET A 88 28.768 35.858 -10.216 1.00 19.22 S ATOM 1373 CE MET A 88 29.483 37.470 -10.295 1.00 16.43 C ATOM 0 H MET A 88 29.170 36.728 -5.864 1.00 20.77 H new ATOM 0 HA MET A 88 29.046 34.222 -6.318 1.00 22.10 H new ATOM 0 HB2 MET A 88 30.213 36.340 -7.801 1.00 22.13 H new ATOM 0 HB3 MET A 88 30.576 34.898 -8.272 1.00 22.13 H new ATOM 0 HG2 MET A 88 28.276 34.416 -8.511 1.00 19.58 H new ATOM 0 HG3 MET A 88 27.937 35.878 -8.086 1.00 19.58 H new ATOM 0 HE1 MET A 88 29.538 37.755 -11.221 1.00 16.43 H new ATOM 0 HE2 MET A 88 28.931 38.094 -9.797 1.00 16.43 H new ATOM 0 HE3 MET A 88 30.373 37.449 -9.911 1.00 16.43 H new ATOM 1383 N ASP A 89 31.933 35.151 -5.367 1.00 22.84 N ATOM 1384 CA ASP A 89 33.273 34.676 -4.988 1.00 24.24 C ATOM 1385 C ASP A 89 33.330 34.009 -3.617 1.00 23.79 C ATOM 1386 O ASP A 89 34.446 33.529 -3.274 1.00 25.80 O ATOM 1387 CB ASP A 89 34.304 35.801 -4.998 1.00 26.15 C ATOM 1388 CG ASP A 89 34.340 36.690 -6.217 1.00 28.05 C ATOM 1389 OD1 ASP A 89 34.212 37.920 -6.095 1.00 28.83 O ATOM 1390 OD2 ASP A 89 34.570 36.072 -7.284 1.00 29.94 O ATOM 0 H ASP A 89 31.776 35.979 -5.195 1.00 22.84 H new ATOM 0 HA ASP A 89 33.484 34.013 -5.664 1.00 24.24 H new ATOM 0 HB2 ASP A 89 34.146 36.361 -4.222 1.00 26.15 H new ATOM 0 HB3 ASP A 89 35.183 35.405 -4.888 1.00 26.15 H new ATOM 1395 N ASP A 90 32.265 34.069 -2.880 1.00 22.82 N ATOM 1396 CA ASP A 90 32.211 33.566 -1.506 1.00 21.59 C ATOM 1397 C ASP A 90 31.047 32.586 -1.356 1.00 20.73 C ATOM 1398 O ASP A 90 30.000 32.959 -0.803 1.00 19.89 O ATOM 1399 CB ASP A 90 32.075 34.725 -0.525 1.00 22.40 C ATOM 1400 CG ASP A 90 32.175 34.279 0.929 1.00 26.35 C ATOM 1401 OD1 ASP A 90 32.334 35.128 1.832 1.00 26.18 O ATOM 1402 OD2 ASP A 90 32.108 33.048 1.177 1.00 26.58 O ATOM 0 H ASP A 90 31.523 34.408 -3.153 1.00 22.82 H new ATOM 0 HA ASP A 90 33.036 33.097 -1.306 1.00 21.59 H new ATOM 0 HB2 ASP A 90 32.766 35.381 -0.707 1.00 22.40 H new ATOM 0 HB3 ASP A 90 31.222 35.165 -0.667 1.00 22.40 H new ATOM 1407 N THR A 91 31.347 31.399 -1.808 1.00 20.06 N ATOM 1408 CA THR A 91 30.381 30.279 -1.789 1.00 19.15 C ATOM 1409 C THR A 91 29.726 30.070 -0.459 1.00 19.00 C ATOM 1410 O THR A 91 28.515 29.728 -0.344 1.00 17.68 O ATOM 1411 CB THR A 91 31.096 29.027 -2.426 1.00 19.48 C ATOM 1412 OG1 THR A 91 30.942 29.295 -3.862 1.00 21.67 O ATOM 1413 CG2 THR A 91 30.595 27.655 -2.049 1.00 20.15 C ATOM 0 H THR A 91 32.114 31.196 -2.140 1.00 20.06 H new ATOM 0 HA THR A 91 29.606 30.484 -2.335 1.00 19.15 H new ATOM 0 HB THR A 91 32.005 28.958 -2.096 1.00 19.48 H new ATOM 0 HG1 THR A 91 31.298 28.675 -4.303 1.00 21.67 H new ATOM 0 HG21 THR A 91 31.120 26.981 -2.509 1.00 20.15 H new ATOM 0 HG22 THR A 91 30.679 27.532 -1.091 1.00 20.15 H new ATOM 0 HG23 THR A 91 29.663 27.569 -2.305 1.00 20.15 H new ATOM 1421 N GLU A 92 30.509 30.284 0.606 1.00 17.61 N ATOM 1422 CA GLU A 92 29.959 30.113 1.941 1.00 17.52 C ATOM 1423 C GLU A 92 28.928 31.195 2.193 1.00 16.77 C ATOM 1424 O GLU A 92 27.860 30.943 2.742 1.00 16.92 O ATOM 1425 CB GLU A 92 31.035 30.132 3.032 1.00 20.03 C ATOM 1426 CG GLU A 92 30.619 29.825 4.453 1.00 23.21 C ATOM 1427 CD GLU A 92 31.621 30.150 5.539 1.00 27.02 C ATOM 1428 OE1 GLU A 92 32.720 30.671 5.294 1.00 28.57 O ATOM 1429 OE2 GLU A 92 31.191 29.850 6.674 1.00 25.93 O ATOM 0 H GLU A 92 31.335 30.521 0.573 1.00 17.61 H new ATOM 0 HA GLU A 92 29.544 29.237 1.982 1.00 17.52 H new ATOM 0 HB2 GLU A 92 31.723 29.496 2.781 1.00 20.03 H new ATOM 0 HB3 GLU A 92 31.446 31.011 3.027 1.00 20.03 H new ATOM 0 HG2 GLU A 92 29.801 30.311 4.641 1.00 23.21 H new ATOM 0 HG3 GLU A 92 30.407 28.880 4.509 1.00 23.21 H new ATOM 1436 N LYS A 93 29.184 32.434 1.803 1.00 17.49 N ATOM 1437 CA LYS A 93 28.163 33.477 2.058 1.00 18.50 C ATOM 1438 C LYS A 93 26.942 33.219 1.152 1.00 18.81 C ATOM 1439 O LYS A 93 25.810 33.180 1.635 1.00 18.80 O ATOM 1440 CB LYS A 93 28.680 34.875 1.886 1.00 19.94 C ATOM 1441 CG ALYS A 93 27.852 36.020 2.490 0.50 20.38 C ATOM 1442 CG BLYS A 93 27.774 35.930 2.559 0.50 21.39 C ATOM 1443 CD ALYS A 93 28.264 37.345 1.850 0.50 21.05 C ATOM 1444 CD BLYS A 93 28.505 37.226 2.842 0.50 23.14 C ATOM 1445 CE ALYS A 93 28.479 38.460 2.826 0.50 22.40 C ATOM 1446 CE BLYS A 93 28.531 37.576 4.312 0.50 24.62 C ATOM 1447 NZ ALYS A 93 27.501 39.569 2.725 0.50 22.47 N ATOM 1448 NZ BLYS A 93 27.924 38.916 4.591 0.50 26.11 N ATOM 0 H LYS A 93 29.901 32.697 1.408 1.00 17.49 H new ATOM 0 HA LYS A 93 27.905 33.412 2.991 1.00 18.50 H new ATOM 0 HB2ALYS A 93 29.569 34.914 2.271 0.50 19.94 H new ATOM 0 HB2BLYS A 93 29.573 34.934 2.260 0.50 19.94 H new ATOM 0 HB3ALYS A 93 28.775 35.044 0.935 0.50 19.94 H new ATOM 0 HB3BLYS A 93 28.755 35.074 0.940 0.50 19.94 H new ATOM 0 HG2ALYS A 93 26.907 35.860 2.343 0.50 21.39 H new ATOM 0 HG2BLYS A 93 27.012 36.110 1.986 0.50 21.39 H new ATOM 0 HG3ALYS A 93 27.988 36.058 3.450 0.50 21.39 H new ATOM 0 HG3BLYS A 93 27.426 35.570 3.390 0.50 21.39 H new ATOM 0 HD2ALYS A 93 29.081 37.208 1.346 0.50 23.14 H new ATOM 0 HD2BLYS A 93 29.415 37.157 2.514 0.50 23.14 H new ATOM 0 HD3ALYS A 93 27.581 37.612 1.215 0.50 23.14 H new ATOM 0 HD3BLYS A 93 28.080 37.946 2.350 0.50 23.14 H new ATOM 0 HE2ALYS A 93 28.446 38.097 3.725 0.50 24.62 H new ATOM 0 HE2BLYS A 93 28.052 36.897 4.812 0.50 24.62 H new ATOM 0 HE3ALYS A 93 29.371 38.819 2.697 0.50 24.62 H new ATOM 0 HE3BLYS A 93 29.448 37.567 4.628 0.50 24.62 H new ATOM 0 HZ1ALYS A 93 27.931 40.329 2.554 0.50 26.11 H new ATOM 0 HZ1BLYS A 93 28.063 39.133 5.443 0.50 26.11 H new ATOM 0 HZ2ALYS A 93 26.926 39.399 2.067 0.50 26.11 H new ATOM 0 HZ2BLYS A 93 28.299 39.528 4.064 0.50 26.11 H new ATOM 0 HZ3ALYS A 93 27.058 39.645 3.493 0.50 26.11 H new ATOM 0 HZ3BLYS A 93 27.049 38.885 4.432 0.50 26.11 H new ATOM 1462 N MET A 94 27.191 33.085 -0.133 1.00 18.41 N ATOM 1463 CA MET A 94 26.126 32.833 -1.108 1.00 18.73 C ATOM 1464 C MET A 94 25.148 31.792 -0.572 1.00 19.41 C ATOM 1465 O MET A 94 23.960 32.063 -0.404 1.00 19.71 O ATOM 1466 CB MET A 94 26.663 32.366 -2.448 1.00 18.00 C ATOM 1467 CG MET A 94 25.706 32.808 -3.528 1.00 20.27 C ATOM 1468 SD MET A 94 25.867 31.708 -4.955 1.00 24.19 S ATOM 1469 CE MET A 94 26.720 32.608 -6.207 1.00 19.24 C ATOM 0 H MET A 94 27.978 33.136 -0.475 1.00 18.41 H new ATOM 0 HA MET A 94 25.672 33.679 -1.246 1.00 18.73 H new ATOM 0 HB2 MET A 94 27.545 32.738 -2.606 1.00 18.00 H new ATOM 0 HB3 MET A 94 26.757 31.401 -2.455 1.00 18.00 H new ATOM 0 HG2 MET A 94 24.795 32.791 -3.195 1.00 20.27 H new ATOM 0 HG3 MET A 94 25.896 33.723 -3.788 1.00 20.27 H new ATOM 0 HE1 MET A 94 26.295 32.451 -7.065 1.00 19.24 H new ATOM 0 HE2 MET A 94 26.692 33.555 -6.001 1.00 19.24 H new ATOM 0 HE3 MET A 94 27.643 32.313 -6.245 1.00 19.24 H new ATOM 1479 N SER A 95 25.650 30.602 -0.322 1.00 19.25 N ATOM 1480 CA SER A 95 24.897 29.450 0.136 1.00 19.63 C ATOM 1481 C SER A 95 24.012 29.633 1.349 1.00 19.83 C ATOM 1482 O SER A 95 22.909 29.105 1.432 1.00 19.07 O ATOM 1483 CB SER A 95 25.935 28.323 0.465 1.00 18.96 C ATOM 1484 OG SER A 95 26.401 27.929 -0.835 1.00 20.95 O ATOM 0 H SER A 95 26.487 30.432 -0.420 1.00 19.25 H new ATOM 0 HA SER A 95 24.280 29.247 -0.584 1.00 19.63 H new ATOM 0 HB2 SER A 95 26.658 28.651 1.022 1.00 18.96 H new ATOM 0 HB3 SER A 95 25.525 27.583 0.940 1.00 18.96 H new ATOM 0 HG SER A 95 27.110 28.341 -1.015 1.00 20.95 H new ATOM 1490 N MET A 96 24.609 30.286 2.329 1.00 20.30 N ATOM 1491 CA MET A 96 24.005 30.545 3.650 1.00 20.56 C ATOM 1492 C MET A 96 22.640 31.219 3.547 1.00 18.10 C ATOM 1493 O MET A 96 21.616 30.800 4.083 1.00 16.43 O ATOM 1494 CB MET A 96 25.038 31.412 4.395 1.00 23.90 C ATOM 1495 CG MET A 96 24.884 31.429 5.866 1.00 27.35 C ATOM 1496 SD MET A 96 25.950 32.791 6.481 1.00 30.86 S ATOM 1497 CE MET A 96 27.568 32.175 6.025 1.00 29.79 C ATOM 0 H MET A 96 25.404 30.606 2.254 1.00 20.30 H new ATOM 0 HA MET A 96 23.821 29.721 4.127 1.00 20.56 H new ATOM 0 HB2 MET A 96 25.928 31.091 4.179 1.00 23.90 H new ATOM 0 HB3 MET A 96 24.977 32.322 4.065 1.00 23.90 H new ATOM 0 HG2 MET A 96 23.958 31.575 6.115 1.00 27.35 H new ATOM 0 HG3 MET A 96 25.151 30.580 6.252 1.00 27.35 H new ATOM 0 HE1 MET A 96 28.249 32.657 6.519 1.00 29.79 H new ATOM 0 HE2 MET A 96 27.625 31.230 6.235 1.00 29.79 H new ATOM 0 HE3 MET A 96 27.707 32.304 5.074 1.00 29.79 H new ATOM 1507 N LYS A 97 22.639 32.330 2.815 1.00 18.49 N ATOM 1508 CA LYS A 97 21.388 33.101 2.665 1.00 18.33 C ATOM 1509 C LYS A 97 20.391 32.360 1.797 1.00 15.31 C ATOM 1510 O LYS A 97 19.186 32.492 2.120 1.00 16.94 O ATOM 1511 CB LYS A 97 21.638 34.511 2.162 1.00 22.29 C ATOM 1512 CG ALYS A 97 22.419 35.402 3.146 0.50 24.53 C ATOM 1513 CG BLYS A 97 21.536 35.580 3.272 0.50 23.71 C ATOM 1514 CD ALYS A 97 23.158 36.485 2.363 0.50 26.87 C ATOM 1515 CD BLYS A 97 21.978 36.933 2.730 0.50 26.57 C ATOM 1516 CE ALYS A 97 23.918 37.443 3.258 0.50 28.91 C ATOM 1517 CE BLYS A 97 23.157 37.527 3.456 0.50 28.47 C ATOM 1518 NZ ALYS A 97 25.145 36.833 3.814 0.50 28.60 N ATOM 1519 NZ BLYS A 97 24.092 38.210 2.500 0.50 29.49 N ATOM 0 H LYS A 97 23.323 32.653 2.406 1.00 18.49 H new ATOM 0 HA LYS A 97 20.999 33.191 3.549 1.00 18.33 H new ATOM 0 HB2ALYS A 97 22.127 34.463 1.326 0.50 22.29 H new ATOM 0 HB2BLYS A 97 22.520 34.553 1.760 0.50 22.29 H new ATOM 0 HB3ALYS A 97 20.785 34.931 1.968 0.50 22.29 H new ATOM 0 HB3BLYS A 97 20.998 34.717 1.463 0.50 22.29 H new ATOM 0 HG2ALYS A 97 21.812 35.807 3.785 0.50 23.71 H new ATOM 0 HG2BLYS A 97 20.623 35.635 3.596 0.50 23.71 H new ATOM 0 HG3ALYS A 97 23.049 34.867 3.653 0.50 23.71 H new ATOM 0 HG3BLYS A 97 22.091 35.328 4.027 0.50 23.71 H new ATOM 0 HD2ALYS A 97 23.777 36.066 1.745 0.50 26.57 H new ATOM 0 HD2BLYS A 97 22.202 36.838 1.791 0.50 26.57 H new ATOM 0 HD3ALYS A 97 22.520 36.985 1.830 0.50 26.57 H new ATOM 0 HD3BLYS A 97 21.233 37.551 2.782 0.50 26.57 H new ATOM 0 HE2ALYS A 97 24.154 38.237 2.753 0.50 28.47 H new ATOM 0 HE2BLYS A 97 22.846 38.163 4.119 0.50 28.47 H new ATOM 0 HE3ALYS A 97 23.343 37.729 3.985 0.50 28.47 H new ATOM 0 HE3BLYS A 97 23.631 36.829 3.934 0.50 28.47 H new ATOM 0 HZ1ALYS A 97 25.099 36.831 4.703 0.50 29.49 H new ATOM 0 HZ1BLYS A 97 24.839 38.438 2.927 0.50 29.49 H new ATOM 0 HZ2ALYS A 97 25.221 35.997 3.519 0.50 29.49 H new ATOM 0 HZ2BLYS A 97 24.289 37.657 1.831 0.50 29.49 H new ATOM 0 HZ3ALYS A 97 25.854 37.304 3.555 0.50 29.49 H new ATOM 0 HZ3BLYS A 97 23.702 38.941 2.175 0.50 29.49 H new ATOM 1533 N LEU A 98 20.848 31.660 0.781 1.00 11.96 N ATOM 1534 CA LEU A 98 19.935 30.937 -0.117 1.00 10.58 C ATOM 1535 C LEU A 98 19.315 29.732 0.559 1.00 11.09 C ATOM 1536 O LEU A 98 18.189 29.367 0.295 1.00 7.78 O ATOM 1537 CB LEU A 98 20.635 30.664 -1.451 1.00 7.66 C ATOM 1538 CG LEU A 98 20.768 31.923 -2.307 1.00 8.25 C ATOM 1539 CD1 LEU A 98 21.710 31.668 -3.489 1.00 8.41 C ATOM 1540 CD2 LEU A 98 19.382 32.225 -2.906 1.00 9.56 C ATOM 0 H LEU A 98 21.681 31.583 0.583 1.00 11.96 H new ATOM 0 HA LEU A 98 19.168 31.491 -0.330 1.00 10.58 H new ATOM 0 HB2 LEU A 98 21.517 30.296 -1.282 1.00 7.66 H new ATOM 0 HB3 LEU A 98 20.137 29.992 -1.943 1.00 7.66 H new ATOM 0 HG LEU A 98 21.108 32.648 -1.759 1.00 8.25 H new ATOM 0 HD11 LEU A 98 21.785 32.474 -4.023 1.00 8.41 H new ATOM 0 HD12 LEU A 98 22.586 31.418 -3.157 1.00 8.41 H new ATOM 0 HD13 LEU A 98 21.356 30.950 -4.036 1.00 8.41 H new ATOM 0 HD21 LEU A 98 19.434 33.022 -3.457 1.00 9.56 H new ATOM 0 HD22 LEU A 98 19.094 31.475 -3.449 1.00 9.56 H new ATOM 0 HD23 LEU A 98 18.744 32.369 -2.190 1.00 9.56 H new ATOM 1552 N ARG A 99 20.122 29.079 1.414 1.00 10.61 N ATOM 1553 CA ARG A 99 19.613 27.949 2.162 1.00 11.29 C ATOM 1554 C ARG A 99 18.473 28.429 3.071 1.00 9.39 C ATOM 1555 O ARG A 99 17.564 27.631 3.280 1.00 10.01 O ATOM 1556 CB ARG A 99 20.668 27.206 2.973 1.00 12.60 C ATOM 1557 CG ARG A 99 21.433 26.104 2.301 1.00 14.45 C ATOM 1558 CD AARG A 99 22.246 25.345 3.339 0.50 14.38 C ATOM 1559 CD BARG A 99 21.784 24.969 3.256 0.50 14.03 C ATOM 1560 NE AARG A 99 23.312 26.126 3.933 0.50 13.51 N ATOM 1561 NE BARG A 99 22.997 25.013 2.480 0.50 12.07 N ATOM 1562 CZ AARG A 99 24.552 26.213 3.428 0.50 14.21 C ATOM 1563 CZ BARG A 99 23.440 24.327 1.456 0.50 10.58 C ATOM 1564 NH1AARG A 99 24.916 25.544 2.330 0.50 14.52 N ATOM 1565 NH1BARG A 99 22.763 23.399 0.792 0.50 10.41 N ATOM 1566 NH2AARG A 99 25.448 27.013 4.003 0.50 13.52 N ATOM 1567 NH2BARG A 99 24.710 24.593 1.092 0.50 10.32 N ATOM 0 H ARG A 99 20.945 29.278 1.564 1.00 10.61 H new ATOM 0 HA ARG A 99 19.292 27.303 1.514 1.00 11.29 H new ATOM 0 HB2 ARG A 99 21.309 27.859 3.294 1.00 12.60 H new ATOM 0 HB3 ARG A 99 20.231 26.830 3.754 1.00 12.60 H new ATOM 0 HG2AARG A 99 20.821 25.501 1.851 0.50 14.45 H new ATOM 0 HG2BARG A 99 20.908 25.752 1.565 0.50 14.45 H new ATOM 0 HG3AARG A 99 22.020 26.472 1.622 0.50 14.45 H new ATOM 0 HG3BARG A 99 22.248 26.466 1.920 0.50 14.45 H new ATOM 0 HD2AARG A 99 21.652 25.038 4.041 0.50 14.03 H new ATOM 0 HD2BARG A 99 21.855 25.191 4.197 0.50 14.03 H new ATOM 0 HD3AARG A 99 22.627 24.555 2.924 0.50 14.03 H new ATOM 0 HD3BARG A 99 21.251 24.161 3.195 0.50 14.03 H new ATOM 0 HE AARG A 99 23.139 26.561 4.654 0.50 12.07 H new ATOM 0 HE BARG A 99 23.547 25.618 2.746 0.50 12.07 H new ATOM 0 HH11AARG A 99 24.349 25.040 1.926 0.50 10.41 H new ATOM 0 HH11BARG A 99 21.959 23.203 1.026 0.50 10.41 H new ATOM 0 HH12AARG A 99 25.718 25.618 2.027 0.50 10.41 H new ATOM 0 HH12BARG A 99 23.128 22.993 0.128 0.50 10.41 H new ATOM 0 HH21AARG A 99 25.231 27.473 4.697 0.50 10.32 H new ATOM 0 HH21BARG A 99 25.168 25.178 1.525 0.50 10.32 H new ATOM 0 HH22AARG A 99 26.243 27.070 3.681 0.50 10.32 H new ATOM 0 HH22BARG A 99 25.063 24.177 0.427 0.50 10.32 H new ATOM 1581 N ASN A 100 18.617 29.597 3.639 1.00 10.10 N ATOM 1582 CA ASN A 100 17.660 30.258 4.549 1.00 10.38 C ATOM 1583 C ASN A 100 16.333 30.520 3.806 1.00 9.92 C ATOM 1584 O ASN A 100 15.227 30.280 4.307 1.00 9.29 O ATOM 1585 CB ASN A 100 18.254 31.549 5.154 1.00 11.25 C ATOM 1586 CG ASN A 100 17.246 32.303 6.043 1.00 14.94 C ATOM 1587 OD1 ASN A 100 16.821 31.746 7.101 1.00 15.49 O ATOM 1588 ND2 ASN A 100 16.817 33.502 5.675 1.00 11.55 N ATOM 0 H ASN A 100 19.319 30.075 3.507 1.00 10.10 H new ATOM 0 HA ASN A 100 17.477 29.667 5.296 1.00 10.38 H new ATOM 0 HB2 ASN A 100 19.039 31.325 5.678 1.00 11.25 H new ATOM 0 HB3 ASN A 100 18.548 32.133 4.437 1.00 11.25 H new ATOM 0 HD21 ASN A 100 16.239 33.918 6.157 1.00 11.55 H new ATOM 0 HD22 ASN A 100 17.117 33.863 4.954 1.00 11.55 H new ATOM 1595 N LEU A 101 16.487 31.005 2.573 1.00 9.51 N ATOM 1596 CA LEU A 101 15.370 31.354 1.685 1.00 9.73 C ATOM 1597 C LEU A 101 14.578 30.116 1.288 1.00 10.94 C ATOM 1598 O LEU A 101 13.350 30.248 1.180 1.00 10.08 O ATOM 1599 CB LEU A 101 15.934 32.182 0.553 1.00 11.86 C ATOM 1600 CG LEU A 101 15.124 33.260 -0.115 1.00 16.22 C ATOM 1601 CD1 LEU A 101 14.233 34.044 0.846 1.00 13.66 C ATOM 1602 CD2 LEU A 101 16.156 34.221 -0.794 1.00 14.34 C ATOM 0 H LEU A 101 17.259 31.144 2.220 1.00 9.51 H new ATOM 0 HA LEU A 101 14.702 31.902 2.126 1.00 9.73 H new ATOM 0 HB2 LEU A 101 16.741 32.603 0.887 1.00 11.86 H new ATOM 0 HB3 LEU A 101 16.204 31.562 -0.142 1.00 11.86 H new ATOM 0 HG LEU A 101 14.514 32.852 -0.750 1.00 16.22 H new ATOM 0 HD11 LEU A 101 13.741 34.719 0.353 1.00 13.66 H new ATOM 0 HD12 LEU A 101 13.609 33.439 1.275 1.00 13.66 H new ATOM 0 HD13 LEU A 101 14.783 34.473 1.520 1.00 13.66 H new ATOM 0 HD21 LEU A 101 15.683 34.939 -1.242 1.00 14.34 H new ATOM 0 HD22 LEU A 101 16.744 34.594 -0.119 1.00 14.34 H new ATOM 0 HD23 LEU A 101 16.681 33.726 -1.442 1.00 14.34 H new ATOM 1614 N SER A 102 15.312 29.034 1.110 1.00 9.79 N ATOM 1615 CA SER A 102 14.825 27.710 0.800 1.00 12.30 C ATOM 1616 C SER A 102 13.861 27.182 1.870 1.00 12.86 C ATOM 1617 O SER A 102 12.747 26.693 1.602 1.00 13.31 O ATOM 1618 CB SER A 102 15.973 26.701 0.655 1.00 12.56 C ATOM 1619 OG SER A 102 15.415 25.445 0.240 1.00 10.69 O ATOM 0 H SER A 102 16.169 29.058 1.172 1.00 9.79 H new ATOM 0 HA SER A 102 14.354 27.797 -0.044 1.00 12.30 H new ATOM 0 HB2 SER A 102 16.620 27.016 0.004 1.00 12.56 H new ATOM 0 HB3 SER A 102 16.444 26.601 1.497 1.00 12.56 H new ATOM 0 HG SER A 102 14.899 25.569 -0.411 1.00 10.69 H new ATOM 1625 N GLY A 103 14.323 27.318 3.096 1.00 13.88 N ATOM 1626 CA GLY A 103 13.583 26.893 4.297 1.00 15.21 C ATOM 1627 C GLY A 103 12.296 27.709 4.425 1.00 16.54 C ATOM 1628 O GLY A 103 11.243 27.116 4.714 1.00 15.82 O ATOM 0 H GLY A 103 15.090 27.666 3.271 1.00 13.88 H new ATOM 0 HA2 GLY A 103 13.373 25.948 4.240 1.00 15.21 H new ATOM 0 HA3 GLY A 103 14.133 27.014 5.087 1.00 15.21 H new ATOM 1632 N LYS A 104 12.409 29.014 4.199 1.00 15.98 N ATOM 1633 CA LYS A 104 11.215 29.879 4.275 1.00 17.06 C ATOM 1634 C LYS A 104 10.181 29.470 3.220 1.00 18.25 C ATOM 1635 O LYS A 104 8.967 29.372 3.470 1.00 18.79 O ATOM 1636 CB LYS A 104 11.552 31.334 4.109 1.00 18.49 C ATOM 1637 CG LYS A 104 12.415 31.991 5.190 1.00 19.30 C ATOM 1638 CD LYS A 104 12.762 33.436 4.767 1.00 19.99 C ATOM 1639 CE LYS A 104 13.312 34.188 5.969 1.00 22.65 C ATOM 1640 NZ LYS A 104 14.559 34.905 5.560 1.00 26.75 N ATOM 0 H LYS A 104 13.143 29.418 4.005 1.00 15.98 H new ATOM 0 HA LYS A 104 10.841 29.759 5.162 1.00 17.06 H new ATOM 0 HB2 LYS A 104 12.006 31.440 3.259 1.00 18.49 H new ATOM 0 HB3 LYS A 104 10.720 31.829 4.050 1.00 18.49 H new ATOM 0 HG2 LYS A 104 11.941 31.997 6.036 1.00 19.30 H new ATOM 0 HG3 LYS A 104 13.228 31.479 5.324 1.00 19.30 H new ATOM 0 HD2 LYS A 104 13.416 33.427 4.050 1.00 19.99 H new ATOM 0 HD3 LYS A 104 11.972 33.883 4.425 1.00 19.99 H new ATOM 0 HE2 LYS A 104 12.654 34.820 6.299 1.00 22.65 H new ATOM 0 HE3 LYS A 104 13.502 33.571 6.693 1.00 22.65 H new ATOM 0 HZ1 LYS A 104 15.080 35.024 6.271 1.00 26.75 H new ATOM 0 HZ2 LYS A 104 14.993 34.422 4.952 1.00 26.75 H new ATOM 0 HZ3 LYS A 104 14.346 35.697 5.213 1.00 26.75 H new ATOM 1654 N HIS A 105 10.650 29.255 2.004 1.00 17.43 N ATOM 1655 CA HIS A 105 9.798 28.848 0.906 1.00 16.81 C ATOM 1656 C HIS A 105 9.161 27.492 1.148 1.00 17.48 C ATOM 1657 O HIS A 105 8.009 27.302 0.744 1.00 18.09 O ATOM 1658 CB HIS A 105 10.583 28.798 -0.433 1.00 13.62 C ATOM 1659 CG HIS A 105 10.696 30.173 -1.055 1.00 11.09 C ATOM 1660 ND1 HIS A 105 11.598 31.123 -0.728 1.00 9.73 N ATOM 1661 CD2 HIS A 105 9.923 30.691 -2.040 1.00 9.28 C ATOM 1662 CE1 HIS A 105 11.406 32.177 -1.500 1.00 9.71 C ATOM 1663 NE2 HIS A 105 10.381 31.941 -2.313 1.00 7.84 N ATOM 0 H HIS A 105 11.479 29.342 1.791 1.00 17.43 H new ATOM 0 HA HIS A 105 9.098 29.517 0.848 1.00 16.81 H new ATOM 0 HB2 HIS A 105 11.470 28.437 -0.277 1.00 13.62 H new ATOM 0 HB3 HIS A 105 10.137 28.197 -1.050 1.00 13.62 H new ATOM 0 HD1 HIS A 105 12.199 31.053 -0.117 1.00 9.73 H new ATOM 0 HD2 HIS A 105 9.207 30.267 -2.455 1.00 9.28 H new ATOM 0 HE1 HIS A 105 11.908 32.960 -1.478 1.00 9.71 H new ATOM 1672 N ALA A 106 9.821 26.534 1.741 1.00 18.29 N ATOM 1673 CA ALA A 106 9.172 25.235 1.916 1.00 22.42 C ATOM 1674 C ALA A 106 8.292 25.157 3.144 1.00 25.23 C ATOM 1675 O ALA A 106 7.132 24.671 3.048 1.00 26.80 O ATOM 1676 CB ALA A 106 10.153 24.099 1.808 1.00 18.79 C ATOM 0 H ALA A 106 10.622 26.596 2.047 1.00 18.29 H new ATOM 0 HA ALA A 106 8.556 25.137 1.173 1.00 22.42 H new ATOM 0 HB1 ALA A 106 9.688 23.257 1.929 1.00 18.79 H new ATOM 0 HB2 ALA A 106 10.571 24.114 0.933 1.00 18.79 H new ATOM 0 HB3 ALA A 106 10.834 24.193 2.493 1.00 18.79 H new ATOM 1682 N LYS A 107 8.765 25.652 4.264 1.00 27.85 N ATOM 1683 CA LYS A 107 7.998 25.528 5.522 1.00 29.63 C ATOM 1684 C LYS A 107 7.116 26.691 5.851 1.00 30.55 C ATOM 1685 O LYS A 107 6.099 26.555 6.582 1.00 30.37 O ATOM 1686 CB LYS A 107 8.953 25.247 6.688 1.00 31.94 C ATOM 1687 CG LYS A 107 9.517 23.830 6.768 1.00 33.18 C ATOM 1688 CD ALYS A 107 10.760 23.643 5.905 0.50 33.19 C ATOM 1689 CD BLYS A 107 9.995 23.273 5.450 0.50 33.65 C ATOM 1690 CE ALYS A 107 11.092 22.199 5.606 0.50 34.11 C ATOM 1691 CE BLYS A 107 10.730 21.957 5.573 0.50 34.25 C ATOM 1692 NZ ALYS A 107 12.389 21.742 6.162 0.50 32.72 N ATOM 1693 NZ BLYS A 107 9.931 20.799 5.100 0.50 32.80 N ATOM 0 H LYS A 107 9.517 26.062 4.337 1.00 27.85 H new ATOM 0 HA LYS A 107 7.392 24.784 5.380 1.00 29.63 H new ATOM 0 HB2 LYS A 107 9.696 25.868 6.631 1.00 31.94 H new ATOM 0 HB3 LYS A 107 8.487 25.437 7.517 1.00 31.94 H new ATOM 0 HG2ALYS A 107 9.734 23.624 7.691 0.50 33.18 H new ATOM 0 HG2BLYS A 107 10.256 23.823 7.396 0.50 33.18 H new ATOM 0 HG3ALYS A 107 8.836 23.198 6.489 0.50 33.18 H new ATOM 0 HG3BLYS A 107 8.834 23.242 7.126 0.50 33.18 H new ATOM 0 HD2ALYS A 107 10.635 24.116 5.068 0.50 33.65 H new ATOM 0 HD2BLYS A 107 9.232 23.154 4.863 0.50 33.65 H new ATOM 0 HD3ALYS A 107 11.517 24.053 6.352 0.50 33.65 H new ATOM 0 HD3BLYS A 107 10.579 23.922 5.027 0.50 33.65 H new ATOM 0 HE2ALYS A 107 10.385 21.636 5.958 0.50 34.25 H new ATOM 0 HE2BLYS A 107 11.554 22.004 5.064 0.50 34.25 H new ATOM 0 HE3ALYS A 107 11.102 22.073 4.644 0.50 34.25 H new ATOM 0 HE3BLYS A 107 10.977 21.816 6.500 0.50 34.25 H new ATOM 0 HZ1ALYS A 107 12.519 20.888 5.949 0.50 32.80 H new ATOM 0 HZ1BLYS A 107 10.406 20.052 5.193 0.50 32.80 H new ATOM 0 HZ2ALYS A 107 13.048 22.235 5.823 0.50 32.80 H new ATOM 0 HZ2BLYS A 107 9.184 20.737 5.581 0.50 32.80 H new ATOM 0 HZ3ALYS A 107 12.379 21.828 7.048 0.50 32.80 H new ATOM 0 HZ3BLYS A 107 9.723 20.912 4.242 0.50 32.80 H new ATOM 1707 N SER A 108 7.456 27.859 5.307 1.00 30.92 N ATOM 1708 CA SER A 108 6.648 29.043 5.649 1.00 32.26 C ATOM 1709 C SER A 108 5.587 29.386 4.628 1.00 32.71 C ATOM 1710 O SER A 108 4.398 29.499 5.053 1.00 33.45 O ATOM 1711 CB SER A 108 7.568 30.185 6.078 1.00 32.89 C ATOM 1712 OG SER A 108 8.386 29.698 7.170 1.00 34.74 O ATOM 0 H SER A 108 8.112 27.991 4.767 1.00 30.92 H new ATOM 0 HA SER A 108 6.097 28.833 6.419 1.00 32.26 H new ATOM 0 HB2 SER A 108 8.124 30.472 5.337 1.00 32.89 H new ATOM 0 HB3 SER A 108 7.049 30.955 6.358 1.00 32.89 H new ATOM 0 HG SER A 108 8.904 30.308 7.425 1.00 34.74 H new ATOM 1718 N PHE A 109 5.944 29.546 3.373 1.00 30.91 N ATOM 1719 CA PHE A 109 5.000 29.915 2.299 1.00 30.04 C ATOM 1720 C PHE A 109 4.494 28.652 1.600 1.00 28.51 C ATOM 1721 O PHE A 109 3.542 28.642 0.819 1.00 28.74 O ATOM 1722 CB PHE A 109 5.633 30.901 1.313 1.00 28.88 C ATOM 1723 CG PHE A 109 6.733 31.777 1.828 1.00 28.44 C ATOM 1724 CD1 PHE A 109 8.010 31.713 1.251 1.00 27.60 C ATOM 1725 CD2 PHE A 109 6.489 32.679 2.878 1.00 26.94 C ATOM 1726 CE1 PHE A 109 9.025 32.551 1.709 1.00 28.08 C ATOM 1727 CE2 PHE A 109 7.517 33.501 3.368 1.00 26.90 C ATOM 1728 CZ PHE A 109 8.794 33.441 2.766 1.00 26.78 C ATOM 0 H PHE A 109 6.753 29.445 3.100 1.00 30.91 H new ATOM 0 HA PHE A 109 4.239 30.370 2.693 1.00 30.04 H new ATOM 0 HB2 PHE A 109 5.980 30.394 0.562 1.00 28.88 H new ATOM 0 HB3 PHE A 109 4.930 31.473 0.968 1.00 28.88 H new ATOM 0 HD1 PHE A 109 8.179 31.111 0.563 1.00 27.60 H new ATOM 0 HD2 PHE A 109 5.639 32.732 3.252 1.00 26.94 H new ATOM 0 HE1 PHE A 109 9.864 32.519 1.309 1.00 28.08 H new ATOM 0 HE2 PHE A 109 7.359 34.078 4.080 1.00 26.90 H new ATOM 0 HZ PHE A 109 9.479 33.991 3.071 1.00 26.78 H new ATOM 1738 N GLN A 110 5.236 27.604 1.836 1.00 28.11 N ATOM 1739 CA GLN A 110 4.957 26.286 1.259 1.00 28.13 C ATOM 1740 C GLN A 110 4.688 26.316 -0.231 1.00 25.84 C ATOM 1741 O GLN A 110 3.621 25.824 -0.640 1.00 26.43 O ATOM 1742 CB GLN A 110 3.665 25.764 1.931 1.00 31.53 C ATOM 1743 CG GLN A 110 3.994 25.455 3.401 1.00 35.72 C ATOM 1744 CD GLN A 110 2.799 24.654 3.908 1.00 37.92 C ATOM 1745 OE1 GLN A 110 1.685 25.127 3.671 1.00 39.36 O ATOM 1746 NE2 GLN A 110 3.151 23.526 4.488 1.00 39.28 N ATOM 0 H GLN A 110 5.931 27.622 2.342 1.00 28.11 H new ATOM 0 HA GLN A 110 5.740 25.732 1.407 1.00 28.13 H new ATOM 0 HB2 GLN A 110 2.959 26.427 1.872 1.00 31.53 H new ATOM 0 HB3 GLN A 110 3.344 24.968 1.479 1.00 31.53 H new ATOM 0 HG2 GLN A 110 4.817 24.947 3.478 1.00 35.72 H new ATOM 0 HG3 GLN A 110 4.115 26.270 3.913 1.00 35.72 H new ATOM 0 HE21 GLN A 110 3.984 23.333 4.582 1.00 39.28 H new ATOM 0 HE22 GLN A 110 2.548 22.982 4.772 1.00 39.28 H new ATOM 1755 N VAL A 111 5.606 26.813 -1.002 1.00 23.49 N ATOM 1756 CA VAL A 111 5.379 26.874 -2.467 1.00 21.51 C ATOM 1757 C VAL A 111 5.808 25.569 -3.124 1.00 18.73 C ATOM 1758 O VAL A 111 6.653 24.824 -2.612 1.00 18.88 O ATOM 1759 CB VAL A 111 6.166 28.125 -2.949 1.00 21.33 C ATOM 1760 CG1 VAL A 111 5.629 29.390 -2.327 1.00 21.37 C ATOM 1761 CG2 VAL A 111 7.628 27.895 -2.587 1.00 21.26 C ATOM 0 H VAL A 111 6.362 27.122 -0.733 1.00 23.49 H new ATOM 0 HA VAL A 111 4.445 26.967 -2.711 1.00 21.51 H new ATOM 0 HB VAL A 111 6.069 28.242 -3.907 1.00 21.33 H new ATOM 0 HG11 VAL A 111 6.140 30.150 -2.647 1.00 21.37 H new ATOM 0 HG12 VAL A 111 4.697 29.501 -2.572 1.00 21.37 H new ATOM 0 HG13 VAL A 111 5.705 29.333 -1.362 1.00 21.37 H new ATOM 0 HG21 VAL A 111 8.156 28.657 -2.872 1.00 21.26 H new ATOM 0 HG22 VAL A 111 7.711 27.786 -1.627 1.00 21.26 H new ATOM 0 HG23 VAL A 111 7.950 27.095 -3.031 1.00 21.26 H new ATOM 1771 N ASP A 112 5.209 25.323 -4.253 1.00 17.44 N ATOM 1772 CA ASP A 112 5.501 24.169 -5.115 1.00 17.00 C ATOM 1773 C ASP A 112 6.862 24.606 -5.714 1.00 16.55 C ATOM 1774 O ASP A 112 6.955 25.708 -6.288 1.00 17.50 O ATOM 1775 CB ASP A 112 4.395 23.975 -6.130 1.00 18.70 C ATOM 1776 CG ASP A 112 4.585 23.024 -7.284 1.00 21.32 C ATOM 1777 OD1 ASP A 112 5.663 22.490 -7.606 1.00 20.25 O ATOM 1778 OD2 ASP A 112 3.546 22.784 -7.997 1.00 22.32 O ATOM 0 H ASP A 112 4.593 25.832 -4.569 1.00 17.44 H new ATOM 0 HA ASP A 112 5.548 23.303 -4.681 1.00 17.00 H new ATOM 0 HB2 ASP A 112 3.607 23.685 -5.645 1.00 18.70 H new ATOM 0 HB3 ASP A 112 4.193 24.846 -6.505 1.00 18.70 H new ATOM 1783 N PRO A 113 7.857 23.800 -5.526 1.00 16.00 N ATOM 1784 CA PRO A 113 9.204 24.142 -6.005 1.00 15.10 C ATOM 1785 C PRO A 113 9.409 23.993 -7.481 1.00 14.73 C ATOM 1786 O PRO A 113 10.437 24.461 -8.002 1.00 13.81 O ATOM 1787 CB PRO A 113 10.081 23.215 -5.181 1.00 16.02 C ATOM 1788 CG PRO A 113 9.240 21.964 -5.003 1.00 16.85 C ATOM 1789 CD PRO A 113 7.823 22.498 -4.825 1.00 16.65 C ATOM 0 HA PRO A 113 9.406 25.083 -5.888 1.00 15.10 H new ATOM 0 HB2 PRO A 113 10.915 23.019 -5.636 1.00 16.02 H new ATOM 0 HB3 PRO A 113 10.311 23.612 -4.326 1.00 16.02 H new ATOM 0 HG2 PRO A 113 9.305 21.379 -5.774 1.00 16.85 H new ATOM 0 HG3 PRO A 113 9.526 21.450 -4.232 1.00 16.85 H new ATOM 0 HD2 PRO A 113 7.164 21.900 -5.212 1.00 16.65 H new ATOM 0 HD3 PRO A 113 7.595 22.602 -3.888 1.00 16.65 H new ATOM 1797 N GLU A 114 8.491 23.336 -8.209 1.00 13.44 N ATOM 1798 CA GLU A 114 8.734 23.223 -9.647 1.00 13.29 C ATOM 1799 C GLU A 114 8.902 24.611 -10.300 1.00 12.05 C ATOM 1800 O GLU A 114 9.405 24.649 -11.424 1.00 9.80 O ATOM 1801 CB GLU A 114 7.526 22.560 -10.331 1.00 15.43 C ATOM 1802 CG AGLU A 114 6.192 23.278 -10.246 0.50 16.29 C ATOM 1803 CG BGLU A 114 7.097 23.037 -11.694 0.50 17.17 C ATOM 1804 CD AGLU A 114 5.015 22.674 -10.950 0.50 19.00 C ATOM 1805 CD BGLU A 114 5.710 22.725 -12.145 0.50 18.91 C ATOM 1806 OE1AGLU A 114 4.801 22.736 -12.160 0.50 18.46 O ATOM 1807 OE1BGLU A 114 5.203 23.149 -13.177 0.50 19.44 O ATOM 1808 OE2AGLU A 114 4.227 22.095 -10.156 0.50 19.20 O ATOM 1809 OE2BGLU A 114 5.094 22.012 -11.350 0.50 21.42 O ATOM 0 H GLU A 114 7.770 22.973 -7.911 1.00 13.44 H new ATOM 0 HA GLU A 114 9.543 22.699 -9.758 1.00 13.29 H new ATOM 0 HB2AGLU A 114 7.742 22.440 -11.269 0.50 15.43 H new ATOM 0 HB2BGLU A 114 7.715 21.611 -10.400 0.50 15.43 H new ATOM 0 HB3AGLU A 114 7.415 21.675 -9.950 0.50 15.43 H new ATOM 0 HB3BGLU A 114 6.766 22.655 -9.736 0.50 15.43 H new ATOM 0 HG2AGLU A 114 5.962 23.366 -9.308 0.50 17.17 H new ATOM 0 HG2BGLU A 114 7.207 24.000 -11.719 0.50 17.17 H new ATOM 0 HG3AGLU A 114 6.316 24.175 -10.593 0.50 17.17 H new ATOM 0 HG3BGLU A 114 7.711 22.664 -12.345 0.50 17.17 H new ATOM 1816 N TYR A 115 8.408 25.688 -9.680 1.00 11.09 N ATOM 1817 CA TYR A 115 8.392 27.007 -10.315 1.00 11.20 C ATOM 1818 C TYR A 115 9.649 27.813 -10.191 1.00 9.78 C ATOM 1819 O TYR A 115 9.744 28.840 -10.882 1.00 11.00 O ATOM 1820 CB ATYR A 115 7.160 27.843 -9.820 0.50 12.64 C ATOM 1821 CB BTYR A 115 7.200 27.854 -9.701 0.50 12.60 C ATOM 1822 CG ATYR A 115 5.862 27.297 -10.394 0.50 14.49 C ATOM 1823 CG BTYR A 115 5.880 27.161 -9.999 0.50 14.65 C ATOM 1824 CD1ATYR A 115 4.899 26.680 -9.593 0.50 13.97 C ATOM 1825 CD1BTYR A 115 5.079 26.613 -8.998 0.50 13.68 C ATOM 1826 CD2ATYR A 115 5.642 27.355 -11.769 0.50 15.69 C ATOM 1827 CD2BTYR A 115 5.487 27.022 -11.323 0.50 15.40 C ATOM 1828 CE1ATYR A 115 3.722 26.171 -10.143 0.50 16.21 C ATOM 1829 CE1BTYR A 115 3.883 25.966 -9.311 0.50 15.36 C ATOM 1830 CE2ATYR A 115 4.474 26.853 -12.339 0.50 17.01 C ATOM 1831 CE2BTYR A 115 4.297 26.378 -11.658 0.50 16.61 C ATOM 1832 CZ ATYR A 115 3.517 26.260 -11.521 0.50 17.23 C ATOM 1833 CZ BTYR A 115 3.506 25.850 -10.641 0.50 16.59 C ATOM 1834 OH ATYR A 115 2.393 25.770 -12.140 0.50 19.46 O ATOM 1835 OH BTYR A 115 2.358 25.221 -11.034 0.50 18.75 O ATOM 0 H TYR A 115 8.076 25.673 -8.887 1.00 11.09 H new ATOM 0 HA TYR A 115 8.318 26.814 -11.263 1.00 11.20 H new ATOM 0 HB2ATYR A 115 7.121 27.825 -8.851 0.50 12.60 H new ATOM 0 HB2BTYR A 115 7.318 27.949 -8.743 0.50 12.60 H new ATOM 0 HB3ATYR A 115 7.268 28.771 -10.082 0.50 12.60 H new ATOM 0 HB3BTYR A 115 7.199 28.748 -10.076 0.50 12.60 H new ATOM 0 HD1ATYR A 115 5.045 26.607 -8.677 0.50 13.68 H new ATOM 0 HD1BTYR A 115 5.346 26.680 -8.109 0.50 13.68 H new ATOM 0 HD2ATYR A 115 6.289 27.737 -12.318 0.50 15.40 H new ATOM 0 HD2BTYR A 115 6.027 27.364 -11.998 0.50 15.40 H new ATOM 0 HE1ATYR A 115 3.081 25.776 -9.597 0.50 15.36 H new ATOM 0 HE1BTYR A 115 3.346 25.617 -8.637 0.50 15.36 H new ATOM 0 HE2ATYR A 115 4.335 26.914 -13.257 0.50 16.61 H new ATOM 0 HE2BTYR A 115 4.035 26.302 -12.547 0.50 16.61 H new ATOM 0 HH ATYR A 115 1.884 25.427 -11.567 0.50 18.75 H new ATOM 0 HH BTYR A 115 2.295 25.249 -11.871 0.50 18.75 H new ATOM 1845 N PHE A 116 10.524 27.432 -9.310 1.00 10.33 N ATOM 1846 CA PHE A 116 11.776 28.185 -9.088 1.00 10.93 C ATOM 1847 C PHE A 116 12.505 28.378 -10.424 1.00 10.66 C ATOM 1848 O PHE A 116 13.034 29.460 -10.712 1.00 11.76 O ATOM 1849 CB PHE A 116 12.696 27.530 -8.067 1.00 11.55 C ATOM 1850 CG PHE A 116 12.255 27.460 -6.643 1.00 11.54 C ATOM 1851 CD1 PHE A 116 12.458 26.302 -5.926 1.00 10.06 C ATOM 1852 CD2 PHE A 116 11.680 28.536 -5.994 1.00 12.04 C ATOM 1853 CE1 PHE A 116 12.119 26.213 -4.589 1.00 11.45 C ATOM 1854 CE2 PHE A 116 11.305 28.466 -4.635 1.00 13.30 C ATOM 1855 CZ PHE A 116 11.517 27.273 -3.932 1.00 12.42 C ATOM 0 H PHE A 116 10.434 26.736 -8.813 1.00 10.33 H new ATOM 0 HA PHE A 116 11.530 29.047 -8.717 1.00 10.93 H new ATOM 0 HB2 PHE A 116 12.869 26.623 -8.366 1.00 11.55 H new ATOM 0 HB3 PHE A 116 13.543 28.002 -8.089 1.00 11.55 H new ATOM 0 HD1 PHE A 116 12.831 25.564 -6.351 1.00 10.06 H new ATOM 0 HD2 PHE A 116 11.537 29.326 -6.464 1.00 12.04 H new ATOM 0 HE1 PHE A 116 12.298 25.428 -4.123 1.00 11.45 H new ATOM 0 HE2 PHE A 116 10.923 29.201 -4.213 1.00 13.30 H new ATOM 0 HZ PHE A 116 11.259 27.194 -3.042 1.00 12.42 H new ATOM 1865 N LYS A 117 12.594 27.279 -11.167 1.00 10.22 N ATOM 1866 CA LYS A 117 13.332 27.341 -12.468 1.00 10.74 C ATOM 1867 C LYS A 117 12.635 28.139 -13.548 1.00 9.30 C ATOM 1868 O LYS A 117 13.296 28.664 -14.478 1.00 10.97 O ATOM 1869 CB LYS A 117 13.721 25.940 -12.869 1.00 10.41 C ATOM 1870 CG LYS A 117 12.632 25.116 -13.568 1.00 13.32 C ATOM 1871 CD LYS A 117 13.309 23.838 -14.092 1.00 17.47 C ATOM 1872 CE LYS A 117 12.395 22.762 -14.586 1.00 19.92 C ATOM 1873 NZ LYS A 117 13.118 21.802 -15.485 1.00 20.29 N ATOM 0 H LYS A 117 12.258 26.514 -10.965 1.00 10.22 H new ATOM 0 HA LYS A 117 14.143 27.857 -12.339 1.00 10.74 H new ATOM 0 HB2 LYS A 117 14.490 25.992 -13.458 1.00 10.41 H new ATOM 0 HB3 LYS A 117 14.004 25.462 -12.074 1.00 10.41 H new ATOM 0 HG2 LYS A 117 11.916 24.898 -12.951 1.00 13.32 H new ATOM 0 HG3 LYS A 117 12.235 25.618 -14.297 1.00 13.32 H new ATOM 0 HD2 LYS A 117 13.908 24.084 -14.814 1.00 17.47 H new ATOM 0 HD3 LYS A 117 13.857 23.470 -13.381 1.00 17.47 H new ATOM 0 HE2 LYS A 117 12.020 22.282 -13.831 1.00 19.92 H new ATOM 0 HE3 LYS A 117 11.652 23.161 -15.066 1.00 19.92 H new ATOM 0 HZ1 LYS A 117 12.687 21.024 -15.497 1.00 20.29 H new ATOM 0 HZ2 LYS A 117 13.151 22.135 -16.310 1.00 20.29 H new ATOM 0 HZ3 LYS A 117 13.946 21.677 -15.182 1.00 20.29 H new ATOM 1887 N VAL A 118 11.320 28.297 -13.429 1.00 7.42 N ATOM 1888 CA VAL A 118 10.495 29.060 -14.374 1.00 7.66 C ATOM 1889 C VAL A 118 10.711 30.575 -14.121 1.00 6.68 C ATOM 1890 O VAL A 118 10.940 31.303 -15.080 1.00 6.21 O ATOM 1891 CB VAL A 118 9.015 28.639 -14.302 1.00 6.81 C ATOM 1892 CG1 VAL A 118 8.185 29.393 -15.353 1.00 5.46 C ATOM 1893 CG2 VAL A 118 8.768 27.154 -14.365 1.00 6.08 C ATOM 0 H VAL A 118 10.868 27.956 -12.782 1.00 7.42 H new ATOM 0 HA VAL A 118 10.772 28.864 -15.283 1.00 7.66 H new ATOM 0 HB VAL A 118 8.720 28.894 -13.414 1.00 6.81 H new ATOM 0 HG11 VAL A 118 7.257 29.116 -15.293 1.00 5.46 H new ATOM 0 HG12 VAL A 118 8.248 30.347 -15.191 1.00 5.46 H new ATOM 0 HG13 VAL A 118 8.525 29.193 -16.239 1.00 5.46 H new ATOM 0 HG21 VAL A 118 7.815 26.982 -14.313 1.00 6.08 H new ATOM 0 HG22 VAL A 118 9.115 26.803 -15.200 1.00 6.08 H new ATOM 0 HG23 VAL A 118 9.215 26.720 -13.622 1.00 6.08 H new ATOM 1903 N LEU A 119 10.680 31.001 -12.867 1.00 8.21 N ATOM 1904 CA LEU A 119 10.916 32.418 -12.476 1.00 9.08 C ATOM 1905 C LEU A 119 12.357 32.806 -12.870 1.00 9.03 C ATOM 1906 O LEU A 119 12.621 33.809 -13.544 1.00 8.90 O ATOM 1907 CB LEU A 119 10.583 32.674 -11.013 1.00 9.25 C ATOM 1908 CG LEU A 119 10.900 34.067 -10.440 1.00 7.87 C ATOM 1909 CD1 LEU A 119 10.345 35.257 -11.208 1.00 8.06 C ATOM 1910 CD2 LEU A 119 10.276 34.153 -9.036 1.00 8.76 C ATOM 0 H LEU A 119 10.521 30.482 -12.200 1.00 8.21 H new ATOM 0 HA LEU A 119 10.309 32.999 -12.960 1.00 9.08 H new ATOM 0 HB2 LEU A 119 9.635 32.509 -10.889 1.00 9.25 H new ATOM 0 HB3 LEU A 119 11.057 32.017 -10.480 1.00 9.25 H new ATOM 0 HG LEU A 119 11.867 34.133 -10.475 1.00 7.87 H new ATOM 0 HD11 LEU A 119 10.603 36.079 -10.762 1.00 8.06 H new ATOM 0 HD12 LEU A 119 10.700 35.254 -12.111 1.00 8.06 H new ATOM 0 HD13 LEU A 119 9.377 35.198 -11.242 1.00 8.06 H new ATOM 0 HD21 LEU A 119 10.462 35.024 -8.652 1.00 8.76 H new ATOM 0 HD22 LEU A 119 9.316 34.027 -9.100 1.00 8.76 H new ATOM 0 HD23 LEU A 119 10.656 33.463 -8.470 1.00 8.76 H new ATOM 1922 N ALA A 120 13.295 31.950 -12.452 1.00 10.16 N ATOM 1923 CA ALA A 120 14.716 32.104 -12.765 1.00 9.25 C ATOM 1924 C ALA A 120 14.909 32.235 -14.264 1.00 9.45 C ATOM 1925 O ALA A 120 15.888 32.901 -14.714 1.00 11.69 O ATOM 1926 CB ALA A 120 15.508 30.885 -12.247 1.00 7.20 C ATOM 0 H ALA A 120 13.120 31.257 -11.974 1.00 10.16 H new ATOM 0 HA ALA A 120 15.044 32.906 -12.330 1.00 9.25 H new ATOM 0 HB1 ALA A 120 16.448 30.996 -12.459 1.00 7.20 H new ATOM 0 HB2 ALA A 120 15.400 30.813 -11.286 1.00 7.20 H new ATOM 0 HB3 ALA A 120 15.175 30.079 -12.670 1.00 7.20 H new ATOM 1932 N ALA A 121 14.095 31.551 -15.077 1.00 9.05 N ATOM 1933 CA ALA A 121 14.242 31.700 -16.532 1.00 7.16 C ATOM 1934 C ALA A 121 13.754 33.081 -16.976 1.00 7.37 C ATOM 1935 O ALA A 121 14.311 33.653 -17.934 1.00 4.76 O ATOM 1936 CB ALA A 121 13.594 30.561 -17.311 1.00 8.20 C ATOM 0 H ALA A 121 13.474 31.015 -14.820 1.00 9.05 H new ATOM 0 HA ALA A 121 15.187 31.640 -16.743 1.00 7.16 H new ATOM 0 HB1 ALA A 121 13.719 30.707 -18.262 1.00 8.20 H new ATOM 0 HB2 ALA A 121 14.005 29.720 -17.057 1.00 8.20 H new ATOM 0 HB3 ALA A 121 12.645 30.531 -17.111 1.00 8.20 H new ATOM 1942 N VAL A 122 12.723 33.645 -16.365 1.00 7.43 N ATOM 1943 CA VAL A 122 12.215 34.986 -16.748 1.00 8.86 C ATOM 1944 C VAL A 122 13.278 36.040 -16.405 1.00 8.89 C ATOM 1945 O VAL A 122 13.452 37.068 -17.089 1.00 8.68 O ATOM 1946 CB VAL A 122 10.892 35.234 -15.952 1.00 12.97 C ATOM 1947 CG1 VAL A 122 10.447 36.683 -16.019 1.00 12.83 C ATOM 1948 CG2 VAL A 122 9.764 34.313 -16.467 1.00 12.02 C ATOM 0 H VAL A 122 12.291 33.276 -15.719 1.00 7.43 H new ATOM 0 HA VAL A 122 12.034 35.042 -17.699 1.00 8.86 H new ATOM 0 HB VAL A 122 11.078 35.024 -15.023 1.00 12.97 H new ATOM 0 HG11 VAL A 122 9.626 36.793 -15.514 1.00 12.83 H new ATOM 0 HG12 VAL A 122 11.137 37.251 -15.642 1.00 12.83 H new ATOM 0 HG13 VAL A 122 10.293 36.932 -16.944 1.00 12.83 H new ATOM 0 HG21 VAL A 122 8.953 34.481 -15.962 1.00 12.02 H new ATOM 0 HG22 VAL A 122 9.603 34.493 -17.406 1.00 12.02 H new ATOM 0 HG23 VAL A 122 10.027 33.386 -16.356 1.00 12.02 H new ATOM 1958 N ILE A 123 13.950 35.768 -15.279 1.00 7.89 N ATOM 1959 CA ILE A 123 15.042 36.670 -14.839 1.00 8.12 C ATOM 1960 C ILE A 123 16.190 36.637 -15.854 1.00 7.72 C ATOM 1961 O ILE A 123 16.613 37.696 -16.330 1.00 7.90 O ATOM 1962 CB ILE A 123 15.504 36.385 -13.359 1.00 6.16 C ATOM 1963 CG1 ILE A 123 14.261 36.587 -12.433 1.00 4.35 C ATOM 1964 CG2 ILE A 123 16.617 37.359 -12.970 1.00 6.12 C ATOM 1965 CD1 ILE A 123 14.395 36.081 -10.996 1.00 3.39 C ATOM 0 H ILE A 123 13.802 35.093 -14.767 1.00 7.89 H new ATOM 0 HA ILE A 123 14.700 37.577 -14.817 1.00 8.12 H new ATOM 0 HB ILE A 123 15.848 35.482 -13.271 1.00 6.16 H new ATOM 0 HG12 ILE A 123 14.054 37.534 -12.404 1.00 4.35 H new ATOM 0 HG13 ILE A 123 13.502 36.143 -12.842 1.00 4.35 H new ATOM 0 HG21 ILE A 123 16.899 37.181 -12.059 1.00 6.12 H new ATOM 0 HG22 ILE A 123 17.371 37.245 -13.570 1.00 6.12 H new ATOM 0 HG23 ILE A 123 16.288 38.269 -13.034 1.00 6.12 H new ATOM 0 HD11 ILE A 123 13.572 36.256 -10.513 1.00 3.39 H new ATOM 0 HD12 ILE A 123 14.568 35.127 -11.004 1.00 3.39 H new ATOM 0 HD13 ILE A 123 15.130 36.539 -10.559 1.00 3.39 H new ATOM 1977 N ALA A 124 16.664 35.480 -16.217 1.00 7.10 N ATOM 1978 CA ALA A 124 17.736 35.307 -17.202 1.00 9.01 C ATOM 1979 C ALA A 124 17.325 35.912 -18.541 1.00 10.88 C ATOM 1980 O ALA A 124 18.134 36.589 -19.262 1.00 12.34 O ATOM 1981 CB ALA A 124 18.051 33.820 -17.335 1.00 5.99 C ATOM 0 H ALA A 124 16.373 34.737 -15.897 1.00 7.10 H new ATOM 0 HA ALA A 124 18.536 35.770 -16.907 1.00 9.01 H new ATOM 0 HB1 ALA A 124 18.760 33.696 -17.985 1.00 5.99 H new ATOM 0 HB2 ALA A 124 18.336 33.471 -16.476 1.00 5.99 H new ATOM 0 HB3 ALA A 124 17.257 33.346 -17.628 1.00 5.99 H new ATOM 1987 N ASP A 125 16.099 35.714 -18.975 1.00 9.73 N ATOM 1988 CA ASP A 125 15.668 36.288 -20.249 1.00 12.07 C ATOM 1989 C ASP A 125 15.736 37.816 -20.169 1.00 13.36 C ATOM 1990 O ASP A 125 16.104 38.430 -21.168 1.00 13.81 O ATOM 1991 CB ASP A 125 14.321 35.732 -20.703 1.00 17.10 C ATOM 1992 CG ASP A 125 13.972 36.092 -22.137 1.00 21.07 C ATOM 1993 OD1 ASP A 125 14.523 35.603 -23.127 1.00 24.36 O ATOM 1994 OD2 ASP A 125 13.101 36.968 -22.301 1.00 24.38 O ATOM 0 H ASP A 125 15.500 35.257 -18.560 1.00 9.73 H new ATOM 0 HA ASP A 125 16.279 36.017 -20.952 1.00 12.07 H new ATOM 0 HB2 ASP A 125 14.330 34.766 -20.612 1.00 17.10 H new ATOM 0 HB3 ASP A 125 13.626 36.066 -20.114 1.00 17.10 H new ATOM 1999 N THR A 126 15.422 38.403 -19.025 1.00 14.63 N ATOM 2000 CA THR A 126 15.398 39.855 -18.797 1.00 14.65 C ATOM 2001 C THR A 126 16.788 40.463 -18.726 1.00 14.89 C ATOM 2002 O THR A 126 17.067 41.550 -19.278 1.00 15.49 O ATOM 2003 CB THR A 126 14.557 40.200 -17.490 1.00 14.08 C ATOM 2004 OG1 THR A 126 13.199 39.693 -17.707 1.00 11.51 O ATOM 2005 CG2 THR A 126 14.580 41.677 -17.089 1.00 12.70 C ATOM 0 H THR A 126 15.206 37.953 -18.324 1.00 14.63 H new ATOM 0 HA THR A 126 14.963 40.255 -19.566 1.00 14.65 H new ATOM 0 HB THR A 126 14.970 39.766 -16.727 1.00 14.08 H new ATOM 0 HG1 THR A 126 13.177 38.870 -17.539 1.00 11.51 H new ATOM 0 HG21 THR A 126 14.047 41.803 -16.288 1.00 12.70 H new ATOM 0 HG22 THR A 126 15.494 41.951 -16.915 1.00 12.70 H new ATOM 0 HG23 THR A 126 14.213 42.214 -17.809 1.00 12.70 H new ATOM 2013 N VAL A 127 17.646 39.735 -18.016 1.00 14.45 N ATOM 2014 CA VAL A 127 19.017 40.161 -17.817 1.00 14.81 C ATOM 2015 C VAL A 127 19.868 39.952 -19.065 1.00 15.40 C ATOM 2016 O VAL A 127 20.500 40.913 -19.557 1.00 17.20 O ATOM 2017 CB VAL A 127 19.660 39.514 -16.587 1.00 14.71 C ATOM 2018 CG1 VAL A 127 21.121 40.001 -16.395 1.00 11.27 C ATOM 2019 CG2 VAL A 127 18.833 39.740 -15.331 1.00 13.22 C ATOM 0 H VAL A 127 17.447 38.987 -17.641 1.00 14.45 H new ATOM 0 HA VAL A 127 18.981 41.115 -17.647 1.00 14.81 H new ATOM 0 HB VAL A 127 19.684 38.557 -16.745 1.00 14.71 H new ATOM 0 HG11 VAL A 127 21.503 39.577 -15.611 1.00 11.27 H new ATOM 0 HG12 VAL A 127 21.646 39.767 -17.177 1.00 11.27 H new ATOM 0 HG13 VAL A 127 21.129 40.964 -16.277 1.00 11.27 H new ATOM 0 HG21 VAL A 127 19.270 39.317 -14.575 1.00 13.22 H new ATOM 0 HG22 VAL A 127 18.750 40.692 -15.165 1.00 13.22 H new ATOM 0 HG23 VAL A 127 17.951 39.355 -15.451 1.00 13.22 H new ATOM 2029 N ALA A 128 19.873 38.755 -19.587 1.00 15.04 N ATOM 2030 CA ALA A 128 20.747 38.486 -20.749 1.00 16.47 C ATOM 2031 C ALA A 128 20.387 37.122 -21.316 1.00 17.33 C ATOM 2032 O ALA A 128 21.013 36.115 -21.007 1.00 16.54 O ATOM 2033 CB ALA A 128 22.190 38.424 -20.217 1.00 15.80 C ATOM 0 H ALA A 128 19.403 38.090 -19.311 1.00 15.04 H new ATOM 0 HA ALA A 128 20.648 39.167 -21.433 1.00 16.47 H new ATOM 0 HB1 ALA A 128 22.799 38.248 -20.952 1.00 15.80 H new ATOM 0 HB2 ALA A 128 22.419 39.271 -19.803 1.00 15.80 H new ATOM 0 HB3 ALA A 128 22.263 37.714 -19.560 1.00 15.80 H new ATOM 2039 N ALA A 129 19.411 37.196 -22.181 1.00 20.25 N ATOM 2040 CA ALA A 129 18.811 36.074 -22.903 1.00 21.12 C ATOM 2041 C ALA A 129 19.844 35.201 -23.567 1.00 21.83 C ATOM 2042 O ALA A 129 20.585 35.625 -24.472 1.00 22.46 O ATOM 2043 CB ALA A 129 17.812 36.693 -23.906 1.00 22.86 C ATOM 0 H ALA A 129 19.047 37.947 -22.386 1.00 20.25 H new ATOM 0 HA ALA A 129 18.353 35.474 -22.294 1.00 21.12 H new ATOM 0 HB1 ALA A 129 17.384 35.986 -24.414 1.00 22.86 H new ATOM 0 HB2 ALA A 129 17.139 37.197 -23.423 1.00 22.86 H new ATOM 0 HB3 ALA A 129 18.286 37.284 -24.512 1.00 22.86 H new ATOM 2049 N GLY A 130 19.887 33.967 -23.121 1.00 22.79 N ATOM 2050 CA GLY A 130 20.778 32.932 -23.636 1.00 22.57 C ATOM 2051 C GLY A 130 22.187 32.992 -23.118 1.00 23.07 C ATOM 2052 O GLY A 130 22.992 32.130 -23.535 1.00 24.52 O ATOM 0 H GLY A 130 19.381 33.689 -22.484 1.00 22.79 H new ATOM 0 HA2 GLY A 130 20.404 32.064 -23.417 1.00 22.57 H new ATOM 0 HA3 GLY A 130 20.800 32.996 -24.604 1.00 22.57 H new ATOM 2056 N ASP A 131 22.542 33.941 -22.274 1.00 21.89 N ATOM 2057 CA ASP A 131 23.934 33.976 -21.758 1.00 20.75 C ATOM 2058 C ASP A 131 24.122 32.702 -20.917 1.00 20.57 C ATOM 2059 O ASP A 131 23.324 32.450 -19.970 1.00 19.68 O ATOM 2060 CB ASP A 131 24.213 35.269 -21.009 1.00 21.60 C ATOM 2061 CG ASP A 131 25.670 35.356 -20.570 1.00 22.38 C ATOM 2062 OD1 ASP A 131 26.515 35.561 -21.470 1.00 22.77 O ATOM 2063 OD2 ASP A 131 25.902 35.194 -19.346 1.00 21.46 O ATOM 0 H ASP A 131 22.024 34.564 -21.984 1.00 21.89 H new ATOM 0 HA ASP A 131 24.588 33.977 -22.474 1.00 20.75 H new ATOM 0 HB2 ASP A 131 23.999 36.026 -21.577 1.00 21.60 H new ATOM 0 HB3 ASP A 131 23.636 35.325 -20.232 1.00 21.60 H new ATOM 2068 N ALA A 132 25.155 31.921 -21.260 1.00 17.47 N ATOM 2069 CA ALA A 132 25.380 30.682 -20.489 1.00 15.41 C ATOM 2070 C ALA A 132 25.838 30.944 -19.059 1.00 14.19 C ATOM 2071 O ALA A 132 25.533 30.127 -18.140 1.00 12.66 O ATOM 2072 CB ALA A 132 26.395 29.783 -21.204 1.00 16.13 C ATOM 0 H ALA A 132 25.710 32.075 -21.898 1.00 17.47 H new ATOM 0 HA ALA A 132 24.522 30.233 -20.436 1.00 15.41 H new ATOM 0 HB1 ALA A 132 26.532 28.974 -20.686 1.00 16.13 H new ATOM 0 HB2 ALA A 132 26.058 29.550 -22.083 1.00 16.13 H new ATOM 0 HB3 ALA A 132 27.238 30.255 -21.295 1.00 16.13 H new ATOM 2078 N GLY A 133 26.587 32.007 -18.882 1.00 11.09 N ATOM 2079 CA GLY A 133 27.130 32.379 -17.563 1.00 11.62 C ATOM 2080 C GLY A 133 26.007 32.710 -16.588 1.00 10.28 C ATOM 2081 O GLY A 133 25.986 32.258 -15.453 1.00 10.44 O ATOM 0 H GLY A 133 26.805 32.546 -19.516 1.00 11.09 H new ATOM 0 HA2 GLY A 133 27.664 31.650 -17.211 1.00 11.62 H new ATOM 0 HA3 GLY A 133 27.719 33.144 -17.655 1.00 11.62 H new ATOM 2085 N PHE A 134 25.091 33.516 -17.101 1.00 11.33 N ATOM 2086 CA PHE A 134 23.902 33.918 -16.283 1.00 9.54 C ATOM 2087 C PHE A 134 23.021 32.730 -15.939 1.00 8.60 C ATOM 2088 O PHE A 134 22.487 32.568 -14.826 1.00 8.04 O ATOM 2089 CB PHE A 134 23.194 35.111 -16.934 1.00 9.69 C ATOM 2090 CG PHE A 134 22.384 35.799 -15.841 1.00 9.61 C ATOM 2091 CD1 PHE A 134 23.029 36.508 -14.853 1.00 11.00 C ATOM 2092 CD2 PHE A 134 20.998 35.591 -15.810 1.00 8.57 C ATOM 2093 CE1 PHE A 134 22.339 37.119 -13.803 1.00 10.27 C ATOM 2094 CE2 PHE A 134 20.279 36.183 -14.758 1.00 9.20 C ATOM 2095 CZ PHE A 134 20.949 36.921 -13.764 1.00 11.02 C ATOM 0 H PHE A 134 25.116 33.845 -17.895 1.00 11.33 H new ATOM 0 HA PHE A 134 24.192 34.236 -15.414 1.00 9.54 H new ATOM 0 HB2 PHE A 134 23.839 35.724 -17.320 1.00 9.69 H new ATOM 0 HB3 PHE A 134 22.616 34.816 -17.655 1.00 9.69 H new ATOM 0 HD1 PHE A 134 23.955 36.583 -14.886 1.00 11.00 H new ATOM 0 HD2 PHE A 134 20.571 35.081 -16.460 1.00 8.57 H new ATOM 0 HE1 PHE A 134 22.778 37.631 -13.162 1.00 10.27 H new ATOM 0 HE2 PHE A 134 19.355 36.087 -14.718 1.00 9.20 H new ATOM 0 HZ PHE A 134 20.459 37.287 -13.064 1.00 11.02 H new ATOM 2105 N GLU A 135 22.792 31.831 -16.869 1.00 8.58 N ATOM 2106 CA GLU A 135 21.978 30.637 -16.627 1.00 10.99 C ATOM 2107 C GLU A 135 22.643 29.746 -15.593 1.00 10.70 C ATOM 2108 O GLU A 135 21.906 29.093 -14.840 1.00 12.71 O ATOM 2109 CB GLU A 135 21.720 29.855 -17.911 1.00 12.00 C ATOM 2110 CG GLU A 135 20.868 30.654 -18.917 1.00 16.26 C ATOM 2111 CD GLU A 135 20.454 29.866 -20.133 1.00 18.32 C ATOM 2112 OE1 GLU A 135 21.026 28.834 -20.462 1.00 18.49 O ATOM 2113 OE2 GLU A 135 19.484 30.389 -20.707 1.00 18.60 O ATOM 0 H GLU A 135 23.102 31.886 -17.669 1.00 8.58 H new ATOM 0 HA GLU A 135 21.119 30.933 -16.287 1.00 10.99 H new ATOM 0 HB2 GLU A 135 22.567 29.621 -18.321 1.00 12.00 H new ATOM 0 HB3 GLU A 135 21.269 29.023 -17.696 1.00 12.00 H new ATOM 0 HG2 GLU A 135 20.072 30.978 -18.467 1.00 16.26 H new ATOM 0 HG3 GLU A 135 21.369 31.434 -19.204 1.00 16.26 H new ATOM 2120 N LYS A 136 23.982 29.713 -15.499 1.00 9.82 N ATOM 2121 CA LYS A 136 24.618 28.881 -14.477 1.00 11.55 C ATOM 2122 C LYS A 136 24.340 29.442 -13.076 1.00 10.80 C ATOM 2123 O LYS A 136 24.120 28.654 -12.139 1.00 12.69 O ATOM 2124 CB LYS A 136 26.136 28.734 -14.561 1.00 13.11 C ATOM 2125 CG LYS A 136 26.714 28.279 -15.863 1.00 17.75 C ATOM 2126 CD LYS A 136 28.173 27.846 -15.658 1.00 21.07 C ATOM 2127 CE LYS A 136 28.858 27.643 -16.992 1.00 24.27 C ATOM 2128 NZ LYS A 136 30.116 26.822 -16.802 1.00 27.26 N ATOM 0 H LYS A 136 24.522 30.153 -16.004 1.00 9.82 H new ATOM 0 HA LYS A 136 24.225 28.010 -14.643 1.00 11.55 H new ATOM 0 HB2 LYS A 136 26.532 29.591 -14.341 1.00 13.11 H new ATOM 0 HB3 LYS A 136 26.415 28.108 -13.875 1.00 13.11 H new ATOM 0 HG2 LYS A 136 26.195 27.540 -16.217 1.00 17.75 H new ATOM 0 HG3 LYS A 136 26.669 28.996 -16.515 1.00 17.75 H new ATOM 0 HD2 LYS A 136 28.647 28.519 -15.144 1.00 21.07 H new ATOM 0 HD3 LYS A 136 28.203 27.024 -15.144 1.00 21.07 H new ATOM 0 HE2 LYS A 136 28.258 27.194 -17.608 1.00 24.27 H new ATOM 0 HE3 LYS A 136 29.078 28.502 -17.386 1.00 24.27 H new ATOM 0 HZ1 LYS A 136 30.516 26.705 -17.588 1.00 27.26 H new ATOM 0 HZ2 LYS A 136 30.668 27.248 -16.249 1.00 27.26 H new ATOM 0 HZ3 LYS A 136 29.904 26.030 -16.456 1.00 27.26 H new ATOM 2142 N LEU A 137 24.454 30.739 -12.938 1.00 11.38 N ATOM 2143 CA LEU A 137 24.222 31.416 -11.628 1.00 12.06 C ATOM 2144 C LEU A 137 22.753 31.127 -11.232 1.00 11.12 C ATOM 2145 O LEU A 137 22.498 30.847 -10.065 1.00 13.09 O ATOM 2146 CB LEU A 137 24.519 32.921 -11.748 1.00 11.22 C ATOM 2147 CG LEU A 137 24.690 33.789 -10.523 1.00 12.77 C ATOM 2148 CD1 LEU A 137 23.900 35.107 -10.551 1.00 13.25 C ATOM 2149 CD2 LEU A 137 24.383 33.061 -9.245 1.00 12.44 C ATOM 0 H LEU A 137 24.665 31.272 -13.579 1.00 11.38 H new ATOM 0 HA LEU A 137 24.815 31.082 -10.937 1.00 12.06 H new ATOM 0 HB2 LEU A 137 25.331 33.008 -12.271 1.00 11.22 H new ATOM 0 HB3 LEU A 137 23.801 33.310 -12.272 1.00 11.22 H new ATOM 0 HG LEU A 137 25.632 34.017 -10.548 1.00 12.77 H new ATOM 0 HD11 LEU A 137 24.065 35.601 -9.733 1.00 13.25 H new ATOM 0 HD12 LEU A 137 24.184 35.638 -11.311 1.00 13.25 H new ATOM 0 HD13 LEU A 137 22.952 34.915 -10.627 1.00 13.25 H new ATOM 0 HD21 LEU A 137 24.508 33.661 -8.493 1.00 12.44 H new ATOM 0 HD22 LEU A 137 23.464 32.751 -9.262 1.00 12.44 H new ATOM 0 HD23 LEU A 137 24.979 32.301 -9.154 1.00 12.44 H new ATOM 2161 N MET A 138 21.868 31.280 -12.192 1.00 10.36 N ATOM 2162 CA MET A 138 20.443 31.024 -11.958 1.00 10.54 C ATOM 2163 C MET A 138 20.253 29.558 -11.599 1.00 10.26 C ATOM 2164 O MET A 138 19.425 29.274 -10.717 1.00 10.21 O ATOM 2165 CB MET A 138 19.529 31.497 -13.078 1.00 11.00 C ATOM 2166 CG MET A 138 19.586 32.993 -13.264 1.00 13.08 C ATOM 2167 SD MET A 138 19.101 33.871 -11.780 1.00 15.81 S ATOM 2168 CE MET A 138 18.993 35.574 -12.280 1.00 20.22 C ATOM 0 H MET A 138 22.061 31.531 -12.992 1.00 10.36 H new ATOM 0 HA MET A 138 20.163 31.569 -11.206 1.00 10.54 H new ATOM 0 HB2 MET A 138 19.781 31.060 -13.906 1.00 11.00 H new ATOM 0 HB3 MET A 138 18.617 31.231 -12.883 1.00 11.00 H new ATOM 0 HG2 MET A 138 20.487 33.253 -13.513 1.00 13.08 H new ATOM 0 HG3 MET A 138 19.004 33.250 -13.996 1.00 13.08 H new ATOM 0 HE1 MET A 138 18.407 36.053 -11.673 1.00 20.22 H new ATOM 0 HE2 MET A 138 19.876 35.974 -12.259 1.00 20.22 H new ATOM 0 HE3 MET A 138 18.636 35.625 -13.181 1.00 20.22 H new ATOM 2178 N SER A 139 20.988 28.646 -12.200 1.00 10.11 N ATOM 2179 CA SER A 139 20.843 27.232 -11.838 1.00 11.33 C ATOM 2180 C SER A 139 21.352 26.979 -10.412 1.00 11.07 C ATOM 2181 O SER A 139 20.806 26.108 -9.725 1.00 8.77 O ATOM 2182 CB SER A 139 21.553 26.248 -12.762 1.00 12.24 C ATOM 2183 OG SER A 139 21.228 26.507 -14.102 1.00 17.67 O ATOM 0 H SER A 139 21.570 28.810 -12.811 1.00 10.11 H new ATOM 0 HA SER A 139 19.890 27.068 -11.919 1.00 11.33 H new ATOM 0 HB2 SER A 139 22.513 26.315 -12.638 1.00 12.24 H new ATOM 0 HB3 SER A 139 21.300 25.340 -12.532 1.00 12.24 H new ATOM 0 HG SER A 139 21.480 27.282 -14.307 1.00 17.67 H new ATOM 2189 N MET A 140 22.417 27.672 -10.036 1.00 11.14 N ATOM 2190 CA MET A 140 22.949 27.442 -8.662 1.00 11.60 C ATOM 2191 C MET A 140 21.889 27.891 -7.649 1.00 10.26 C ATOM 2192 O MET A 140 21.720 27.286 -6.582 1.00 10.93 O ATOM 2193 CB MET A 140 24.224 28.264 -8.454 1.00 13.64 C ATOM 2194 CG MET A 140 25.251 27.949 -9.538 1.00 15.17 C ATOM 2195 SD AMET A 140 26.726 28.960 -9.096 0.50 14.41 S ATOM 2196 SD BMET A 140 26.709 29.000 -9.173 0.50 15.03 S ATOM 2197 CE AMET A 140 27.785 28.413 -10.463 0.50 11.76 C ATOM 2198 CE BMET A 140 27.010 28.270 -7.530 0.50 15.00 C ATOM 0 H MET A 140 22.837 28.250 -10.514 1.00 11.14 H new ATOM 0 HA MET A 140 23.155 26.502 -8.543 1.00 11.60 H new ATOM 0 HB2 MET A 140 24.011 29.210 -8.469 1.00 13.64 H new ATOM 0 HB3 MET A 140 24.599 28.072 -7.580 1.00 13.64 H new ATOM 0 HG2AMET A 140 25.465 27.003 -9.556 0.50 15.17 H new ATOM 0 HG2BMET A 140 25.489 27.009 -9.528 0.50 15.17 H new ATOM 0 HG3AMET A 140 24.916 28.181 -10.418 0.50 15.17 H new ATOM 0 HG3BMET A 140 24.896 28.142 -10.420 0.50 15.17 H new ATOM 0 HE1AMET A 140 28.652 28.842 -10.393 0.50 15.00 H new ATOM 0 HE1BMET A 140 27.956 28.322 -7.321 0.50 15.00 H new ATOM 0 HE2AMET A 140 27.897 27.450 -10.421 0.50 15.00 H new ATOM 0 HE2BMET A 140 26.504 28.758 -6.861 0.50 15.00 H new ATOM 0 HE3AMET A 140 27.373 28.653 -11.308 0.50 15.00 H new ATOM 0 HE3BMET A 140 26.731 27.341 -7.532 0.50 15.00 H new ATOM 2208 N ILE A 141 21.251 28.981 -8.055 1.00 9.28 N ATOM 2209 CA ILE A 141 20.200 29.592 -7.231 1.00 11.39 C ATOM 2210 C ILE A 141 19.037 28.607 -6.984 1.00 10.90 C ATOM 2211 O ILE A 141 18.604 28.462 -5.833 1.00 11.52 O ATOM 2212 CB ILE A 141 19.708 30.962 -7.766 1.00 11.59 C ATOM 2213 CG1 ILE A 141 20.703 32.081 -7.312 1.00 13.12 C ATOM 2214 CG2 ILE A 141 18.326 31.337 -7.191 1.00 12.03 C ATOM 2215 CD1 ILE A 141 20.360 33.478 -7.960 1.00 14.46 C ATOM 0 H ILE A 141 21.406 29.385 -8.798 1.00 9.28 H new ATOM 0 HA ILE A 141 20.608 29.788 -6.373 1.00 11.39 H new ATOM 0 HB ILE A 141 19.653 30.890 -8.732 1.00 11.59 H new ATOM 0 HG12 ILE A 141 20.680 32.160 -6.345 1.00 13.12 H new ATOM 0 HG13 ILE A 141 21.607 31.826 -7.555 1.00 13.12 H new ATOM 0 HG21 ILE A 141 18.050 32.197 -7.546 1.00 12.03 H new ATOM 0 HG22 ILE A 141 17.677 30.661 -7.441 1.00 12.03 H new ATOM 0 HG23 ILE A 141 18.381 31.389 -6.224 1.00 12.03 H new ATOM 0 HD11 ILE A 141 20.998 34.142 -7.654 1.00 14.46 H new ATOM 0 HD12 ILE A 141 20.406 33.407 -8.926 1.00 14.46 H new ATOM 0 HD13 ILE A 141 19.465 33.745 -7.698 1.00 14.46 H new ATOM 2227 N CYS A 142 18.606 28.019 -8.084 1.00 10.59 N ATOM 2228 CA CYS A 142 17.503 27.050 -8.085 1.00 10.20 C ATOM 2229 C CYS A 142 17.878 25.809 -7.295 1.00 10.93 C ATOM 2230 O CYS A 142 17.003 25.299 -6.576 1.00 12.52 O ATOM 2231 CB CYS A 142 17.085 26.683 -9.488 1.00 7.89 C ATOM 2232 SG CYS A 142 16.090 28.017 -10.258 1.00 12.64 S ATOM 0 H CYS A 142 18.942 28.166 -8.862 1.00 10.59 H new ATOM 0 HA CYS A 142 16.743 27.472 -7.655 1.00 10.20 H new ATOM 0 HB2 CYS A 142 17.872 26.511 -10.028 1.00 7.89 H new ATOM 0 HB3 CYS A 142 16.569 25.862 -9.470 1.00 7.89 H new ATOM 0 HG CYS A 142 16.263 28.011 -11.445 1.00 12.64 H new ATOM 2237 N ILE A 143 19.109 25.359 -7.423 1.00 9.69 N ATOM 2238 CA ILE A 143 19.503 24.137 -6.656 1.00 9.00 C ATOM 2239 C ILE A 143 19.385 24.360 -5.171 1.00 9.16 C ATOM 2240 O ILE A 143 18.848 23.548 -4.391 1.00 8.70 O ATOM 2241 CB ILE A 143 20.937 23.675 -7.143 1.00 6.67 C ATOM 2242 CG1 ILE A 143 20.840 23.084 -8.564 1.00 6.25 C ATOM 2243 CG2 ILE A 143 21.488 22.648 -6.114 1.00 9.00 C ATOM 2244 CD1 ILE A 143 22.150 23.120 -9.416 1.00 4.09 C ATOM 0 H ILE A 143 19.721 25.708 -7.916 1.00 9.69 H new ATOM 0 HA ILE A 143 18.891 23.406 -6.836 1.00 9.00 H new ATOM 0 HB ILE A 143 21.550 24.425 -7.191 1.00 6.67 H new ATOM 0 HG12 ILE A 143 20.548 22.162 -8.492 1.00 6.25 H new ATOM 0 HG13 ILE A 143 20.149 23.563 -9.047 1.00 6.25 H new ATOM 0 HG21 ILE A 143 22.368 22.351 -6.393 1.00 9.00 H new ATOM 0 HG22 ILE A 143 21.550 23.066 -5.241 1.00 9.00 H new ATOM 0 HG23 ILE A 143 20.890 21.886 -6.065 1.00 9.00 H new ATOM 0 HD11 ILE A 143 21.981 22.727 -10.286 1.00 4.09 H new ATOM 0 HD12 ILE A 143 22.439 24.039 -9.528 1.00 4.09 H new ATOM 0 HD13 ILE A 143 22.845 22.616 -8.963 1.00 4.09 H new ATOM 2256 N LEU A 144 19.905 25.475 -4.721 1.00 9.37 N ATOM 2257 CA LEU A 144 19.915 25.941 -3.349 1.00 11.32 C ATOM 2258 C LEU A 144 18.490 26.180 -2.833 1.00 10.99 C ATOM 2259 O LEU A 144 18.197 25.812 -1.677 1.00 11.62 O ATOM 2260 CB LEU A 144 20.892 27.133 -3.263 1.00 12.70 C ATOM 2261 CG LEU A 144 22.391 26.788 -3.317 1.00 14.24 C ATOM 2262 CD1 LEU A 144 23.261 28.025 -3.396 1.00 11.84 C ATOM 2263 CD2 LEU A 144 22.712 26.000 -2.054 1.00 16.56 C ATOM 0 H LEU A 144 20.295 26.029 -5.250 1.00 9.37 H new ATOM 0 HA LEU A 144 20.250 25.269 -2.735 1.00 11.32 H new ATOM 0 HB2 LEU A 144 20.693 27.743 -3.990 1.00 12.70 H new ATOM 0 HB3 LEU A 144 20.719 27.610 -2.437 1.00 12.70 H new ATOM 0 HG LEU A 144 22.577 26.272 -4.117 1.00 14.24 H new ATOM 0 HD11 LEU A 144 24.194 27.763 -3.428 1.00 11.84 H new ATOM 0 HD12 LEU A 144 23.039 28.527 -4.196 1.00 11.84 H new ATOM 0 HD13 LEU A 144 23.108 28.579 -2.615 1.00 11.84 H new ATOM 0 HD21 LEU A 144 23.653 25.763 -2.051 1.00 16.56 H new ATOM 0 HD22 LEU A 144 22.513 26.542 -1.275 1.00 16.56 H new ATOM 0 HD23 LEU A 144 22.175 25.192 -2.031 1.00 16.56 H new ATOM 2275 N LEU A 145 17.639 26.736 -3.699 1.00 11.45 N ATOM 2276 CA LEU A 145 16.239 26.994 -3.294 1.00 12.10 C ATOM 2277 C LEU A 145 15.463 25.721 -2.964 1.00 13.46 C ATOM 2278 O LEU A 145 14.503 25.638 -2.156 1.00 13.00 O ATOM 2279 CB LEU A 145 15.693 27.868 -4.425 1.00 9.66 C ATOM 2280 CG LEU A 145 15.871 29.370 -4.227 1.00 8.68 C ATOM 2281 CD1 LEU A 145 14.900 30.127 -5.170 1.00 8.25 C ATOM 2282 CD2 LEU A 145 15.555 29.727 -2.777 1.00 8.07 C ATOM 0 H LEU A 145 17.837 26.968 -4.503 1.00 11.45 H new ATOM 0 HA LEU A 145 16.153 27.458 -2.447 1.00 12.10 H new ATOM 0 HB2 LEU A 145 16.129 27.611 -5.253 1.00 9.66 H new ATOM 0 HB3 LEU A 145 14.747 27.680 -4.532 1.00 9.66 H new ATOM 0 HG LEU A 145 16.785 29.623 -4.431 1.00 8.68 H new ATOM 0 HD11 LEU A 145 15.009 31.083 -5.048 1.00 8.25 H new ATOM 0 HD12 LEU A 145 15.096 29.895 -6.091 1.00 8.25 H new ATOM 0 HD13 LEU A 145 13.986 29.877 -4.962 1.00 8.25 H new ATOM 0 HD21 LEU A 145 15.667 30.682 -2.647 1.00 8.07 H new ATOM 0 HD22 LEU A 145 14.639 29.479 -2.575 1.00 8.07 H new ATOM 0 HD23 LEU A 145 16.157 29.248 -2.187 1.00 8.07 H new ATOM 2294 N ARG A 146 15.891 24.644 -3.601 1.00 15.50 N ATOM 2295 CA ARG A 146 15.303 23.302 -3.439 1.00 18.43 C ATOM 2296 C ARG A 146 15.848 22.536 -2.253 1.00 19.72 C ATOM 2297 O ARG A 146 15.245 21.511 -1.824 1.00 20.84 O ATOM 2298 CB ARG A 146 15.563 22.466 -4.725 1.00 18.98 C ATOM 2299 CG ARG A 146 14.463 22.677 -5.758 1.00 21.38 C ATOM 2300 CD ARG A 146 14.606 21.807 -6.962 1.00 23.28 C ATOM 2301 NE ARG A 146 13.968 20.551 -6.799 1.00 25.76 N ATOM 2302 CZ ARG A 146 12.715 20.186 -6.969 1.00 26.46 C ATOM 2303 NH1 ARG A 146 11.781 20.994 -7.450 1.00 28.35 N ATOM 2304 NH2 ARG A 146 12.341 18.967 -6.558 1.00 25.63 N ATOM 0 H ARG A 146 16.548 24.663 -4.156 1.00 15.50 H new ATOM 0 HA ARG A 146 14.355 23.438 -3.283 1.00 18.43 H new ATOM 0 HB2 ARG A 146 16.419 22.715 -5.107 1.00 18.98 H new ATOM 0 HB3 ARG A 146 15.617 21.525 -4.496 1.00 18.98 H new ATOM 0 HG2 ARG A 146 13.603 22.506 -5.344 1.00 21.38 H new ATOM 0 HG3 ARG A 146 14.464 23.606 -6.037 1.00 21.38 H new ATOM 0 HD2 ARG A 146 14.230 22.261 -7.732 1.00 23.28 H new ATOM 0 HD3 ARG A 146 15.548 21.667 -7.147 1.00 23.28 H new ATOM 0 HE ARG A 146 14.491 19.917 -6.545 1.00 25.76 H new ATOM 0 HH11 ARG A 146 11.982 21.801 -7.668 1.00 28.35 H new ATOM 0 HH12 ARG A 146 10.974 20.711 -7.544 1.00 28.35 H new ATOM 0 HH21 ARG A 146 12.915 18.442 -6.192 1.00 25.63 H new ATOM 0 HH22 ARG A 146 11.527 18.710 -6.660 1.00 25.63 H new ATOM 2318 N SER A 147 16.959 23.006 -1.722 1.00 19.91 N ATOM 2319 CA SER A 147 17.683 22.380 -0.627 1.00 20.44 C ATOM 2320 C SER A 147 16.869 22.065 0.605 1.00 21.02 C ATOM 2321 O SER A 147 17.105 20.987 1.215 1.00 22.04 O ATOM 2322 CB SER A 147 19.015 23.079 -0.392 1.00 20.54 C ATOM 2323 OG SER A 147 18.942 24.310 0.283 1.00 20.22 O ATOM 0 H SER A 147 17.331 23.730 -1.999 1.00 19.91 H new ATOM 0 HA SER A 147 17.898 21.479 -0.915 1.00 20.44 H new ATOM 0 HB2 SER A 147 19.590 22.484 0.114 1.00 20.54 H new ATOM 0 HB3 SER A 147 19.442 23.224 -1.251 1.00 20.54 H new ATOM 0 HG SER A 147 18.703 24.910 -0.254 1.00 20.22 H new ATOM 2329 N ALA A 148 15.934 22.856 1.051 1.00 21.63 N ATOM 2330 CA ALA A 148 15.128 22.600 2.253 1.00 22.14 C ATOM 2331 C ALA A 148 13.910 21.720 2.014 1.00 22.18 C ATOM 2332 O ALA A 148 13.187 21.453 3.000 1.00 24.03 O ATOM 2333 CB ALA A 148 14.733 23.941 2.880 1.00 20.31 C ATOM 0 H ALA A 148 15.728 23.593 0.659 1.00 21.63 H new ATOM 0 HA ALA A 148 15.680 22.090 2.866 1.00 22.14 H new ATOM 0 HB1 ALA A 148 14.200 23.782 3.675 1.00 20.31 H new ATOM 0 HB2 ALA A 148 15.533 24.434 3.121 1.00 20.31 H new ATOM 0 HB3 ALA A 148 14.215 24.457 2.242 1.00 20.31 H new ATOM 2339 N TYR A 149 13.647 21.266 0.835 1.00 22.30 N ATOM 2340 CA TYR A 149 12.535 20.408 0.456 1.00 24.16 C ATOM 2341 C TYR A 149 12.828 18.920 0.642 1.00 24.75 C ATOM 2342 O TYR A 149 13.838 18.479 0.026 1.00 25.93 O ATOM 2343 CB TYR A 149 12.194 20.677 -1.045 1.00 25.88 C ATOM 2344 CG TYR A 149 11.367 21.936 -1.217 1.00 26.12 C ATOM 2345 CD1 TYR A 149 9.972 21.948 -1.097 1.00 26.74 C ATOM 2346 CD2 TYR A 149 11.997 23.149 -1.467 1.00 26.92 C ATOM 2347 CE1 TYR A 149 9.243 23.117 -1.243 1.00 26.89 C ATOM 2348 CE2 TYR A 149 11.287 24.325 -1.646 1.00 25.90 C ATOM 2349 CZ TYR A 149 9.909 24.304 -1.544 1.00 27.14 C ATOM 2350 OH TYR A 149 9.247 25.499 -1.698 1.00 29.79 O ATOM 2351 OXT TYR A 149 12.084 18.225 1.360 1.00 24.55 O ATOM 0 H TYR A 149 14.147 21.458 0.162 1.00 22.30 H new ATOM 0 HA TYR A 149 11.790 20.622 1.040 1.00 24.16 H new ATOM 0 HB2 TYR A 149 13.016 20.758 -1.554 1.00 25.88 H new ATOM 0 HB3 TYR A 149 11.709 19.919 -1.407 1.00 25.88 H new ATOM 0 HD1 TYR A 149 9.525 21.153 -0.915 1.00 26.74 H new ATOM 0 HD2 TYR A 149 12.925 23.172 -1.516 1.00 26.92 H new ATOM 0 HE1 TYR A 149 8.319 23.110 -1.141 1.00 26.89 H new ATOM 0 HE2 TYR A 149 11.733 25.120 -1.833 1.00 25.90 H new ATOM 0 HH TYR A 149 8.433 25.352 -1.844 1.00 29.79 H new TER 2361 TYR A 149 HETATM 2362 C CYN A 150 9.237 35.090 -4.491 1.00 11.33 C HETATM 2363 N CYN A 150 9.007 35.552 -5.565 1.00 12.99 N HETATM 2364 CHA HEM A 151 8.857 35.330 -0.594 1.00 13.20 C HETATM 2365 CHB HEM A 151 12.832 35.309 -3.342 1.00 10.88 C HETATM 2366 CHC HEM A 151 10.830 32.045 -6.278 1.00 11.62 C HETATM 2367 CHD HEM A 151 6.732 32.233 -3.683 1.00 11.36 C HETATM 2368 C1A HEM A 151 10.105 35.624 -1.075 1.00 12.95 C HETATM 2369 C2A HEM A 151 11.081 36.527 -0.499 1.00 14.19 C HETATM 2370 C3A HEM A 151 12.154 36.527 -1.275 1.00 12.44 C HETATM 2371 C4A HEM A 151 11.910 35.580 -2.363 1.00 11.89 C HETATM 2372 CMA HEM A 151 13.513 37.265 -1.205 1.00 11.02 C HETATM 2373 CAA HEM A 151 10.857 37.328 0.813 1.00 17.67 C HETATM 2374 CBA HEM A 151 11.309 36.582 2.072 1.00 22.25 C HETATM 2375 CGA HEM A 151 10.970 37.176 3.409 1.00 25.85 C HETATM 2376 O1A HEM A 151 9.884 37.845 3.503 1.00 28.34 O HETATM 2377 O2A HEM A 151 11.772 37.020 4.372 1.00 26.63 O HETATM 2378 C1B HEM A 151 12.672 34.389 -4.349 1.00 10.80 C HETATM 2379 C2B HEM A 151 13.668 34.043 -5.364 1.00 10.15 C HETATM 2380 C3B HEM A 151 13.096 33.152 -6.186 1.00 10.67 C HETATM 2381 C4B HEM A 151 11.757 32.894 -5.682 1.00 10.66 C HETATM 2382 CMB HEM A 151 15.068 34.661 -5.454 1.00 9.86 C HETATM 2383 CAB HEM A 151 13.678 32.366 -7.365 1.00 10.92 C HETATM 2384 CBB HEM A 151 14.351 32.920 -8.362 1.00 13.06 C HETATM 2385 C1C HEM A 151 9.502 31.914 -5.887 1.00 11.70 C HETATM 2386 C2C HEM A 151 8.472 31.192 -6.625 1.00 12.69 C HETATM 2387 C3C HEM A 151 7.367 31.235 -5.889 1.00 12.78 C HETATM 2388 C4C HEM A 151 7.647 31.952 -4.669 1.00 11.82 C HETATM 2389 CMC HEM A 151 8.748 30.539 -7.998 1.00 11.60 C HETATM 2390 CAC HEM A 151 5.954 30.659 -6.182 1.00 14.46 C HETATM 2391 CBC HEM A 151 5.922 29.440 -6.761 1.00 16.19 C HETATM 2392 C1D HEM A 151 6.944 33.111 -2.641 1.00 13.02 C HETATM 2393 C2D HEM A 151 5.937 33.535 -1.685 1.00 13.94 C HETATM 2394 C3D HEM A 151 6.535 34.383 -0.840 1.00 14.10 C HETATM 2395 C4D HEM A 151 7.906 34.539 -1.235 1.00 13.46 C HETATM 2396 CMD HEM A 151 4.480 33.014 -1.691 1.00 12.27 C HETATM 2397 CAD HEM A 151 5.868 35.134 0.326 1.00 16.83 C HETATM 2398 CBD HEM A 151 5.067 36.388 -0.072 1.00 19.60 C HETATM 2399 CGD HEM A 151 4.601 37.177 1.124 1.00 22.94 C HETATM 2400 O1D HEM A 151 3.570 36.761 1.738 1.00 25.78 O HETATM 2401 O2D HEM A 151 5.267 38.187 1.446 1.00 24.32 O HETATM 2402 NA HEM A 151 10.642 35.051 -2.223 1.00 11.85 N HETATM 2403 NB HEM A 151 11.521 33.677 -4.549 1.00 9.92 N HETATM 2404 NC HEM A 151 8.981 32.377 -4.698 1.00 10.91 N HETATM 2405 ND HEM A 151 8.141 33.757 -2.341 1.00 12.88 N HETATM 2406 FE HEM A 151 9.839 33.649 -3.414 1.00 10.34 FE HETATM 0 HMA1 HEM A 151 13.389 38.134 -0.792 1.00 11.02 H new HETATM 0 HMA2 HEM A 151 13.865 37.381 -2.101 1.00 11.02 H new HETATM 0 HMA3 HEM A 151 14.138 36.743 -0.678 1.00 11.02 H new HETATM 0 HMB1 HEM A 151 15.683 34.015 -5.836 1.00 9.86 H new HETATM 0 HMB2 HEM A 151 15.370 34.909 -4.566 1.00 9.86 H new HETATM 0 HMB3 HEM A 151 15.038 35.450 -6.017 1.00 9.86 H new HETATM 0 HMC1 HEM A 151 9.434 31.043 -8.464 1.00 11.60 H new HETATM 0 HMC2 HEM A 151 7.934 30.537 -8.525 1.00 11.60 H new HETATM 0 HMC3 HEM A 151 9.050 29.626 -7.868 1.00 11.60 H new HETATM 0 HMD1 HEM A 151 4.131 33.017 -0.786 1.00 12.27 H new HETATM 0 HMD2 HEM A 151 4.461 32.109 -2.041 1.00 12.27 H new HETATM 0 HMD3 HEM A 151 3.933 33.588 -2.250 1.00 12.27 H new HETATM 0 HBB1 HEM A 151 14.695 32.367 -9.081 1.00 13.06 H new HETATM 0 HBB2 HEM A 151 14.500 33.878 -8.373 1.00 13.06 H new HETATM 0 HBC1 HEM A 151 5.071 29.025 -6.970 1.00 16.19 H new HETATM 0 HBC2 HEM A 151 6.750 28.980 -6.968 1.00 16.19 H new HETATM 0 HBA1 HEM A 151 12.273 36.483 2.028 1.00 22.25 H new HETATM 0 HBA2 HEM A 151 10.930 35.690 2.040 1.00 22.25 H new HETATM 0 HAA1 HEM A 151 9.915 37.543 0.895 1.00 17.67 H new HETATM 0 HAA2 HEM A 151 11.336 38.169 0.755 1.00 17.67 H new HETATM 0 HBD1 HEM A 151 4.298 36.123 -0.601 1.00 19.60 H new HETATM 0 HBD2 HEM A 151 5.617 36.954 -0.635 1.00 19.60 H new HETATM 0 HAD1 HEM A 151 6.555 35.395 0.959 1.00 16.83 H new HETATM 0 HAD2 HEM A 151 5.274 34.522 0.788 1.00 16.83 H new HETATM 0 HHA HEM A 151 8.624 35.689 0.232 1.00 13.20 H new HETATM 0 HHB HEM A 151 13.630 35.787 -3.322 1.00 10.88 H new HETATM 0 HHC HEM A 151 11.121 31.525 -6.992 1.00 11.62 H new HETATM 0 HHD HEM A 151 5.910 31.800 -3.721 1.00 11.36 H new HETATM 0 HAB HEM A 151 13.546 31.405 -7.382 1.00 10.92 H new HETATM 0 HAC HEM A 151 5.144 31.146 -5.962 1.00 14.46 H new HETATM 2407 O HOH A 152 24.343 27.663 -18.529 1.00 18.63 O HETATM 2408 O HOH A 153 23.056 34.729 -1.640 1.00 8.17 O HETATM 2409 O HOH A 154 17.852 34.582 3.609 1.00 23.98 O HETATM 2410 O HOH A 155 21.353 43.621 -18.869 0.83 14.03 O HETATM 2411 O HOH A 156 23.714 48.632 -10.314 1.00 19.56 O HETATM 2412 O HOH A 157 3.894 52.140 -3.364 0.99 13.89 O HETATM 2413 O HOH A 158 26.480 44.183 -10.924 0.94 22.60 O HETATM 2414 O HOH A 159 20.251 35.728 -1.707 0.93 13.83 O HETATM 2415 O HOH A 160 -10.188 41.554 -12.504 1.00 28.14 O HETATM 2416 O HOH A 161 20.962 33.949 -19.235 0.59 15.77 O HETATM 2417 O HOH A 162 21.134 43.223 -2.318 1.00 18.49 O HETATM 2418 O HOH A 163 13.157 26.661 -17.058 0.99 40.42 O HETATM 2419 O HOH A 164 3.850 48.233 -9.772 1.00 22.06 O HETATM 2420 O HOH A 165 13.803 51.760 -10.245 0.82 30.89 O HETATM 2421 O HOH A 166 32.107 43.716 -14.900 0.68 23.07 O HETATM 2422 O HOH A 167 18.007 44.303 -21.149 0.58 29.01 O HETATM 2423 O HOH A 168 27.362 28.090 4.254 1.00 13.14 O HETATM 2424 O HOH A 169 12.799 24.782 -9.914 1.00 17.17 O HETATM 2425 O HOH A 170 15.591 32.015 -20.163 0.60 31.44 O HETATM 2426 O HOH A 171 24.961 36.636 0.147 0.70 20.44 O HETATM 2427 O HOH A 172 14.503 24.390 -18.002 0.87 31.85 O HETATM 2428 O HOH A 173 27.533 19.925 -13.714 1.00 28.11 O HETATM 2429 O HOH A 174 20.984 22.559 2.994 0.97 32.92 O HETATM 2430 O HOH A 175 4.703 36.241 -20.601 1.00 34.84 O HETATM 2431 O HOH A 176 18.670 20.993 -3.817 0.77 15.09 O HETATM 2432 O HOH A 177 18.602 32.764 -20.632 1.00 18.73 O HETATM 2433 O HOH A 178 -3.450 47.075 -9.814 0.82 13.10 O HETATM 2434 O HOH A 179 16.436 20.367 -13.748 0.96 34.19 O HETATM 2435 O HOH A 180 36.196 30.345 -20.493 0.36 35.17 O HETATM 2436 O HOH A 181 20.499 44.943 -0.605 1.00 38.20 O HETATM 2437 O HOH A 182 1.014 27.627 -18.047 0.96 13.97 O HETATM 2438 O HOH A 183 26.753 24.132 -7.288 1.00 41.87 O HETATM 2439 O HOH A 184 2.970 27.314 6.692 1.00 34.03 O HETATM 2440 O HOH A 185 33.696 30.939 -20.410 0.83 29.88 O HETATM 2441 O HOH A 186 19.265 49.617 -6.246 0.69 34.05 O HETATM 2442 O HOH A 187 31.995 37.938 -4.130 0.83 20.23 O HETATM 2443 O HOH A 188 22.344 25.900 -16.752 1.00 30.49 O HETATM 2444 O HOH A 189 22.692 29.249 -22.914 1.00 31.70 O HETATM 2445 O HOH A 190 28.190 35.312 -18.340 0.54 10.09 O HETATM 2446 O HOH A 191 7.594 50.024 -11.726 0.88 25.32 O HETATM 2447 O HOH A 192 -3.830 44.009 -19.234 0.49 16.42 O HETATM 2448 O HOH A 193 1.442 30.427 -0.856 0.81 26.69 O HETATM 2449 O HOH A 194 24.409 27.668 -25.553 1.00 36.98 O HETATM 2450 O HOH A 195 -1.676 49.557 -5.991 0.71 20.23 O HETATM 2451 O HOH A 196 26.798 36.585 6.711 0.58 29.05 O HETATM 2452 O HOH A 197 8.400 55.382 -6.327 1.00 24.93 O HETATM 2453 O HOH A 198 16.367 26.377 6.492 0.76 31.31 O HETATM 2454 O HOH A 199 7.868 31.497 -18.838 0.77 9.10 O HETATM 2455 O HOH A 200 18.086 39.710 -22.673 0.42 11.49 O HETATM 2456 O HOH A 201 4.185 32.231 6.695 0.96 33.19 O HETATM 2457 O HOH A 202 18.042 29.713 8.270 0.96 18.09 O HETATM 2458 O HOH A 203 29.752 16.613 -10.316 0.56 17.46 O HETATM 2459 O HOH A 204 18.254 23.897 3.294 0.34 12.73 O HETATM 2460 O HOH A 205 15.664 19.087 -1.294 0.83 36.04 O HETATM 2461 O HOH A 206 28.286 33.553 -22.048 0.90 35.57 O HETATM 2462 O HOH A 207 4.585 41.897 2.519 1.00 42.11 O HETATM 2463 O HOH A 208 13.043 38.731 1.943 0.73 25.55 O HETATM 2464 O HOH A 209 -5.106 41.316 -1.987 0.35 15.54 O HETATM 2465 O HOH A 210 20.749 17.882 -7.083 0.76 35.34 O HETATM 2466 O HOH A 211 25.197 45.143 -7.296 0.85 21.67 O HETATM 2467 O HOH A 212 0.320 24.910 -9.512 0.59 27.51 O HETATM 2468 O HOH A 213 19.290 36.938 -0.133 0.74 16.69 O HETATM 2469 O HOH A 214 35.873 39.352 -19.726 0.66 25.95 O HETATM 2470 O HOH A 215 -7.572 45.207 -9.240 0.54 31.87 O HETATM 2471 O HOH A 216 31.116 42.469 -19.701 0.58 14.22 O HETATM 2472 O HOH A 217 28.767 28.387 7.942 0.69 31.44 O HETATM 2473 O HOH A 218 10.062 46.338 -8.274 1.00 33.11 O HETATM 2474 O HOH A 219 21.680 29.052 6.263 0.72 15.43 O HETATM 2475 O HOH A 220 14.717 38.597 -23.695 0.89 41.40 O HETATM 2476 O HOH A 221 -8.930 36.953 -9.430 0.46 13.84 O HETATM 2477 O HOH A 222 -0.889 24.868 -7.169 0.61 33.30 O HETATM 2478 O HOH A 223 -4.014 34.362 -6.455 0.94 46.59 O HETATM 2479 O HOH A 224 27.642 22.989 -15.369 0.69 15.24 O HETATM 2480 O HOH A 225 31.754 28.759 9.514 0.78 31.35 O HETATM 2481 O HOH A 226 1.964 34.684 1.787 0.94 39.83 O HETATM 2482 O HOH A 227 -4.048 26.760 -10.593 0.79 31.75 O HETATM 2483 O HOH A 228 1.088 28.260 -15.640 1.00 31.52 O HETATM 2484 O HOH A 229 15.520 40.348 -0.377 0.90 20.58 O HETATM 2485 O HOH A 230 0.011 27.852 2.929 0.82 31.59 O HETATM 2486 O HOH A 231 -4.419 47.738 -6.731 1.00 35.51 O HETATM 2487 O HOH A 232 4.071 50.853 -13.435 0.63 18.33 O HETATM 2488 O HOH A 233 10.364 30.796 -17.729 0.43 7.65 O HETATM 2489 O HOH A 234 10.893 29.311 7.648 0.40 12.41 O HETATM 2490 O HOH A 235 -4.669 29.025 -10.490 0.81 31.45 O HETATM 2491 O HOH A 236 -1.920 32.756 -19.077 0.61 24.03 O HETATM 2492 O HOH A 237 7.681 48.099 -15.141 0.63 27.93 O HETATM 2493 O HOH A 238 11.832 20.987 -10.858 0.68 19.62 O HETATM 2494 O HOH A 239 32.168 40.557 -20.799 0.58 34.01 O HETATM 2495 O HOH A 240 15.460 33.351 9.504 0.83 26.33 O HETATM 2496 O HOH A 241 18.799 37.475 3.250 0.47 17.80 O HETATM 2497 O HOH A 242 20.734 20.535 -1.911 0.50 14.88 O HETATM 2498 O HOH A 243 -1.742 27.109 -8.150 0.56 18.11 O HETATM 2499 O HOH A 244 -5.748 47.742 -10.943 0.78 38.72 O HETATM 2500 O HOH A 245 25.971 39.641 0.294 0.49 18.75 O HETATM 2501 O HOH A 246 25.619 46.142 -10.025 0.83 26.89 O HETATM 2502 O HOH A 247 -7.236 26.425 -8.965 0.79 32.72 O HETATM 2503 O HOH A 248 10.311 19.443 -11.569 0.60 26.45 O HETATM 2504 O HOH A 249 34.486 30.867 2.464 1.00 40.50 O HETATM 2505 O HOH A 250 8.034 28.193 -19.413 0.66 21.49 O HETATM 2506 O HOH A 251 16.627 29.997 11.517 1.00 21.12 O HETATM 2507 O HOH A 252 1.773 37.128 -1.384 0.60 24.47 O HETATM 2508 O HOH A 253 3.327 39.190 -1.488 0.52 21.73 O HETATM 2509 O HOH A 254 24.089 42.684 -1.877 0.51 19.71 O HETATM 2510 O HOH A 255 2.491 44.357 -0.217 0.75 27.42 O HETATM 2511 O HOH A 256 30.927 41.135 -5.084 0.79 33.71 O HETATM 2512 O HOH A 257 17.248 51.110 -3.634 0.97 37.92 O HETATM 2513 O HOH A 258 18.771 42.175 -21.326 0.78 29.58 O HETATM 2514 O HOH A 259 5.775 23.094 -0.648 1.00 39.39 O HETATM 2515 O HOH A 260 -7.057 26.863 -11.629 0.57 18.86 O HETATM 2516 O HOH A 261 36.083 28.803 3.642 0.57 21.45 O HETATM 2517 O HOH A 262 15.820 27.805 -19.285 0.54 32.74 O HETATM 2518 O HOH A 263 22.233 47.841 -2.208 0.86 30.76 O HETATM 2519 O HOH A 264 -5.334 32.467 -15.840 0.51 16.96 O HETATM 2520 O HOH A 265 32.023 35.534 3.823 0.44 9.55 O HETATM 2521 O HOH A 266 -3.803 46.082 -22.868 0.47 17.32 O HETATM 2522 O HOH A 267 14.923 43.176 0.453 0.79 24.17 O HETATM 2523 O HOH A 268 13.644 31.536 -22.172 0.82 32.95 O HETATM 2524 O HOH A 269 10.589 28.316 -18.488 0.52 12.90 O HETATM 2525 O HOH A 270 3.848 24.364 -14.954 0.49 22.47 O HETATM 2526 O HOH A 271 23.244 37.092 6.562 0.53 22.78 O HETATM 2527 O HOH A 272 19.605 27.733 7.197 0.84 31.52 O HETATM 2528 O HOH A 273 22.687 43.826 -20.791 0.74 17.99 O HETATM 2529 O HOH A 274 35.107 34.172 2.674 0.69 29.59 O HETATM 2530 O HOH A 275 -7.043 36.959 -8.582 0.55 20.10 O HETATM 2531 O HOH A 276 10.595 54.752 -3.197 0.83 33.85 O HETATM 2532 O HOH A 277 12.083 31.011 -20.466 0.37 15.64 O HETATM 2533 O HOH A 278 35.124 30.476 -4.795 0.76 27.66 O HETATM 2534 O HOH A 279 27.155 41.722 0.356 0.56 28.62 O HETATM 2535 O HOH A 280 -9.549 42.164 -7.775 0.70 30.04 O HETATM 2536 O HOH A 281 22.488 27.013 -21.067 0.44 16.65 O HETATM 2537 O HOH A 282 -5.152 30.872 -1.953 0.64 34.37 O HETATM 2538 O HOH A 283 -2.501 44.928 -5.890 0.52 13.05 O HETATM 2539 O HOH A 284 0.764 32.271 6.730 0.68 36.00 O HETATM 2540 O HOH A 285 0.730 23.111 -8.753 0.65 19.99 O HETATM 2541 O HOH A 286 21.759 50.475 -7.703 0.46 11.46 O HETATM 2542 O HOH A 287 6.140 49.619 -13.947 0.50 19.76 O HETATM 2543 O HOH A 288 3.897 50.324 -8.656 0.73 35.98 O HETATM 2544 O HOH A 289 -3.240 39.853 -19.080 0.72 30.85 O HETATM 2545 O HOH A 290 19.332 52.309 -8.069 0.43 20.44 O HETATM 2546 O HOH A 291 10.731 20.482 -14.422 0.81 33.80 O HETATM 2547 O HOH A 292 -1.125 45.970 0.826 0.45 7.38 O HETATM 2548 O HOH A 293 -2.899 35.956 -6.802 0.59 24.78 O HETATM 2549 O HOH A 294 18.097 44.305 -23.647 0.31 21.56 O HETATM 2550 O HOH A 295 23.835 45.549 -19.292 0.56 29.01 O HETATM 2551 O HOH A 296 5.524 48.547 -20.219 0.62 21.16 O HETATM 2552 O HOH A 297 -4.150 32.770 -11.546 0.90 30.88 O HETATM 2553 O HOH A 298 -5.062 34.350 -9.444 0.85 33.69 O HETATM 2554 O HOH A 299 -5.479 29.613 -14.218 0.80 31.57 O HETATM 2555 O HOH A 300 16.894 23.280 6.841 0.59 21.75 O HETATM 2556 O HOH A 301 16.755 37.416 2.115 0.47 31.58 O HETATM 2557 O HOH A 302 -2.562 47.666 -2.728 0.45 16.38 O HETATM 2558 O HOH A 303 31.220 14.097 -10.749 0.48 22.40 O HETATM 2559 O HOH A 304 22.458 41.261 2.740 0.80 39.82 O HETATM 2560 O HOH A 305 -4.013 28.440 -3.131 0.39 10.68 O HETATM 2561 O HOH A 306 9.137 43.752 4.201 0.69 36.00 O HETATM 2562 O HOH A 307 2.660 32.432 9.311 0.86 26.86 O HETATM 2563 O HOH A 308 -5.922 32.471 -6.323 0.54 26.85 O HETATM 2564 O HOH A 309 -9.205 29.810 -9.117 0.81 37.75 O HETATM 2565 O HOH A 310 -7.346 38.507 -18.124 0.91 28.28 O HETATM 2566 O HOH A 311 25.570 40.579 4.629 0.70 21.91 O HETATM 2567 O HOH A 312 29.716 14.871 -8.974 0.76 26.33 O HETATM 2568 O HOH A 313 -1.257 27.867 -2.205 0.58 34.70 O HETATM 2569 O HOH A 314 18.166 40.765 -0.225 0.34 14.49 O HETATM 2570 O HOH A 315 36.737 28.707 -10.848 0.44 24.86 O HETATM 2571 O HOH A 316 21.818 42.698 -21.988 0.58 22.14 O HETATM 2572 O HOH A 317 32.890 38.198 -1.328 0.59 23.49 O HETATM 2573 O HOH A 318 18.352 38.652 1.594 0.47 25.67 O HETATM 2574 O HOH A 319 25.758 49.562 -11.063 0.32 20.71 O HETATM 2575 O HOH A 320 -2.940 37.703 -13.883 0.39 8.52 O HETATM 2576 O HOH A 321 5.327 45.306 -17.566 0.36 18.37 O HETATM 2577 O HOH A 322 -4.086 34.456 -18.037 0.70 22.95 O HETATM 2578 O HOH A 323 -5.342 41.482 -22.439 0.69 40.98 O HETATM 2579 O HOH A 324 16.946 18.916 -6.288 0.43 12.97 O HETATM 2580 O HOH A 325 -3.411 52.691 -6.873 0.48 19.55 O HETATM 2581 O HOH A 326 14.152 36.678 3.695 0.47 19.64 O HETATM 2582 O HOH A 327 4.039 47.119 -20.002 0.30 17.68 O HETATM 2583 O HOH A 328 -9.882 46.300 -9.950 0.81 41.71 O HETATM 2584 O HOH A 329 7.473 38.083 2.281 0.64 15.61 O HETATM 2585 O HOH A 330 -5.622 35.954 0.528 1.00 33.90 O HETATM 2586 O HOH A 331 25.512 45.130 -3.274 0.75 27.98 O HETATM 2587 O HOH A 332 30.690 44.645 -20.747 1.00 34.63 O HETATM 2588 O HOH A 333 -4.295 30.026 1.064 0.59 27.08 O HETATM 2589 O HOH A 334 20.205 42.489 3.433 0.67 21.92 O HETATM 2590 O HOH A 335 -2.465 35.870 -14.638 0.89 29.28 O HETATM 2591 O HOH A 336 33.557 15.636 -11.664 0.69 19.90 O HETATM 2592 O HOH A 337 21.156 44.780 -23.105 0.74 27.56 O HETATM 2593 O HOH A 338 38.296 31.479 -14.603 0.46 13.14 O HETATM 2594 O HOH A 339 5.491 42.710 -19.450 0.78 38.03 O HETATM 2595 O HOH A 340 25.945 46.617 -18.926 1.00 40.51 O HETATM 2596 O HOH A 341 22.614 39.505 -24.307 0.85 39.48 O HETATM 2597 O HOH A 342 -4.728 36.544 -18.306 0.70 18.42 O HETATM 2598 O HOH A 343 31.631 45.980 -15.806 0.69 18.45 O HETATM 2599 O HOH A 344 26.790 47.460 -16.158 0.39 22.88 O HETATM 2600 O HOH A 345 9.278 39.079 5.358 0.40 20.23 O HETATM 2601 O HOH A 346 29.652 47.194 -14.561 0.33 21.93 O HETATM 2602 O HOH A 347 37.324 32.847 -19.034 0.40 18.10 O HETATM 2603 O HOH A 348 31.838 28.789 -9.111 1.00 37.98 O HETATM 2604 O HOH A 349 4.486 40.700 -20.212 0.38 19.15 O HETATM 2605 O HOH A 350 18.977 20.451 -5.349 0.43 18.34 O HETATM 2606 O HOH A 351 10.767 27.326 9.342 0.59 32.03 O HETATM 2607 O HOH A 352 30.948 39.146 -7.043 1.00 35.49 O HETATM 2608 O HOH A 353 36.693 31.775 -10.378 0.31 18.71 O HETATM 2609 O HOH A 354 -0.528 32.799 3.434 0.94 29.52 O HETATM 2610 O HOH A 355 -4.153 33.953 -13.843 0.69 26.30 O HETATM 2611 O HOH A 356 23.871 52.542 -10.763 0.93 33.87 O HETATM 2612 O HOH A 357 30.105 38.582 0.800 0.31 16.16 O HETATM 2613 O HOH A 358 12.157 38.427 -19.008 0.41 12.31 O HETATM 2614 O HOH A 359 28.201 42.635 -7.385 0.73 20.05 O HETATM 2615 O HOH A 360 27.822 44.928 -2.093 0.85 35.37 O HETATM 2616 O HOH A 361 16.584 15.999 -13.477 0.43 18.66 O HETATM 2617 O HOH A 362 31.742 26.502 -18.218 0.53 19.95 O HETATM 2618 O HOH A 363 30.217 35.260 5.546 0.77 29.77 O HETATM 2619 O HOH A 364 7.514 39.464 0.246 0.82 29.41 O HETATM 2620 O HOH A 365 10.544 49.161 -4.989 1.00 35.13 O HETATM 2621 O HOH A 366 -2.385 34.300 -16.714 0.83 30.35 O CONECT 1663 2406 CONECT 2362 2363 2406 CONECT 2363 2362 2406 CONECT 2364 2368 2395 CONECT 2365 2371 2378 CONECT 2366 2381 2385 CONECT 2367 2388 2392 CONECT 2368 2364 2369 2402 CONECT 2369 2368 2370 2373 CONECT 2370 2369 2371 2372 CONECT 2371 2365 2370 2402 CONECT 2372 2370 CONECT 2373 2369 2374 CONECT 2374 2373 2375 CONECT 2375 2374 2376 2377 CONECT 2376 2375 CONECT 2377 2375 CONECT 2378 2365 2379 2403 CONECT 2379 2378 2380 2382 CONECT 2380 2379 2381 2383 CONECT 2381 2366 2380 2403 CONECT 2382 2379 CONECT 2383 2380 2384 CONECT 2384 2383 CONECT 2385 2366 2386 2404 CONECT 2386 2385 2387 2389 CONECT 2387 2386 2388 2390 CONECT 2388 2367 2387 2404 CONECT 2389 2386 CONECT 2390 2387 2391 CONECT 2391 2390 CONECT 2392 2367 2393 2405 CONECT 2393 2392 2394 2396 CONECT 2394 2393 2395 2397 CONECT 2395 2364 2394 2405 CONECT 2396 2393 CONECT 2397 2394 2398 CONECT 2398 2397 2399 CONECT 2399 2398 2400 2401 CONECT 2400 2399 CONECT 2401 2399 CONECT 2402 2368 2371 2406 CONECT 2403 2378 2381 2406 CONECT 2404 2385 2388 2406 CONECT 2405 2392 2395 2406 CONECT 2406 1663 2362 2363 2402 CONECT 2406 2403 2404 2405 END